| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.4 | Very low | 80.7 | Confident | 213 Ų | 213 | 58.7 Ų | 58.7 | 100% | 1.049 | 30% | 0.304 | S | S | * | . | 0 | 111.1 | 0 | -81.2 | -179.3 | 167.9 | 0 | 0 | 108.2 | A3 | M1-A3 PolarHBondContact O-N 3.22Š| |||
| 2 | L | 67.4 | Low | 80.1 | Confident | 129 Ų | 129 | 66.5 Ų | 66.5 | 68% | 0.675 | 35% | 0.346 | S | S | * | . | trans | -71.8 | 110 | 176.3 | -71.2 | 158.6 | 0 | 0 | 0 | 107.6 | K23 | L2-K23 HydrophobicContact CB-CD 3.71Å; L2-K23 HydrophobicContact CB-CG 4.26Å; L2-K23 WeakPolarHBondContact O-CG 3.4Å; L2-K23 PolarHBondContact O-N 2.92Å; L2-K23 VanDerWaalsContact O-N 3.11Å | ||
| 3 | A | 78.4 | Confident | 79.8 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 152.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M1 K20 F21 | M1-A3 PolarHBondContact O-N 3.22Å; A3-K20 HydrophobicContact CB-CD 4.25Å; A3-K20 HydrophobicContact CB-CG 3.94Å; A3-F21 CarbonylContact C-O 3.45Å; A3-F21 WeakPolarHBondContact CA-O 3.39Å; A3-F21 WeakPolarHBondContact CB-O 3.39Å |
| 4 | V | 84.1 | Confident | 79.7 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.024 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.2 | 171 | 175 | 0 | 0 | 0 | 0 | 108.4 | L6 F21 K23 D77 | V4-L6 HydrophobicContact CG1-CD2 3.81Å; V4-L6 HydrophobicContact CG1-CG 4.12Å; V4-F21 PolarHBondContact N-O 3.1Å; V4-F21 PolarHBondContact O-N 3.49Å; V4-K23 HydrophobicContact CG2-CD 3.96Å; V4-K23 HydrophobicContact CG2-CG 3.5Å; V4-K23 VanDerWaalsContact CG2-CG 3.5Å; V4-D77 VanDerWaalsContact CA-OD1 3.31Å; V4-D77 WeakPolarHBondContact CA-OD1 3.22Å |
| 5 | N | 87.7 | Confident | 80 | Confident | 50 Ų | 50 | 65 Ų | 65 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121.6 | 168.5 | -68 | -25 | 0 | 0 | 0 | 108.9 | K20 D77 N78 | N5-K20 WeakPolarHBondContact OD1-CB 3.28Å; N5-K20 WeakPolarHBondContact OD1-CD 3.39Å; N5-K20 VanDerWaalsContact OD1-CG 3.23Å; N5-K20 WeakPolarHBondContact OD1-CG 3.42Å; N5-D77 PolarHBondContact N-OD1 3.16Å; N5-D77 VanDerWaalsContact N-OD1 3.13Å; N5-N78 WeakPolarHBondContact CB-OD1 3.11Å; N5-N78 WeakPolarHBondContact O-CA 3.4Å; N5-N78 PolarHBondContact O-N 3.32Å |
| 6 | L | 88.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 140.2 | 174.1 | -65.5 | 177.9 | 0 | 0 | 0 | 110.2 | V4 L19 F21 L30 L70 F75 F79 | V4-L6 HydrophobicContact CG1-CD2 3.81Å; V4-L6 HydrophobicContact CG1-CG 4.12Å; L6-L19 PolarHBondContact N-O 2.98Å; L6-L19 PolarHBondContact O-N 3.22Å; L6-F21 HydrophobicContact CB-CD2 4.14Å; L6-F21 HydrophobicContact CB-CE2 4.12Å; L6-F21 HydrophobicContact CD1-CD2 3.92Å; L6-F21 HydrophobicContact CD1-CE2 4.26Å; L6-F21 HydrophobicContact CG-CD2 4.17Å; L6-L30 HydrophobicContact CD1-CD2 4.27Å; L6-L70 HydrophobicContact CD1-CD1 4.05Å; L6-L70 HydrophobicContact CD1-CD2 3.8Å; L6-F75 HydrophobicContact CD2-CB 4.13Å; L6-F75 HydrophobicContact CD2-CD2 4.38Å; L6-F75 HydrophobicContact CD2-CG 4.4Å; L6-F79 HydrophobicContact CD2-CB 4.24Å |
| 7 | L | 90 | Very high | 80.8 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 110.6 | 172.1 | -68.8 | 176.6 | 0 | 0 | 0 | 108.7 | N78 F79 E80 V81 | L7-N78 HydrophobicContact CD1-CB 4.26Å; L7-N78 WeakPolarHBondContact CD1-O 3.48Å; L7-N78 HydrophobicContact CG-CB 4.44Å; L7-F79 PolarHBondContact N-O 3.22Å; L7-E80 HydrophobicContact CB-CB 4.42Å; L7-E80 HydrophobicContact CB-CG 4.48Å; L7-E80 WeakPolarHBondContact O-CA 3.47Å; L7-V81 PolarHBondContact O-N 3.2Å |
| 8 | I | 89.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 109.5 | -176.4 | -54.7 | -174.3 | 0 | 0 | 0 | 109.2 | F10 C16 Y17 L19 F21 V34 V81 | I8-F10 HydrophobicContact CG2-CE2 3.92Å; I8-F10 HydrophobicContact CG2-CZ 4.46Å; I8-C16 WeakPolarHBondContact O-CA 3.45Å; I8-Y17 PolarHBondContact N-O 3.14Å; I8-Y17 PolarHBondContact O-N 2.99Å; I8-L19 HydrophobicContact CD1-CD1 4.11Å; I8-F21 HydrophobicContact CD1-CE2 3.92Å; I8-F21 HydrophobicContact CD1-CZ 3.9Å; I8-V34 HydrophobicContact CD1-CG1 4.47Å; I8-V34 HydrophobicContact CD1-CG2 3.27Å; I8-V34 HydrophobicContact CG2-CG1 4.46Å; I8-V81 WeakPolarHBondContact CA-O 3.3Å; I8-V81 HydrophobicContact CG1-CG2 3.95Å |
| 9 | R | 89.2 | Confident | 81.6 | Confident | 100 Ų | 100 | 63.9 Ų | 63.9 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.7 | 178.6 | -172.8 | 179.5 | -69.3 | -167.1 | 10.6 | 111 | N15 E80 V81 Q82 Y83 | R9-N15 WeakPolarHBondContact CA-O 3.34Å; R9-E80 WeakPolarHBondContact CD-OE1 3.22Å; R9-E80 IonicContact CZ-OE1 3.2Å; R9-E80 IonicContact CZ-OE2 3.14Å; R9-E80 IonicContact NE-OE1 3.64Å; R9-E80 PolarHBondContact NE-OE1 3.09Å; R9-E80 IonicContact NE-OE2 2.7Å; R9-E80 IonicContact NH1-OE1 2.66Å; R9-E80 IonicContact NH2-OE1 3.61Å; R9-E80 PolarHBondContact NH2-OE1 3.18Å; R9-E80 IonicContact NH2-OE2 2.71Å; R9-E80 PolarHBondContact NH2-OE2 3.11Å; R9-V81 PolarHBondContact N-O 2.82Å; R9-Q82 HydrophobicContact CB-CG 4.43Å; R9-Q82 WeakPolarHBondContact O-CA 3.49Å; R9-Y83 PolarHBondContact O-N 2.95Å |
| 10 | F | 86.8 | Confident | 81.9 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 4% | 0.039 | 37% | 0.372 | C | S | . | . | trans | -99.2 | 110.2 | 171.3 | -73.6 | -99.9 | 0 | 0 | 0 | 108.9 | I8 N12 S13 G14 N15 Y17 V34 I38 A41 Y83 | I8-F10 HydrophobicContact CG2-CE2 3.92Å; I8-F10 HydrophobicContact CG2-CZ 4.46Å; F10-N12 VanDerWaalsContact C-N 3.27Å; F10-N12 PolarHBondContact O-N 2.8Å; F10-S13 WeakPolarHBondContact CB-OG 3.09Å; F10-S13 PolarHBondContact O-N 2.99Å; F10-G14 WeakPolarHBondContact O-CA 3.37Å; F10-G14 PolarHBondContact O-N 3.19Å; F10-N15 PolarHBondContact N-O 3.41Å; F10-Y17 AromaticContact CD2-CD2 3.72Å; F10-Y17 HydrophobicContact CD2-CD2 3.72Å; F10-Y17 AromaticContact CD2-CE2 3.88Å; F10-Y17 HydrophobicContact CD2-CE2 3.88Å; F10-Y17 AromaticContact CE2-CD2 3.68Å; F10-Y17 HydrophobicContact CE2-CD2 3.68Å; F10-Y17 HydrophobicContact CE2-CE2 4.05Å; F10-V34 HydrophobicContact CZ-CG1 4.07Å; F10-I38 HydrophobicContact CE2-CD1 3.54Å; F10-I38 HydrophobicContact CE2-CG2 3.93Å; F10-I38 HydrophobicContact CZ-CB 4.3Å; F10-I38 HydrophobicContact CZ-CD1 3.84Å; F10-I38 HydrophobicContact CZ-CG2 3.86Å; F10-A41 HydrophobicContact CE1-CB 3.88Å; F10-A41 HydrophobicContact CZ-CB 3.9Å; F10-Y83 HydrophobicContact CD1-CD1 4.1Å; F10-Y83 AromaticContact CE1-CD1 3.4Å; F10-Y83 HydrophobicContact CE1-CD1 3.4Å; F10-Y83 HydrophobicContact CE1-CE1 4.15Å; F10-Y83 HydrophobicContact CE1-CG 4.07Å; F10-Y83 AromaticContact CZ-CD1 3.95Å; F10-Y83 HydrophobicContact CZ-CD1 3.95Å; F10-Y83 HydrophobicContact CZ-CG 4.24Å | ||
| 11 | P | 77.8 | Confident | 82.1 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 38% | 0.377 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -28 | -173.2 | 21.3 | -29.7 | 0 | 0 | 0 | 113.5 | Y83 R84 | P11-Y83 WeakPolarHBondContact CD-O 3.41Å; P11-R84 HydrophobicContact CG-CB 4.16Å; P11-R84 HydrophobicContact CG-CG 4.18Å |
| 12 | N | 74.1 | Confident | 83.9 | Confident | 152 Ų | 152 | 57.5 Ų | 57.5 | 81% | 0.813 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -33 | -178.9 | -67.4 | -7.3 | 0 | 0 | 0 | 113.4 | F10 | F10-N12 VanDerWaalsContact C-N 3.27Å; F10-N12 PolarHBondContact O-N 2.8Å |
| 13 | S | 76.3 | Confident | 84.6 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -16.1 | -178.8 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | F10 N15 E40 | F10-S13 WeakPolarHBondContact CB-OG 3.09Å; F10-S13 PolarHBondContact O-N 2.99Å; S13-N15 PolarHBondContact O-N 3.02Å; S13-N15 PolarHBondContact OG-N 3.21Å; S13-E40 WeakPolarHBondContact CB-OE2 3.46Å; S13-E40 PolarHBondContact OG-OE2 2.94Å |
| 14 | G | 77.9 | Confident | 84.9 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | trans | 71.9 | -1.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F10 | F10-G14 WeakPolarHBondContact O-CA 3.37Å; F10-G14 PolarHBondContact O-N 3.19Å | ||
| 15 | N | 85 | Confident | 85.1 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | trans | -75.8 | 140.7 | -176.2 | -68.4 | -22.7 | 0 | 0 | 0 | 111.1 | R9 F10 S13 Y17 E40 | R9-N15 WeakPolarHBondContact CA-O 3.34Å; F10-N15 PolarHBondContact N-O 3.41Å; S13-N15 PolarHBondContact O-N 3.02Å; S13-N15 PolarHBondContact OG-N 3.21Å; N15-Y17 HydrophobicContact CB-CD2 4.47Å; N15-Y17 HydrophobicContact CB-CE2 3.69Å; N15-E40 PolarHBondContact ND2-OE1 3.06Å | ||
| 16 | C | 86.1 | Confident | 85.2 | Confident | 64 Ų | 64 | 58.6 Ų | 58.6 | 43% | 0.432 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.4 | 178.2 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | I8 | I8-C16 WeakPolarHBondContact O-CA 3.45Å |
| 17 | Y | 87.1 | Confident | 85.2 | Confident | 78 Ų | 78 | 58.5 Ų | 58.5 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.7 | -177.8 | -63.6 | -86 | 0 | 0 | 0 | 109.7 | I8 F10 N15 I38 E40 | I8-Y17 PolarHBondContact N-O 3.14Å; I8-Y17 PolarHBondContact O-N 2.99Å; F10-Y17 AromaticContact CD2-CD2 3.72Å; F10-Y17 HydrophobicContact CD2-CD2 3.72Å; F10-Y17 AromaticContact CD2-CE2 3.88Å; F10-Y17 HydrophobicContact CD2-CE2 3.88Å; F10-Y17 AromaticContact CE2-CD2 3.68Å; F10-Y17 HydrophobicContact CE2-CD2 3.68Å; F10-Y17 HydrophobicContact CE2-CE2 4.05Å; N15-Y17 HydrophobicContact CB-CD2 4.47Å; N15-Y17 HydrophobicContact CB-CE2 3.69Å; Y17-I38 HydrophobicContact CD1-CD1 4.47Å; Y17-I38 HydrophobicContact CD2-CD1 3.75Å; Y17-I38 HydrophobicContact CD2-CG1 4.47Å; Y17-I38 HydrophobicContact CD2-CG2 3.97Å; Y17-I38 HydrophobicContact CE1-CG2 4.39Å; Y17-I38 HydrophobicContact CE2-CG2 3.67Å; Y17-I38 HydrophobicContact CG-CD1 3.71Å; Y17-I38 HydrophobicContact CG-CG1 4.28Å; Y17-I38 HydrophobicContact CG-CG2 4.44Å; Y17-E40 PolarHBondContact OH-OE1 3.44Å |
| 18 | S | 89.7 | Confident | 85.1 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 118.2 | 173 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 19 | L | 86.4 | Confident | 85.1 | Confident | 26 Ų | 26 | 66.2 Ų | 66.2 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.8 | 178.5 | -69.5 | -178.3 | 0 | 0 | 0 | 110.3 | L6 I8 F21 V34 K37 I38 | L6-L19 PolarHBondContact N-O 2.98Å; L6-L19 PolarHBondContact O-N 3.22Å; I8-L19 HydrophobicContact CD1-CD1 4.11Å; L19-F21 HydrophobicContact CB-CD2 4.32Å; L19-F21 HydrophobicContact CB-CE1 4.24Å; L19-F21 HydrophobicContact CB-CE2 3.37Å; L19-F21 HydrophobicContact CB-CZ 3.34Å; L19-F21 HydrophobicContact CD1-CZ 3.75Å; L19-F21 HydrophobicContact CG-CZ 4.2Å; L19-F21 WeakPolarHBondContact O-CD2 3.42Å; L19-F21 WeakPolarHBondContact O-CE2 3.47Å; L19-V34 HydrophobicContact CD1-CG2 4.35Å; L19-K37 HydrophobicContact CD1-CB 4.33Å; L19-K37 HydrophobicContact CD1-CD 4.25Å; L19-K37 HydrophobicContact CD2-CB 4.46Å; L19-K37 HydrophobicContact CD2-CD 3.87Å; L19-I38 HydrophobicContact CD1-CD1 3.96Å; L19-I38 HydrophobicContact CD1-CG1 4.23Å |
| 20 | K | 87.7 | Confident | 85 | Confident | 140 Ų | 140 | 61.5 Ų | 61.5 | 61% | 0.609 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.9 | 179.8 | -173.6 | 170 | -174.9 | 177.2 | 0 | 109.9 | A3 N5 | A3-K20 HydrophobicContact CB-CD 4.25Å; A3-K20 HydrophobicContact CB-CG 3.94Å; N5-K20 WeakPolarHBondContact OD1-CB 3.28Å; N5-K20 WeakPolarHBondContact OD1-CD 3.39Å; N5-K20 VanDerWaalsContact OD1-CG 3.23Å; N5-K20 WeakPolarHBondContact OD1-CG 3.42Å |
| 21 | F | 86.3 | Confident | 85 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 2% | 0.022 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.3 | -177.8 | -58.2 | -75 | 0 | 0 | 0 | 111.2 | A3 V4 L6 I8 L19 I25 L30 E33 V34 L70 | A3-F21 CarbonylContact C-O 3.45Å; A3-F21 WeakPolarHBondContact CA-O 3.39Å; A3-F21 WeakPolarHBondContact CB-O 3.39Å; V4-F21 PolarHBondContact N-O 3.1Å; V4-F21 PolarHBondContact O-N 3.49Å; L6-F21 HydrophobicContact CB-CD2 4.14Å; L6-F21 HydrophobicContact CB-CE2 4.12Å; L6-F21 HydrophobicContact CD1-CD2 3.92Å; L6-F21 HydrophobicContact CD1-CE2 4.26Å; L6-F21 HydrophobicContact CG-CD2 4.17Å; I8-F21 HydrophobicContact CD1-CE2 3.92Å; I8-F21 HydrophobicContact CD1-CZ 3.9Å; L19-F21 HydrophobicContact CB-CD2 4.32Å; L19-F21 HydrophobicContact CB-CE1 4.24Å; L19-F21 HydrophobicContact CB-CE2 3.37Å; L19-F21 HydrophobicContact CB-CZ 3.34Å; L19-F21 HydrophobicContact CD1-CZ 3.75Å; L19-F21 HydrophobicContact CG-CZ 4.2Å; L19-F21 WeakPolarHBondContact O-CD2 3.42Å; L19-F21 WeakPolarHBondContact O-CE2 3.47Å; F21-I25 HydrophobicContact CB-CG2 4.27Å; F21-I25 HydrophobicContact CD1-CD1 4.12Å; F21-L30 HydrophobicContact CB-CD1 4.33Å; F21-L30 HydrophobicContact CD1-CD1 3.32Å; F21-L30 HydrophobicContact CD2-CD1 3.58Å; F21-L30 HydrophobicContact CE1-CD1 3.28Å; F21-L30 HydrophobicContact CE2-CD1 3.53Å; F21-L30 HydrophobicContact CG-CD1 3.45Å; F21-L30 VanDerWaalsContact CG-CD1 3.45Å; F21-L30 HydrophobicContact CZ-CD1 3.37Å; F21-E33 WeakPolarHBondContact CD1-OE2 3.38Å; F21-E33 HydrophobicContact CE1-CB 4.2Å; F21-E33 HydrophobicContact CE1-CG 3.99Å; F21-V34 HydrophobicContact CZ-CG2 4.12Å; F21-L70 HydrophobicContact CB-CD2 4.45Å |
| 22 | T | 85.4 | Confident | 85.4 | Confident | 61 Ų | 61 | 64 Ų | 64 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 143.1 | 167.8 | 48.7 | 0 | 0 | 0 | 0 | 109.6 | D24 I25 | T22-D24 PolarHBondContact O-N 2.59Å; T22-D24 VanDerWaalsContact O-N 3.09Å; T22-I25 VanDerWaalsContact O-CG2 3.23Å; T22-I25 WeakPolarHBondContact O-CG2 3.45Å; T22-I25 PolarHBondContact O-N 2.79Å |
| 23 | K | 82 | Confident | 85.9 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 32% | 0.317 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.6 | 177.9 | -76.2 | -173.3 | -176.3 | -176 | 0 | 113.9 | L2 V4 S71 | L2-K23 HydrophobicContact CB-CD 3.71Å; L2-K23 HydrophobicContact CB-CG 4.26Å; L2-K23 WeakPolarHBondContact O-CG 3.4Å; L2-K23 PolarHBondContact O-N 2.92Å; L2-K23 VanDerWaalsContact O-N 3.11Å; V4-K23 HydrophobicContact CG2-CD 3.96Å; V4-K23 HydrophobicContact CG2-CG 3.5Å; V4-K23 VanDerWaalsContact CG2-CG 3.5Å; K23-S71 WeakPolarHBondContact O-CB 3.3Å; K23-S71 PolarHBondContact O-N 2.88Å; K23-S71 VanDerWaalsContact O-N 3.14Å |
| 24 | D | 84.9 | Confident | 86.4 | Confident | 109 Ų | 109 | 57 Ų | 57 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 1.8 | -176.8 | -52.4 | -36.7 | 0 | 0 | 0 | 113.5 | T22 M69 | T22-D24 PolarHBondContact O-N 2.59Å; T22-D24 VanDerWaalsContact O-N 3.09Å; D24-M69 HydrophobicContact CB-CE 3.79Å; D24-M69 WeakPolarHBondContact O-CE 3.4Å |
| 25 | I | 88.8 | Confident | 86.7 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | trans | -67.7 | 138.8 | 176.7 | -160.2 | 168.5 | 0 | 0 | 0 | 110.8 | F21 T22 D29 L30 E33 L70 | F21-I25 HydrophobicContact CB-CG2 4.27Å; F21-I25 HydrophobicContact CD1-CD1 4.12Å; T22-I25 VanDerWaalsContact O-CG2 3.23Å; T22-I25 WeakPolarHBondContact O-CG2 3.45Å; T22-I25 PolarHBondContact O-N 2.79Å; I25-D29 HydrophobicContact CD1-CB 4.21Å; I25-D29 HydrophobicContact CG1-CB 3.73Å; I25-L30 HydrophobicContact CD1-CB 4.25Å; I25-L30 HydrophobicContact CD1-CD1 4.48Å; I25-L30 HydrophobicContact CG1-CB 4.44Å; I25-L30 HydrophobicContact CG2-CB 4.31Å; I25-L30 HydrophobicContact CG2-CD1 4.4Å; I25-E33 WeakPolarHBondContact CD1-OE2 3.18Å; I25-L70 HydrophobicContact CG2-CB 3.99Å; I25-L70 HydrophobicContact CG2-CD2 4.14Å; I25-L70 PolarHBondContact O-N 2.85Å | ||
| 26 | T | 90.3 | Very high | 86.6 | Confident | 40 Ų | 40 | 57 Ų | 57 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 151.9 | 170 | 71.9 | 0 | 0 | 0 | 0 | 110 | Y28 D29 L30 | T26-Y28 PolarHBondContact O-N 3.35Å; T26-D29 PolarHBondContact O-N 3.5Å; T26-D29 WeakPolarHBondContact OG1-CB 3.43Å; T26-D29 PolarHBondContact OG1-N 3Å; T26-D29 VanDerWaalsContact OG1-N 3.07Å; T26-D29 PolarHBondContact OG1-OD2 3.43Å; T26-L30 VanDerWaalsContact O-CB 3.3Å; T26-L30 WeakPolarHBondContact O-CB 3.35Å; T26-L30 PolarHBondContact O-N 3.48Å |
| 27 | V | 88.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -31.8 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L30 C31 L64 D65 R68 Y73 | V27-L30 WeakPolarHBondContact O-CB 3.42Å; V27-L30 PolarHBondContact O-N 2.86Å; V27-C31 PolarHBondContact O-N 3.17Å; V27-C31 PolarHBondContact O-SG 3.43Å; V27-C31 VanDerWaalsContact O-SG 3.36Å; V27-L64 HydrophobicContact CG1-CB 3.7Å; V27-L64 HydrophobicContact CG2-CB 3.98Å; V27-L64 HydrophobicContact CG2-CD1 4.31Å; V27-D65 WeakPolarHBondContact CB-O 3.39Å; V27-D65 WeakPolarHBondContact CG2-O 3.3Å; V27-R68 WeakPolarHBondContact CG2-O 3.5Å; V27-R68 PolarHBondContact N-O 2.61Å; V27-Y73 HydrophobicContact CG2-CE2 4.13Å |
| 28 | Y | 87.7 | Confident | 86.3 | Confident | 133 Ų | 133 | 55.7 Ų | 55.7 | 52% | 0.522 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.1 | -51.3 | 172.6 | -179.6 | -97.3 | 0 | 0 | 0 | 112.4 | T26 L30 C31 H32 N66 | T26-Y28 PolarHBondContact O-N 3.35Å; Y28-L30 VanDerWaalsContact C-N 3.28Å; Y28-L30 PolarHBondContact O-N 2.83Å; Y28-C31 WeakPolarHBondContact O-CB 3.45Å; Y28-C31 PolarHBondContact O-N 3.2Å; Y28-H32 PolarHBondContact O-N 3.07Å; Y28-H32 VanDerWaalsContact O-N 3.11Å; Y28-N66 WeakPolarHBondContact CB-O 3.48Å; Y28-N66 PolarHBondContact N-O 2.66Å; Y28-N66 VanDerWaalsContact N-O 3.15Å |
| 29 | D | 88.7 | Confident | 85.7 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.8 | -35.5 | 178.6 | -62.1 | -37.7 | 0 | 0 | 0 | 111.3 | I25 T26 C31 H32 E33 | I25-D29 HydrophobicContact CD1-CB 4.21Å; I25-D29 HydrophobicContact CG1-CB 3.73Å; T26-D29 PolarHBondContact O-N 3.5Å; T26-D29 WeakPolarHBondContact OG1-CB 3.43Å; T26-D29 PolarHBondContact OG1-N 3Å; T26-D29 VanDerWaalsContact OG1-N 3.07Å; T26-D29 PolarHBondContact OG1-OD2 3.43Å; D29-C31 PolarHBondContact O-N 3.11Å; D29-H32 PolarHBondContact O-N 3.24Å; D29-E33 WeakPolarHBondContact O-CB 3.09Å; D29-E33 PolarHBondContact O-N 3.01Å |
| 30 | L | 87.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58 | -47.7 | 173.7 | -179.4 | 63.9 | 0 | 0 | 0 | 111 | L6 F21 I25 T26 V27 Y28 H32 E33 V34 I51 L70 | L6-L30 HydrophobicContact CD1-CD2 4.27Å; F21-L30 HydrophobicContact CB-CD1 4.33Å; F21-L30 HydrophobicContact CD1-CD1 3.32Å; F21-L30 HydrophobicContact CD2-CD1 3.58Å; F21-L30 HydrophobicContact CE1-CD1 3.28Å; F21-L30 HydrophobicContact CE2-CD1 3.53Å; F21-L30 HydrophobicContact CG-CD1 3.45Å; F21-L30 VanDerWaalsContact CG-CD1 3.45Å; F21-L30 HydrophobicContact CZ-CD1 3.37Å; I25-L30 HydrophobicContact CD1-CB 4.25Å; I25-L30 HydrophobicContact CD1-CD1 4.48Å; I25-L30 HydrophobicContact CG1-CB 4.44Å; I25-L30 HydrophobicContact CG2-CB 4.31Å; I25-L30 HydrophobicContact CG2-CD1 4.4Å; T26-L30 VanDerWaalsContact O-CB 3.3Å; T26-L30 WeakPolarHBondContact O-CB 3.35Å; T26-L30 PolarHBondContact O-N 3.48Å; V27-L30 WeakPolarHBondContact O-CB 3.42Å; V27-L30 PolarHBondContact O-N 2.86Å; Y28-L30 VanDerWaalsContact C-N 3.28Å; Y28-L30 PolarHBondContact O-N 2.83Å; L30-H32 VanDerWaalsContact C-N 3.33Å; L30-H32 PolarHBondContact O-N 3.15Å; L30-E33 PolarHBondContact O-N 2.98Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 2.96Å; L30-I51 HydrophobicContact CB-CD1 4.31Å; L30-I51 HydrophobicContact CD2-CD1 3.25Å; L30-I51 HydrophobicContact CG-CD1 3.52Å; L30-L70 HydrophobicContact CD2-CD1 3.96Å |
| 31 | C | 87 | Confident | 84.5 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 174.4 | -72.8 | 0 | 0 | 0 | 0 | 112.2 | V27 Y28 D29 V34 Q35 Y83 | V27-C31 PolarHBondContact O-N 3.17Å; V27-C31 PolarHBondContact O-SG 3.43Å; V27-C31 VanDerWaalsContact O-SG 3.36Å; Y28-C31 WeakPolarHBondContact O-CB 3.45Å; Y28-C31 PolarHBondContact O-N 3.2Å; D29-C31 PolarHBondContact O-N 3.11Å; C31-V34 PolarHBondContact O-N 3.33Å; C31-Q35 WeakPolarHBondContact O-CG 3.5Å; C31-Q35 PolarHBondContact O-N 3.28Å; C31-Y83 HydrophobicContact CB-CE2 4.44Å |
| 32 | H | 85.3 | Confident | 83.6 | Confident | 114 Ų | 114 | 61 Ų | 61 | 53% | 0.528 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 178.5 | -165.3 | -77.6 | 0 | 0 | 0 | 112.1 | Y28 D29 L30 Q35 S36 | Y28-H32 PolarHBondContact O-N 3.07Å; Y28-H32 VanDerWaalsContact O-N 3.11Å; D29-H32 PolarHBondContact O-N 3.24Å; L30-H32 VanDerWaalsContact C-N 3.33Å; L30-H32 PolarHBondContact O-N 3.15Å; H32-Q35 PolarHBondContact O-N 3.36Å; H32-S36 PolarHBondContact O-N 3.4Å |
| 33 | E | 85.6 | Confident | 82.5 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 176.5 | -168 | 171.9 | 177.7 | 0 | 0 | 111.9 | F21 I25 D29 L30 S36 K37 | F21-E33 WeakPolarHBondContact CD1-OE2 3.38Å; F21-E33 HydrophobicContact CE1-CB 4.2Å; F21-E33 HydrophobicContact CE1-CG 3.99Å; I25-E33 WeakPolarHBondContact CD1-OE2 3.18Å; D29-E33 WeakPolarHBondContact O-CB 3.09Å; D29-E33 PolarHBondContact O-N 3.01Å; L30-E33 PolarHBondContact O-N 2.98Å; E33-S36 PolarHBondContact O-N 3.32Å; E33-K37 HydrophobicContact CG-CD 4.04Å; E33-K37 WeakPolarHBondContact O-CB 3.13Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 3.44Å; E33-K37 VanDerWaalsContact OE1-CE 3.28Å; E33-K37 WeakPolarHBondContact OE1-CE 3.2Å; E33-K37 IonicContact OE1-NZ 2.59Å; E33-K37 PolarHBondContact OE1-NZ 2.97Å |
| 34 | V | 85.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 171.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | I8 F10 L19 F21 L30 C31 K37 I38 A41 Y83 | I8-V34 HydrophobicContact CD1-CG1 4.47Å; I8-V34 HydrophobicContact CD1-CG2 3.27Å; I8-V34 HydrophobicContact CG2-CG1 4.46Å; F10-V34 HydrophobicContact CZ-CG1 4.07Å; L19-V34 HydrophobicContact CD1-CG2 4.35Å; F21-V34 HydrophobicContact CZ-CG2 4.12Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 2.96Å; C31-V34 PolarHBondContact O-N 3.33Å; V34-K37 PolarHBondContact O-N 3.04Å; V34-I38 HydrophobicContact CG1-CD1 4.06Å; V34-I38 WeakPolarHBondContact O-CB 3.5Å; V34-I38 PolarHBondContact O-N 3.19Å; V34-A41 HydrophobicContact CG1-CB 4.22Å; V34-Y83 HydrophobicContact CG1-CD2 4.06Å; V34-Y83 HydrophobicContact CG1-CE2 4.25Å; V34-Y83 HydrophobicContact CG1-CG 4.29Å |
| 35 | Q | 83.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | 176.2 | -72.1 | -175.5 | -2.3 | 0 | 0 | 113.2 | C31 H32 A41 P46 Y83 | C31-Q35 WeakPolarHBondContact O-CG 3.5Å; C31-Q35 PolarHBondContact O-N 3.28Å; H32-Q35 PolarHBondContact O-N 3.36Å; Q35-A41 HydrophobicContact CB-CB 4.49Å; Q35-A41 HydrophobicContact CG-CB 4.12Å; Q35-P46 VanDerWaalsContact NE2-CB 3.32Å; Q35-Y83 PolarHBondContact NE2-OH 3.14Å |
| 36 | S | 83.1 | Confident | 80.8 | Confident | 97 Ų | 97 | 62.6 Ų | 62.6 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -71.1 | -31.8 | 179 | -177.4 | 0 | 0 | 0 | 0 | 113 | H32 E33 | H32-S36 PolarHBondContact O-N 3.4Å; E33-S36 PolarHBondContact O-N 3.32Å |
| 37 | K | 83.5 | Confident | 80.2 | Confident | 109 Ų | 109 | 67.3 Ų | 67.3 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -93.5 | -27.9 | -174.9 | -71.7 | -178.4 | 175.6 | 173.6 | 0 | 113.7 | L19 E33 V34 | L19-K37 HydrophobicContact CD1-CB 4.33Å; L19-K37 HydrophobicContact CD1-CD 4.25Å; L19-K37 HydrophobicContact CD2-CB 4.46Å; L19-K37 HydrophobicContact CD2-CD 3.87Å; E33-K37 HydrophobicContact CG-CD 4.04Å; E33-K37 WeakPolarHBondContact O-CB 3.13Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 3.44Å; E33-K37 VanDerWaalsContact OE1-CE 3.28Å; E33-K37 WeakPolarHBondContact OE1-CE 3.2Å; E33-K37 IonicContact OE1-NZ 2.59Å; E33-K37 PolarHBondContact OE1-NZ 2.97Å; V34-K37 PolarHBondContact O-N 3.04Å |
| 38 | I | 83.8 | Confident | 79.9 | Confident | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | trans | -112.1 | 116.2 | -173.1 | -53.6 | -177.8 | 0 | 0 | 0 | 109.8 | F10 Y17 L19 V34 E40 A41 A42 | F10-I38 HydrophobicContact CE2-CD1 3.54Å; F10-I38 HydrophobicContact CE2-CG2 3.93Å; F10-I38 HydrophobicContact CZ-CB 4.3Å; F10-I38 HydrophobicContact CZ-CD1 3.84Å; F10-I38 HydrophobicContact CZ-CG2 3.86Å; Y17-I38 HydrophobicContact CD1-CD1 4.47Å; Y17-I38 HydrophobicContact CD2-CD1 3.75Å; Y17-I38 HydrophobicContact CD2-CG1 4.47Å; Y17-I38 HydrophobicContact CD2-CG2 3.97Å; Y17-I38 HydrophobicContact CE1-CG2 4.39Å; Y17-I38 HydrophobicContact CE2-CG2 3.67Å; Y17-I38 HydrophobicContact CG-CD1 3.71Å; Y17-I38 HydrophobicContact CG-CG1 4.28Å; Y17-I38 HydrophobicContact CG-CG2 4.44Å; L19-I38 HydrophobicContact CD1-CD1 3.96Å; L19-I38 HydrophobicContact CD1-CG1 4.23Å; V34-I38 HydrophobicContact CG1-CD1 4.06Å; V34-I38 WeakPolarHBondContact O-CB 3.5Å; V34-I38 PolarHBondContact O-N 3.19Å; I38-E40 HydrophobicContact CG2-CB 4.12Å; I38-E40 PolarHBondContact O-N 2.95Å; I38-A41 HydrophobicContact CB-CB 4.2Å; I38-A41 PolarHBondContact O-N 3.18Å; I38-A42 PolarHBondContact O-N 3.03Å | ||
| 39 | R | 76.3 | Confident | 79.9 | Confident | 229 Ų | 229 | 66.2 Ų | 66.2 | 86% | 0.864 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.5 | -177.6 | -166.7 | 176.4 | 179 | -173.1 | -0.2 | 113.2 | A41 | R39-A41 VanDerWaalsContact C-N 3.34Š|
| 40 | E | 76.4 | Confident | 79.9 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 29% | 0.285 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -31.4 | 174.9 | -67.8 | 173.1 | -140.9 | 0 | 0 | 112.9 | S13 N15 Y17 I38 | S13-E40 WeakPolarHBondContact CB-OE2 3.46Å; S13-E40 PolarHBondContact OG-OE2 2.94Å; N15-E40 PolarHBondContact ND2-OE1 3.06Å; Y17-E40 PolarHBondContact OH-OE1 3.44Å; I38-E40 HydrophobicContact CG2-CB 4.12Å; I38-E40 PolarHBondContact O-N 2.95Å |
| 41 | A | 72.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -25.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F10 V34 Q35 I38 R39 C43 L44 Y83 | F10-A41 HydrophobicContact CE1-CB 3.88Å; F10-A41 HydrophobicContact CZ-CB 3.9Å; V34-A41 HydrophobicContact CG1-CB 4.22Å; Q35-A41 HydrophobicContact CB-CB 4.49Å; Q35-A41 HydrophobicContact CG-CB 4.12Å; I38-A41 HydrophobicContact CB-CB 4.2Å; I38-A41 PolarHBondContact O-N 3.18Å; R39-A41 VanDerWaalsContact C-N 3.34Å; A41-C43 PolarHBondContact O-N 3.12Å; A41-L44 PolarHBondContact O-N 3.21Å; A41-L44 VanDerWaalsContact O-N 3.12Å; A41-Y83 HydrophobicContact CB-CE1 4.16Å |
| 42 | A | 67.5 | Low | 80.1 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I38 | I38-A42 PolarHBondContact O-N 3.03Š|
| 43 | C | 62.9 | Low | 80.3 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 78% | 0.784 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -0.1 | 178.6 | -62 | 0 | 0 | 0 | 0 | 113.5 | A41 | A41-C43 PolarHBondContact O-N 3.12Š|
| 44 | L | 73.6 | Confident | 80.3 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -108.6 | 145.5 | -169.2 | -58.4 | 175.9 | 0 | 0 | 0 | 111.5 | A41 P46 Y49 Y83 | A41-L44 PolarHBondContact O-N 3.21Å; A41-L44 VanDerWaalsContact O-N 3.12Å; L44-P46 WeakPolarHBondContact O-CD 3.1Å; L44-Y49 HydrophobicContact CB-CD2 3.93Å; L44-Y49 HydrophobicContact CB-CE2 3.82Å; L44-Y49 HydrophobicContact CB-CG 4.39Å; L44-Y49 HydrophobicContact CD1-CD1 4.09Å; L44-Y49 HydrophobicContact CD1-CE1 3.68Å; L44-Y49 HydrophobicContact CD1-CE2 4.27Å; L44-Y49 HydrophobicContact CD2-CE2 4.01Å; L44-Y49 HydrophobicContact CG-CE1 4.5Å; L44-Y49 HydrophobicContact CG-CE2 4.25Å; L44-Y83 HydrophobicContact CD1-CE1 4.25Å |
| 45 | N | 76.2 | Confident | 80.3 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 36% | 0.358 | 33% | 0.325 | S | S | . | . | trans | -72.3 | 119.3 | -178.5 | -169.7 | -1.2 | 0 | 0 | 0 | 111 | L47 E48 Y49 | N45-L47 PolarHBondContact O-N 3.11Å; N45-L47 VanDerWaalsContact O-N 3.11Å; N45-E48 HydrophobicContact CB-CB 4.31Å; N45-E48 HydrophobicContact CB-CG 4.2Å; N45-E48 PolarHBondContact ND2-OE1 3.4Å; N45-E48 PolarHBondContact O-N 3.11Å; N45-E48 VanDerWaalsContact O-N 3.11Å; N45-Y49 WeakPolarHBondContact O-CD2 3.25Å; N45-Y49 PolarHBondContact O-N 3.34Å | ||
| 46 | P | 70.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 66 Ų | 66 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.3 | -178.1 | 17.4 | -28.8 | 0 | 0 | 0 | 115 | Q35 L44 | Q35-P46 VanDerWaalsContact NE2-CB 3.32Å; L44-P46 WeakPolarHBondContact O-CD 3.1Å |
| 47 | L | 76.5 | Confident | 80.1 | Confident | 139 Ų | 139 | 64 Ų | 64 | 73% | 0.728 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -27.9 | 179.3 | -68 | 167.3 | 0 | 0 | 0 | 112.8 | N45 | N45-L47 PolarHBondContact O-N 3.11Å; N45-L47 VanDerWaalsContact O-N 3.11Å |
| 48 | E | 83.4 | Confident | 79.9 | Confident | 78 Ų | 78 | 62 Ų | 62 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -16.2 | -175.8 | -67.4 | 171.5 | -159.9 | 0 | 0 | 112.6 | N45 C85 K86 L87 | N45-E48 HydrophobicContact CB-CB 4.31Å; N45-E48 HydrophobicContact CB-CG 4.2Å; N45-E48 PolarHBondContact ND2-OE1 3.4Å; N45-E48 PolarHBondContact O-N 3.11Å; N45-E48 VanDerWaalsContact O-N 3.11Å; E48-C85 CarbonylContact O-C 3.56Å; E48-K86 WeakPolarHBondContact O-CB 3.5Å; E48-K86 PolarHBondContact O-N 3.24Å; E48-L87 HydrophobicContact CB-CD1 4.42Å; E48-L87 HydrophobicContact CG-CD1 4Å |
| 49 | Y | 87.2 | Confident | 79.7 | Confident | 33 Ų | 33 | 67 Ų | 67 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 155.7 | -178.2 | -75.5 | -101.6 | 0 | 0 | 0 | 111.4 | L44 N45 Y83 R84 C85 K86 | L44-Y49 HydrophobicContact CB-CD2 3.93Å; L44-Y49 HydrophobicContact CB-CE2 3.82Å; L44-Y49 HydrophobicContact CB-CG 4.39Å; L44-Y49 HydrophobicContact CD1-CD1 4.09Å; L44-Y49 HydrophobicContact CD1-CE1 3.68Å; L44-Y49 HydrophobicContact CD1-CE2 4.27Å; L44-Y49 HydrophobicContact CD2-CE2 4.01Å; L44-Y49 HydrophobicContact CG-CE1 4.5Å; L44-Y49 HydrophobicContact CG-CE2 4.25Å; N45-Y49 WeakPolarHBondContact O-CD2 3.25Å; N45-Y49 PolarHBondContact O-N 3.34Å; Y49-Y83 WeakPolarHBondContact CB-OH 3.44Å; Y49-Y83 HydrophobicContact CD1-CD1 4.03Å; Y49-Y83 AromaticContact CD1-CE1 3.71Å; Y49-Y83 HydrophobicContact CD1-CE1 3.71Å; Y49-Y83 AromaticContact CG-CE1 3.94Å; Y49-Y83 HydrophobicContact CG-CE1 3.94Å; Y49-R84 WeakPolarHBondContact CA-O 3.37Å; Y49-R84 VanDerWaalsContact CD1-C 3.47Å; Y49-C85 HydrophobicContact CD1-CB 4.27Å; Y49-C85 HydrophobicContact CE1-CB 3.77Å; Y49-C85 HydrophobicContact CE2-CB 4.26Å; Y49-K86 VanDerWaalsContact O-CE 3.3Å; Y49-K86 WeakPolarHBondContact O-CE 3.42Å |
| 50 | G | 88.2 | Confident | 80 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | -179.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R84 | G50-R84 PolarHBondContact N-O 2.97Å; G50-R84 PolarHBondContact O-N 3.01Å; G50-R84 VanDerWaalsContact O-N 3.07Å |
| 51 | I | 89.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.2 | 178.9 | -58.8 | 172.7 | 0 | 0 | 0 | 108.5 | L30 L64 V81 Q82 Y83 | L30-I51 HydrophobicContact CB-CD1 4.31Å; L30-I51 HydrophobicContact CD2-CD1 3.25Å; L30-I51 HydrophobicContact CG-CD1 3.52Å; I51-L64 HydrophobicContact CB-CB 4.33Å; I51-L64 HydrophobicContact CB-CD1 3.85Å; I51-L64 HydrophobicContact CB-CG 4.12Å; I51-L64 HydrophobicContact CG2-CD1 3.48Å; I51-L64 VanDerWaalsContact CG2-CD1 3.48Å; I51-L64 HydrophobicContact CG2-CG 3.99Å; I51-L64 PolarHBondContact O-N 3.27Å; I51-V81 HydrophobicContact CG2-CB 3.64Å; I51-V81 HydrophobicContact CG2-CG1 4.17Å; I51-V81 HydrophobicContact CG2-CG2 3.85Å; I51-Q82 CarbonylContact C-O 3.6Å; I51-Q82 WeakPolarHBondContact CA-O 3.42Å; I51-Y83 HydrophobicContact CG1-CD2 4.35Å |
| 52 | F | 89.9 | Confident | 81.2 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.035 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132 | -177.6 | 179.4 | -106.3 | 0 | 0 | 0 | 109.5 | P54 S61 W63 Q82 R84 | F52-P54 HydrophobicContact CD1-CB 4.49Å; F52-P54 HydrophobicContact CE1-CB 4.11Å; F52-P54 WeakPolarHBondContact O-CD 3.49Å; F52-S61 VanDerWaalsContact CZ-CB 3.46Å; F52-W63 HydrophobicContact CB-CD2 4.32Å; F52-W63 HydrophobicContact CB-CE3 3.93Å; F52-W63 HydrophobicContact CB-CH2 4.14Å; F52-W63 HydrophobicContact CB-CZ3 3.84Å; F52-W63 AromaticContact CD2-CD2 3.83Å; F52-W63 HydrophobicContact CD2-CD2 3.83Å; F52-W63 AromaticContact CD2-CE2 3.67Å; F52-W63 HydrophobicContact CD2-CE3 4.3Å; F52-W63 HydrophobicContact CD2-CG 4.16Å; F52-W63 HydrophobicContact CD2-CZ2 4.04Å; F52-W63 AromaticContact CD2-NE1 3.87Å; F52-W63 HydrophobicContact CG-CZ2 4.5Å; F52-Q82 HydrophobicContact CB-CB 4.3Å; F52-Q82 HydrophobicContact CD1-CB 4.34Å; F52-Q82 PolarHBondContact N-O 3.39Å; F52-Q82 PolarHBondContact O-N 2.92Å; F52-R84 HydrophobicContact CB-CB 4.49Å |
| 53 | V | 90.3 | Very high | 82.3 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 107.9 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | S61 F62 L64 F75 F79 V81 | V53-S61 WeakPolarHBondContact O-CA 3.26Å; V53-F62 HydrophobicContact CB-CD1 4.41Å; V53-F62 HydrophobicContact CB-CE1 4.05Å; V53-F62 HydrophobicContact CB-CE2 4.27Å; V53-F62 HydrophobicContact CB-CZ 3.97Å; V53-F62 HydrophobicContact CG1-CE1 4.01Å; V53-F62 HydrophobicContact CG1-CZ 4.1Å; V53-F62 HydrophobicContact CG2-CE2 4.06Å; V53-F62 HydrophobicContact CG2-CZ 4.02Å; V53-F62 PolarHBondContact N-O 3.44Å; V53-F62 PolarHBondContact O-N 2.94Å; V53-L64 HydrophobicContact CG2-CD2 3.82Å; V53-L64 HydrophobicContact CG2-CG 4.3Å; V53-F75 HydrophobicContact CG2-CE1 4.09Å; V53-F75 HydrophobicContact CG2-CZ 3.87Å; V53-F79 HydrophobicContact CG1-CE1 3.84Å; V53-F79 HydrophobicContact CG1-CZ 3.88Å; V53-F79 HydrophobicContact CG2-CE1 4.44Å; V53-V81 HydrophobicContact CG2-CG1 4.38Å |
| 54 | P | 85.7 | Confident | 83.6 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | trans | -75.3 | 136.4 | 175.9 | 31.6 | -34.3 | 0 | 0 | 0 | 110.9 | F52 Q82 | F52-P54 HydrophobicContact CD1-CB 4.49Å; F52-P54 HydrophobicContact CE1-CB 4.11Å; F52-P54 WeakPolarHBondContact O-CD 3.49Å; P54-Q82 HydrophobicContact CG-CG 4.19Å | ||
| 55 | D | 85.1 | Confident | 84.2 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | trans | -119.9 | 149.5 | 171.9 | -169.8 | -75.6 | 0 | 0 | 0 | 108.9 | D57 H60 S61 | D55-D57 CarbonylContact O-C 3.43Å; D55-D57 PolarHBondContact O-N 2.88Å; D55-D57 VanDerWaalsContact O-N 3.16Å; D55-D57 PolarHBondContact OD1-N 2.75Å; D55-H60 HydrophobicContact CB-CB 3.98Å; D55-S61 PolarHBondContact N-OG 2.98Å; D55-S61 PolarHBondContact O-OG 3.1Å | ||
| 56 | P | 82.2 | Confident | 84.7 | Confident | 135 Ų | 135 | 56.3 Ų | 56.3 | 88% | 0.877 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -50.7 | -33.5 | 174.2 | -28 | 33.2 | 0 | 0 | 0 | 114.3 | ||
| 57 | D | 80.9 | Confident | 85.3 | Confident | 57 Ų | 57 | 58 Ų | 58 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -95.1 | 119.3 | 169.1 | -170.3 | -19.4 | 0 | 0 | 0 | 109.9 | D55 K59 H60 S61 | D55-D57 CarbonylContact O-C 3.43Å; D55-D57 PolarHBondContact O-N 2.88Å; D55-D57 VanDerWaalsContact O-N 3.16Å; D55-D57 PolarHBondContact OD1-N 2.75Å; D57-K59 PolarHBondContact O-N 3.1Å; D57-K59 WeakPolarHBondContact OD1-CB 3.36Å; D57-K59 WeakPolarHBondContact OD1-CG 3.23Å; D57-K59 PolarHBondContact OD1-N 3.04Å; D57-H60 HydrophobicContact CB-CB 4.48Å; D57-H60 PolarHBondContact O-N 3.41Å; D57-H60 IonicContact OD2-CD2 3.78Å; D57-S61 PolarHBondContact O-N 2.98Å; D57-S61 PolarHBondContact O-OG 3.13Å |
| 58 | P | 79.1 | Confident | 85.9 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.3 | 177.8 | 22.8 | -34 | 0 | 0 | 0 | 113.4 | H60 S61 R182 | P58-H60 VanDerWaalsContact C-N 3.34Å; P58-S61 PolarHBondContact O-N 2.86Å; P58-R182 WeakPolarHBondContact O-CD 3.14Å; P58-R182 WeakPolarHBondContact O-CG 3.25Å |
| 59 | K | 79.1 | Confident | 86.2 | Confident | 110 Ų | 110 | 56 Ų | 56 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -28.8 | 176.7 | -64.1 | 174.8 | -177.5 | 173.6 | 0 | 113.4 | D57 | D57-K59 PolarHBondContact O-N 3.1Å; D57-K59 WeakPolarHBondContact OD1-CB 3.36Å; D57-K59 WeakPolarHBondContact OD1-CG 3.23Å; D57-K59 PolarHBondContact OD1-N 3.04Å |
| 60 | H | 82.9 | Confident | 86.1 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 58% | 0.583 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -10.4 | 179.6 | -71.8 | -53.1 | 0 | 0 | 0 | 113 | D55 D57 P58 F62 | D55-H60 HydrophobicContact CB-CB 3.98Å; D57-H60 HydrophobicContact CB-CB 4.48Å; D57-H60 PolarHBondContact O-N 3.41Å; D57-H60 IonicContact OD2-CD2 3.78Å; P58-H60 VanDerWaalsContact C-N 3.34Å; H60-F62 WeakPolarHBondContact O-CD1 3.23Å |
| 61 | S | 85.6 | Confident | 86 | Confident | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | trans | -69.4 | 137.7 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | F52 V53 D55 D57 P58 R182 | F52-S61 VanDerWaalsContact CZ-CB 3.46Å; V53-S61 WeakPolarHBondContact O-CA 3.26Å; D55-S61 PolarHBondContact N-OG 2.98Å; D55-S61 PolarHBondContact O-OG 3.1Å; D57-S61 PolarHBondContact O-N 2.98Å; D57-S61 PolarHBondContact O-OG 3.13Å; P58-S61 PolarHBondContact O-N 2.86Å; S61-R182 WeakPolarHBondContact O-CD 3.15Å | ||
| 62 | F | 88.3 | Confident | 85.9 | Confident | 82 Ų | 82 | 63 Ų | 63 | 36% | 0.36 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 157.8 | -174.2 | 64.3 | -85.9 | 0 | 0 | 0 | 113.5 | V53 H60 L64 Y73 | V53-F62 HydrophobicContact CB-CD1 4.41Å; V53-F62 HydrophobicContact CB-CE1 4.05Å; V53-F62 HydrophobicContact CB-CE2 4.27Å; V53-F62 HydrophobicContact CB-CZ 3.97Å; V53-F62 HydrophobicContact CG1-CE1 4.01Å; V53-F62 HydrophobicContact CG1-CZ 4.1Å; V53-F62 HydrophobicContact CG2-CE2 4.06Å; V53-F62 HydrophobicContact CG2-CZ 4.02Å; V53-F62 PolarHBondContact N-O 3.44Å; V53-F62 PolarHBondContact O-N 2.94Å; H60-F62 WeakPolarHBondContact O-CD1 3.23Å; F62-L64 HydrophobicContact CD2-CD2 4.15Å; F62-L64 HydrophobicContact CE2-CD2 3.6Å; F62-Y73 HydrophobicContact CD2-CE1 4.37Å; F62-Y73 AromaticContact CE2-CD1 3.77Å; F62-Y73 HydrophobicContact CE2-CD1 3.77Å; F62-Y73 AromaticContact CE2-CE1 3.72Å; F62-Y73 HydrophobicContact CE2-CE1 3.72Å; F62-Y73 HydrophobicContact CZ-CD1 4.34Å |
| 63 | W | 90.4 | Very high | 85.6 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 141.1 | 174 | -69.3 | 93.3 | 0 | 0 | 0 | 110.3 | F52 R84 C85 K86 D106 | F52-W63 HydrophobicContact CB-CD2 4.32Å; F52-W63 HydrophobicContact CB-CE3 3.93Å; F52-W63 HydrophobicContact CB-CH2 4.14Å; F52-W63 HydrophobicContact CB-CZ3 3.84Å; F52-W63 AromaticContact CD2-CD2 3.83Å; F52-W63 HydrophobicContact CD2-CD2 3.83Å; F52-W63 AromaticContact CD2-CE2 3.67Å; F52-W63 HydrophobicContact CD2-CE3 4.3Å; F52-W63 HydrophobicContact CD2-CG 4.16Å; F52-W63 HydrophobicContact CD2-CZ2 4.04Å; F52-W63 AromaticContact CD2-NE1 3.87Å; F52-W63 HydrophobicContact CG-CZ2 4.5Å; W63-R84 HydrophobicContact CH2-CB 3.9Å; W63-R84 HydrophobicContact CH2-CG 4.17Å; W63-R84 HydrophobicContact CZ3-CB 4.4Å; W63-C85 WeakPolarHBondContact CH2-O 3.35Å; W63-K86 HydrophobicContact CD2-CG 4.4Å; W63-K86 HydrophobicContact CE3-CG 3.9Å; W63-K86 HydrophobicContact CH2-CB 4.28Å; W63-K86 HydrophobicContact CH2-CG 3.86Å; W63-K86 HydrophobicContact CZ2-CB 4.5Å; W63-K86 HydrophobicContact CZ2-CG 4.37Å; W63-K86 HydrophobicContact CZ3-CG 3.61Å; W63-D106 PolarHBondContact NE1-OD2 2.86Å |
| 64 | L | 90.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 136.8 | 171.9 | -56.4 | -170.3 | 0 | 0 | 0 | 110.5 | V27 I51 V53 F62 Y73 F75 | V27-L64 HydrophobicContact CG1-CB 3.7Å; V27-L64 HydrophobicContact CG2-CB 3.98Å; V27-L64 HydrophobicContact CG2-CD1 4.31Å; I51-L64 HydrophobicContact CB-CB 4.33Å; I51-L64 HydrophobicContact CB-CD1 3.85Å; I51-L64 HydrophobicContact CB-CG 4.12Å; I51-L64 HydrophobicContact CG2-CD1 3.48Å; I51-L64 VanDerWaalsContact CG2-CD1 3.48Å; I51-L64 HydrophobicContact CG2-CG 3.99Å; I51-L64 PolarHBondContact O-N 3.27Å; V53-L64 HydrophobicContact CG2-CD2 3.82Å; V53-L64 HydrophobicContact CG2-CG 4.3Å; F62-L64 HydrophobicContact CD2-CD2 4.15Å; F62-L64 HydrophobicContact CE2-CD2 3.6Å; L64-Y73 HydrophobicContact CB-CE2 4.29Å; L64-Y73 HydrophobicContact CD2-CD1 3.77Å; L64-Y73 HydrophobicContact CD2-CD2 3.96Å; L64-Y73 HydrophobicContact CD2-CE1 3.6Å; L64-Y73 HydrophobicContact CD2-CE2 3.8Å; L64-Y73 HydrophobicContact CD2-CG 3.95Å; L64-Y73 HydrophobicContact CG-CE2 4.46Å; L64-F75 HydrophobicContact CD1-CE2 3.91Å; L64-F75 HydrophobicContact CD1-CZ 4.09Å; L64-F75 HydrophobicContact CD2-CE2 4.36Å; L64-F75 HydrophobicContact CD2-CZ 3.89Å |
| 65 | D | 86.6 | Confident | 85.2 | Confident | 64 Ų | 64 | 70.9 Ų | 70.9 | 34% | 0.342 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 118.7 | 179.5 | -179.6 | -10.3 | 0 | 0 | 0 | 108.8 | V27 S67 R68 Y73 | V27-D65 WeakPolarHBondContact CB-O 3.39Å; V27-D65 WeakPolarHBondContact CG2-O 3.3Å; D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 PolarHBondContact OD1-N 2.85Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 3.22Å; D65-R68 HydrophobicContact CB-CB 4.33Å; D65-R68 HydrophobicContact CB-CG 3.89Å; D65-R68 PolarHBondContact O-N 2.96Å; D65-R68 IonicContact OD2-NE 2.73Å; D65-R68 PolarHBondContact OD2-NE 3.26Å; D65-Y73 WeakPolarHBondContact CB-OH 3.5Å; D65-Y73 PolarHBondContact N-OH 3.46Å |
| 66 | N | 86.6 | Confident | 85.1 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.2 | -177.7 | -74.2 | 4 | 0 | 0 | 0 | 113 | Y28 | Y28-N66 WeakPolarHBondContact CB-O 3.48Å; Y28-N66 PolarHBondContact N-O 2.66Å; Y28-N66 VanDerWaalsContact N-O 3.15Å |
| 67 | S | 84.4 | Confident | 85.1 | Confident | 94 Ų | 94 | 70.2 Ų | 70.2 | 66% | 0.657 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -14.6 | -178.6 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | D65 | D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 PolarHBondContact OD1-N 2.85Å; D65-S67 PolarHBondContact OD1-OG 2.85Å; D65-S67 PolarHBondContact OD2-OG 3.22Å |
| 68 | R | 89 | Confident | 85.3 | Confident | 95 Ų | 95 | 71.9 Ų | 71.9 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -91 | 152.2 | -176.2 | -65.4 | -174 | -173.7 | -118.5 | 4.8 | 111.4 | V27 D65 Y72 Y73 | V27-R68 WeakPolarHBondContact CG2-O 3.5Å; V27-R68 PolarHBondContact N-O 2.61Å; D65-R68 HydrophobicContact CB-CB 4.33Å; D65-R68 HydrophobicContact CB-CG 3.89Å; D65-R68 PolarHBondContact O-N 2.96Å; D65-R68 IonicContact OD2-NE 2.73Å; D65-R68 PolarHBondContact OD2-NE 3.26Å; R68-Y72 VanDerWaalsContact NH1-CE1 3.33Å; R68-Y72 PolarHBondContact NH1-OH 3.23Å; R68-Y73 HydrophobicContact CB-CE2 4.11Å |
| 69 | M | 89.2 | Confident | 85.7 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -79.1 | 150.1 | 172.6 | -60.6 | 174 | 77.5 | 0 | 0 | 110 | D24 S71 Y72 | D24-M69 HydrophobicContact CB-CE 3.79Å; D24-M69 WeakPolarHBondContact O-CE 3.4Å; M69-S71 WeakPolarHBondContact CB-OG 3.24Å; M69-S71 PolarHBondContact O-N 2.96Å; M69-Y72 VanDerWaalsContact O-CB 3.24Å; M69-Y72 WeakPolarHBondContact O-CB 3.46Å; M69-Y72 PolarHBondContact O-N 3.28Å |
| 70 | L | 85.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -59 | -31.3 | 177.8 | -169.5 | 65.1 | 0 | 0 | 0 | 112.5 | L6 F21 I25 L30 Y72 Y73 F75 | L6-L70 HydrophobicContact CD1-CD1 4.05Å; L6-L70 HydrophobicContact CD1-CD2 3.8Å; F21-L70 HydrophobicContact CB-CD2 4.45Å; I25-L70 HydrophobicContact CG2-CB 3.99Å; I25-L70 HydrophobicContact CG2-CD2 4.14Å; I25-L70 PolarHBondContact O-N 2.85Å; L30-L70 HydrophobicContact CD2-CD1 3.96Å; L70-Y72 PolarHBondContact O-N 3.05Å; L70-Y73 PolarHBondContact O-N 3.1Å; L70-F75 HydrophobicContact CD1-CD2 3.47Å; L70-F75 VanDerWaalsContact CD1-CD2 3.47Å; L70-F75 HydrophobicContact CD1-CE2 3.58Å; L70-F75 HydrophobicContact CG-CD2 4.15Å |
| 71 | S | 85.4 | Confident | 86.5 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -57.6 | -26.6 | 175 | 59.9 | 0 | 0 | 0 | 0 | 114.4 | K23 M69 Y73 H74 | K23-S71 WeakPolarHBondContact O-CB 3.3Å; K23-S71 PolarHBondContact O-N 2.88Å; K23-S71 VanDerWaalsContact O-N 3.14Å; M69-S71 WeakPolarHBondContact CB-OG 3.24Å; M69-S71 PolarHBondContact O-N 2.96Å; S71-Y73 VanDerWaalsContact C-N 3.26Å; S71-Y73 PolarHBondContact O-N 2.84Å; S71-H74 PolarHBondContact O-N 3.41Å; S71-H74 PolarHBondContact O-ND1 3.34Å |
| 72 | Y | 86.8 | Confident | 86.6 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 51% | 0.506 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -63.3 | -30.4 | 178.3 | 178.3 | -95.3 | 0 | 0 | 0 | 112.9 | R68 M69 L70 | R68-Y72 VanDerWaalsContact NH1-CE1 3.33Å; R68-Y72 PolarHBondContact NH1-OH 3.23Å; M69-Y72 VanDerWaalsContact O-CB 3.24Å; M69-Y72 WeakPolarHBondContact O-CB 3.46Å; M69-Y72 PolarHBondContact O-N 3.28Å; L70-Y72 PolarHBondContact O-N 3.05Å |
| 73 | Y | 84.8 | Confident | 86.7 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -93.5 | -4.8 | -174.2 | -63.5 | -77.5 | 0 | 0 | 0 | 114.1 | V27 F62 L64 D65 R68 L70 S71 F75 | V27-Y73 HydrophobicContact CG2-CE2 4.13Å; F62-Y73 HydrophobicContact CD2-CE1 4.37Å; F62-Y73 AromaticContact CE2-CD1 3.77Å; F62-Y73 HydrophobicContact CE2-CD1 3.77Å; F62-Y73 AromaticContact CE2-CE1 3.72Å; F62-Y73 HydrophobicContact CE2-CE1 3.72Å; F62-Y73 HydrophobicContact CZ-CD1 4.34Å; L64-Y73 HydrophobicContact CB-CE2 4.29Å; L64-Y73 HydrophobicContact CD2-CD1 3.77Å; L64-Y73 HydrophobicContact CD2-CD2 3.96Å; L64-Y73 HydrophobicContact CD2-CE1 3.6Å; L64-Y73 HydrophobicContact CD2-CE2 3.8Å; L64-Y73 HydrophobicContact CD2-CG 3.95Å; L64-Y73 HydrophobicContact CG-CE2 4.46Å; D65-Y73 WeakPolarHBondContact CB-OH 3.5Å; D65-Y73 PolarHBondContact N-OH 3.46Å; R68-Y73 HydrophobicContact CB-CE2 4.11Å; L70-Y73 PolarHBondContact O-N 3.1Å; S71-Y73 VanDerWaalsContact C-N 3.26Å; S71-Y73 PolarHBondContact O-N 2.84Å; Y73-F75 VanDerWaalsContact C-N 3.31Å; Y73-F75 VanDerWaalsContact CB-CE2 3.44Å; Y73-F75 HydrophobicContact CD2-CE2 4.27Å; Y73-F75 HydrophobicContact CG-CE2 4.02Å; Y73-F75 HydrophobicContact CG-CZ 4.02Å; Y73-F75 PolarHBondContact O-N 3.43Å |
| 74 | H | 82.5 | Confident | 86.6 | Confident | 165 Ų | 165 | 63.5 Ų | 63.5 | 76% | 0.764 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.4 | 177.4 | -56.4 | -55.3 | 0 | 0 | 0 | 115.3 | S71 | S71-H74 PolarHBondContact O-N 3.41Å; S71-H74 PolarHBondContact O-ND1 3.34Å |
| 75 | F | 83.5 | Confident | 86.5 | Confident | 25 Ų | 25 | 64.9 Ų | 64.9 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 138.8 | 178 | -62.8 | -54.1 | 0 | 0 | 0 | 113.2 | L6 V53 L64 L70 Y73 F79 | L6-F75 HydrophobicContact CD2-CB 4.13Å; L6-F75 HydrophobicContact CD2-CD2 4.38Å; L6-F75 HydrophobicContact CD2-CG 4.4Å; V53-F75 HydrophobicContact CG2-CE1 4.09Å; V53-F75 HydrophobicContact CG2-CZ 3.87Å; L64-F75 HydrophobicContact CD1-CE2 3.91Å; L64-F75 HydrophobicContact CD1-CZ 4.09Å; L64-F75 HydrophobicContact CD2-CE2 4.36Å; L64-F75 HydrophobicContact CD2-CZ 3.89Å; L70-F75 HydrophobicContact CD1-CD2 3.47Å; L70-F75 VanDerWaalsContact CD1-CD2 3.47Å; L70-F75 HydrophobicContact CD1-CE2 3.58Å; L70-F75 HydrophobicContact CG-CD2 4.15Å; Y73-F75 VanDerWaalsContact C-N 3.31Å; Y73-F75 VanDerWaalsContact CB-CE2 3.44Å; Y73-F75 HydrophobicContact CD2-CE2 4.27Å; Y73-F75 HydrophobicContact CG-CE2 4.02Å; Y73-F75 HydrophobicContact CG-CZ 4.02Å; Y73-F75 PolarHBondContact O-N 3.43Å; F75-F79 HydrophobicContact CB-CB 4.2Å; F75-F79 HydrophobicContact CB-CG 4.43Å; F75-F79 HydrophobicContact CD1-CB 4.46Å; F75-F79 AromaticContact CD1-CD1 3.36Å; F75-F79 HydrophobicContact CD1-CD1 3.36Å; F75-F79 HydrophobicContact CD1-CD2 4.38Å; F75-F79 AromaticContact CD1-CE1 3.56Å; F75-F79 HydrophobicContact CD1-CE1 3.56Å; F75-F79 AromaticContact CD1-CG 3.81Å; F75-F79 HydrophobicContact CD1-CG 3.81Å; F75-F79 HydrophobicContact CD1-CZ 4.16Å; F75-F79 AromaticContact CE1-CD1 3.68Å; F75-F79 HydrophobicContact CE1-CD1 3.68Å; F75-F79 AromaticContact CE1-CE1 3.44Å; F75-F79 HydrophobicContact CE1-CE1 3.44Å; F75-F79 VanDerWaalsContact CE1-CE1 3.44Å; F75-F79 HydrophobicContact CE1-CZ 4.12Å; F75-F79 HydrophobicContact CG-CD1 4.09Å; F75-F79 HydrophobicContact CG-CG 4.42Å; F75-F79 HydrophobicContact CZ-CE1 4.44Å |
| 76 | C | 82.9 | Confident | 86.6 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 64% | 0.635 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 161.4 | 169.7 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | N78 F79 | C76-N78 PolarHBondContact O-N 2.9Å; C76-F79 WeakPolarHBondContact O-CB 3.33Å; C76-F79 PolarHBondContact O-N 2.91Å |
| 77 | D | 83.5 | Confident | 86.6 | Confident | 100 Ų | 100 | 63.2 Ų | 63.2 | 54% | 0.535 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 135.6 | 171.1 | -78.8 | -33.6 | 0 | 0 | 0 | 111 | V4 N5 F79 | V4-D77 VanDerWaalsContact CA-OD1 3.31Å; V4-D77 WeakPolarHBondContact CA-OD1 3.22Å; N5-D77 PolarHBondContact N-OD1 3.16Å; N5-D77 VanDerWaalsContact N-OD1 3.13Å; D77-F79 VanDerWaalsContact C-N 3.33Å |
| 78 | N | 84 | Confident | 86.8 | Confident | 92 Ų | 92 | 59.2 Ų | 59.2 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 25.6 | -174.5 | -49.7 | -43.7 | 0 | 0 | 0 | 114.8 | N5 L7 C76 | N5-N78 WeakPolarHBondContact CB-OD1 3.11Å; N5-N78 WeakPolarHBondContact O-CA 3.4Å; N5-N78 PolarHBondContact O-N 3.32Å; L7-N78 HydrophobicContact CD1-CB 4.26Å; L7-N78 WeakPolarHBondContact CD1-O 3.48Å; L7-N78 HydrophobicContact CG-CB 4.44Å; C76-N78 PolarHBondContact O-N 2.9Å |
| 79 | F | 87.9 | Confident | 86.8 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 135.9 | 171.8 | -168.7 | -95.9 | 0 | 0 | 0 | 111.2 | L6 L7 V53 F75 C76 D77 V81 | L6-F79 HydrophobicContact CD2-CB 4.24Å; L7-F79 PolarHBondContact N-O 3.22Å; V53-F79 HydrophobicContact CG1-CE1 3.84Å; V53-F79 HydrophobicContact CG1-CZ 3.88Å; V53-F79 HydrophobicContact CG2-CE1 4.44Å; F75-F79 HydrophobicContact CB-CB 4.2Å; F75-F79 HydrophobicContact CB-CG 4.43Å; F75-F79 HydrophobicContact CD1-CB 4.46Å; F75-F79 AromaticContact CD1-CD1 3.36Å; F75-F79 HydrophobicContact CD1-CD1 3.36Å; F75-F79 HydrophobicContact CD1-CD2 4.38Å; F75-F79 AromaticContact CD1-CE1 3.56Å; F75-F79 HydrophobicContact CD1-CE1 3.56Å; F75-F79 AromaticContact CD1-CG 3.81Å; F75-F79 HydrophobicContact CD1-CG 3.81Å; F75-F79 HydrophobicContact CD1-CZ 4.16Å; F75-F79 AromaticContact CE1-CD1 3.68Å; F75-F79 HydrophobicContact CE1-CD1 3.68Å; F75-F79 AromaticContact CE1-CE1 3.44Å; F75-F79 HydrophobicContact CE1-CE1 3.44Å; F75-F79 VanDerWaalsContact CE1-CE1 3.44Å; F75-F79 HydrophobicContact CE1-CZ 4.12Å; F75-F79 HydrophobicContact CG-CD1 4.09Å; F75-F79 HydrophobicContact CG-CG 4.42Å; F75-F79 HydrophobicContact CZ-CE1 4.44Å; C76-F79 WeakPolarHBondContact O-CB 3.33Å; C76-F79 PolarHBondContact O-N 2.91Å; D77-F79 VanDerWaalsContact C-N 3.33Å; F79-V81 HydrophobicContact CD1-CG1 3.78Å; F79-V81 HydrophobicContact CE1-CG1 4.04Å |
| 80 | E | 88.5 | Confident | 86.9 | Confident | 60 Ų | 60 | 55.2 Ų | 55.2 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.1 | -177.8 | -169.5 | -175.5 | 138.3 | 0 | 0 | 111.6 | L7 R9 | L7-E80 HydrophobicContact CB-CB 4.42Å; L7-E80 HydrophobicContact CB-CG 4.48Å; L7-E80 WeakPolarHBondContact O-CA 3.47Å; R9-E80 WeakPolarHBondContact CD-OE1 3.22Å; R9-E80 IonicContact CZ-OE1 3.2Å; R9-E80 IonicContact CZ-OE2 3.14Å; R9-E80 IonicContact NE-OE1 3.64Å; R9-E80 PolarHBondContact NE-OE1 3.09Å; R9-E80 IonicContact NE-OE2 2.7Å; R9-E80 IonicContact NH1-OE1 2.66Å; R9-E80 IonicContact NH2-OE1 3.61Å; R9-E80 PolarHBondContact NH2-OE1 3.18Å; R9-E80 IonicContact NH2-OE2 2.71Å; R9-E80 PolarHBondContact NH2-OE2 3.11Å |
| 81 | V | 90.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.1 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | L7 I8 R9 I51 V53 F79 | L7-V81 PolarHBondContact O-N 3.2Å; I8-V81 WeakPolarHBondContact CA-O 3.3Å; I8-V81 HydrophobicContact CG1-CG2 3.95Å; R9-V81 PolarHBondContact N-O 2.82Å; I51-V81 HydrophobicContact CG2-CB 3.64Å; I51-V81 HydrophobicContact CG2-CG1 4.17Å; I51-V81 HydrophobicContact CG2-CG2 3.85Å; V53-V81 HydrophobicContact CG2-CG1 4.38Å; F79-V81 HydrophobicContact CD1-CG1 3.78Å; F79-V81 HydrophobicContact CE1-CG1 4.04Å |
| 82 | Q | 89.4 | Confident | 87.3 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.8 | 179.7 | -65.3 | -177.6 | 3.5 | 0 | 0 | 111 | R9 I51 F52 P54 | R9-Q82 HydrophobicContact CB-CG 4.43Å; R9-Q82 WeakPolarHBondContact O-CA 3.49Å; I51-Q82 CarbonylContact C-O 3.6Å; I51-Q82 WeakPolarHBondContact CA-O 3.42Å; F52-Q82 HydrophobicContact CB-CB 4.3Å; F52-Q82 HydrophobicContact CD1-CB 4.34Å; F52-Q82 PolarHBondContact N-O 3.39Å; F52-Q82 PolarHBondContact O-N 2.92Å; P54-Q82 HydrophobicContact CG-CG 4.19Å |
| 83 | Y | 89.2 | Confident | 87.3 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 98.9 | 169.5 | -170.6 | -98.4 | 0 | 0 | 0 | 108.9 | R9 F10 P11 C31 V34 Q35 A41 L44 Y49 I51 | R9-Y83 PolarHBondContact O-N 2.95Å; F10-Y83 HydrophobicContact CD1-CD1 4.1Å; F10-Y83 AromaticContact CE1-CD1 3.4Å; F10-Y83 HydrophobicContact CE1-CD1 3.4Å; F10-Y83 HydrophobicContact CE1-CE1 4.15Å; F10-Y83 HydrophobicContact CE1-CG 4.07Å; F10-Y83 AromaticContact CZ-CD1 3.95Å; F10-Y83 HydrophobicContact CZ-CD1 3.95Å; F10-Y83 HydrophobicContact CZ-CG 4.24Å; P11-Y83 WeakPolarHBondContact CD-O 3.41Å; C31-Y83 HydrophobicContact CB-CE2 4.44Å; V34-Y83 HydrophobicContact CG1-CD2 4.06Å; V34-Y83 HydrophobicContact CG1-CE2 4.25Å; V34-Y83 HydrophobicContact CG1-CG 4.29Å; Q35-Y83 PolarHBondContact NE2-OH 3.14Å; A41-Y83 HydrophobicContact CB-CE1 4.16Å; L44-Y83 HydrophobicContact CD1-CE1 4.25Å; Y49-Y83 WeakPolarHBondContact CB-OH 3.44Å; Y49-Y83 HydrophobicContact CD1-CD1 4.03Å; Y49-Y83 AromaticContact CD1-CE1 3.71Å; Y49-Y83 HydrophobicContact CD1-CE1 3.71Å; Y49-Y83 AromaticContact CG-CE1 3.94Å; Y49-Y83 HydrophobicContact CG-CE1 3.94Å; I51-Y83 HydrophobicContact CG1-CD2 4.35Å |
| 84 | R | 87.8 | Confident | 87.1 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 152.6 | -168.8 | -174.6 | -178.4 | 167.5 | 171.6 | -2.1 | 111.2 | P11 Y49 G50 F52 W63 K86 E188 | P11-R84 HydrophobicContact CG-CB 4.16Å; P11-R84 HydrophobicContact CG-CG 4.18Å; Y49-R84 WeakPolarHBondContact CA-O 3.37Å; Y49-R84 VanDerWaalsContact CD1-C 3.47Å; G50-R84 PolarHBondContact N-O 2.97Å; G50-R84 PolarHBondContact O-N 3.01Å; G50-R84 VanDerWaalsContact O-N 3.07Å; F52-R84 HydrophobicContact CB-CB 4.49Å; W63-R84 HydrophobicContact CH2-CB 3.9Å; W63-R84 HydrophobicContact CH2-CG 4.17Å; W63-R84 HydrophobicContact CZ3-CB 4.4Å; R84-K86 PolarHBondContact O-N 2.66Å; R84-E188 IonicContact NH2-OE1 2.69Å; R84-E188 PolarHBondContact NH2-OE1 2.99Å |
| 85 | C | 87.9 | Confident | 86.6 | Confident | 34 Ų | 34 | 45.7 Ų | 45.7 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 127.3 | 168.4 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | E48 Y49 W63 L87 | E48-C85 CarbonylContact O-C 3.56Å; Y49-C85 HydrophobicContact CD1-CB 4.27Å; Y49-C85 HydrophobicContact CE1-CB 3.77Å; Y49-C85 HydrophobicContact CE2-CB 4.26Å; W63-C85 WeakPolarHBondContact CH2-O 3.35Å; C85-L87 VanDerWaalsContact C-N 3.27Å; C85-L87 PolarHBondContact O-N 2.92Å |
| 86 | K | 88.7 | Confident | 86.1 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | trans | -71.5 | -21.7 | 178.1 | -64.7 | 179.4 | 178.9 | 179.4 | 0 | 112.7 | E48 Y49 W63 R84 R88 D105 D106 | E48-K86 WeakPolarHBondContact O-CB 3.5Å; E48-K86 PolarHBondContact O-N 3.24Å; Y49-K86 VanDerWaalsContact O-CE 3.3Å; Y49-K86 WeakPolarHBondContact O-CE 3.42Å; W63-K86 HydrophobicContact CD2-CG 4.4Å; W63-K86 HydrophobicContact CE3-CG 3.9Å; W63-K86 HydrophobicContact CH2-CB 4.28Å; W63-K86 HydrophobicContact CH2-CG 3.86Å; W63-K86 HydrophobicContact CZ2-CB 4.5Å; W63-K86 HydrophobicContact CZ2-CG 4.37Å; W63-K86 HydrophobicContact CZ3-CG 3.61Å; R84-K86 PolarHBondContact O-N 2.66Å; K86-R88 PolarHBondContact O-N 2.73Å; K86-D105 WeakPolarHBondContact CB-OD1 3.43Å; K86-D106 WeakPolarHBondContact O-CB 3.46Å; K86-D106 PolarHBondContact O-N 3.21Å | ||
| 87 | L | 88.2 | Confident | 85.8 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.2 | -177.5 | -58.5 | 177.6 | 0 | 0 | 0 | 110.9 | E48 C85 V104 | E48-L87 HydrophobicContact CB-CD1 4.42Å; E48-L87 HydrophobicContact CG-CD1 4Å; C85-L87 VanDerWaalsContact C-N 3.27Å; C85-L87 PolarHBondContact O-N 2.92Å; L87-V104 WeakPolarHBondContact CA-O 3.26Å |
| 88 | R | 87.9 | Confident | 85.7 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.038 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 154.7 | 170 | 68.4 | -179 | -77.4 | 179.4 | -3.9 | 110.7 | K86 Q103 V104 D106 V186 D187 E188 | K86-R88 PolarHBondContact O-N 2.73Å; R88-Q103 WeakPolarHBondContact O-CA 3.32Å; R88-V104 HydrophobicContact CG-CG2 3.77Å; R88-V104 PolarHBondContact N-O 3.42Å; R88-V104 PolarHBondContact O-N 2.94Å; R88-D106 WeakPolarHBondContact CD-OD1 3.49Å; R88-D106 HydrophobicContact CG-CB 4.02Å; R88-D106 IonicContact CZ-OD1 3.74Å; R88-D106 IonicContact NE-OD1 3.45Å; R88-D106 IonicContact NH1-OD1 3.72Å; R88-D106 PolarHBondContact NH1-OD1 3.47Å; R88-V186 PolarHBondContact NH1-O 2.93Å; R88-V186 PolarHBondContact NH2-O 3.01Å; R88-D187 PolarHBondContact NH2-O 3.07Å; R88-E188 HydrophobicContact CB-CG 4.47Å; R88-E188 VanDerWaalsContact NH2-CA 3.31Å |
| 89 | L | 89.6 | Confident | 85.8 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 136.8 | 170.1 | -63.2 | 172.6 | 0 | 0 | 0 | 109.1 | T101 Q103 | L89-T101 HydrophobicContact CB-CG2 4.02Å; L89-T101 HydrophobicContact CD2-CG2 4.02Å; L89-T101 HydrophobicContact CG-CG2 4.43Å; L89-Q103 HydrophobicContact CD2-CG 3.55Å |
| 90 | L | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.2 | 174 | 177.3 | 67 | 0 | 0 | 0 | 109 | I92 T101 L102 V104 I117 L181 L192 | L90-I92 HydrophobicContact CD2-CD1 3.87Å; L90-I92 HydrophobicContact CD2-CG1 3.9Å; L90-I92 HydrophobicContact CG-CD1 4.39Å; L90-I92 HydrophobicContact CG-CG1 3.91Å; L90-T101 CarbonylContact O-C 3.59Å; L90-T101 WeakPolarHBondContact O-CA 3.2Å; L90-L102 PolarHBondContact N-O 3.05Å; L90-L102 PolarHBondContact O-N 2.76Å; L90-V104 HydrophobicContact CB-CG1 4.27Å; L90-V104 HydrophobicContact CB-CG2 3.59Å; L90-V104 HydrophobicContact CD2-CG1 4.21Å; L90-V104 HydrophobicContact CD2-CG2 4.16Å; L90-I117 HydrophobicContact CD2-CD1 4.2Å; L90-L181 HydrophobicContact CD1-CD1 4.24Å; L90-L181 HydrophobicContact CD2-CD1 3.85Å; L90-L192 HydrophobicContact CD1-CD1 3.9Å; L90-L192 HydrophobicContact CD1-CG 4.22Å; L90-L192 HydrophobicContact CD2-CD1 4.46Å |
| 91 | V | 90.5 | Very high | 85.8 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.6 | 176 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | R99 T101 I191 L192 | V91-R99 HydrophobicContact CG1-CB 4.21Å; V91-T101 HydrophobicContact CG2-CG2 4.36Å; V91-I191 HydrophobicContact CB-CG1 4.32Å; V91-I191 HydrophobicContact CG1-CG1 4.06Å; V91-I191 HydrophobicContact CG1-CG2 4.35Å; V91-L192 PolarHBondContact O-N 2.59Å |
| 92 | I | 89.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.2 | 178.4 | -56.8 | -176.3 | 0 | 0 | 0 | 108.8 | L90 R99 K100 L102 I117 L131 L192 L194 | L90-I92 HydrophobicContact CD2-CD1 3.87Å; L90-I92 HydrophobicContact CD2-CG1 3.9Å; L90-I92 HydrophobicContact CG-CD1 4.39Å; L90-I92 HydrophobicContact CG-CG1 3.91Å; I92-R99 CarbonylContact O-C 3.6Å; I92-R99 WeakPolarHBondContact O-CA 3.43Å; I92-K100 PolarHBondContact N-O 2.74Å; I92-K100 PolarHBondContact O-N 3.06Å; I92-L102 HydrophobicContact CD1-CD1 3.84Å; I92-I117 HydrophobicContact CD1-CB 4.15Å; I92-I117 HydrophobicContact CD1-CD1 3.58Å; I92-I117 HydrophobicContact CD1-CG1 3.65Å; I92-I117 HydrophobicContact CD1-CG2 3.38Å; I92-L131 HydrophobicContact CD1-CD2 4.35Å; I92-L192 CarbonylContact C-O 3.59Å; I92-L192 WeakPolarHBondContact CA-O 3.42Å; I92-L194 HydrophobicContact CG2-CB 3.66Å |
| 93 | Q | 87.1 | Confident | 85.7 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121 | 170.8 | -175.9 | 168.1 | -17.5 | 0 | 0 | 109.3 | T98 R99 I191 L192 L193 L194 | Q93-T98 WeakPolarHBondContact CA-O 3.28Å; Q93-R99 HydrophobicContact CB-CG 4.43Å; Q93-R99 HydrophobicContact CG-CG 4.46Å; Q93-I191 HydrophobicContact CB-CG2 3.78Å; Q93-L192 PolarHBondContact N-O 3.33Å; Q93-L193 HydrophobicContact CB-CD2 4.06Å; Q93-L193 HydrophobicContact CG-CD2 4.02Å; Q93-L193 WeakPolarHBondContact O-CA 3.46Å; Q93-L194 PolarHBondContact O-N 2.99Å |
| 94 | T | 81.8 | Confident | 85.7 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | trans | -85.5 | 170.5 | 175.2 | 38.7 | 0 | 0 | 0 | 0 | 111.2 | D96 E97 T98 I121 L194 | T94-D96 WeakPolarHBondContact CB-OD1 3.36Å; T94-D96 PolarHBondContact O-N 3.2Å; T94-D96 VanDerWaalsContact O-N 3.12Å; T94-D96 PolarHBondContact OG1-OD1 3.49Å; T94-E97 PolarHBondContact O-N 3.47Å; T94-T98 PolarHBondContact N-O 2.86Å; T94-T98 PolarHBondContact OG1-O 3.01Å; T94-T98 VanDerWaalsContact OG1-O 3.09Å; T94-T98 PolarHBondContact OG1-OG1 3.31Å; T94-I121 HydrophobicContact CG2-CD1 4.12Å; T94-I121 HydrophobicContact CG2-CG2 4.38Å; T94-L194 HydrophobicContact CG2-CD2 4.23Å | ||
| 95 | M | 71.9 | Confident | 85.8 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.8 | -177.1 | -68.2 | -60.9 | -55.9 | 0 | 0 | 114.5 | E97 R195 | M95-E97 VanDerWaalsContact C-N 3.26Å; M95-R195 HydrophobicContact SD-CB 4.39Å; M95-R195 HydrophobicContact SD-CG 3.83Å |
| 96 | D | 72.5 | Confident | 85.9 | Confident | 101 Ų | 101 | 56 Ų | 56 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 12.3 | 174.1 | 61.6 | -8.5 | 0 | 0 | 0 | 112.6 | T94 T98 | T94-D96 WeakPolarHBondContact CB-OD1 3.36Å; T94-D96 PolarHBondContact O-N 3.2Å; T94-D96 VanDerWaalsContact O-N 3.12Å; T94-D96 PolarHBondContact OG1-OD1 3.49Å; D96-T98 HydrophobicContact CB-CG2 4.36Å; D96-T98 VanDerWaalsContact CG-CG2 3.48Å; D96-T98 VanDerWaalsContact CG-OG1 3.22Å; D96-T98 PolarHBondContact O-N 2.6Å; D96-T98 WeakPolarHBondContact OD1-CB 3.41Å; D96-T98 PolarHBondContact OD1-N 2.97Å; D96-T98 VanDerWaalsContact OD1-N 3.07Å; D96-T98 PolarHBondContact OD1-OG1 3.49Å; D96-T98 VanDerWaalsContact OD2-CG2 3.3Å; D96-T98 WeakPolarHBondContact OD2-CG2 3.37Å; D96-T98 PolarHBondContact OD2-OG1 3.49Å |
| 97 | E | 75.3 | Confident | 85.9 | Confident | 154 Ų | 154 | 57 Ų | 57 | 72% | 0.72 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 62.4 | 5.2 | -174.3 | -55.2 | -178.5 | 168.1 | 0 | 0 | 114.6 | T94 M95 | T94-E97 PolarHBondContact O-N 3.47Å; M95-E97 VanDerWaalsContact C-N 3.26Å |
| 98 | T | 82.6 | Confident | 85.9 | Confident | 59 Ų | 59 | 58 Ų | 58 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | trans | -74.2 | 136.8 | 176.7 | 71.4 | 0 | 0 | 0 | 0 | 110.3 | Q93 T94 D96 | Q93-T98 WeakPolarHBondContact CA-O 3.28Å; T94-T98 PolarHBondContact N-O 2.86Å; T94-T98 PolarHBondContact OG1-O 3.01Å; T94-T98 VanDerWaalsContact OG1-O 3.09Å; T94-T98 PolarHBondContact OG1-OG1 3.31Å; D96-T98 HydrophobicContact CB-CG2 4.36Å; D96-T98 VanDerWaalsContact CG-CG2 3.48Å; D96-T98 VanDerWaalsContact CG-OG1 3.22Å; D96-T98 PolarHBondContact O-N 2.6Å; D96-T98 WeakPolarHBondContact OD1-CB 3.41Å; D96-T98 PolarHBondContact OD1-N 2.97Å; D96-T98 VanDerWaalsContact OD1-N 3.07Å; D96-T98 PolarHBondContact OD1-OG1 3.49Å; D96-T98 VanDerWaalsContact OD2-CG2 3.3Å; D96-T98 WeakPolarHBondContact OD2-CG2 3.37Å; D96-T98 PolarHBondContact OD2-OG1 3.49Å | ||
| 99 | R | 86.9 | Confident | 86 | Confident | 163 Ų | 163 | 59.1 Ų | 59.1 | 62% | 0.615 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.9 | 179.4 | -62.8 | 179 | -177.7 | -177.3 | -0.5 | 108.8 | V91 I92 Q93 | V91-R99 HydrophobicContact CG1-CB 4.21Å; I92-R99 CarbonylContact O-C 3.6Å; I92-R99 WeakPolarHBondContact O-CA 3.43Å; Q93-R99 HydrophobicContact CB-CG 4.43Å; Q93-R99 HydrophobicContact CG-CG 4.46Å |
| 100 | K | 85 | Confident | 86 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.5 | 175.8 | -68.7 | -175.4 | 177.9 | -178.4 | 0 | 109.4 | I92 L102 I121 | I92-K100 PolarHBondContact N-O 2.74Å; I92-K100 PolarHBondContact O-N 3.06Å; K100-L102 HydrophobicContact CB-CD2 4.48Å; K100-I121 HydrophobicContact CD-CG1 4.15Å |
| 101 | T | 89.9 | Confident | 85.8 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.8 | 172 | -51.9 | 0 | 0 | 0 | 0 | 108.8 | L89 L90 V91 | L89-T101 HydrophobicContact CB-CG2 4.02Å; L89-T101 HydrophobicContact CD2-CG2 4.02Å; L89-T101 HydrophobicContact CG-CG2 4.43Å; L90-T101 CarbonylContact O-C 3.59Å; L90-T101 WeakPolarHBondContact O-CA 3.2Å; V91-T101 HydrophobicContact CG2-CG2 4.36Å |
| 102 | L | 89.3 | Confident | 85.7 | Confident | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.8 | -178.9 | -58.3 | -179.8 | 0 | 0 | 0 | 110.1 | L90 I92 K100 V104 I117 K120 I121 | L90-L102 PolarHBondContact N-O 3.05Å; L90-L102 PolarHBondContact O-N 2.76Å; I92-L102 HydrophobicContact CD1-CD1 3.84Å; K100-L102 HydrophobicContact CB-CD2 4.48Å; L102-V104 HydrophobicContact CB-CG1 4.34Å; L102-I117 HydrophobicContact CD1-CB 4.29Å; L102-I117 HydrophobicContact CD1-CG1 4.17Å; L102-I117 HydrophobicContact CD1-CG2 4.05Å; L102-K120 HydrophobicContact CD1-CB 4.48Å; L102-K120 HydrophobicContact CD2-CB 4.14Å; L102-K120 HydrophobicContact CD2-CD 4.07Å; L102-I121 HydrophobicContact CD1-CD1 4.29Å; L102-I121 HydrophobicContact CD1-CG1 4.31Å |
| 103 | Q | 89 | Confident | 85.7 | Confident | 110 Ų | 110 | 61 Ų | 61 | 51% | 0.514 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 121.8 | 164 | -74.5 | 179.2 | -5.3 | 0 | 0 | 109.5 | R88 L89 K120 | R88-Q103 WeakPolarHBondContact O-CA 3.32Å; L89-Q103 HydrophobicContact CD2-CG 3.55Å; Q103-K120 PolarHBondContact O-NZ 3.01Å |
| 104 | V | 89.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 110.4 | L87 R88 L90 L102 L113 I117 L181 | L87-V104 WeakPolarHBondContact CA-O 3.26Å; R88-V104 HydrophobicContact CG-CG2 3.77Å; R88-V104 PolarHBondContact N-O 3.42Å; R88-V104 PolarHBondContact O-N 2.94Å; L90-V104 HydrophobicContact CB-CG1 4.27Å; L90-V104 HydrophobicContact CB-CG2 3.59Å; L90-V104 HydrophobicContact CD2-CG1 4.21Å; L90-V104 HydrophobicContact CD2-CG2 4.16Å; L102-V104 HydrophobicContact CB-CG1 4.34Å; V104-L113 HydrophobicContact CB-CD2 3.85Å; V104-L113 HydrophobicContact CG1-CD2 4.4Å; V104-I117 HydrophobicContact CG1-CG1 4.18Å; V104-L181 HydrophobicContact CG2-CD1 4.39Å |
| 105 | D | 89.8 | Confident | 86 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113.4 | 177.8 | -175.4 | -18.7 | 0 | 0 | 0 | 110.1 | K86 S107 K108 L113 | K86-D105 WeakPolarHBondContact CB-OD1 3.43Å; D105-S107 PolarHBondContact O-N 3.02Å; D105-S107 WeakPolarHBondContact OD1-CB 3.41Å; D105-S107 PolarHBondContact OD1-N 3.47Å; D105-S107 PolarHBondContact OD1-OG 3.45Å; D105-S107 PolarHBondContact OD2-OG 3.34Å; D105-K108 HydrophobicContact CB-CB 4.42Å; D105-K108 HydrophobicContact CB-CD 3.97Å; D105-K108 HydrophobicContact CB-CG 3.96Å; D105-K108 PolarHBondContact O-N 3.08Å; D105-K108 VanDerWaalsContact OD2-CE 3.3Å; D105-K108 WeakPolarHBondContact OD2-CE 3.4Å; D105-L113 WeakPolarHBondContact O-CD2 3.34Å |
| 106 | D | 89.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.3 | -177.3 | -170.4 | 60.8 | 0 | 0 | 0 | 113.5 | W63 K86 R88 K108 R182 | W63-D106 PolarHBondContact NE1-OD2 2.86Å; K86-D106 WeakPolarHBondContact O-CB 3.46Å; K86-D106 PolarHBondContact O-N 3.21Å; R88-D106 WeakPolarHBondContact CD-OD1 3.49Å; R88-D106 HydrophobicContact CG-CB 4.02Å; R88-D106 IonicContact CZ-OD1 3.74Å; R88-D106 IonicContact NE-OD1 3.45Å; R88-D106 IonicContact NH1-OD1 3.72Å; R88-D106 PolarHBondContact NH1-OD1 3.47Å; D106-K108 VanDerWaalsContact C-N 3.34Å; D106-R182 IonicContact OD1-NE 2.8Å; D106-R182 IonicContact OD1-NH2 3.38Å; D106-R182 IonicContact OD2-CZ 2.79Å; D106-R182 IonicContact OD2-NE 3.8Å; D106-R182 PolarHBondContact OD2-NE 2.91Å; D106-R182 IonicContact OD2-NH2 2.9Å; D106-R182 PolarHBondContact OD2-NH2 3.24Å |
| 107 | S | 88 | Confident | 87.5 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.6 | 177.6 | 71.6 | 0 | 0 | 0 | 0 | 113.4 | D105 | D105-S107 PolarHBondContact O-N 3.02Å; D105-S107 WeakPolarHBondContact OD1-CB 3.41Å; D105-S107 PolarHBondContact OD1-N 3.47Å; D105-S107 PolarHBondContact OD1-OG 3.45Å; D105-S107 PolarHBondContact OD2-OG 3.34Å |
| 108 | K | 89.3 | Confident | 88.1 | Confident | 82 Ų | 82 | 49.1 Ų | 49.1 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -85.8 | 151.9 | -175.6 | -68.8 | -170.5 | -177.4 | -178.5 | 0 | 112.7 | D105 D106 E112 L113 | D105-K108 HydrophobicContact CB-CB 4.42Å; D105-K108 HydrophobicContact CB-CD 3.97Å; D105-K108 HydrophobicContact CB-CG 3.96Å; D105-K108 PolarHBondContact O-N 3.08Å; D105-K108 VanDerWaalsContact OD2-CE 3.3Å; D105-K108 WeakPolarHBondContact OD2-CE 3.4Å; D106-K108 VanDerWaalsContact C-N 3.34Å; K108-E112 WeakPolarHBondContact CA-OE2 3.43Å; K108-E112 HydrophobicContact CB-CB 4.09Å; K108-E112 WeakPolarHBondContact CB-OE2 3.22Å; K108-E112 HydrophobicContact CD-CB 4.29Å; K108-L113 HydrophobicContact CB-CD2 3.93Å; K108-L113 HydrophobicContact CB-CG 4.04Å |
| 109 | T | 90.5 | Very high | 88.2 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -73.3 | 158.1 | 175.5 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | S111 E112 L113 K179 | T109-S111 PolarHBondContact O-N 2.86Å; T109-S111 VanDerWaalsContact O-N 3.17Å; T109-E112 PolarHBondContact N-OE2 3.4Å; T109-E112 PolarHBondContact O-N 3.49Å; T109-E112 WeakPolarHBondContact OG1-CG 3.25Å; T109-E112 PolarHBondContact OG1-OE2 2.86Å; T109-L113 WeakPolarHBondContact O-CG 3.46Å; T109-L113 PolarHBondContact O-N 3.39Å; T109-K179 WeakPolarHBondContact CA-O 3.27Å |
| 110 | V | 89.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55 | -35.8 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L113 M114 L131 L175 P177 K179 L181 | V110-L113 PolarHBondContact O-N 3.47Å; V110-M114 PolarHBondContact O-N 2.97Å; V110-L131 HydrophobicContact CG1-CD1 4.31Å; V110-L175 HydrophobicContact CG1-CB 4.4Å; V110-L175 HydrophobicContact CG2-CB 4.32Å; V110-L175 HydrophobicContact CG2-CD1 4.49Å; V110-P177 PolarHBondContact N-O 2.89Å; V110-K179 WeakPolarHBondContact CG2-O 3.42Å; V110-K179 PolarHBondContact N-O 2.95Å; V110-L181 HydrophobicContact CG2-CD2 3.87Å; V110-L181 HydrophobicContact CG2-CG 4.44Å |
| 111 | S | 85.5 | Confident | 88.1 | Confident | 56 Ų | 56 | 44.7 Ų | 44.7 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.8 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | T109 M114 P177 | T109-S111 PolarHBondContact O-N 2.86Å; T109-S111 VanDerWaalsContact O-N 3.17Å; S111-M114 PolarHBondContact O-N 2.84Å; S111-P177 WeakPolarHBondContact CB-O 3.21Å; S111-P177 PolarHBondContact N-O 3.01Å |
| 112 | E | 88.1 | Confident | 87.6 | Confident | 103 Ų | 103 | 43.7 Ų | 43.7 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.5 | -35.2 | 179.5 | -68.5 | 166.4 | 161.2 | 0 | 0 | 111.4 | K108 T109 M114 F115 | K108-E112 WeakPolarHBondContact CA-OE2 3.43Å; K108-E112 HydrophobicContact CB-CB 4.09Å; K108-E112 WeakPolarHBondContact CB-OE2 3.22Å; K108-E112 HydrophobicContact CD-CB 4.29Å; T109-E112 PolarHBondContact N-OE2 3.4Å; T109-E112 PolarHBondContact O-N 3.49Å; T109-E112 WeakPolarHBondContact OG1-CG 3.25Å; T109-E112 PolarHBondContact OG1-OE2 2.86Å; E112-M114 VanDerWaalsContact C-N 3.28Å; E112-M114 PolarHBondContact O-N 3.47Å; E112-F115 PolarHBondContact O-N 3.33Å |
| 113 | L | 89.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -35.2 | 174.4 | -71.2 | -178.8 | 0 | 0 | 0 | 111.8 | V104 D105 K108 T109 V110 F115 T116 I117 L181 | V104-L113 HydrophobicContact CB-CD2 3.85Å; V104-L113 HydrophobicContact CG1-CD2 4.4Å; D105-L113 WeakPolarHBondContact O-CD2 3.34Å; K108-L113 HydrophobicContact CB-CD2 3.93Å; K108-L113 HydrophobicContact CB-CG 4.04Å; T109-L113 WeakPolarHBondContact O-CG 3.46Å; T109-L113 PolarHBondContact O-N 3.39Å; V110-L113 PolarHBondContact O-N 3.47Å; L113-F115 VanDerWaalsContact C-N 3.29Å; L113-F115 PolarHBondContact O-N 3.35Å; L113-T116 WeakPolarHBondContact O-CB 3.42Å; L113-T116 PolarHBondContact O-N 3.26Å; L113-I117 HydrophobicContact CB-CD1 4.09Å; L113-I117 WeakPolarHBondContact O-CB 3.42Å; L113-I117 VanDerWaalsContact O-CG1 3.26Å; L113-I117 WeakPolarHBondContact O-CG1 3.33Å; L113-I117 PolarHBondContact O-N 3.42Å; L113-L181 HydrophobicContact CD1-CD1 3.56Å; L113-L181 HydrophobicContact CD1-CG 3.77Å |
| 114 | M | 88.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.5 | -40.9 | 179.8 | -163.9 | 56.5 | 56.8 | 0 | 0 | 112.4 | V110 S111 E112 T116 I117 C118 Y126 S130 L131 L194 | V110-M114 PolarHBondContact O-N 2.97Å; S111-M114 PolarHBondContact O-N 2.84Å; E112-M114 VanDerWaalsContact C-N 3.28Å; E112-M114 PolarHBondContact O-N 3.47Å; M114-T116 VanDerWaalsContact C-N 3.32Å; M114-T116 PolarHBondContact O-N 2.84Å; M114-I117 PolarHBondContact O-N 2.86Å; M114-C118 WeakPolarHBondContact O-CB 3.34Å; M114-C118 PolarHBondContact O-N 2.87Å; M114-C118 PolarHBondContact O-SG 3.44Å; M114-C118 VanDerWaalsContact O-SG 3.4Å; M114-C118 VanDerWaalsContact SD-SG 3.62Å; M114-Y126 VanDerWaalsContact CG-O 3.22Å; M114-Y126 WeakPolarHBondContact CG-O 3.46Å; M114-S130 VanDerWaalsContact CE-CA 3.49Å; M114-L131 HydrophobicContact CE-CD1 4.43Å; M114-L131 HydrophobicContact CE-CD2 4.13Å; M114-L131 HydrophobicContact CE-CG 3.69Å; M114-L194 HydrophobicContact CE-CD1 4.24Å; M114-L194 HydrophobicContact SD-CD1 3.68Å |
| 115 | F | 86.7 | Confident | 85.9 | Confident | 117 Ų | 117 | 47.6 Ų | 47.6 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 173.9 | 178 | -99 | 0 | 0 | 0 | 111.6 | E112 L113 A119 Y126 | E112-F115 PolarHBondContact O-N 3.33Å; L113-F115 VanDerWaalsContact C-N 3.29Å; L113-F115 PolarHBondContact O-N 3.35Å; F115-A119 WeakPolarHBondContact O-CB 3.3Å; F115-A119 PolarHBondContact O-N 3.21Å; F115-Y126 HydrophobicContact CB-CD2 4.18Å; F115-Y126 HydrophobicContact CB-CE2 4.29Å; F115-Y126 AromaticContact CD2-CD1 3.9Å; F115-Y126 HydrophobicContact CD2-CD1 3.9Å; F115-Y126 HydrophobicContact CD2-CD2 4.4Å; F115-Y126 AromaticContact CD2-CE1 3.65Å; F115-Y126 HydrophobicContact CD2-CE1 3.65Å; F115-Y126 HydrophobicContact CD2-CE2 4.15Å; F115-Y126 HydrophobicContact CD2-CG 4.28Å; F115-Y126 AromaticContact CD2-CZ 3.78Å; F115-Y126 HydrophobicContact CE2-CE1 4.14Å |
| 116 | T | 87.3 | Confident | 85.5 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.6 | -42.1 | -179.1 | -51.8 | 0 | 0 | 0 | 0 | 112 | L113 M114 K120 | L113-T116 WeakPolarHBondContact O-CB 3.42Å; L113-T116 PolarHBondContact O-N 3.26Å; M114-T116 VanDerWaalsContact C-N 3.32Å; M114-T116 PolarHBondContact O-N 2.84Å; T116-K120 WeakPolarHBondContact O-CG 3.37Å; T116-K120 PolarHBondContact O-N 3.15Å; T116-K120 VanDerWaalsContact O-N 3.1Å |
| 117 | I | 88.2 | Confident | 85 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -53.2 | 180 | -71 | 164.2 | 0 | 0 | 0 | 110.1 | L90 I92 L102 V104 L113 M114 A119 K120 I121 L131 L194 | L90-I117 HydrophobicContact CD2-CD1 4.2Å; I92-I117 HydrophobicContact CD1-CB 4.15Å; I92-I117 HydrophobicContact CD1-CD1 3.58Å; I92-I117 HydrophobicContact CD1-CG1 3.65Å; I92-I117 HydrophobicContact CD1-CG2 3.38Å; L102-I117 HydrophobicContact CD1-CB 4.29Å; L102-I117 HydrophobicContact CD1-CG1 4.17Å; L102-I117 HydrophobicContact CD1-CG2 4.05Å; V104-I117 HydrophobicContact CG1-CG1 4.18Å; L113-I117 HydrophobicContact CB-CD1 4.09Å; L113-I117 WeakPolarHBondContact O-CB 3.42Å; L113-I117 VanDerWaalsContact O-CG1 3.26Å; L113-I117 WeakPolarHBondContact O-CG1 3.33Å; L113-I117 PolarHBondContact O-N 3.42Å; M114-I117 PolarHBondContact O-N 2.86Å; I117-A119 PolarHBondContact O-N 2.51Å; I117-K120 PolarHBondContact O-N 2.73Å; I117-I121 HydrophobicContact CG2-CD1 3.64Å; I117-I121 WeakPolarHBondContact O-CB 3.32Å; I117-I121 VanDerWaalsContact O-CG1 3.25Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.42Å; I117-L131 HydrophobicContact CD1-CD1 4.08Å; I117-L194 HydrophobicContact CG2-CD2 4.44Å |
| 118 | C | 86.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | -179.8 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | M114 K120 I121 G122 I123 Y126 | M114-C118 WeakPolarHBondContact O-CB 3.34Å; M114-C118 PolarHBondContact O-N 2.87Å; M114-C118 PolarHBondContact O-SG 3.44Å; M114-C118 VanDerWaalsContact O-SG 3.4Å; M114-C118 VanDerWaalsContact SD-SG 3.62Å; C118-K120 PolarHBondContact O-N 2.69Å; C118-I121 PolarHBondContact O-N 2.88Å; C118-G122 PolarHBondContact O-N 2.67Å; C118-I123 HydrophobicContact CB-CB 3.88Å; C118-I123 HydrophobicContact CB-CG2 4.29Å; C118-I123 PolarHBondContact O-N 3.09Å; C118-Y126 VanDerWaalsContact CB-CB 3.44Å |
| 119 | A | 85.2 | Confident | 84.3 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F115 I117 G122 | F115-A119 WeakPolarHBondContact O-CB 3.3Å; F115-A119 PolarHBondContact O-N 3.21Å; I117-A119 PolarHBondContact O-N 2.51Å; A119-G122 PolarHBondContact O-N 2.85Å |
| 120 | K | 84.7 | Confident | 84.1 | Confident | 113 Ų | 113 | 47.7 Ų | 47.7 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.1 | -29.5 | 176 | -74.4 | -176.2 | -178.4 | -177.6 | 0 | 113.3 | L102 Q103 T116 I117 C118 | L102-K120 HydrophobicContact CD1-CB 4.48Å; L102-K120 HydrophobicContact CD2-CB 4.14Å; L102-K120 HydrophobicContact CD2-CD 4.07Å; Q103-K120 PolarHBondContact O-NZ 3.01Å; T116-K120 WeakPolarHBondContact O-CG 3.37Å; T116-K120 PolarHBondContact O-N 3.15Å; T116-K120 VanDerWaalsContact O-N 3.1Å; I117-K120 PolarHBondContact O-N 2.73Å; C118-K120 PolarHBondContact O-N 2.69Å |
| 121 | I | 84.4 | Confident | 84 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -83.2 | -24.3 | 178.9 | -66.8 | 172.2 | 0 | 0 | 0 | 111.7 | T94 K100 L102 I117 C118 I123 L194 | T94-I121 HydrophobicContact CG2-CD1 4.12Å; T94-I121 HydrophobicContact CG2-CG2 4.38Å; K100-I121 HydrophobicContact CD-CG1 4.15Å; L102-I121 HydrophobicContact CD1-CD1 4.29Å; L102-I121 HydrophobicContact CD1-CG1 4.31Å; I117-I121 HydrophobicContact CG2-CD1 3.64Å; I117-I121 WeakPolarHBondContact O-CB 3.32Å; I117-I121 VanDerWaalsContact O-CG1 3.25Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.42Å; C118-I121 PolarHBondContact O-N 2.88Å; I121-I123 HydrophobicContact CG2-CD1 3.9Å; I121-I123 HydrophobicContact CG2-CG1 4.01Å; I121-L194 HydrophobicContact CD1-CD2 3.58Å |
| 122 | G | 79.5 | Confident | 83.9 | Confident | 64 Ų | 64 | 45 Ų | 45 | 66% | 0.66 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | 23.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C118 A119 | C118-G122 PolarHBondContact O-N 2.67Å; A119-G122 PolarHBondContact O-N 2.85Å |
| 123 | I | 79.6 | Confident | 83.7 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 18% | 0.179 | 24% | 0.237 | C | C | . | . | trans | -95.4 | 118.4 | 177.4 | -61.4 | 171.7 | 0 | 0 | 0 | 108.9 | C118 I121 Y129 L194 | C118-I123 HydrophobicContact CB-CB 3.88Å; C118-I123 HydrophobicContact CB-CG2 4.29Å; C118-I123 PolarHBondContact O-N 3.09Å; I121-I123 HydrophobicContact CG2-CD1 3.9Å; I121-I123 HydrophobicContact CG2-CG1 4.01Å; I123-Y129 HydrophobicContact CD1-CD1 4.3Å; I123-Y129 HydrophobicContact CD1-CE1 4.08Å; I123-Y129 HydrophobicContact CG2-CD2 3.74Å; I123-Y129 HydrophobicContact CG2-CE2 3.46Å; I123-Y129 VanDerWaalsContact CG2-CE2 3.46Å; I123-Y129 HydrophobicContact CG2-CG 4.49Å; I123-L194 HydrophobicContact CD1-CD2 3.74Å | ||
| 124 | T | 76.3 | Confident | 82.9 | Confident | 119 Ų | 119 | 46.1 Ų | 46.1 | 73% | 0.73 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -75.7 | -34.9 | -179.9 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | Y126 | T124-Y126 PolarHBondContact O-N 3.37Š|
| 125 | N | 76.9 | Confident | 81.4 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | trans | -95.2 | 58.4 | -175.2 | -64.6 | -15.8 | 0 | 0 | 0 | 112.4 | E127 E128 Y129 | N125-E127 PolarHBondContact O-N 2.8Å; N125-E127 VanDerWaalsContact O-N 3.13Å; N125-E128 HydrophobicContact CB-CG 4.4Å; N125-E128 PolarHBondContact O-N 2.97Å; N125-E128 VanDerWaalsContact O-N 3.1Å; N125-Y129 VanDerWaalsContact O-CD2 3.31Å; N125-Y129 WeakPolarHBondContact O-CD2 3.31Å | ||
| 126 | Y | 82.2 | Confident | 79.8 | Confident | 72 Ų | 72 | 49 Ų | 49 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -58.2 | -27.9 | -175.6 | 65.8 | -88.9 | 0 | 0 | 0 | 114.2 | M114 F115 C118 T124 E128 Y129 | M114-Y126 VanDerWaalsContact CG-O 3.22Å; M114-Y126 WeakPolarHBondContact CG-O 3.46Å; F115-Y126 HydrophobicContact CB-CD2 4.18Å; F115-Y126 HydrophobicContact CB-CE2 4.29Å; F115-Y126 AromaticContact CD2-CD1 3.9Å; F115-Y126 HydrophobicContact CD2-CD1 3.9Å; F115-Y126 HydrophobicContact CD2-CD2 4.4Å; F115-Y126 AromaticContact CD2-CE1 3.65Å; F115-Y126 HydrophobicContact CD2-CE1 3.65Å; F115-Y126 HydrophobicContact CD2-CE2 4.15Å; F115-Y126 HydrophobicContact CD2-CG 4.28Å; F115-Y126 AromaticContact CD2-CZ 3.78Å; F115-Y126 HydrophobicContact CE2-CE1 4.14Å; C118-Y126 VanDerWaalsContact CB-CB 3.44Å; T124-Y126 PolarHBondContact O-N 3.37Å; Y126-E128 PolarHBondContact O-N 2.95Å; Y126-Y129 PolarHBondContact O-N 3.45Å |
| 127 | E | 77.3 | Confident | 77.9 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -66.1 | -21 | 179.4 | -56.4 | -175.2 | 148.4 | 0 | 0 | 113.4 | N125 Y198 R404 | N125-E127 PolarHBondContact O-N 2.8Å; N125-E127 VanDerWaalsContact O-N 3.13Å; E127-Y198 VanDerWaalsContact O-CD2 3.25Å; E127-Y198 WeakPolarHBondContact O-CD2 3.36Å; E127-R404 WeakPolarHBondContact OE1-CD 3.43Å; E127-R404 IonicContact OE1-CZ 3.64Å; E127-R404 IonicContact OE1-NE 3.77Å; E127-R404 IonicContact OE1-NH1 2.75Å; E127-R404 PolarHBondContact OE1-NH1 3.48Å |
| 128 | E | 81.4 | Confident | 75.6 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -87.4 | -10.3 | 179.4 | -66.9 | -176.5 | 179.6 | 0 | 0 | 112.8 | N125 Y126 R196 K197 Y198 Y200 S201 | N125-E128 HydrophobicContact CB-CG 4.4Å; N125-E128 PolarHBondContact O-N 2.97Å; N125-E128 VanDerWaalsContact O-N 3.1Å; Y126-E128 PolarHBondContact O-N 2.95Å; E128-R196 HydrophobicContact CB-CG 4.13Å; E128-R196 CarbonylContact O-C 3.43Å; E128-R196 WeakPolarHBondContact O-CA 3.44Å; E128-R196 WeakPolarHBondContact O-CG 3.47Å; E128-R196 IonicContact OE1-NH2 2.71Å; E128-R196 IonicContact OE2-CZ 3.05Å; E128-R196 IonicContact OE2-NE 3.91Å; E128-R196 PolarHBondContact OE2-NE 2.95Å; E128-R196 IonicContact OE2-NH2 3.21Å; E128-R196 PolarHBondContact OE2-NH2 3.29Å; E128-K197 PolarHBondContact O-N 3.49Å; E128-Y198 WeakPolarHBondContact CB-O 3.19Å; E128-Y198 WeakPolarHBondContact CG-O 3.42Å; E128-Y198 PolarHBondContact O-N 3.49Å; E128-Y198 VanDerWaalsContact O-N 3.11Å; E128-Y200 WeakPolarHBondContact OE1-CB 3.45Å; E128-S201 WeakPolarHBondContact OE1-CB 3.33Å; E128-S201 PolarHBondContact OE1-N 2.92Å; E128-S201 PolarHBondContact OE1-OG 3.25Å |
| 129 | Y | 83.1 | Confident | 73.7 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 24% | 0.243 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 150.9 | -175.9 | -70.3 | -101.7 | 0 | 0 | 0 | 111.8 | I123 N125 Y126 L194 R195 R196 | I123-Y129 HydrophobicContact CD1-CD1 4.3Å; I123-Y129 HydrophobicContact CD1-CE1 4.08Å; I123-Y129 HydrophobicContact CG2-CD2 3.74Å; I123-Y129 HydrophobicContact CG2-CE2 3.46Å; I123-Y129 VanDerWaalsContact CG2-CE2 3.46Å; I123-Y129 HydrophobicContact CG2-CG 4.49Å; N125-Y129 VanDerWaalsContact O-CD2 3.31Å; N125-Y129 WeakPolarHBondContact O-CD2 3.31Å; Y126-Y129 PolarHBondContact O-N 3.45Å; Y129-L194 HydrophobicContact CD1-CD1 4.33Å; Y129-L194 HydrophobicContact CD1-CG 4.15Å; Y129-R195 WeakPolarHBondContact CA-O 3.49Å; Y129-R196 HydrophobicContact CD1-CB 4.23Å; Y129-R196 HydrophobicContact CE1-CB 4.05Å; Y129-R196 HydrophobicContact CE2-CG 4.34Å |
| 130 | S | 84.8 | Confident | 71.7 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 7% | 0.07 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 165.8 | 174.6 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | M114 R195 | M114-S130 VanDerWaalsContact CE-CA 3.49Å; S130-R195 PolarHBondContact N-O 3.43Å; S130-R195 PolarHBondContact O-N 3Å; S130-R195 VanDerWaalsContact O-O 3.08Å |
| 131 | L | 87.5 | Confident | 69.5 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.8 | 176.1 | -60.4 | 174.9 | 0 | 0 | 0 | 110.3 | I92 V110 M114 I117 L175 L181 L192 L193 L194 | I92-L131 HydrophobicContact CD1-CD2 4.35Å; V110-L131 HydrophobicContact CG1-CD1 4.31Å; M114-L131 HydrophobicContact CE-CD1 4.43Å; M114-L131 HydrophobicContact CE-CD2 4.13Å; M114-L131 HydrophobicContact CE-CG 3.69Å; I117-L131 HydrophobicContact CD1-CD1 4.08Å; L131-L175 HydrophobicContact CB-CD1 3.9Å; L131-L175 HydrophobicContact CB-CG 4.38Å; L131-L175 HydrophobicContact CD1-CD1 4.49Å; L131-L175 PolarHBondContact O-N 2.86Å; L131-L181 HydrophobicContact CD1-CD2 4.29Å; L131-L192 HydrophobicContact CB-CB 4.49Å; L131-L192 HydrophobicContact CB-CD1 4.22Å; L131-L192 HydrophobicContact CD1-CD1 3.73Å; L131-L192 HydrophobicContact CD2-CB 4.42Å; L131-L192 HydrophobicContact CG-CD1 4.43Å; L131-L193 CarbonylContact C-O 2.98Å; L131-L193 WeakPolarHBondContact CA-O 3.23Å; L131-L194 HydrophobicContact CD2-CB 4.5Å; L131-L194 HydrophobicContact CD2-CD1 4.02Å |
| 132 | I | 84.8 | Confident | 67.5 | Low | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.7 | 173.6 | -61.6 | 164.3 | 0 | 0 | 0 | 108.1 | F172 W174 L193 R195 | I132-F172 HydrophobicContact CD1-CB 3.87Å; I132-F172 HydrophobicContact CD1-CD1 3.95Å; I132-F172 HydrophobicContact CD1-CG 3.93Å; I132-F172 HydrophobicContact CG1-CB 4.17Å; I132-F172 HydrophobicContact CG2-CB 3.99Å; I132-F172 HydrophobicContact CG2-CD1 4.16Å; I132-W174 HydrophobicContact CD1-CD2 4.33Å; I132-W174 HydrophobicContact CD1-CE3 4.02Å; I132-W174 HydrophobicContact CD1-CH2 3.67Å; I132-W174 HydrophobicContact CD1-CZ2 3.95Å; I132-W174 HydrophobicContact CD1-CZ3 3.68Å; I132-W174 HydrophobicContact CG1-CD2 3.8Å; I132-W174 HydrophobicContact CG1-CE3 3.39Å; I132-W174 HydrophobicContact CG1-CH2 4.01Å; I132-W174 HydrophobicContact CG1-CZ2 4.33Å; I132-W174 HydrophobicContact CG1-CZ3 3.5Å; I132-L193 HydrophobicContact CB-CB 4.08Å; I132-L193 PolarHBondContact N-O 3.43Å; I132-L193 PolarHBondContact O-N 3.37Å; I132-R195 HydrophobicContact CD1-CB 3.52Å; I132-R195 HydrophobicContact CD1-CG 4.15Å; I132-R195 HydrophobicContact CG1-CB 4.46Å |
| 133 | R | 83.1 | Confident | 65.6 | Low | 76 Ų | 76 | 83 Ų | 83 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.3 | 167.6 | -171.1 | -179.6 | -175.3 | 159.6 | 15.3 | 108.8 | S135 N173 L175 E190 L192 | R133-S135 PolarHBondContact O-N 2.94Å; R133-N173 HydrophobicContact CB-CB 4.29Å; R133-N173 PolarHBondContact N-O 2.99Å; R133-L175 HydrophobicContact CB-CD2 4.49Å; R133-E190 WeakPolarHBondContact CG-OE1 3.5Å; R133-E190 IonicContact CZ-OE1 2.89Å; R133-E190 IonicContact CZ-OE2 3.47Å; R133-E190 IonicContact NE-OE1 2.76Å; R133-E190 PolarHBondContact NE-OE1 3.25Å; R133-E190 IonicContact NE-OE2 3.21Å; R133-E190 IonicContact NH2-OE1 3.45Å; R133-E190 PolarHBondContact NH2-OE1 3.45Å; R133-E190 IonicContact NH2-OE2 2.81Å; R133-E190 PolarHBondContact NH2-OE2 3.26Å; R133-E190 VanDerWaalsContact NH2-OE2 3.14Å; R133-L192 HydrophobicContact CB-CD2 4.35Å |
| 134 | P | 71.5 | Confident | 63.9 | Low | 52 Ų | 52 | 88 Ų | 88 | 34% | 0.338 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 128.8 | 172.5 | 24.5 | -29.6 | 0 | 0 | 0 | 108.8 | I191 L193 | P134-I191 WeakPolarHBondContact CD-O 3.2Å; P134-I191 WeakPolarHBondContact CG-O 3.37Å; P134-L193 HydrophobicContact CB-CD1 3.92Å; P134-L193 HydrophobicContact CG-CD1 4.49Å |
| 135 | S | 57.6 | Low | 61.8 | Low | 66 Ų | 66 | 87.9 Ų | 87.9 | 46% | 0.462 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 127.7 | 176.6 | -169.3 | 0 | 0 | 0 | 0 | 109 | R133 E137 | R133-S135 PolarHBondContact O-N 2.94Å; S135-E137 PolarHBondContact O-N 2.97Å |
| 136 | D | 54 | Low | 60 | Low | 120 Ų | 120 | 92.6 Ų | 92.6 | 64% | 0.642 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 126.5 | 168 | -74 | -29.4 | 0 | 0 | 0 | 109 | D138 E139 | D136-D138 PolarHBondContact O-N 2.89Å; D136-E139 PolarHBondContact O-N 3.46Å |
| 137 | E | 46.9 | Very low | 57.7 | Low | 149 Ų | 149 | 100.8 Ų | 100.8 | 70% | 0.696 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -23.4 | 177.5 | -77.4 | -90.4 | 110 | 0 | 0 | 112.4 | S135 K140 | S135-E137 PolarHBondContact O-N 2.97Å; E137-K140 IonicContact OE1-NZ 3.6Å; E137-K140 PolarHBondContact OE1-NZ 2.88Å |
| 138 | D | 41.1 | Very low | 55.9 | Low | 134 Ų | 134 | 107.2 Ų | 107.2 | 72% | 0.717 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -24.4 | -175.2 | -72.5 | -32.7 | 0 | 0 | 0 | 115.1 | D136 K140 | D136-D138 PolarHBondContact O-N 2.89Å; D138-K140 VanDerWaalsContact C-N 3.34Å |
| 139 | E | 45.8 | Very low | 53.7 | Low | 141 Ų | 141 | 110.3 Ų | 110.3 | 66% | 0.659 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -74.6 | -24.5 | 178 | -89.5 | -166.7 | 152.8 | 0 | 0 | 112.9 | D136 M141 R142 | D136-E139 PolarHBondContact O-N 3.46Å; E139-M141 PolarHBondContact O-N 3.45Å; E139-M141 VanDerWaalsContact O-N 3.15Å; E139-R142 PolarHBondContact O-N 3.44Å |
| 140 | K | 44 | Very low | 51.3 | Low | 107 Ų | 107 | 119.6 Ų | 119.6 | 47% | 0.465 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -62.6 | -19.8 | 177.6 | -72.7 | 176.2 | -177.5 | 167.1 | 0 | 113.1 | E137 D138 | E137-K140 IonicContact OE1-NZ 3.6Å; E137-K140 PolarHBondContact OE1-NZ 2.88Å; D138-K140 VanDerWaalsContact C-N 3.34Å |
| 141 | M | 38.5 | Very low | 49.1 | Very low | 162 Ų | 162 | 122.9 Ų | 122.9 | 80% | 0.798 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -89.4 | -20.5 | -179.1 | -148.7 | 107.4 | -177 | 0 | 0 | 113.6 | E139 | E139-M141 PolarHBondContact O-N 3.45Å; E139-M141 VanDerWaalsContact O-N 3.15Å |
| 142 | R | 41.2 | Very low | 47.1 | Very low | 209 Ų | 209 | 128.2 Ų | 128.2 | 79% | 0.789 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -16.8 | -167.8 | -72.6 | -176.6 | 177 | 179.7 | 1.3 | 115.3 | E139 | E139-R142 PolarHBondContact O-N 3.44Š|
| 143 | T | 39.9 | Very low | 45.4 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -94.8 | 5 | -177.1 | 44.5 | 0 | 0 | 0 | 0 | 114.4 | T145 | T143-T145 VanDerWaalsContact C-N 3.34Å; T143-T145 PolarHBondContact O-N 2.86Å |
| 144 | L | 43.9 | Very low | 43.8 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 4.7 | -175.7 | -75.9 | 164.5 | 0 | 0 | 0 | 115.8 | ||
| 145 | T | 33.1 | Very low | 42.9 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 72% | 0.718 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 5.1 | -164.7 | 50.6 | 0 | 0 | 0 | 0 | 117.8 | T143 | T143-T145 VanDerWaalsContact C-N 3.34Å; T143-T145 PolarHBondContact O-N 2.86Å |
| 146 | L | 37.9 | Very low | 42.9 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -118.7 | 101.9 | -175.2 | -77.1 | 159.4 | 0 | 0 | 0 | 115.2 | ||
| 147 | R | 34 | Very low | 43 | Very low | 245 Ų | 245 | 136.9 Ų | 136.9 | 93% | 0.925 | 68% | 0.683 | S | S | * | * | trans | 49.1 | 100.3 | 149.4 | -72.9 | -178.6 | 167.3 | -174.2 | -3 | 118.4 | ||||
| 148 | K | 40.1 | Very low | 43.5 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 76% | 0.761 | 68% | 0.678 | S | S | * | * | trans | -130.3 | 125 | 162.6 | -112.2 | 171.7 | 179.8 | 169.9 | 0 | 112.1 | I153 | K148-I153 HydrophobicContact CB-CD1 4.26Š| ||
| 149 | G | 35.3 | Very low | 44.3 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | trans | -64.4 | 143 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G151 I153 | G149-G151 PolarHBondContact O-N 3.3Å; G149-I153 VanDerWaalsContact O-CD1 3.24Å; G149-I153 WeakPolarHBondContact O-CD1 3.4Å | ||
| 150 | R | 32.7 | Very low | 44.9 | Very low | 258 Ų | 258 | 129.3 Ų | 129.3 | 97% | 0.974 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -64.6 | 118.7 | -176.2 | -70.4 | 172.6 | 167.9 | 167.7 | -4.8 | 111.4 | ||
| 151 | G | 38.2 | Very low | 45.6 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 168.6 | -53.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G149 | G149-G151 PolarHBondContact O-N 3.3Š|
| 152 | S | 44.6 | Very low | 46.4 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -112.8 | 13.2 | -167 | -168 | 0 | 0 | 0 | 0 | 115.3 | ||
| 153 | I | 49.6 | Very low | 47.2 | Very low | 52 Ų | 52 | 116.1 Ų | 116.1 | 27% | 0.267 | 59% | 0.587 | S | S | . | * | trans | -85.9 | -28.8 | -157.9 | -70.2 | 168.2 | 0 | 0 | 0 | 115.3 | K148 G149 N155 L156 E157 | K148-I153 HydrophobicContact CB-CD1 4.26Å; G149-I153 VanDerWaalsContact O-CD1 3.24Å; G149-I153 WeakPolarHBondContact O-CD1 3.4Å; I153-N155 VanDerWaalsContact C-N 3.29Å; I153-N155 PolarHBondContact O-N 3.49Å; I153-N155 VanDerWaalsContact O-N 3.14Å; I153-L156 PolarHBondContact O-N 3.28Å; I153-E157 HydrophobicContact CG2-CG 3.71Å; I153-E157 VanDerWaalsContact CG2-OE1 3.3Å; I153-E157 WeakPolarHBondContact CG2-OE1 3.22Å; I153-E157 PolarHBondContact O-N 3.35Å | ||
| 154 | R | 48.8 | Very low | 47.9 | Very low | 218 Ų | 218 | 117.2 Ų | 117.2 | 82% | 0.823 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.7 | -33.9 | -172.4 | -84.6 | -176.2 | 178 | 173.7 | 0.2 | 114.5 | K158 | R154-K158 PolarHBondContact O-N 3.47Å |
| 155 | N | 53.4 | Low | 48.5 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -81.9 | -26 | 179.9 | -72.5 | -24.6 | 0 | 0 | 0 | 112.8 | I153 L159 K318 | I153-N155 VanDerWaalsContact C-N 3.29Å; I153-N155 PolarHBondContact O-N 3.49Å; I153-N155 VanDerWaalsContact O-N 3.14Å; N155-L159 PolarHBondContact O-N 3.46Å; N155-L159 VanDerWaalsContact O-N 3.12Å; N155-K318 PolarHBondContact O-NZ 3.22Å |
| 156 | L | 57.6 | Low | 49.6 | Very low | 37 Ų | 37 | 113.8 Ų | 113.8 | 19% | 0.194 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -76.2 | -46.2 | 178 | -150.8 | 84.5 | 0 | 0 | 0 | 110.2 | I153 K158 L159 E160 | I153-L156 PolarHBondContact O-N 3.28Å; L156-K158 PolarHBondContact O-N 2.9Å; L156-L159 WeakPolarHBondContact O-CA 3.43Å; L156-L159 VanDerWaalsContact O-CB 3.31Å; L156-L159 WeakPolarHBondContact O-CB 3.35Å; L156-L159 PolarHBondContact O-N 2.88Å; L156-E160 WeakPolarHBondContact O-CB 3.41Å; L156-E160 PolarHBondContact O-N 3.01Å |
| 157 | E | 55.9 | Low | 50.3 | Low | 93 Ų | 93 | 109.1 Ų | 109.1 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.3 | -36 | 173.1 | -76.1 | 179.4 | -177.8 | 0 | 0 | 112.2 | I153 K161 | I153-E157 HydrophobicContact CG2-CG 3.71Å; I153-E157 VanDerWaalsContact CG2-OE1 3.3Å; I153-E157 WeakPolarHBondContact CG2-OE1 3.22Å; I153-E157 PolarHBondContact O-N 3.35Å; E157-K161 VanDerWaalsContact O-CB 3.28Å; E157-K161 WeakPolarHBondContact O-CB 3.31Å; E157-K161 VanDerWaalsContact O-CG 3.25Å; E157-K161 WeakPolarHBondContact O-CG 3.48Å; E157-K161 PolarHBondContact O-N 3.49Å |
| 158 | K | 57.5 | Low | 51.1 | Low | 138 Ų | 138 | 98 Ų | 98 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.7 | -38.1 | 172.7 | -97.6 | -179.7 | 177.4 | 176.1 | 0 | 112.2 | R154 L156 M162 | R154-K158 PolarHBondContact O-N 3.47Å; L156-K158 PolarHBondContact O-N 2.9Å; K158-M162 WeakPolarHBondContact O-CB 3.41Å; K158-M162 WeakPolarHBondContact O-CE 3.48Å; K158-M162 WeakPolarHBondContact O-CG 3.44Å; K158-M162 PolarHBondContact O-N 2.89Å |
| 159 | L | 58.8 | Low | 51.7 | Low | 9 Ų | 9 | 92.4 Ų | 92.4 | 5% | 0.047 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 175.4 | -173.5 | 65 | 0 | 0 | 0 | 109.9 | N155 L156 M162 K163 K318 | N155-L159 PolarHBondContact O-N 3.46Å; N155-L159 VanDerWaalsContact O-N 3.12Å; L156-L159 WeakPolarHBondContact O-CA 3.43Å; L156-L159 VanDerWaalsContact O-CB 3.31Å; L156-L159 WeakPolarHBondContact O-CB 3.35Å; L156-L159 PolarHBondContact O-N 2.88Å; L159-M162 CarbonylContact O-C 3.59Å; L159-M162 PolarHBondContact O-N 3.49Å; L159-M162 VanDerWaalsContact O-N 3.08Å; L159-K163 WeakPolarHBondContact O-CB 2.99Å; L159-K163 PolarHBondContact O-N 3.04Å; L159-K318 HydrophobicContact CD1-CD 3.71Å; L159-K318 HydrophobicContact CD1-CG 3.86Å |
| 160 | E | 58.5 | Low | 52.5 | Low | 118 Ų | 118 | 93.3 Ų | 93.3 | 55% | 0.551 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.1 | -40.8 | -178.7 | -156.9 | 165.3 | -161.8 | 0 | 0 | 111.8 | L156 M162 K163 Q164 | L156-E160 WeakPolarHBondContact O-CB 3.41Å; L156-E160 PolarHBondContact O-N 3.01Å; E160-M162 VanDerWaalsContact C-N 3.31Å; E160-M162 PolarHBondContact O-N 3.44Å; E160-K163 WeakPolarHBondContact O-CB 3.44Å; E160-K163 PolarHBondContact O-N 2.97Å; E160-Q164 PolarHBondContact O-N 3.17Å |
| 161 | K | 58.3 | Low | 53.6 | Low | 122 Ų | 122 | 86.8 Ų | 86.8 | 53% | 0.53 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.9 | -26.9 | 170.9 | -76 | 173.4 | -179.8 | 170.1 | 0 | 114 | E157 K165 | E157-K161 VanDerWaalsContact O-CB 3.28Å; E157-K161 WeakPolarHBondContact O-CB 3.31Å; E157-K161 VanDerWaalsContact O-CG 3.25Å; E157-K161 WeakPolarHBondContact O-CG 3.48Å; E157-K161 PolarHBondContact O-N 3.49Å; K161-K165 WeakPolarHBondContact O-CD 3.2Å; K161-K165 VanDerWaalsContact O-CG 3.3Å; K161-K165 WeakPolarHBondContact O-CG 3.36Å |
| 162 | M | 55.3 | Low | 54.8 | Low | 52 Ų | 52 | 85.4 Ų | 85.4 | 26% | 0.256 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -81.5 | -36 | 174.1 | -72.8 | -178.1 | -53 | 0 | 0 | 110.8 | K158 L159 E160 K165 L166 L316 K318 | K158-M162 WeakPolarHBondContact O-CB 3.41Å; K158-M162 WeakPolarHBondContact O-CE 3.48Å; K158-M162 WeakPolarHBondContact O-CG 3.44Å; K158-M162 PolarHBondContact O-N 2.89Å; L159-M162 CarbonylContact O-C 3.59Å; L159-M162 PolarHBondContact O-N 3.49Å; L159-M162 VanDerWaalsContact O-N 3.08Å; E160-M162 VanDerWaalsContact C-N 3.31Å; E160-M162 PolarHBondContact O-N 3.44Å; M162-K165 WeakPolarHBondContact O-CA 3.43Å; M162-K165 WeakPolarHBondContact O-CB 3.5Å; M162-K165 PolarHBondContact O-N 3.37Å; M162-L166 PolarHBondContact O-N 3.13Å; M162-L316 HydrophobicContact CB-CD2 4.2Å; M162-K318 VanDerWaalsContact CE-CE 3.47Å |
| 163 | K | 57.9 | Low | 56.1 | Low | 28 Ų | 28 | 84.5 Ų | 84.5 | 12% | 0.122 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 172.4 | -161.8 | -174.5 | -166 | -158.2 | 0 | 111.3 | L159 E160 K165 L166 H167 D170 E387 | L159-K163 WeakPolarHBondContact O-CB 2.99Å; L159-K163 PolarHBondContact O-N 3.04Å; E160-K163 WeakPolarHBondContact O-CB 3.44Å; E160-K163 PolarHBondContact O-N 2.97Å; K163-K165 PolarHBondContact O-N 3.02Å; K163-K165 VanDerWaalsContact O-N 3.13Å; K163-L166 PolarHBondContact O-N 3.04Å; K163-L166 VanDerWaalsContact O-N 3.13Å; K163-H167 PolarHBondContact O-N 3.22Å; K163-D170 VanDerWaalsContact CD-OD2 3.26Å; K163-D170 WeakPolarHBondContact CD-OD2 3.47Å; K163-D170 VanDerWaalsContact CE-CG 3.43Å; K163-D170 WeakPolarHBondContact CE-OD2 3.46Å; K163-D170 IonicContact NZ-OD1 3.15Å; K163-D170 PolarHBondContact NZ-OD1 2.9Å; K163-D170 IonicContact NZ-OD2 2.97Å; K163-D170 PolarHBondContact NZ-OD2 3.26Å; K163-E387 VanDerWaalsContact CE-CD 3.47Å; K163-E387 WeakPolarHBondContact CE-OE1 3.48Å; K163-E387 IonicContact NZ-OE1 3.4Å; K163-E387 PolarHBondContact NZ-OE1 2.78Å |
| 164 | Q | 55.6 | Low | 57.5 | Low | 147 Ų | 147 | 84.5 Ų | 84.5 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.1 | -23.8 | 172.6 | -79.5 | 178.8 | -9.3 | 0 | 0 | 113.8 | E160 | E160-Q164 PolarHBondContact O-N 3.17Å |
| 165 | K | 55.8 | Low | 59.1 | Low | 154 Ų | 154 | 74.4 Ų | 74.4 | 67% | 0.67 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -89 | -24.8 | 178.4 | -73.5 | 174.7 | -177.6 | -177.6 | 0 | 113.6 | K161 M162 K163 | K161-K165 WeakPolarHBondContact O-CD 3.2Å; K161-K165 VanDerWaalsContact O-CG 3.3Å; K161-K165 WeakPolarHBondContact O-CG 3.36Å; M162-K165 WeakPolarHBondContact O-CA 3.43Å; M162-K165 WeakPolarHBondContact O-CB 3.5Å; M162-K165 PolarHBondContact O-N 3.37Å; K163-K165 PolarHBondContact O-N 3.02Å; K163-K165 VanDerWaalsContact O-N 3.13Å |
| 166 | L | 55.2 | Low | 60.4 | Low | 30 Ų | 30 | 70.9 Ų | 70.9 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -103.4 | 1.1 | -175 | -109.9 | 86.6 | 0 | 0 | 0 | 114.5 | M162 K163 T168 L316 L331 E344 | M162-L166 PolarHBondContact O-N 3.13Å; K163-L166 PolarHBondContact O-N 3.04Å; K163-L166 VanDerWaalsContact O-N 3.13Å; L166-T168 VanDerWaalsContact C-N 3.31Å; L166-T168 PolarHBondContact O-N 3.36Å; L166-T168 VanDerWaalsContact O-N 3.16Å; L166-L316 HydrophobicContact CD2-CD1 4.4Å; L166-L331 HydrophobicContact CD2-CD2 4.06Å; L166-E344 HydrophobicContact CD2-CG 4.22Å |
| 167 | H | 52.6 | Low | 61.6 | Low | 61 Ų | 61 | 71.7 Ų | 71.7 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40.4 | 55.9 | 174.9 | -69.7 | 172.2 | 0 | 0 | 0 | 113.1 | K163 D169 N226 K269 | K163-H167 PolarHBondContact O-N 3.22Å; H167-D169 PolarHBondContact O-N 3.19Å; H167-N226 WeakPolarHBondContact CB-O 3.47Å; H167-N226 PolarHBondContact ND1-O 3.36Å; H167-K269 WeakPolarHBondContact CE1-CE 3.26Å; H167-K269 PolarHBondContact CE1-NZ 3.34Å; H167-K269 PolarHBondContact NE2-NZ 2.78Å |
| 168 | T | 52.1 | Low | 62.8 | Low | 10 Ų | 10 | 70.2 Ų | 70.2 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | trans | -89.6 | 105.6 | -179.7 | 26.1 | 0 | 0 | 0 | 0 | 108 | L166 D170 L316 | L166-T168 VanDerWaalsContact C-N 3.31Å; L166-T168 PolarHBondContact O-N 3.36Å; L166-T168 VanDerWaalsContact O-N 3.16Å; T168-D170 WeakPolarHBondContact O-CA 3.4Å; T168-D170 VanDerWaalsContact O-CB 3.29Å; T168-D170 WeakPolarHBondContact O-CB 3.31Å; T168-D170 PolarHBondContact O-N 3.46Å; T168-L316 HydrophobicContact CG2-CB 4.35Å | ||
| 169 | D | 53.1 | Low | 64.1 | Low | 59 Ų | 59 | 68.6 Ų | 68.6 | 32% | 0.316 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 25.6 | 20.9 | 171.8 | -131.3 | 6.1 | 0 | 0 | 0 | 121 | H167 E171 F172 | H167-D169 PolarHBondContact O-N 3.19Å; D169-E171 VanDerWaalsContact C-N 3.26Å; D169-E171 PolarHBondContact O-N 3.21Å; D169-F172 WeakPolarHBondContact OD1-CD2 3.36Å; D169-F172 WeakPolarHBondContact OD1-CE2 3.42Å |
| 170 | D | 52.1 | Low | 65.6 | Low | 86 Ų | 86 | 69.1 Ų | 69.1 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -0.2 | -167.2 | -122.9 | -3.7 | 0 | 0 | 0 | 114.6 | K163 T168 E387 | K163-D170 VanDerWaalsContact CD-OD2 3.26Å; K163-D170 WeakPolarHBondContact CD-OD2 3.47Å; K163-D170 VanDerWaalsContact CE-CG 3.43Å; K163-D170 WeakPolarHBondContact CE-OD2 3.46Å; K163-D170 IonicContact NZ-OD1 3.15Å; K163-D170 PolarHBondContact NZ-OD1 2.9Å; K163-D170 IonicContact NZ-OD2 2.97Å; K163-D170 PolarHBondContact NZ-OD2 3.26Å; T168-D170 WeakPolarHBondContact O-CA 3.4Å; T168-D170 VanDerWaalsContact O-CB 3.29Å; T168-D170 WeakPolarHBondContact O-CB 3.31Å; T168-D170 PolarHBondContact O-N 3.46Å; D170-E387 VanDerWaalsContact OD1-OE1 3.13Å |
| 171 | E | 55.4 | Low | 67 | Low | 120 Ų | 120 | 63.5 Ų | 63.5 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -11.3 | -170.7 | -65.6 | -173.9 | 171 | 0 | 0 | 113.3 | D169 | D169-E171 VanDerWaalsContact C-N 3.26Å; D169-E171 PolarHBondContact O-N 3.21Å |
| 172 | F | 62.6 | Low | 68.4 | Low | 51 Ų | 51 | 59.1 Ų | 59.1 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | trans | -108.3 | 106.2 | -172.4 | -53.2 | -54.6 | 0 | 0 | 0 | 111.9 | I132 D169 W174 R195 | I132-F172 HydrophobicContact CD1-CB 3.87Å; I132-F172 HydrophobicContact CD1-CD1 3.95Å; I132-F172 HydrophobicContact CD1-CG 3.93Å; I132-F172 HydrophobicContact CG1-CB 4.17Å; I132-F172 HydrophobicContact CG2-CB 3.99Å; I132-F172 HydrophobicContact CG2-CD1 4.16Å; D169-F172 WeakPolarHBondContact OD1-CD2 3.36Å; D169-F172 WeakPolarHBondContact OD1-CE2 3.42Å; F172-W174 VanDerWaalsContact C-N 3.27Å; F172-W174 HydrophobicContact CB-CZ2 4.43Å; F172-W174 PolarHBondContact O-N 2.83Å; F172-R195 VanDerWaalsContact CE2-NH1 3.28Å | ||
| 173 | N | 71.4 | Confident | 69.8 | Low | 92 Ų | 92 | 61 Ų | 61 | 49% | 0.492 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 80.7 | 171.6 | -167.6 | 11.3 | 0 | 0 | 0 | 110 | R133 L175 | R133-N173 HydrophobicContact CB-CB 4.29Å; R133-N173 PolarHBondContact N-O 2.99Å; N173-L175 PolarHBondContact O-N 2.89Å |
| 174 | W | 79.1 | Confident | 71 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 20% | 0.197 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.4 | 179.3 | -65 | 99.9 | 0 | 0 | 0 | 111.2 | I132 F172 R195 K197 | I132-W174 HydrophobicContact CD1-CD2 4.33Å; I132-W174 HydrophobicContact CD1-CE3 4.02Å; I132-W174 HydrophobicContact CD1-CH2 3.67Å; I132-W174 HydrophobicContact CD1-CZ2 3.95Å; I132-W174 HydrophobicContact CD1-CZ3 3.68Å; I132-W174 HydrophobicContact CG1-CD2 3.8Å; I132-W174 HydrophobicContact CG1-CE3 3.39Å; I132-W174 HydrophobicContact CG1-CH2 4.01Å; I132-W174 HydrophobicContact CG1-CZ2 4.33Å; I132-W174 HydrophobicContact CG1-CZ3 3.5Å; F172-W174 VanDerWaalsContact C-N 3.27Å; F172-W174 HydrophobicContact CB-CZ2 4.43Å; F172-W174 PolarHBondContact O-N 2.83Å; W174-R195 HydrophobicContact CH2-CB 4Å; W174-R195 HydrophobicContact CH2-CG 4.34Å; W174-R195 HydrophobicContact CZ3-CB 4.22Å; W174-K197 HydrophobicContact CD2-CD 4.21Å; W174-K197 HydrophobicContact CD2-CG 4.47Å; W174-K197 HydrophobicContact CE3-CB 4.3Å; W174-K197 HydrophobicContact CE3-CD 4.06Å; W174-K197 HydrophobicContact CE3-CG 4.33Å; W174-K197 HydrophobicContact CH2-CB 3.82Å; W174-K197 HydrophobicContact CH2-CG 4.23Å; W174-K197 HydrophobicContact CZ2-CB 4.44Å; W174-K197 HydrophobicContact CZ2-CG 4.4Å; W174-K197 HydrophobicContact CZ3-CB 3.76Å; W174-K197 HydrophobicContact CZ3-CD 4.39Å; W174-K197 HydrophobicContact CZ3-CG 4.22Å |
| 175 | L | 83.6 | Confident | 72.3 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 132.7 | 173.7 | -62.6 | -176.5 | 0 | 0 | 0 | 110.8 | V110 L131 R133 N173 L181 H184 V186 L192 | V110-L175 HydrophobicContact CG1-CB 4.4Å; V110-L175 HydrophobicContact CG2-CB 4.32Å; V110-L175 HydrophobicContact CG2-CD1 4.49Å; L131-L175 HydrophobicContact CB-CD1 3.9Å; L131-L175 HydrophobicContact CB-CG 4.38Å; L131-L175 HydrophobicContact CD1-CD1 4.49Å; L131-L175 PolarHBondContact O-N 2.86Å; R133-L175 HydrophobicContact CB-CD2 4.49Å; N173-L175 PolarHBondContact O-N 2.89Å; L175-L181 HydrophobicContact CD1-CD2 3.87Å; L175-H184 HydrophobicContact CD2-CB 4.06Å; L175-V186 HydrophobicContact CD1-CG2 4.22Å; L175-V186 HydrophobicContact CD2-CG2 4.37Å; L175-L192 HydrophobicContact CD1-CD1 3.68Å; L175-L192 HydrophobicContact CD1-CD2 4.17Å |
| 176 | A | 80.3 | Confident | 73.7 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -66 | 129.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G178 K179 H184 | A176-G178 VanDerWaalsContact C-N 3.3Å; A176-G178 PolarHBondContact O-N 2.94Å; A176-K179 PolarHBondContact O-N 2.79Å; A176-H184 PolarHBondContact N-CE1 2.8Å; A176-H184 PolarHBondContact N-NE2 2.83Å; A176-H184 VanDerWaalsContact N-NE2 3.18Å; A176-H184 PolarHBondContact O-NE2 3.29Å |
| 177 | P | 82.1 | Confident | 75 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.8 | -172.1 | 24.6 | -33.9 | 0 | 0 | 0 | 113.9 | V110 S111 | V110-P177 PolarHBondContact N-O 2.89Å; S111-P177 WeakPolarHBondContact CB-O 3.21Å; S111-P177 PolarHBondContact N-O 3.01Å |
| 178 | G | 82.4 | Confident | 76.4 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A176 | A176-G178 VanDerWaalsContact C-N 3.3Å; A176-G178 PolarHBondContact O-N 2.94Å |
| 179 | K | 85.2 | Confident | 77.8 | Confident | 104 Ų | 104 | 57.1 Ų | 57.1 | 45% | 0.452 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -113 | 157.2 | 177.6 | -68.4 | -177.2 | -179.1 | -179.4 | 0 | 110.4 | T109 V110 A176 Q183 | T109-K179 WeakPolarHBondContact CA-O 3.27Å; V110-K179 WeakPolarHBondContact CG2-O 3.42Å; V110-K179 PolarHBondContact N-O 2.95Å; A176-K179 PolarHBondContact O-N 2.79Å; K179-Q183 VanDerWaalsContact CA-OE1 3.24Å; K179-Q183 HydrophobicContact CB-CB 4.11Å |
| 180 | T | 89.1 | Confident | 79.4 | Confident | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -78 | 162.9 | 171.5 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | R182 Q183 H184 | T180-R182 PolarHBondContact O-N 3.4Å; T180-Q183 PolarHBondContact O-N 3.23Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.42Å; T180-Q183 PolarHBondContact OG1-N 3Å; T180-H184 PolarHBondContact O-CD2 2.76Å; T180-H184 PolarHBondContact O-N 2.84Å |
| 181 | L | 88.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -36.9 | 175.2 | -68.3 | 174.7 | 0 | 0 | 0 | 111.9 | L90 V104 V110 L113 L131 L175 H184 G185 V186 L192 | L90-L181 HydrophobicContact CD1-CD1 4.24Å; L90-L181 HydrophobicContact CD2-CD1 3.85Å; V104-L181 HydrophobicContact CG2-CD1 4.39Å; V110-L181 HydrophobicContact CG2-CD2 3.87Å; V110-L181 HydrophobicContact CG2-CG 4.44Å; L113-L181 HydrophobicContact CD1-CD1 3.56Å; L113-L181 HydrophobicContact CD1-CG 3.77Å; L131-L181 HydrophobicContact CD1-CD2 4.29Å; L175-L181 HydrophobicContact CD1-CD2 3.87Å; L181-H184 PolarHBondContact O-N 3.49Å; L181-G185 PolarHBondContact O-N 3.23Å; L181-V186 HydrophobicContact CB-CB 4.3Å; L181-V186 HydrophobicContact CD2-CG2 4.47Å; L181-V186 WeakPolarHBondContact O-CB 3.44Å; L181-V186 PolarHBondContact O-N 2.88Å; L181-L192 HydrophobicContact CD2-CD1 3.85Å |
| 182 | R | 86.5 | Confident | 82.7 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -41.5 | 177.2 | -175.9 | 171.5 | -59.8 | -73.8 | -5.4 | 113 | P58 S61 D106 T180 H184 G185 | P58-R182 WeakPolarHBondContact O-CD 3.14Å; P58-R182 WeakPolarHBondContact O-CG 3.25Å; S61-R182 WeakPolarHBondContact O-CD 3.15Å; D106-R182 IonicContact OD1-NE 2.8Å; D106-R182 IonicContact OD1-NH2 3.38Å; D106-R182 IonicContact OD2-CZ 2.79Å; D106-R182 IonicContact OD2-NE 3.8Å; D106-R182 PolarHBondContact OD2-NE 2.91Å; D106-R182 IonicContact OD2-NH2 2.9Å; D106-R182 PolarHBondContact OD2-NH2 3.24Å; T180-R182 PolarHBondContact O-N 3.4Å; R182-H184 PolarHBondContact O-N 3.27Å; R182-G185 WeakPolarHBondContact O-CA 3.33Å; R182-G185 PolarHBondContact O-N 2.82Å |
| 183 | Q | 85 | Confident | 83.8 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 42% | 0.421 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23 | 176.5 | -74.2 | 173.1 | -17.5 | 0 | 0 | 113.2 | K179 T180 G185 | K179-Q183 VanDerWaalsContact CA-OE1 3.24Å; K179-Q183 HydrophobicContact CB-CB 4.11Å; T180-Q183 PolarHBondContact O-N 3.23Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.42Å; T180-Q183 PolarHBondContact OG1-N 3Å; Q183-G185 VanDerWaalsContact C-N 3.31Å |
| 184 | H | 82.9 | Confident | 84.5 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -5.8 | 171 | -75.3 | -65.6 | 0 | 0 | 0 | 113.3 | L175 A176 T180 L181 R182 V186 | L175-H184 HydrophobicContact CD2-CB 4.06Å; A176-H184 PolarHBondContact N-CE1 2.8Å; A176-H184 PolarHBondContact N-NE2 2.83Å; A176-H184 VanDerWaalsContact N-NE2 3.18Å; A176-H184 PolarHBondContact O-NE2 3.29Å; T180-H184 PolarHBondContact O-CD2 2.76Å; T180-H184 PolarHBondContact O-N 2.84Å; L181-H184 PolarHBondContact O-N 3.49Å; R182-H184 PolarHBondContact O-N 3.27Å; H184-V186 HydrophobicContact CB-CG2 3.98Å |
| 185 | G | 83.5 | Confident | 84.5 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 34.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L181 R182 Q183 | L181-G185 PolarHBondContact O-N 3.23Å; R182-G185 WeakPolarHBondContact O-CA 3.33Å; R182-G185 PolarHBondContact O-N 2.82Å; Q183-G185 VanDerWaalsContact C-N 3.31Å |
| 186 | V | 85.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | trans | -84.3 | 117.2 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | R88 L175 L181 H184 E190 L192 | R88-V186 PolarHBondContact NH1-O 2.93Å; R88-V186 PolarHBondContact NH2-O 3.01Å; L175-V186 HydrophobicContact CD1-CG2 4.22Å; L175-V186 HydrophobicContact CD2-CG2 4.37Å; L181-V186 HydrophobicContact CB-CB 4.3Å; L181-V186 HydrophobicContact CD2-CG2 4.47Å; L181-V186 WeakPolarHBondContact O-CB 3.44Å; L181-V186 PolarHBondContact O-N 2.88Å; H184-V186 HydrophobicContact CB-CG2 3.98Å; V186-E190 WeakPolarHBondContact CA-OE2 3.39Å; V186-E190 HydrophobicContact CG1-CB 4.19Å; V186-L192 HydrophobicContact CG1-CD1 4.14Å; V186-L192 HydrophobicContact CG1-CD2 4.18Å; V186-L192 HydrophobicContact CG1-CG 4.29Å; V186-L192 HydrophobicContact CG2-CD2 4.49Å | ||
| 187 | D | 82.3 | Confident | 83.9 | Confident | 96 Ų | 96 | 47.9 Ų | 47.9 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | trans | -79.2 | 160.7 | 179.5 | -73.6 | -32.4 | 0 | 0 | 0 | 112.5 | R88 S189 E190 | R88-D187 PolarHBondContact NH2-O 3.07Å; D187-S189 PolarHBondContact O-N 3.49Å; D187-E190 PolarHBondContact O-N 3.17Å | ||
| 188 | E | 81.8 | Confident | 83.6 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.1 | -176.7 | -68 | 178.9 | -163.4 | 0 | 0 | 112.8 | R84 R88 | R84-E188 IonicContact NH2-OE1 2.69Å; R84-E188 PolarHBondContact NH2-OE1 2.99Å; R88-E188 HydrophobicContact CB-CG 4.47Å; R88-E188 VanDerWaalsContact NH2-CA 3.31Å |
| 189 | S | 81.6 | Confident | 82.9 | Confident | 104 Ų | 104 | 47 Ų | 47 | 73% | 0.727 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.3 | 176.5 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | D187 | D187-S189 PolarHBondContact O-N 3.49Š|
| 190 | E | 86.1 | Confident | 82 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -78.9 | 138.8 | -173.3 | -168.7 | 165.2 | -155.5 | 0 | 0 | 111.9 | R133 V186 D187 | R133-E190 WeakPolarHBondContact CG-OE1 3.5Å; R133-E190 IonicContact CZ-OE1 2.89Å; R133-E190 IonicContact CZ-OE2 3.47Å; R133-E190 IonicContact NE-OE1 2.76Å; R133-E190 PolarHBondContact NE-OE1 3.25Å; R133-E190 IonicContact NE-OE2 3.21Å; R133-E190 IonicContact NH2-OE1 3.45Å; R133-E190 PolarHBondContact NH2-OE1 3.45Å; R133-E190 IonicContact NH2-OE2 2.81Å; R133-E190 PolarHBondContact NH2-OE2 3.26Å; R133-E190 VanDerWaalsContact NH2-OE2 3.14Å; V186-E190 WeakPolarHBondContact CA-OE2 3.39Å; V186-E190 HydrophobicContact CG1-CB 4.19Å; D187-E190 PolarHBondContact O-N 3.17Å |
| 191 | I | 87.6 | Confident | 80.8 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 22% | 0.221 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.2 | -179.3 | -56.6 | 175.2 | 0 | 0 | 0 | 108.3 | V91 Q93 P134 | V91-I191 HydrophobicContact CB-CG1 4.32Å; V91-I191 HydrophobicContact CG1-CG1 4.06Å; V91-I191 HydrophobicContact CG1-CG2 4.35Å; Q93-I191 HydrophobicContact CB-CG2 3.78Å; P134-I191 WeakPolarHBondContact CD-O 3.2Å; P134-I191 WeakPolarHBondContact CG-O 3.37Å |
| 192 | L | 89 | Confident | 79.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 142.7 | 174.2 | -62.1 | -176.6 | 0 | 0 | 0 | 111.1 | L90 V91 I92 Q93 L131 R133 L175 L181 V186 | L90-L192 HydrophobicContact CD1-CD1 3.9Å; L90-L192 HydrophobicContact CD1-CG 4.22Å; L90-L192 HydrophobicContact CD2-CD1 4.46Å; V91-L192 PolarHBondContact O-N 2.59Å; I92-L192 CarbonylContact C-O 3.59Å; I92-L192 WeakPolarHBondContact CA-O 3.42Å; Q93-L192 PolarHBondContact N-O 3.33Å; L131-L192 HydrophobicContact CB-CB 4.49Å; L131-L192 HydrophobicContact CB-CD1 4.22Å; L131-L192 HydrophobicContact CD1-CD1 3.73Å; L131-L192 HydrophobicContact CD2-CB 4.42Å; L131-L192 HydrophobicContact CG-CD1 4.43Å; R133-L192 HydrophobicContact CB-CD2 4.35Å; L175-L192 HydrophobicContact CD1-CD1 3.68Å; L175-L192 HydrophobicContact CD1-CD2 4.17Å; L181-L192 HydrophobicContact CD2-CD1 3.85Å; V186-L192 HydrophobicContact CG1-CD1 4.14Å; V186-L192 HydrophobicContact CG1-CD2 4.18Å; V186-L192 HydrophobicContact CG1-CG 4.29Å; V186-L192 HydrophobicContact CG2-CD2 4.49Å |
| 193 | L | 85.9 | Confident | 78.1 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.1 | 177.6 | -72.3 | 153 | 0 | 0 | 0 | 109.8 | Q93 L131 I132 P134 | Q93-L193 HydrophobicContact CB-CD2 4.06Å; Q93-L193 HydrophobicContact CG-CD2 4.02Å; Q93-L193 WeakPolarHBondContact O-CA 3.46Å; L131-L193 CarbonylContact C-O 2.98Å; L131-L193 WeakPolarHBondContact CA-O 3.23Å; I132-L193 HydrophobicContact CB-CB 4.08Å; I132-L193 PolarHBondContact N-O 3.43Å; I132-L193 PolarHBondContact O-N 3.37Å; P134-L193 HydrophobicContact CB-CD1 3.92Å; P134-L193 HydrophobicContact CG-CD1 4.49Å |
| 194 | L | 86.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114 | 173.2 | -178.5 | 66.8 | 0 | 0 | 0 | 109.9 | I92 Q93 T94 M114 I117 I121 I123 Y129 L131 | I92-L194 HydrophobicContact CG2-CB 3.66Å; Q93-L194 PolarHBondContact O-N 2.99Å; T94-L194 HydrophobicContact CG2-CD2 4.23Å; M114-L194 HydrophobicContact CE-CD1 4.24Å; M114-L194 HydrophobicContact SD-CD1 3.68Å; I117-L194 HydrophobicContact CG2-CD2 4.44Å; I121-L194 HydrophobicContact CD1-CD2 3.58Å; I123-L194 HydrophobicContact CD1-CD2 3.74Å; Y129-L194 HydrophobicContact CD1-CD1 4.33Å; Y129-L194 HydrophobicContact CD1-CG 4.15Å; L131-L194 HydrophobicContact CD2-CB 4.5Å; L131-L194 HydrophobicContact CD2-CD1 4.02Å |
| 195 | R | 79.3 | Confident | 75.6 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.4 | -178.9 | -157.7 | 170.2 | -166.9 | 170.5 | 3.1 | 111.7 | M95 Y129 S130 I132 F172 W174 | M95-R195 HydrophobicContact SD-CB 4.39Å; M95-R195 HydrophobicContact SD-CG 3.83Å; Y129-R195 WeakPolarHBondContact CA-O 3.49Å; S130-R195 PolarHBondContact N-O 3.43Å; S130-R195 PolarHBondContact O-N 3Å; S130-R195 VanDerWaalsContact O-O 3.08Å; I132-R195 HydrophobicContact CD1-CB 3.52Å; I132-R195 HydrophobicContact CD1-CG 4.15Å; I132-R195 HydrophobicContact CG1-CB 4.46Å; F172-R195 VanDerWaalsContact CE2-NH1 3.28Å; W174-R195 HydrophobicContact CH2-CB 4Å; W174-R195 HydrophobicContact CH2-CG 4.34Å; W174-R195 HydrophobicContact CZ3-CB 4.22Å |
| 196 | R | 77.1 | Confident | 74.6 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 124.1 | 175.6 | -161.2 | 172.8 | -179.1 | -153 | -2.8 | 109.4 | E128 Y129 D202 | E128-R196 HydrophobicContact CB-CG 4.13Å; E128-R196 CarbonylContact O-C 3.43Å; E128-R196 WeakPolarHBondContact O-CA 3.44Å; E128-R196 WeakPolarHBondContact O-CG 3.47Å; E128-R196 IonicContact OE1-NH2 2.71Å; E128-R196 IonicContact OE2-CZ 3.05Å; E128-R196 IonicContact OE2-NE 3.91Å; E128-R196 PolarHBondContact OE2-NE 2.95Å; E128-R196 IonicContact OE2-NH2 3.21Å; E128-R196 PolarHBondContact OE2-NH2 3.29Å; Y129-R196 HydrophobicContact CD1-CB 4.23Å; Y129-R196 HydrophobicContact CE1-CB 4.05Å; Y129-R196 HydrophobicContact CE2-CG 4.34Å; R196-D202 IonicContact CZ-OD1 3.87Å; R196-D202 IonicContact NH1-OD1 3.08Å; R196-D202 PolarHBondContact NH1-OD1 3Å; R196-D202 IonicContact NH2-OD1 2.66Å; R196-D202 PolarHBondContact NH2-OD1 3.11Å |
| 197 | K | 75.6 | Confident | 73.7 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | trans | -101.6 | -36.9 | -180 | -174.5 | 174.4 | 179.6 | 177.1 | 0 | 112.5 | E128 W174 | E128-K197 PolarHBondContact O-N 3.49Å; W174-K197 HydrophobicContact CD2-CD 4.21Å; W174-K197 HydrophobicContact CD2-CG 4.47Å; W174-K197 HydrophobicContact CE3-CB 4.3Å; W174-K197 HydrophobicContact CE3-CD 4.06Å; W174-K197 HydrophobicContact CE3-CG 4.33Å; W174-K197 HydrophobicContact CH2-CB 3.82Å; W174-K197 HydrophobicContact CH2-CG 4.23Å; W174-K197 HydrophobicContact CZ2-CB 4.44Å; W174-K197 HydrophobicContact CZ2-CG 4.4Å; W174-K197 HydrophobicContact CZ3-CB 3.76Å; W174-K197 HydrophobicContact CZ3-CD 4.39Å; W174-K197 HydrophobicContact CZ3-CG 4.22Å | ||
| 198 | Y | 74.1 | Confident | 73.1 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | trans | -114.6 | 129.6 | -177.3 | -53.4 | -80.6 | 0 | 0 | 0 | 111.1 | E127 E128 Y200 L394 Y398 I401 | E127-Y198 VanDerWaalsContact O-CD2 3.25Å; E127-Y198 WeakPolarHBondContact O-CD2 3.36Å; E128-Y198 WeakPolarHBondContact CB-O 3.19Å; E128-Y198 WeakPolarHBondContact CG-O 3.42Å; E128-Y198 PolarHBondContact O-N 3.49Å; E128-Y198 VanDerWaalsContact O-N 3.11Å; Y198-Y200 PolarHBondContact O-N 3.29Å; Y198-L394 HydrophobicContact CD1-CD1 4.19Å; Y198-L394 HydrophobicContact CE1-CD1 3.99Å; Y198-Y398 HydrophobicContact CD1-CD1 4.05Å; Y198-Y398 AromaticContact CD1-CE1 3.92Å; Y198-Y398 HydrophobicContact CD1-CE1 3.92Å; Y198-Y398 HydrophobicContact CD1-CG 4.45Å; Y198-I401 HydrophobicContact CD1-CD1 4.16Å; Y198-I401 HydrophobicContact CD2-CD1 3.95Å; Y198-I401 HydrophobicContact CG-CD1 3.74Å | ||
| 199 | F | 68.7 | Low | 72.8 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | trans | -99.6 | 67.4 | 179.5 | -64.5 | -85.2 | 0 | 0 | 0 | 110.8 | ||||
| 200 | Y | 66.4 | Low | 72.4 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -88.3 | -46.1 | -177.4 | -161.2 | -80.8 | 0 | 0 | 0 | 112.4 | E128 Y198 K336 I401 I402 | E128-Y200 WeakPolarHBondContact OE1-CB 3.45Å; Y198-Y200 PolarHBondContact O-N 3.29Å; Y200-K336 HydrophobicContact CD2-CB 4.09Å; Y200-K336 HydrophobicContact CD2-CD 4.21Å; Y200-K336 HydrophobicContact CE2-CB 4.48Å; Y200-K336 HydrophobicContact CG-CD 4.43Å; Y200-K336 PolarHBondContact O-NZ 3.37Å; Y200-K336 VanDerWaalsContact O-NZ 3.1Å; Y200-I401 HydrophobicContact CD2-CG2 3.67Å; Y200-I401 HydrophobicContact CE2-CG2 3.85Å; Y200-I401 HydrophobicContact CG-CG2 4.03Å; Y200-I402 HydrophobicContact CE2-CG1 3.99Å |
| 201 | S | 63.4 | Low | 71.9 | Confident | 28 Ų | 28 | 64 Ų | 64 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | trans | -110.4 | 42.9 | -167.1 | -40.6 | 0 | 0 | 0 | 0 | 114.9 | E128 Q203 R405 | E128-S201 WeakPolarHBondContact OE1-CB 3.33Å; E128-S201 PolarHBondContact OE1-N 2.92Å; E128-S201 PolarHBondContact OE1-OG 3.25Å; S201-Q203 PolarHBondContact O-N 2.95Å; S201-R405 PolarHBondContact OG-NH2 3.03Å | ||
| 202 | D | 59.5 | Low | 71.2 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -68.4 | 8.3 | -177 | -77.7 | -8.5 | 0 | 0 | 0 | 116.6 | R196 N204 R305 | R196-D202 IonicContact CZ-OD1 3.87Å; R196-D202 IonicContact NH1-OD1 3.08Å; R196-D202 PolarHBondContact NH1-OD1 3Å; R196-D202 IonicContact NH2-OD1 2.66Å; R196-D202 PolarHBondContact NH2-OD1 3.11Å; D202-N204 VanDerWaalsContact C-N 3.35Å; D202-N204 PolarHBondContact O-N 3.02Å; D202-R305 PolarHBondContact O-NH2 2.96Å |
| 203 | Q | 58.6 | Low | 70.8 | Confident | 163 Ų | 163 | 65.3 Ų | 65.3 | 76% | 0.762 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -82.3 | -6.6 | -171.9 | -72.1 | 178 | -4.6 | 0 | 0 | 114.5 | S201 | S201-Q203 PolarHBondContact O-N 2.95Š|
| 204 | N | 56.3 | Low | 70.6 | Confident | 140 Ų | 140 | 65.7 Ų | 65.7 | 75% | 0.749 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -109.1 | 20 | -166.9 | -66 | -8.1 | 0 | 0 | 0 | 116.4 | D202 | D202-N204 VanDerWaalsContact C-N 3.35Å; D202-N204 PolarHBondContact O-N 3.02Å |
| 205 | I | 59.3 | Low | 70.3 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 21% | 0.205 | 35% | 0.345 | C | S | . | . | trans | -85.1 | 117.7 | 179.1 | -57.9 | 176 | 0 | 0 | 0 | 110.1 | T207 Q212 L216 | I205-T207 PolarHBondContact O-N 3.01Å; I205-Q212 HydrophobicContact CG2-CG 3.87Å; I205-L216 HydrophobicContact CD1-CD1 4.2Å; I205-L216 HydrophobicContact CD1-CD2 3.94Å; I205-L216 HydrophobicContact CG2-CD2 4.01Å | ||
| 206 | D | 62.7 | Low | 70.4 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | trans | -81.1 | 103.1 | 178.9 | -162.8 | -16.7 | 0 | 0 | 0 | 110.5 | R208 D209 Q212 | D206-R208 PolarHBondContact O-N 3.07Å; D206-R208 WeakPolarHBondContact OD1-CB 3.45Å; D206-R208 WeakPolarHBondContact OD1-CG 3.42Å; D206-R208 IonicContact OD1-CZ 3.64Å; D206-R208 PolarHBondContact OD1-N 2.9Å; D206-R208 IonicContact OD1-NE 2.79Å; D206-R208 PolarHBondContact OD1-NE 3.35Å; D206-R208 IonicContact OD1-NH2 3.6Å; D206-R208 IonicContact OD2-CZ 3.32Å; D206-R208 IonicContact OD2-NE 3.1Å; D206-R208 PolarHBondContact OD2-NE 2.99Å; D206-R208 VanDerWaalsContact OD2-NE 3.1Å; D206-R208 IonicContact OD2-NH2 2.8Å; D206-R208 PolarHBondContact OD2-NH2 2.88Å; D206-D209 PolarHBondContact O-N 2.88Å; D206-Q212 VanDerWaalsContact N-OE1 3.15Å; D206-Q212 PolarHBondContact O-OE1 2.95Å | ||
| 207 | T | 66.7 | Low | 70.9 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 31% | 0.307 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -7.4 | 175.8 | 52 | 0 | 0 | 0 | 0 | 113.6 | I205 L298 | I205-T207 PolarHBondContact O-N 3.01Å; T207-L298 HydrophobicContact CG2-CD1 3.91Å |
| 208 | R | 69.4 | Low | 71.3 | Confident | 185 Ų | 185 | 65.8 Ų | 65.8 | 70% | 0.698 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -23.3 | 177.3 | -60.4 | 172.4 | -74.9 | -173.3 | 0.6 | 112.3 | D206 P210 R294 | D206-R208 PolarHBondContact O-N 3.07Å; D206-R208 WeakPolarHBondContact OD1-CB 3.45Å; D206-R208 WeakPolarHBondContact OD1-CG 3.42Å; D206-R208 IonicContact OD1-CZ 3.64Å; D206-R208 PolarHBondContact OD1-N 2.9Å; D206-R208 IonicContact OD1-NE 2.79Å; D206-R208 PolarHBondContact OD1-NE 3.35Å; D206-R208 IonicContact OD1-NH2 3.6Å; D206-R208 IonicContact OD2-CZ 3.32Å; D206-R208 IonicContact OD2-NE 3.1Å; D206-R208 PolarHBondContact OD2-NE 2.99Å; D206-R208 VanDerWaalsContact OD2-NE 3.1Å; D206-R208 IonicContact OD2-NH2 2.8Å; D206-R208 PolarHBondContact OD2-NH2 2.88Å; R208-P210 WeakPolarHBondContact O-CD 3.26Å; R208-R294 PolarHBondContact O-NH2 2.78Å |
| 209 | D | 74.8 | Confident | 71.8 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | trans | -83.6 | 114.8 | 176.1 | 179.1 | 3.2 | 0 | 0 | 0 | 110.8 | D206 V211 Q212 L213 | D206-D209 PolarHBondContact O-N 2.88Å; D209-V211 VanDerWaalsContact C-N 3.26Å; D209-V211 PolarHBondContact O-N 2.98Å; D209-V211 PolarHBondContact OD1-N 2.74Å; D209-Q212 HydrophobicContact CB-CB 3.9Å; D209-Q212 PolarHBondContact O-N 2.93Å; D209-L213 VanDerWaalsContact O-CB 3.26Å; D209-L213 WeakPolarHBondContact O-CB 3.46Å; D209-L213 PolarHBondContact O-N 3.11Å | ||
| 210 | P | 74.1 | Confident | 72.7 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 49% | 0.494 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.9 | -28.4 | 179 | 27.1 | -35.1 | 0 | 0 | 0 | 113.5 | R208 N214 | R208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-N214 VanDerWaalsContact O-CB 3.23Å; P210-N214 WeakPolarHBondContact O-CB 3.34Å; P210-N214 PolarHBondContact O-N 3.12Å |
| 211 | V | 74.7 | Confident | 73.7 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 65% | 0.648 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.6 | -49.7 | 179 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | D209 L213 N214 L215 | D209-V211 VanDerWaalsContact C-N 3.26Å; D209-V211 PolarHBondContact O-N 2.98Å; D209-V211 PolarHBondContact OD1-N 2.74Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 2.8Å; V211-N214 PolarHBondContact O-N 3.07Å; V211-L215 PolarHBondContact O-N 3.05Å |
| 212 | Q | 72.9 | Confident | 74.8 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.9 | -164.7 | 177.1 | 18.6 | 0 | 0 | 111.6 | I205 D206 D209 L215 L216 | I205-Q212 HydrophobicContact CG2-CG 3.87Å; D206-Q212 VanDerWaalsContact N-OE1 3.15Å; D206-Q212 PolarHBondContact O-OE1 2.95Å; D209-Q212 HydrophobicContact CB-CB 3.9Å; D209-Q212 PolarHBondContact O-N 2.93Å; Q212-L215 PolarHBondContact O-N 2.97Å; Q212-L216 WeakPolarHBondContact O-CB 3.29Å; Q212-L216 PolarHBondContact O-N 3.01Å |
| 213 | L | 81 | Confident | 75.9 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 175.5 | -179.6 | 66.1 | 0 | 0 | 0 | 111.7 | D209 V211 L216 Y217 R294 K297 L298 V301 | D209-L213 VanDerWaalsContact O-CB 3.26Å; D209-L213 WeakPolarHBondContact O-CB 3.46Å; D209-L213 PolarHBondContact O-N 3.11Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 2.8Å; L213-L216 PolarHBondContact O-N 3.12Å; L213-Y217 WeakPolarHBondContact O-CB 3.19Å; L213-Y217 PolarHBondContact O-N 3.4Å; L213-R294 HydrophobicContact CD2-CG 4.28Å; L213-K297 HydrophobicContact CD2-CB 4.4Å; L213-K297 HydrophobicContact CG-CB 4.48Å; L213-L298 HydrophobicContact CD1-CD1 4.07Å; L213-L298 HydrophobicContact CD2-CB 4.15Å; L213-L298 HydrophobicContact CD2-CD1 4.48Å; L213-V301 HydrophobicContact CD1-CB 4.25Å; L213-V301 HydrophobicContact CD1-CG2 3.89Å |
| 214 | N | 82.5 | Confident | 77.3 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 178.6 | -174.3 | 64.3 | 0 | 0 | 0 | 112 | P210 V211 Y217 V218 K297 | P210-N214 VanDerWaalsContact O-CB 3.23Å; P210-N214 WeakPolarHBondContact O-CB 3.34Å; P210-N214 PolarHBondContact O-N 3.12Å; V211-N214 PolarHBondContact O-N 3.07Å; N214-Y217 WeakPolarHBondContact O-CB 3.49Å; N214-Y217 PolarHBondContact O-N 3.41Å; N214-V218 WeakPolarHBondContact O-CG2 3.41Å; N214-V218 PolarHBondContact O-N 3.43Å; N214-K297 WeakPolarHBondContact OD1-CE 3.36Å; N214-K297 PolarHBondContact OD1-NZ 3.04Å |
| 215 | L | 78.8 | Confident | 78.7 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 52% | 0.518 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 176.5 | -175.9 | 64.3 | 0 | 0 | 0 | 111.2 | V211 Q212 V218 Q219 | V211-L215 PolarHBondContact O-N 3.05Å; Q212-L215 PolarHBondContact O-N 2.97Å; L215-V218 PolarHBondContact O-N 3.17Å; L215-Q219 WeakPolarHBondContact O-CG 3.37Å; L215-Q219 PolarHBondContact O-N 3.39Å |
| 216 | L | 82 | Confident | 79.7 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.2 | -177.3 | 60.3 | 0 | 0 | 0 | 111.8 | I205 Q212 L213 Q219 L220 V301 | I205-L216 HydrophobicContact CD1-CD1 4.2Å; I205-L216 HydrophobicContact CD1-CD2 3.94Å; I205-L216 HydrophobicContact CG2-CD2 4.01Å; Q212-L216 WeakPolarHBondContact O-CB 3.29Å; Q212-L216 PolarHBondContact O-N 3.01Å; L213-L216 PolarHBondContact O-N 3.12Å; L216-Q219 PolarHBondContact O-N 3.26Å; L216-L220 HydrophobicContact CD1-CD1 3.97Å; L216-L220 HydrophobicContact CD1-CG 4.12Å; L216-L220 HydrophobicContact CG-CD1 3.86Å; L216-L220 HydrophobicContact CG-CG 4.42Å; L216-L220 WeakPolarHBondContact O-CB 3.34Å; L216-L220 VanDerWaalsContact O-CG 3.26Å; L216-L220 WeakPolarHBondContact O-CG 3.44Å; L216-L220 PolarHBondContact O-N 3.02Å; L216-V301 HydrophobicContact CD2-CG1 3.4Å; L216-V301 VanDerWaalsContact CD2-CG1 3.4Å; L216-V301 HydrophobicContact CD2-CG2 4.31Å; L216-V301 HydrophobicContact CG-CG1 4.08Å; L216-V301 HydrophobicContact CG-CG2 4.18Å |
| 217 | Y | 86.6 | Confident | 80.4 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 174.2 | 165.3 | -103.6 | 0 | 0 | 0 | 111.7 | L213 N214 L220 K221 Q243 K297 Y300 | L213-Y217 WeakPolarHBondContact O-CB 3.19Å; L213-Y217 PolarHBondContact O-N 3.4Å; N214-Y217 WeakPolarHBondContact O-CB 3.49Å; N214-Y217 PolarHBondContact O-N 3.41Å; Y217-L220 PolarHBondContact O-N 3.16Å; Y217-K221 HydrophobicContact CE1-CD 4.23Å; Y217-K221 WeakPolarHBondContact O-CB 3.35Å; Y217-K221 PolarHBondContact O-N 2.67Å; Y217-Q243 WeakPolarHBondContact OH-CG 3.32Å; Y217-K297 HydrophobicContact CD1-CD 4.04Å; Y217-K297 HydrophobicContact CD1-CG 3.93Å; Y217-K297 HydrophobicContact CD2-CB 4.34Å; Y217-K297 HydrophobicContact CD2-CG 4.02Å; Y217-K297 HydrophobicContact CE1-CD 4.46Å; Y217-K297 HydrophobicContact CE1-CG 4.22Å; Y217-K297 HydrophobicContact CE2-CG 4.3Å; Y217-K297 HydrophobicContact CG-CB 4.27Å; Y217-K297 HydrophobicContact CG-CD 4.28Å; Y217-K297 HydrophobicContact CG-CG 3.81Å; Y217-Y300 AromaticContact CD2-CD1 3.67Å; Y217-Y300 HydrophobicContact CD2-CD1 3.67Å; Y217-Y300 HydrophobicContact CD2-CD2 4.38Å; Y217-Y300 HydrophobicContact CD2-CE1 4.25Å; Y217-Y300 AromaticContact CD2-CG 3.76Å; Y217-Y300 HydrophobicContact CD2-CG 3.76Å; Y217-Y300 AromaticContact CE2-CD1 3.93Å; Y217-Y300 HydrophobicContact CE2-CD1 3.93Å; Y217-Y300 AromaticContact CE2-CD2 3.85Å; Y217-Y300 HydrophobicContact CE2-CD2 3.85Å; Y217-Y300 HydrophobicContact CE2-CE1 4.29Å; Y217-Y300 HydrophobicContact CE2-CE2 4.21Å; Y217-Y300 AromaticContact CE2-CG 3.7Å; Y217-Y300 HydrophobicContact CE2-CG 3.7Å |
| 218 | V | 85.9 | Confident | 81 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.6 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | N214 L215 L220 K221 E222 | N214-V218 WeakPolarHBondContact O-CG2 3.41Å; N214-V218 PolarHBondContact O-N 3.43Å; L215-V218 PolarHBondContact O-N 3.17Å; V218-L220 PolarHBondContact O-N 3.39Å; V218-K221 WeakPolarHBondContact O-CB 3.11Å; V218-K221 PolarHBondContact O-N 3.46Å; V218-E222 WeakPolarHBondContact O-CG 2.96Å; V218-E222 PolarHBondContact O-N 2.87Å |
| 219 | Q | 83.9 | Confident | 81.7 | Confident | 80 Ų | 80 | 48.4 Ų | 48.4 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.8 | -74.5 | 176.8 | -12.3 | 0 | 0 | 112.6 | L215 L216 A223 | L215-Q219 WeakPolarHBondContact O-CG 3.37Å; L215-Q219 PolarHBondContact O-N 3.39Å; L216-Q219 PolarHBondContact O-N 3.26Å; Q219-A223 VanDerWaalsContact O-CB 3.28Å; Q219-A223 WeakPolarHBondContact O-CB 3.28Å; Q219-A223 PolarHBondContact O-N 3.34Å |
| 220 | L | 86.7 | Confident | 82.2 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70 | -38.9 | 179 | -67.8 | 170.1 | 0 | 0 | 0 | 111.8 | L216 Y217 V218 A223 I224 Y300 V301 C304 Y310 | L216-L220 HydrophobicContact CD1-CD1 3.97Å; L216-L220 HydrophobicContact CD1-CG 4.12Å; L216-L220 HydrophobicContact CG-CD1 3.86Å; L216-L220 HydrophobicContact CG-CG 4.42Å; L216-L220 WeakPolarHBondContact O-CB 3.34Å; L216-L220 VanDerWaalsContact O-CG 3.26Å; L216-L220 WeakPolarHBondContact O-CG 3.44Å; L216-L220 PolarHBondContact O-N 3.02Å; Y217-L220 PolarHBondContact O-N 3.16Å; V218-L220 PolarHBondContact O-N 3.39Å; L220-A223 PolarHBondContact O-N 2.93Å; L220-I224 WeakPolarHBondContact O-CB 3.47Å; L220-I224 WeakPolarHBondContact O-CD1 3.41Å; L220-I224 WeakPolarHBondContact O-CG1 3.32Å; L220-I224 PolarHBondContact O-N 2.96Å; L220-Y300 HydrophobicContact CB-CE1 4.23Å; L220-V301 HydrophobicContact CD1-CB 4.4Å; L220-V301 HydrophobicContact CD1-CG1 4.3Å; L220-V301 HydrophobicContact CD1-CG2 4.11Å; L220-C304 HydrophobicContact CD1-CB 3.81Å; L220-C304 HydrophobicContact CD2-CB 4.29Å; L220-C304 HydrophobicContact CG-CB 4.47Å; L220-Y310 HydrophobicContact CD2-CD2 4.33Å; L220-Y310 HydrophobicContact CD2-CE2 3.82Å |
| 221 | K | 88.5 | Confident | 82.9 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -50.8 | 174.1 | -174.4 | -172.7 | 113.7 | 167.3 | 0 | 110.6 | Y217 V218 A223 I224 L225 Q243 E247 | Y217-K221 HydrophobicContact CE1-CD 4.23Å; Y217-K221 WeakPolarHBondContact O-CB 3.35Å; Y217-K221 PolarHBondContact O-N 2.67Å; V218-K221 WeakPolarHBondContact O-CB 3.11Å; V218-K221 PolarHBondContact O-N 3.46Å; K221-A223 VanDerWaalsContact C-N 3.35Å; K221-A223 PolarHBondContact O-N 3.4Å; K221-I224 PolarHBondContact O-N 2.89Å; K221-L225 HydrophobicContact CG-CD1 4.03Å; K221-L225 WeakPolarHBondContact O-CB 3.46Å; K221-L225 VanDerWaalsContact O-CG 3.22Å; K221-L225 WeakPolarHBondContact O-CG 3.4Å; K221-L225 PolarHBondContact O-N 2.91Å; K221-Q243 HydrophobicContact CD-CG 4.42Å; K221-E247 IonicContact NZ-OE1 2.95Å; K221-E247 PolarHBondContact NZ-OE1 3.29Å |
| 222 | E | 85.6 | Confident | 83.6 | Confident | 100 Ų | 100 | 38 Ų | 38 | 47% | 0.467 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.5 | -73.4 | 178.5 | 180 | 0 | 0 | 111.9 | V218 I224 L225 N226 | V218-E222 WeakPolarHBondContact O-CG 2.96Å; V218-E222 PolarHBondContact O-N 2.87Å; E222-I224 VanDerWaalsContact C-N 3.32Å; E222-I224 PolarHBondContact O-N 3.32Å; E222-L225 PolarHBondContact O-N 3.41Å; E222-N226 VanDerWaalsContact O-CB 3.22Å; E222-N226 WeakPolarHBondContact O-CB 3.43Å; E222-N226 VanDerWaalsContact O-CG 3.25Å; E222-N226 PolarHBondContact O-N 2.73Å; E222-N226 PolarHBondContact O-ND2 2.98Å |
| 223 | A | 83.1 | Confident | 84.3 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 19% | 0.19 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q219 L220 K221 G227 T228 H229 | Q219-A223 VanDerWaalsContact O-CB 3.28Å; Q219-A223 WeakPolarHBondContact O-CB 3.28Å; Q219-A223 PolarHBondContact O-N 3.34Å; L220-A223 PolarHBondContact O-N 2.93Å; K221-A223 VanDerWaalsContact C-N 3.35Å; K221-A223 PolarHBondContact O-N 3.4Å; A223-G227 PolarHBondContact O-N 2.89Å; A223-T228 VanDerWaalsContact C-OG1 3.3Å; A223-T228 WeakPolarHBondContact CA-OG1 3.47Å; A223-T228 VanDerWaalsContact CB-OG1 3.31Å; A223-T228 WeakPolarHBondContact CB-OG1 3.33Å; A223-T228 PolarHBondContact O-N 3.47Å; A223-T228 PolarHBondContact O-OG1 3.37Å; A223-H229 HydrophobicContact CB-CB 4.27Å; A223-H229 PolarHBondContact O-N 3.18Å; A223-H229 VanDerWaalsContact O-N 3.1Å |
| 224 | I | 88 | Confident | 84.7 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.6 | -49.2 | 176.2 | -72.2 | 159.6 | 0 | 0 | 0 | 110.7 | L220 K221 E222 N226 G227 H229 I231 L239 P268 Y300 C304 | L220-I224 WeakPolarHBondContact O-CB 3.47Å; L220-I224 WeakPolarHBondContact O-CD1 3.41Å; L220-I224 WeakPolarHBondContact O-CG1 3.32Å; L220-I224 PolarHBondContact O-N 2.96Å; K221-I224 PolarHBondContact O-N 2.89Å; E222-I224 VanDerWaalsContact C-N 3.32Å; E222-I224 PolarHBondContact O-N 3.32Å; I224-N226 VanDerWaalsContact C-N 3.31Å; I224-N226 PolarHBondContact O-N 2.61Å; I224-G227 PolarHBondContact O-N 3.5Å; I224-H229 HydrophobicContact CG1-CB 4.28Å; I224-I231 HydrophobicContact CG1-CD1 4.44Å; I224-I231 HydrophobicContact CG2-CD1 3.51Å; I224-I231 HydrophobicContact CG2-CG1 4.41Å; I224-L239 HydrophobicContact CD1-CD1 3.69Å; I224-L239 HydrophobicContact CD1-CD2 4.34Å; I224-P268 HydrophobicContact CG2-CG 4.09Å; I224-P268 WeakPolarHBondContact O-CG 3.43Å; I224-Y300 HydrophobicContact CD1-CE1 3.93Å; I224-Y300 VanDerWaalsContact CD1-OH 3.31Å; I224-Y300 WeakPolarHBondContact CD1-OH 3.46Å; I224-C304 VanDerWaalsContact CD1-SG 3.59Å |
| 225 | L | 86.2 | Confident | 85.1 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | -178.4 | -68.9 | 173.5 | 0 | 0 | 0 | 112.2 | K221 E222 G227 D265 | K221-L225 HydrophobicContact CG-CD1 4.03Å; K221-L225 WeakPolarHBondContact O-CB 3.46Å; K221-L225 VanDerWaalsContact O-CG 3.22Å; K221-L225 WeakPolarHBondContact O-CG 3.4Å; K221-L225 PolarHBondContact O-N 2.91Å; E222-L225 PolarHBondContact O-N 3.41Å; L225-G227 PolarHBondContact O-N 3.47Å; L225-D265 VanDerWaalsContact CD1-O 3.26Å; L225-D265 WeakPolarHBondContact CD1-O 3.41Å; L225-D265 WeakPolarHBondContact CD2-O 3.39Å |
| 226 | N | 79.9 | Confident | 85.6 | Confident | 79 Ų | 79 | 36.7 Ų | 36.7 | 42% | 0.422 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -74.2 | -14.7 | 177.1 | -68.7 | -12.9 | 0 | 0 | 0 | 112.5 | H167 E222 I224 T228 | H167-N226 WeakPolarHBondContact CB-O 3.47Å; H167-N226 PolarHBondContact ND1-O 3.36Å; E222-N226 VanDerWaalsContact O-CB 3.22Å; E222-N226 WeakPolarHBondContact O-CB 3.43Å; E222-N226 VanDerWaalsContact O-CG 3.25Å; E222-N226 PolarHBondContact O-N 2.73Å; E222-N226 PolarHBondContact O-ND2 2.98Å; I224-N226 VanDerWaalsContact C-N 3.31Å; I224-N226 PolarHBondContact O-N 2.61Å; N226-T228 VanDerWaalsContact C-N 3.32Å; N226-T228 HydrophobicContact CB-CG2 4.28Å |
| 227 | G | 78.2 | Confident | 86.1 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 0.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A223 I224 L225 H229 | A223-G227 PolarHBondContact O-N 2.89Å; I224-G227 PolarHBondContact O-N 3.5Å; L225-G227 PolarHBondContact O-N 3.47Å; G227-H229 PolarHBondContact O-N 2.84Å |
| 228 | T | 78.5 | Confident | 86.3 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 31% | 0.307 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -62.2 | -32.7 | 175.5 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | A223 N226 P230 | A223-T228 VanDerWaalsContact C-OG1 3.3Å; A223-T228 WeakPolarHBondContact CA-OG1 3.47Å; A223-T228 VanDerWaalsContact CB-OG1 3.31Å; A223-T228 WeakPolarHBondContact CB-OG1 3.33Å; A223-T228 PolarHBondContact O-N 3.47Å; A223-T228 PolarHBondContact O-OG1 3.37Å; N226-T228 VanDerWaalsContact C-N 3.32Å; N226-T228 HydrophobicContact CB-CG2 4.28Å; T228-P230 VanDerWaalsContact O-CD 3.24Å; T228-P230 WeakPolarHBondContact O-CD 3.43Å |
| 229 | H | 83.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.069 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -103.8 | 95.9 | 170.5 | -170.5 | 177 | 0 | 0 | 0 | 109.4 | A223 I224 G227 I231 T309 | A223-H229 HydrophobicContact CB-CB 4.27Å; A223-H229 PolarHBondContact O-N 3.18Å; A223-H229 VanDerWaalsContact O-N 3.1Å; I224-H229 HydrophobicContact CG1-CB 4.28Å; G227-H229 PolarHBondContact O-N 2.84Å; H229-I231 PolarHBondContact O-N 3.37Å; H229-T309 PolarHBondContact CD2-OG1 2.99Å; H229-T309 PolarHBondContact NE2-OG1 3.34Å |
| 230 | P | 84.8 | Confident | 86.9 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.045 | 18% | 0.178 | C | C | . | . | trans | -69.3 | 129 | 179.4 | 26.7 | -32.9 | 0 | 0 | 0 | 110.7 | T228 T309 F314 L331 K347 | T228-P230 VanDerWaalsContact O-CD 3.24Å; T228-P230 WeakPolarHBondContact O-CD 3.43Å; P230-T309 PolarHBondContact O-OG1 2.69Å; P230-F314 HydrophobicContact CG-CB 4.33Å; P230-F314 HydrophobicContact CG-CD1 4.11Å; P230-F314 HydrophobicContact CG-CD2 3.23Å; P230-F314 HydrophobicContact CG-CE1 4.24Å; P230-F314 HydrophobicContact CG-CE2 3.37Å; P230-F314 HydrophobicContact CG-CG 3.62Å; P230-F314 HydrophobicContact CG-CZ 3.89Å; P230-L331 HydrophobicContact CB-CD1 4.17Å; P230-L331 HydrophobicContact CG-CD1 4.45Å; P230-K347 HydrophobicContact CB-CD 3.9Å | ||
| 231 | I | 88.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | -131.1 | 152.6 | 179.9 | 60.1 | 173.5 | 0 | 0 | 0 | 109.7 | I224 H229 Q235 A236 L239 P268 Y271 L307 | I224-I231 HydrophobicContact CG1-CD1 4.44Å; I224-I231 HydrophobicContact CG2-CD1 3.51Å; I224-I231 HydrophobicContact CG2-CG1 4.41Å; H229-I231 PolarHBondContact O-N 3.37Å; I231-Q235 HydrophobicContact CB-CB 4.1Å; I231-A236 VanDerWaalsContact CD1-CA 3.48Å; I231-A236 HydrophobicContact CD1-CB 3.61Å; I231-A236 HydrophobicContact CG1-CB 4.12Å; I231-L239 HydrophobicContact CD1-CD1 3.62Å; I231-L239 HydrophobicContact CG2-CD1 4.48Å; I231-P268 HydrophobicContact CD1-CG 4.46Å; I231-P268 HydrophobicContact CG1-CG 4.45Å; I231-Y271 WeakPolarHBondContact O-CE2 3.05Å; I231-Y271 PolarHBondContact O-OH 3.29Å; I231-L307 HydrophobicContact CG2-CD1 3.63Å | ||
| 232 | S | 89.3 | Confident | 87.3 | Confident | 27 Ų | 27 | 30.4 Ų | 30.4 | 19% | 0.189 | 17% | 0.169 | C | C | . | . | trans | -69.9 | 161.8 | 174.3 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | D234 Q235 A236 | S232-D234 PolarHBondContact O-N 3.32Å; S232-Q235 PolarHBondContact O-N 3.23Å; S232-Q235 VanDerWaalsContact OG-CG 3.25Å; S232-Q235 WeakPolarHBondContact OG-CG 3.42Å; S232-Q235 PolarHBondContact OG-N 3.05Å; S232-Q235 PolarHBondContact OG-OE1 3.38Å; S232-A236 PolarHBondContact O-N 3.3Å | ||
| 233 | Q | 88.3 | Confident | 87.5 | Confident | 62 Ų | 62 | 25.8 Ų | 25.8 | 29% | 0.29 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -56.9 | -39.4 | 178 | -175.6 | 179.3 | -21.1 | 0 | 0 | 112.1 | A236 I237 Y271 I277 | Q233-A236 PolarHBondContact O-N 2.95Å; Q233-I237 HydrophobicContact CG-CD1 4.24Å; Q233-I237 WeakPolarHBondContact O-CD1 3.44Å; Q233-I237 VanDerWaalsContact O-CG1 3.26Å; Q233-I237 WeakPolarHBondContact O-CG1 3.43Å; Q233-I237 PolarHBondContact O-N 3.24Å; Q233-Y271 HydrophobicContact CB-CD1 3.99Å; Q233-Y271 HydrophobicContact CB-CE1 3.72Å; Q233-Y271 HydrophobicContact CG-CD1 4.04Å; Q233-Y271 HydrophobicContact CG-CE1 4.29Å; Q233-Y271 HydrophobicContact CG-CG 4.48Å; Q233-Y271 PolarHBondContact N-OH 3.15Å; Q233-I277 HydrophobicContact CG-CD1 4.17Å |
| 234 | D | 89.4 | Confident | 87.7 | Confident | 83 Ų | 83 | 24.7 Ų | 24.7 | 44% | 0.444 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -69.9 | -37.7 | -179.9 | -69.3 | -23.9 | 0 | 0 | 0 | 112 | S232 I237 N238 R280 | S232-D234 PolarHBondContact O-N 3.32Å; D234-I237 PolarHBondContact O-N 3.35Å; D234-N238 PolarHBondContact O-N 3.5Å; D234-N238 PolarHBondContact O-ND2 2.74Å; D234-R280 IonicContact OD1-CZ 2.78Å; D234-R280 IonicContact OD1-NH1 3.86Å; D234-R280 PolarHBondContact OD1-NH1 3.47Å; D234-R280 IonicContact OD1-NH2 3.62Å; D234-R280 PolarHBondContact OD1-NH2 3.39Å |
| 235 | Q | 90.2 | Very high | 87.8 | Confident | 55 Ų | 55 | 24.5 Ų | 24.5 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 172.9 | -71.9 | 163.8 | -3.1 | 0 | 0 | 111.4 | I231 S232 I237 N238 L239 L307 | I231-Q235 HydrophobicContact CB-CB 4.1Å; S232-Q235 PolarHBondContact O-N 3.23Å; S232-Q235 VanDerWaalsContact OG-CG 3.25Å; S232-Q235 WeakPolarHBondContact OG-CG 3.42Å; S232-Q235 PolarHBondContact OG-N 3.05Å; S232-Q235 PolarHBondContact OG-OE1 3.38Å; Q235-I237 VanDerWaalsContact C-N 3.29Å; Q235-I237 PolarHBondContact O-N 3.25Å; Q235-N238 PolarHBondContact O-N 2.94Å; Q235-L239 WeakPolarHBondContact O-CB 3.32Å; Q235-L239 WeakPolarHBondContact O-CG 3.3Å; Q235-L239 PolarHBondContact O-N 2.84Å; Q235-L307 VanDerWaalsContact CD-CD2 3.47Å; Q235-L307 HydrophobicContact CG-CD2 4.09Å; Q235-L307 VanDerWaalsContact NE2-CD2 3.33Å |
| 236 | A | 90.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | I231 S232 Q233 L239 A240 L267 Y271 | I231-A236 VanDerWaalsContact CD1-CA 3.48Å; I231-A236 HydrophobicContact CD1-CB 3.61Å; I231-A236 HydrophobicContact CG1-CB 4.12Å; S232-A236 PolarHBondContact O-N 3.3Å; Q233-A236 PolarHBondContact O-N 2.95Å; A236-L239 PolarHBondContact O-N 3.12Å; A236-A240 WeakPolarHBondContact O-CB 2.93Å; A236-A240 PolarHBondContact O-N 2.77Å; A236-L267 HydrophobicContact CB-CD2 3.9Å; A236-Y271 HydrophobicContact CB-CD2 3.7Å; A236-Y271 HydrophobicContact CB-CE2 3.93Å |
| 237 | I | 91.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 175.7 | -69 | 163 | 0 | 0 | 0 | 111.1 | Q233 D234 Q235 A240 A241 I277 R280 I281 Q284 | Q233-I237 HydrophobicContact CG-CD1 4.24Å; Q233-I237 WeakPolarHBondContact O-CD1 3.44Å; Q233-I237 VanDerWaalsContact O-CG1 3.26Å; Q233-I237 WeakPolarHBondContact O-CG1 3.43Å; Q233-I237 PolarHBondContact O-N 3.24Å; D234-I237 PolarHBondContact O-N 3.35Å; Q235-I237 VanDerWaalsContact C-N 3.29Å; Q235-I237 PolarHBondContact O-N 3.25Å; I237-A240 PolarHBondContact O-N 3.23Å; I237-A241 WeakPolarHBondContact O-CB 3.42Å; I237-A241 PolarHBondContact O-N 3.01Å; I237-I277 HydrophobicContact CG1-CG2 4.21Å; I237-R280 HydrophobicContact CD1-CB 3.95Å; I237-R280 HydrophobicContact CG2-CB 4.04Å; I237-I281 HydrophobicContact CB-CG1 4.34Å; I237-I281 HydrophobicContact CG1-CG1 4.27Å; I237-I281 HydrophobicContact CG2-CG1 3.96Å; I237-Q284 HydrophobicContact CG2-CB 4.43Å; I237-Q284 HydrophobicContact CG2-CG 3.9Å |
| 238 | N | 91.7 | Very high | 88.3 | Confident | 58 Ų | 58 | 28.6 Ų | 28.6 | 31% | 0.31 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 178.9 | -67.9 | -24.7 | 0 | 0 | 0 | 111.9 | D234 Q235 A241 L242 L303 | D234-N238 PolarHBondContact O-N 3.5Å; D234-N238 PolarHBondContact O-ND2 2.74Å; Q235-N238 PolarHBondContact O-N 2.94Å; N238-A241 PolarHBondContact O-N 3.34Å; N238-L242 WeakPolarHBondContact O-CG 3.36Å; N238-L242 PolarHBondContact O-N 3.28Å; N238-L303 HydrophobicContact CB-CD2 4.12Å |
| 239 | L | 92.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.4 | -41.5 | 176.8 | -73.3 | 161.6 | 0 | 0 | 0 | 111.5 | I224 I231 Q235 A236 A241 L242 Q243 Y300 L303 | I224-L239 HydrophobicContact CD1-CD1 3.69Å; I224-L239 HydrophobicContact CD1-CD2 4.34Å; I231-L239 HydrophobicContact CD1-CD1 3.62Å; I231-L239 HydrophobicContact CG2-CD1 4.48Å; Q235-L239 WeakPolarHBondContact O-CB 3.32Å; Q235-L239 WeakPolarHBondContact O-CG 3.3Å; Q235-L239 PolarHBondContact O-N 2.84Å; A236-L239 PolarHBondContact O-N 3.12Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 2.71Å; L239-L242 PolarHBondContact O-N 3.07Å; L239-Q243 WeakPolarHBondContact O-CB 3.41Å; L239-Q243 PolarHBondContact O-N 3.25Å; L239-Y300 HydrophobicContact CB-CE2 3.86Å; L239-Y300 HydrophobicContact CD2-CD1 4.08Å; L239-Y300 HydrophobicContact CD2-CD2 3.75Å; L239-Y300 HydrophobicContact CD2-CE1 3.97Å; L239-Y300 HydrophobicContact CD2-CE2 3.64Å; L239-Y300 HydrophobicContact CD2-CG 3.96Å; L239-Y300 HydrophobicContact CG-CE2 4.37Å; L239-Y300 VanDerWaalsContact O-CE2 3.32Å; L239-Y300 WeakPolarHBondContact O-CE2 3.43Å; L239-L303 HydrophobicContact CD2-CB 4.39Å; L239-L303 HydrophobicContact CD2-CD2 3.8Å; L239-L303 HydrophobicContact CD2-CG 4.24Å; L239-L303 HydrophobicContact CG-CD2 3.87Å |
| 240 | A | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A236 I237 Q243 C244 R266 L267 I281 | A236-A240 WeakPolarHBondContact O-CB 2.93Å; A236-A240 PolarHBondContact O-N 2.77Å; I237-A240 PolarHBondContact O-N 3.23Å; A240-Q243 PolarHBondContact O-N 3.22Å; A240-C244 PolarHBondContact O-N 3.46Å; A240-C244 PolarHBondContact O-SG 3.38Å; A240-R266 HydrophobicContact CB-CB 4.38Å; A240-L267 HydrophobicContact CB-CD2 4.02Å; A240-I281 HydrophobicContact CB-CD1 3.77Å; A240-I281 HydrophobicContact CB-CG1 4.07Å; A240-I281 HydrophobicContact CB-CG2 4.24Å |
| 241 | A | 90.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I237 N238 L239 C244 Q245 Q284 L288 | I237-A241 WeakPolarHBondContact O-CB 3.42Å; I237-A241 PolarHBondContact O-N 3.01Å; N238-A241 PolarHBondContact O-N 3.34Å; L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 2.71Å; A241-C244 WeakPolarHBondContact O-CB 3.12Å; A241-C244 PolarHBondContact O-N 3.12Å; A241-Q245 PolarHBondContact O-N 2.75Å; A241-Q284 HydrophobicContact CB-CB 3.77Å; A241-L288 VanDerWaalsContact C-CD1 3.49Å; A241-L288 HydrophobicContact CB-CD1 3.84Å; A241-L288 WeakPolarHBondContact O-CD1 2.98Å |
| 242 | L | 91.4 | Very high | 87 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 174.4 | -74.6 | 167.4 | 0 | 0 | 0 | 112.1 | N238 L239 Q245 A246 L288 R299 Y300 L303 | N238-L242 WeakPolarHBondContact O-CG 3.36Å; N238-L242 PolarHBondContact O-N 3.28Å; L239-L242 PolarHBondContact O-N 3.07Å; L242-Q245 PolarHBondContact O-N 3.18Å; L242-A246 WeakPolarHBondContact O-CB 3.28Å; L242-A246 PolarHBondContact O-N 2.82Å; L242-L288 HydrophobicContact CD2-CD1 3.9Å; L242-L288 HydrophobicContact CD2-CD2 3.79Å; L242-L288 HydrophobicContact CG-CD1 4.11Å; L242-L288 HydrophobicContact CG-CD2 4.4Å; L242-R299 HydrophobicContact CD1-CB 4.41Å; L242-R299 HydrophobicContact CD2-CB 3.89Å; L242-Y300 HydrophobicContact CB-CD2 3.84Å; L242-L303 HydrophobicContact CD1-CD2 4.06Å |
| 243 | Q | 91 | Very high | 86 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 174.5 | -173.7 | 175 | -0 | 0 | 0 | 111.4 | Y217 K221 L239 A240 A246 E247 D265 R266 Y300 | Y217-Q243 WeakPolarHBondContact OH-CG 3.32Å; K221-Q243 HydrophobicContact CD-CG 4.42Å; L239-Q243 WeakPolarHBondContact O-CB 3.41Å; L239-Q243 PolarHBondContact O-N 3.25Å; A240-Q243 PolarHBondContact O-N 3.22Å; Q243-A246 PolarHBondContact O-N 3.27Å; Q243-E247 HydrophobicContact CG-CG 4.46Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.16Å; Q243-E247 PolarHBondContact NE2-OE1 3.12Å; Q243-E247 WeakPolarHBondContact O-CB 3.28Å; Q243-E247 WeakPolarHBondContact O-CG 3.36Å; Q243-E247 PolarHBondContact O-N 3.36Å; Q243-D265 PolarHBondContact NE2-O 3.24Å; Q243-R266 VanDerWaalsContact OE1-CD 3.31Å; Q243-Y300 HydrophobicContact CB-CE2 4.17Å |
| 244 | C | 87.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 171.4 | -72.6 | 0 | 0 | 0 | 0 | 112 | A240 A241 A246 E247 Y248 R266 Y285 | A240-C244 PolarHBondContact O-N 3.46Å; A240-C244 PolarHBondContact O-SG 3.38Å; A241-C244 WeakPolarHBondContact O-CB 3.12Å; A241-C244 PolarHBondContact O-N 3.12Å; C244-A246 PolarHBondContact O-N 3.03Å; C244-E247 PolarHBondContact O-N 3.3Å; C244-Y248 HydrophobicContact CB-CD2 4.39Å; C244-Y248 WeakPolarHBondContact O-CA 3.29Å; C244-Y248 WeakPolarHBondContact O-CB 3.09Å; C244-Y248 PolarHBondContact O-N 3.31Å; C244-R266 PolarHBondContact SG-NH1 3Å; C244-Y285 HydrophobicContact CB-CD1 4.24Å; C244-Y285 HydrophobicContact CB-CD2 3.95Å; C244-Y285 HydrophobicContact CB-CE1 4.15Å; C244-Y285 HydrophobicContact CB-CE2 3.87Å; C244-Y285 HydrophobicContact CB-CG 4.14Å |
| 245 | Q | 88.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.3 | -169.5 | 77.7 | 20.1 | 0 | 0 | 112.2 | A241 L242 G249 Y285 L288 G289 Y291 A296 | A241-Q245 PolarHBondContact O-N 2.75Å; L242-Q245 PolarHBondContact O-N 3.18Å; Q245-G249 VanDerWaalsContact O-CA 3.28Å; Q245-G249 WeakPolarHBondContact O-CA 3.4Å; Q245-G249 PolarHBondContact O-N 3.26Å; Q245-G249 PolarHBondContact OE1-O 3.35Å; Q245-Y285 HydrophobicContact CB-CD2 4.33Å; Q245-Y285 HydrophobicContact CB-CE2 4Å; Q245-L288 HydrophobicContact CB-CD1 4.28Å; Q245-G289 PolarHBondContact NE2-O 3.06Å; Q245-Y291 PolarHBondContact NE2-O 3.37Å; Q245-A296 HydrophobicContact CB-CB 4.07Å; Q245-A296 HydrophobicContact CG-CB 3.9Å |
| 246 | A | 87.4 | Confident | 82.5 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L242 Q243 C244 A296 K297 | L242-A246 WeakPolarHBondContact O-CB 3.28Å; L242-A246 PolarHBondContact O-N 2.82Å; Q243-A246 PolarHBondContact O-N 3.27Å; C244-A246 PolarHBondContact O-N 3.03Å; A246-A296 HydrophobicContact CB-CB 4.02Å; A246-K297 HydrophobicContact CB-CG 4.19Å |
| 247 | E | 85.3 | Confident | 81.2 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 39% | 0.393 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -92.2 | -29.1 | -175.5 | -65 | -174.2 | -159.1 | 0 | 0 | 113.6 | K221 Q243 C244 R266 | K221-E247 IonicContact NZ-OE1 2.95Å; K221-E247 PolarHBondContact NZ-OE1 3.29Å; Q243-E247 HydrophobicContact CG-CG 4.46Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.16Å; Q243-E247 PolarHBondContact NE2-OE1 3.12Å; Q243-E247 WeakPolarHBondContact O-CB 3.28Å; Q243-E247 WeakPolarHBondContact O-CG 3.36Å; Q243-E247 PolarHBondContact O-N 3.36Å; C244-E247 PolarHBondContact O-N 3.3Å; E247-R266 IonicContact OE1-NE 2.72Å; E247-R266 IonicContact OE2-CZ 3.92Å; E247-R266 VanDerWaalsContact OE2-CZ 3.22Å; E247-R266 IonicContact OE2-NE 2.83Å; E247-R266 PolarHBondContact OE2-NE 3.33Å; E247-R266 IonicContact OE2-NH2 3.7Å; E247-R266 PolarHBondContact OE2-NH2 2.85Å |
| 248 | Y | 83 | Confident | 79.7 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 50% | 0.498 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -117.6 | -9.5 | -175.5 | -58.3 | -57.9 | 0 | 0 | 0 | 115.1 | C244 R266 | C244-Y248 HydrophobicContact CB-CD2 4.39Å; C244-Y248 WeakPolarHBondContact O-CA 3.29Å; C244-Y248 WeakPolarHBondContact O-CB 3.09Å; C244-Y248 PolarHBondContact O-N 3.31Å; Y248-R266 VanDerWaalsContact CZ-NH2 3.34Å; Y248-R266 PolarHBondContact OH-NH2 2.87Å |
| 249 | G | 82.7 | Confident | 78.3 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 22% | 0.216 | 31% | 0.309 | C | S | . | . | trans | 80.1 | -156.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q245 Y285 | Q245-G249 VanDerWaalsContact O-CA 3.28Å; Q245-G249 WeakPolarHBondContact O-CA 3.4Å; Q245-G249 PolarHBondContact O-N 3.26Å; Q245-G249 PolarHBondContact OE1-O 3.35Å; G249-Y285 WeakPolarHBondContact O-CE2 3.5Å; G249-Y285 PolarHBondContact O-OH 2.98Å | ||
| 250 | P | 81.5 | Confident | 77.1 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 40% | 0.403 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -70.1 | 146.5 | 179.7 | 25.1 | -31.8 | 0 | 0 | 0 | 113.2 | V252 | P250-V252 PolarHBondContact O-N 2.89Š|
| 251 | M | 72.2 | Confident | 76.1 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 26% | 0.256 | 34% | 0.344 | S | S | . | . | trans | -62.4 | 105 | -176.5 | 175.6 | 161.2 | -180 | 0 | 0 | 112.9 | I256 L282 Y285 Q286 | M251-I256 HydrophobicContact CE-CD1 3.66Å; M251-I256 HydrophobicContact CG-CD1 3.58Å; M251-I256 HydrophobicContact SD-CD1 3.97Å; M251-L282 HydrophobicContact CE-CB 4.38Å; M251-L282 HydrophobicContact CE-CD2 4.12Å; M251-Y285 HydrophobicContact CB-CD1 3.84Å; M251-Y285 HydrophobicContact CB-CE1 3.71Å; M251-Y285 HydrophobicContact CB-CE2 4.4Å; M251-Y285 HydrophobicContact CB-CG 4.27Å; M251-Y285 HydrophobicContact CG-CD1 4.05Å; M251-Y285 HydrophobicContact CG-CE1 4.1Å; M251-Y285 HydrophobicContact SD-CD1 3.78Å; M251-Y285 HydrophobicContact SD-CE1 4.41Å; M251-Y285 HydrophobicContact SD-CG 4.33Å; M251-Q286 HydrophobicContact SD-CB 3.77Å; M251-Q286 HydrophobicContact SD-CG 4.41Å | ||
| 252 | V | 72.9 | Confident | 75.5 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | trans | -100 | 114.1 | 167.1 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | P250 E254 K255 | P250-V252 PolarHBondContact O-N 2.89Å; V252-E254 HydrophobicContact CG1-CB 4.27Å; V252-E254 PolarHBondContact O-N 2.66Å; V252-K255 HydrophobicContact CB-CB 4.46Å; V252-K255 HydrophobicContact CB-CD 4.31Å; V252-K255 HydrophobicContact CB-CG 4.22Å; V252-K255 HydrophobicContact CG1-CG 4.48Å; V252-K255 PolarHBondContact O-N 2.95Å | ||
| 253 | P | 67.5 | Low | 75 | Confident | 87 Ų | 87 | 74 Ų | 74 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.2 | -24.2 | -174 | 20.7 | -31.4 | 0 | 0 | 0 | 113.7 | ||
| 254 | E | 63.9 | Low | 74.5 | Confident | 136 Ų | 136 | 80.8 Ų | 80.8 | 64% | 0.636 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.5 | -31.1 | 176.3 | -61 | -172.9 | 168.2 | 0 | 0 | 113.8 | V252 | V252-E254 HydrophobicContact CG1-CB 4.27Å; V252-E254 PolarHBondContact O-N 2.66Å |
| 255 | K | 65.8 | Low | 74.3 | Confident | 144 Ų | 144 | 85.5 Ų | 85.5 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -76.2 | -33.9 | -179.4 | -72.2 | -174.5 | 177.9 | -179.7 | 0 | 112.2 | V252 R258 N259 | V252-K255 HydrophobicContact CB-CB 4.46Å; V252-K255 HydrophobicContact CB-CD 4.31Å; V252-K255 HydrophobicContact CB-CG 4.22Å; V252-K255 HydrophobicContact CG1-CG 4.48Å; V252-K255 PolarHBondContact O-N 2.95Å; K255-R258 PolarHBondContact O-N 3.47Å; K255-N259 PolarHBondContact O-N 2.96Å; K255-N259 VanDerWaalsContact O-N 3.14Å |
| 256 | I | 65.2 | Low | 74.1 | Confident | 32 Ų | 32 | 86 Ų | 86 | 16% | 0.164 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -71.2 | -31.8 | -177.7 | -65.1 | 167 | 0 | 0 | 0 | 111.8 | M251 R258 N259 L282 Y285 | M251-I256 HydrophobicContact CE-CD1 3.66Å; M251-I256 HydrophobicContact CG-CD1 3.58Å; M251-I256 HydrophobicContact SD-CD1 3.97Å; I256-R258 VanDerWaalsContact C-N 3.27Å; I256-R258 PolarHBondContact O-N 3.49Å; I256-N259 CarbonylContact O-C 3.59Å; I256-L282 HydrophobicContact CD1-CD2 3.89Å; I256-L282 HydrophobicContact CG2-CD2 3.9Å; I256-Y285 HydrophobicContact CD1-CD1 4.3Å; I256-Y285 HydrophobicContact CD1-CE1 4.01Å |
| 257 | K | 62 | Low | 74 | Confident | 190 Ų | 190 | 85.7 Ų | 85.7 | 83% | 0.826 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.5 | -25 | 173 | -71.9 | -177.4 | 180 | 178.6 | 0 | 113.2 | ||
| 258 | R | 59.4 | Low | 73.9 | Confident | 199 Ų | 199 | 81.9 Ų | 81.9 | 75% | 0.751 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -85.2 | -37.3 | -179.4 | -67.9 | -177.8 | -174.9 | -177.7 | 3.7 | 112.1 | K255 I256 | K255-R258 PolarHBondContact O-N 3.47Å; I256-R258 VanDerWaalsContact C-N 3.27Å; I256-R258 PolarHBondContact O-N 3.49Å |
| 259 | N | 62.7 | Low | 73.9 | Confident | 118 Ų | 118 | 82 Ų | 82 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -126 | 99.1 | 176.4 | -73.7 | -5.1 | 0 | 0 | 0 | 109.7 | K255 I256 | K255-N259 PolarHBondContact O-N 2.96Å; K255-N259 VanDerWaalsContact O-N 3.14Å; I256-N259 CarbonylContact O-C 3.59Å |
| 260 | P | 66.8 | Low | 73.8 | Confident | 103 Ų | 103 | 84.4 Ų | 84.4 | 67% | 0.669 | 41% | 0.414 | S | S | * | . | trans | -60.3 | 142.2 | 173.5 | 25.5 | -32.4 | 0 | 0 | 0 | 110.2 | D262 | P260-D262 PolarHBondContact O-N 3.27Š| ||
| 261 | I | 70.3 | Confident | 73.9 | Confident | 13 Ų | 13 | 82.1 Ų | 82.1 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | trans | -69.6 | 119.5 | -178.2 | -60.8 | 170.5 | 0 | 0 | 0 | 108.2 | L263 R266 L282 | I261-L263 PolarHBondContact O-N 2.93Å; I261-L263 VanDerWaalsContact O-N 3.13Å; I261-R266 HydrophobicContact CG2-CG 4.29Å; I261-L282 HydrophobicContact CD1-CD2 3.7Å; I261-L282 HydrophobicContact CD1-CG 4.45Å | ||
| 262 | D | 77.8 | Confident | 74.4 | Confident | 78 Ų | 78 | 82.1 Ų | 82.1 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | trans | -71.6 | 109.9 | 172.1 | -164.1 | -13.4 | 0 | 0 | 0 | 109.5 | P260 K264 D265 R266 | P260-D262 PolarHBondContact O-N 3.27Å; D262-K264 PolarHBondContact O-N 3.46Å; D262-K264 WeakPolarHBondContact OD1-CB 3.31Å; D262-K264 WeakPolarHBondContact OD1-CG 3.1Å; D262-K264 PolarHBondContact OD1-N 3.5Å; D262-D265 PolarHBondContact O-N 3Å; D262-R266 WeakPolarHBondContact O-CG 3.31Å | ||
| 263 | L | 82.1 | Confident | 74.8 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 18% | 0.183 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -66.8 | -20.1 | 179.5 | -61.7 | 179.2 | 0 | 0 | 0 | 112.2 | I261 D265 L267 I272 E278 I281 | I261-L263 PolarHBondContact O-N 2.93Å; I261-L263 VanDerWaalsContact O-N 3.13Å; L263-D265 VanDerWaalsContact C-N 3.33Å; L263-D265 PolarHBondContact O-N 3.34Å; L263-L267 HydrophobicContact CB-CD1 4.37Å; L263-L267 HydrophobicContact CD2-CD1 4.09Å; L263-L267 PolarHBondContact O-N 2.8Å; L263-I272 HydrophobicContact CB-CG2 4.4Å; L263-E278 HydrophobicContact CD2-CB 4.37Å; L263-I281 HydrophobicContact CD2-CD1 4.18Å |
| 264 | K | 80 | Confident | 75.5 | Confident | 146 Ų | 146 | 86.8 Ų | 86.8 | 64% | 0.635 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -67.6 | -32.7 | -179 | -67.7 | 176.9 | 179.6 | 174.9 | 0 | 113.2 | D262 I272 | D262-K264 PolarHBondContact O-N 3.46Å; D262-K264 WeakPolarHBondContact OD1-CB 3.31Å; D262-K264 WeakPolarHBondContact OD1-CG 3.1Å; D262-K264 PolarHBondContact OD1-N 3.5Å; K264-I272 HydrophobicContact CB-CD1 4.49Å; K264-I272 HydrophobicContact CG-CD1 4.21Å |
| 265 | D | 82.4 | Confident | 76.3 | Confident | 98 Ų | 98 | 90.3 Ų | 90.3 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -94 | -4 | -175.1 | -63.9 | -14.6 | 0 | 0 | 0 | 112.9 | L225 Q243 D262 L263 | L225-D265 VanDerWaalsContact CD1-O 3.26Å; L225-D265 WeakPolarHBondContact CD1-O 3.41Å; L225-D265 WeakPolarHBondContact CD2-O 3.39Å; Q243-D265 PolarHBondContact NE2-O 3.24Å; D262-D265 PolarHBondContact O-N 3Å; L263-D265 VanDerWaalsContact C-N 3.33Å; L263-D265 PolarHBondContact O-N 3.34Å |
| 266 | R | 84.2 | Confident | 77.1 | Confident | 13 Ų | 13 | 85.8 Ų | 85.8 | 5% | 0.049 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -14.1 | -170.5 | -56.5 | -56.4 | 175 | 80.7 | 5.2 | 114.4 | A240 Q243 C244 E247 Y248 I261 D262 | A240-R266 HydrophobicContact CB-CB 4.38Å; Q243-R266 VanDerWaalsContact OE1-CD 3.31Å; C244-R266 PolarHBondContact SG-NH1 3Å; E247-R266 IonicContact OE1-NE 2.72Å; E247-R266 IonicContact OE2-CZ 3.92Å; E247-R266 VanDerWaalsContact OE2-CZ 3.22Å; E247-R266 IonicContact OE2-NE 2.83Å; E247-R266 PolarHBondContact OE2-NE 3.33Å; E247-R266 IonicContact OE2-NH2 3.7Å; E247-R266 PolarHBondContact OE2-NH2 2.85Å; Y248-R266 VanDerWaalsContact CZ-NH2 3.34Å; Y248-R266 PolarHBondContact OH-NH2 2.87Å; I261-R266 HydrophobicContact CG2-CG 4.29Å; D262-R266 WeakPolarHBondContact O-CG 3.31Å |
| 267 | L | 86.1 | Confident | 78 | Confident | 2 Ų | 2 | 84.4 Ų | 84.4 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -132.3 | 146.7 | -179.7 | -69.1 | 169.5 | 0 | 0 | 0 | 111.2 | A236 A240 L263 I272 I277 I281 | A236-L267 HydrophobicContact CB-CD2 3.9Å; A240-L267 HydrophobicContact CB-CD2 4.02Å; L263-L267 HydrophobicContact CB-CD1 4.37Å; L263-L267 HydrophobicContact CD2-CD1 4.09Å; L263-L267 PolarHBondContact O-N 2.8Å; L267-I272 HydrophobicContact CB-CG1 4.37Å; L267-I277 HydrophobicContact CD1-CG2 3.55Å; L267-I281 HydrophobicContact CD1-CD1 3.91Å; L267-I281 HydrophobicContact CD2-CD1 4.21Å; L267-I281 HydrophobicContact CG-CD1 4.22Å |
| 268 | P | 84.1 | Confident | 79.1 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | trans | -52.6 | 145.1 | 164.3 | -22.7 | 30.6 | 0 | 0 | 0 | 111.6 | I224 I231 E270 Y271 | I224-P268 HydrophobicContact CG2-CG 4.09Å; I224-P268 WeakPolarHBondContact O-CG 3.43Å; I231-P268 HydrophobicContact CD1-CG 4.46Å; I231-P268 HydrophobicContact CG1-CG 4.45Å; P268-E270 HydrophobicContact CB-CG 3.85Å; P268-E270 PolarHBondContact O-N 2.89Å; P268-Y271 HydrophobicContact CB-CD2 4.17Å; P268-Y271 HydrophobicContact CG-CD2 4Å; P268-Y271 HydrophobicContact CG-CE2 4.3Å; P268-Y271 PolarHBondContact O-N 2.81Å | ||
| 269 | K | 81.8 | Confident | 80.3 | Confident | 130 Ų | 130 | 76.4 Ų | 76.4 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28.1 | -178.8 | -67.6 | -176.9 | 179.5 | 179.9 | 0 | 113.9 | H167 Y271 | H167-K269 WeakPolarHBondContact CE1-CE 3.26Å; H167-K269 PolarHBondContact CE1-NZ 3.34Å; H167-K269 PolarHBondContact NE2-NZ 2.78Å; K269-Y271 VanDerWaalsContact C-N 3.35Å |
| 270 | E | 80.2 | Confident | 81.6 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -29.9 | 178.1 | 53.8 | 178.6 | -157.9 | 0 | 0 | 114 | P268 K347 | P268-E270 HydrophobicContact CB-CG 3.85Å; P268-E270 PolarHBondContact O-N 2.89Å; E270-K347 VanDerWaalsContact CD-NZ 3.26Å; E270-K347 IonicContact OE1-NZ 3.43Å; E270-K347 PolarHBondContact OE1-NZ 2.84Å; E270-K347 IonicContact OE2-NZ 3.24Å; E270-K347 PolarHBondContact OE2-NZ 3.45Å |
| 271 | Y | 84.9 | Confident | 82.6 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -15.5 | -175.5 | -60 | -47.6 | 0 | 0 | 0 | 114 | I231 Q233 A236 P268 K269 K273 S274 I277 | I231-Y271 WeakPolarHBondContact O-CE2 3.05Å; I231-Y271 PolarHBondContact O-OH 3.29Å; Q233-Y271 HydrophobicContact CB-CD1 3.99Å; Q233-Y271 HydrophobicContact CB-CE1 3.72Å; Q233-Y271 HydrophobicContact CG-CD1 4.04Å; Q233-Y271 HydrophobicContact CG-CE1 4.29Å; Q233-Y271 HydrophobicContact CG-CG 4.48Å; Q233-Y271 PolarHBondContact N-OH 3.15Å; A236-Y271 HydrophobicContact CB-CD2 3.7Å; A236-Y271 HydrophobicContact CB-CE2 3.93Å; P268-Y271 HydrophobicContact CB-CD2 4.17Å; P268-Y271 HydrophobicContact CG-CD2 4Å; P268-Y271 HydrophobicContact CG-CE2 4.3Å; P268-Y271 PolarHBondContact O-N 2.81Å; K269-Y271 VanDerWaalsContact C-N 3.35Å; Y271-K273 PolarHBondContact O-N 3.21Å; Y271-S274 WeakPolarHBondContact O-CB 3.44Å; Y271-S274 PolarHBondContact O-N 2.94Å; Y271-I277 WeakPolarHBondContact O-CD1 3.49Å |
| 272 | I | 83.3 | Confident | 83.3 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.8 | -178 | -59.8 | 174.4 | 0 | 0 | 0 | 112.4 | L263 K264 L267 | L263-I272 HydrophobicContact CB-CG2 4.4Å; K264-I272 HydrophobicContact CB-CD1 4.49Å; K264-I272 HydrophobicContact CG-CD1 4.21Å; L267-I272 HydrophobicContact CB-CG1 4.37Å |
| 273 | K | 80.5 | Confident | 83.7 | Confident | 197 Ų | 197 | 71.7 Ų | 71.7 | 86% | 0.857 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -3.1 | -176.9 | -63.7 | -175.4 | -179.5 | -178.7 | 0 | 114.7 | Y271 | Y271-K273 PolarHBondContact O-N 3.21Š|
| 274 | S | 81.7 | Confident | 84 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -78.8 | 128 | -176.5 | -95.2 | 0 | 0 | 0 | 0 | 111.4 | Y271 G276 | Y271-S274 WeakPolarHBondContact O-CB 3.44Å; Y271-S274 PolarHBondContact O-N 2.94Å; S274-G276 PolarHBondContact O-N 2.85Å |
| 275 | K | 81.4 | Confident | 84.4 | Confident | 211 Ų | 211 | 66.2 Ų | 66.2 | 92% | 0.917 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 133.1 | -174.3 | -67.4 | -175.4 | 178.8 | -177.9 | 0 | 111.6 | I277 | K275-I277 PolarHBondContact O-N 3.21Š|
| 276 | G | 81.8 | Confident | 84.6 | Confident | 49 Ų | 49 | 68 Ų | 68 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 6.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S274 K279 R280 | S274-G276 PolarHBondContact O-N 2.85Å; G276-K279 PolarHBondContact O-N 3.34Å; G276-R280 PolarHBondContact O-N 2.91Å |
| 277 | I | 85 | Confident | 84.7 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | -179.8 | -76.3 | 176.9 | 0 | 0 | 0 | 112.5 | Q233 I237 L267 Y271 K275 K279 R280 I281 | Q233-I277 HydrophobicContact CG-CD1 4.17Å; I237-I277 HydrophobicContact CG1-CG2 4.21Å; L267-I277 HydrophobicContact CD1-CG2 3.55Å; Y271-I277 WeakPolarHBondContact O-CD1 3.49Å; K275-I277 PolarHBondContact O-N 3.21Å; I277-K279 VanDerWaalsContact C-N 3.26Å; I277-K279 PolarHBondContact O-N 2.9Å; I277-R280 WeakPolarHBondContact O-CA 3.33Å; I277-R280 PolarHBondContact O-N 3.48Å; I277-I281 HydrophobicContact CG2-CD1 3.55Å; I277-I281 HydrophobicContact CG2-CG1 4Å; I277-I281 WeakPolarHBondContact O-CG1 3.25Å; I277-I281 PolarHBondContact O-N 3.26Å |
| 278 | E | 83.9 | Confident | 84.6 | Confident | 84 Ų | 84 | 76 Ų | 76 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -54.6 | -44.4 | 179 | -173.3 | -176.8 | -179.8 | 0 | 0 | 111.4 | L263 R280 I281 L282 | L263-E278 HydrophobicContact CD2-CB 4.37Å; E278-R280 PolarHBondContact O-N 3.33Å; E278-I281 PolarHBondContact O-N 3.21Å; E278-L282 HydrophobicContact CG-CD1 4.38Å; E278-L282 VanDerWaalsContact O-CG 3.3Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 3.49Å |
| 279 | K | 86.1 | Confident | 84.4 | Confident | 136 Ų | 136 | 77.5 Ų | 77.5 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 175.7 | -170 | -173.3 | 178.3 | -164.5 | 0 | 111.8 | G276 I277 L282 E283 | G276-K279 PolarHBondContact O-N 3.34Å; I277-K279 VanDerWaalsContact C-N 3.26Å; I277-K279 PolarHBondContact O-N 2.9Å; K279-L282 PolarHBondContact O-N 3Å; K279-E283 WeakPolarHBondContact CE-OE1 3.4Å; K279-E283 IonicContact NZ-OE1 2.74Å; K279-E283 WeakPolarHBondContact O-CG 3.41Å; K279-E283 PolarHBondContact O-N 3.33Å |
| 280 | R | 88.2 | Confident | 84.3 | Confident | 95 Ų | 95 | 78 Ų | 78 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 178.4 | -64.6 | -175.7 | 70.6 | -160.2 | -4 | 112.3 | D234 I237 G276 I277 E278 E283 Q284 | D234-R280 IonicContact OD1-CZ 2.78Å; D234-R280 IonicContact OD1-NH1 3.86Å; D234-R280 PolarHBondContact OD1-NH1 3.47Å; D234-R280 IonicContact OD1-NH2 3.62Å; D234-R280 PolarHBondContact OD1-NH2 3.39Å; I237-R280 HydrophobicContact CD1-CB 3.95Å; I237-R280 HydrophobicContact CG2-CB 4.04Å; G276-R280 PolarHBondContact O-N 2.91Å; I277-R280 WeakPolarHBondContact O-CA 3.33Å; I277-R280 PolarHBondContact O-N 3.48Å; E278-R280 PolarHBondContact O-N 3.33Å; R280-E283 PolarHBondContact O-N 2.92Å; R280-Q284 WeakPolarHBondContact O-CG 3.32Å; R280-Q284 PolarHBondContact O-N 3.03Å |
| 281 | I | 88.3 | Confident | 84.4 | Confident | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 174.1 | -67.8 | 170.6 | 0 | 0 | 0 | 109.8 | I237 A240 L263 L267 I277 E278 E283 Q284 Y285 | I237-I281 HydrophobicContact CB-CG1 4.34Å; I237-I281 HydrophobicContact CG1-CG1 4.27Å; I237-I281 HydrophobicContact CG2-CG1 3.96Å; A240-I281 HydrophobicContact CB-CD1 3.77Å; A240-I281 HydrophobicContact CB-CG1 4.07Å; A240-I281 HydrophobicContact CB-CG2 4.24Å; L263-I281 HydrophobicContact CD2-CD1 4.18Å; L267-I281 HydrophobicContact CD1-CD1 3.91Å; L267-I281 HydrophobicContact CD2-CD1 4.21Å; L267-I281 HydrophobicContact CG-CD1 4.22Å; I277-I281 HydrophobicContact CG2-CD1 3.55Å; I277-I281 HydrophobicContact CG2-CG1 4Å; I277-I281 WeakPolarHBondContact O-CG1 3.25Å; I277-I281 PolarHBondContact O-N 3.26Å; E278-I281 PolarHBondContact O-N 3.21Å; I281-E283 PolarHBondContact O-N 2.92Å; I281-Q284 PolarHBondContact O-N 3.25Å; I281-Y285 WeakPolarHBondContact O-CB 3.48Å; I281-Y285 PolarHBondContact O-N 3.44Å |
| 282 | L | 85.4 | Confident | 84.4 | Confident | 36 Ų | 36 | 83.9 Ų | 83.9 | 19% | 0.188 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 177.4 | -69.5 | 171 | 0 | 0 | 0 | 112.2 | M251 I256 I261 E278 K279 Q284 Y285 Q286 | M251-L282 HydrophobicContact CE-CB 4.38Å; M251-L282 HydrophobicContact CE-CD2 4.12Å; I256-L282 HydrophobicContact CD1-CD2 3.89Å; I256-L282 HydrophobicContact CG2-CD2 3.9Å; I261-L282 HydrophobicContact CD1-CD2 3.7Å; I261-L282 HydrophobicContact CD1-CG 4.45Å; E278-L282 HydrophobicContact CG-CD1 4.38Å; E278-L282 VanDerWaalsContact O-CG 3.3Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 3.49Å; K279-L282 PolarHBondContact O-N 3Å; L282-Q284 PolarHBondContact O-N 3.04Å; L282-Y285 PolarHBondContact O-N 3.4Å; L282-Q286 WeakPolarHBondContact O-CB 3.47Å; L282-Q286 PolarHBondContact O-N 2.82Å |
| 283 | E | 87.3 | Confident | 84.6 | Confident | 81 Ų | 81 | 86.8 Ų | 86.8 | 38% | 0.379 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 175.3 | -74.2 | 170.1 | -171.6 | 0 | 0 | 112.2 | K279 R280 I281 K287 | K279-E283 WeakPolarHBondContact CE-OE1 3.4Å; K279-E283 IonicContact NZ-OE1 2.74Å; K279-E283 WeakPolarHBondContact O-CG 3.41Å; K279-E283 PolarHBondContact O-N 3.33Å; R280-E283 PolarHBondContact O-N 2.92Å; I281-E283 PolarHBondContact O-N 2.92Å; E283-K287 WeakPolarHBondContact O-CG 3.45Å; E283-K287 PolarHBondContact O-N 2.89Å |
| 284 | Q | 88 | Confident | 84.8 | Confident | 57 Ų | 57 | 83.8 Ų | 83.8 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73 | -39.2 | 175.6 | -69.6 | -62.7 | -2.7 | 0 | 0 | 112.3 | I237 A241 R280 I281 L282 Q286 K287 L288 | I237-Q284 HydrophobicContact CG2-CB 4.43Å; I237-Q284 HydrophobicContact CG2-CG 3.9Å; A241-Q284 HydrophobicContact CB-CB 3.77Å; R280-Q284 WeakPolarHBondContact O-CG 3.32Å; R280-Q284 PolarHBondContact O-N 3.03Å; I281-Q284 PolarHBondContact O-N 3.25Å; L282-Q284 PolarHBondContact O-N 3.04Å; Q284-Q286 VanDerWaalsContact C-N 3.28Å; Q284-Q286 PolarHBondContact O-N 2.98Å; Q284-K287 WeakPolarHBondContact O-CB 3.46Å; Q284-K287 PolarHBondContact O-N 3.31Å; Q284-L288 WeakPolarHBondContact O-CG 3.45Å; Q284-L288 PolarHBondContact O-N 3.28Å |
| 285 | Y | 87.7 | Confident | 85.1 | Confident | 8 Ų | 8 | 84.4 Ų | 84.4 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 176 | -178.6 | -145.1 | 0 | 0 | 0 | 111.3 | C244 Q245 G249 M251 I256 I281 L282 K287 L288 | C244-Y285 HydrophobicContact CB-CD1 4.24Å; C244-Y285 HydrophobicContact CB-CD2 3.95Å; C244-Y285 HydrophobicContact CB-CE1 4.15Å; C244-Y285 HydrophobicContact CB-CE2 3.87Å; C244-Y285 HydrophobicContact CB-CG 4.14Å; Q245-Y285 HydrophobicContact CB-CD2 4.33Å; Q245-Y285 HydrophobicContact CB-CE2 4Å; G249-Y285 WeakPolarHBondContact O-CE2 3.5Å; G249-Y285 PolarHBondContact O-OH 2.98Å; M251-Y285 HydrophobicContact CB-CD1 3.84Å; M251-Y285 HydrophobicContact CB-CE1 3.71Å; M251-Y285 HydrophobicContact CB-CE2 4.4Å; M251-Y285 HydrophobicContact CB-CG 4.27Å; M251-Y285 HydrophobicContact CG-CD1 4.05Å; M251-Y285 HydrophobicContact CG-CE1 4.1Å; M251-Y285 HydrophobicContact SD-CD1 3.78Å; M251-Y285 HydrophobicContact SD-CE1 4.41Å; M251-Y285 HydrophobicContact SD-CG 4.33Å; I256-Y285 HydrophobicContact CD1-CD1 4.3Å; I256-Y285 HydrophobicContact CD1-CE1 4.01Å; I281-Y285 WeakPolarHBondContact O-CB 3.48Å; I281-Y285 PolarHBondContact O-N 3.44Å; L282-Y285 PolarHBondContact O-N 3.4Å; Y285-K287 VanDerWaalsContact C-N 3.34Å; Y285-K287 PolarHBondContact O-N 2.96Å; Y285-L288 PolarHBondContact O-N 3.44Å |
| 286 | Q | 85.8 | Confident | 85.4 | Confident | 136 Ų | 136 | 74.4 Ų | 74.4 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.8 | -36.6 | 172.7 | -168.6 | 177.1 | 10.9 | 0 | 0 | 112.8 | M251 L282 Q284 L288 G289 | M251-Q286 HydrophobicContact SD-CB 3.77Å; M251-Q286 HydrophobicContact SD-CG 4.41Å; L282-Q286 WeakPolarHBondContact O-CB 3.47Å; L282-Q286 PolarHBondContact O-N 2.82Å; Q284-Q286 VanDerWaalsContact C-N 3.28Å; Q284-Q286 PolarHBondContact O-N 2.98Å; Q286-L288 VanDerWaalsContact C-N 3.31Å; Q286-L288 PolarHBondContact O-N 3.04Å; Q286-G289 PolarHBondContact O-N 2.77Å |
| 287 | K | 87.1 | Confident | 85.8 | Confident | 148 Ų | 148 | 73.2 Ų | 73.2 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.5 | -23 | 179.6 | -73.4 | 170.5 | -177.4 | 177.1 | 0 | 113.7 | E283 Q284 Y285 G289 | E283-K287 WeakPolarHBondContact O-CG 3.45Å; E283-K287 PolarHBondContact O-N 2.89Å; Q284-K287 WeakPolarHBondContact O-CB 3.46Å; Q284-K287 PolarHBondContact O-N 3.31Å; Y285-K287 VanDerWaalsContact C-N 3.34Å; Y285-K287 PolarHBondContact O-N 2.96Å; K287-G289 PolarHBondContact O-N 3.36Å |
| 288 | L | 84 | Confident | 86 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.5 | 178.8 | -71.1 | 174.5 | 0 | 0 | 0 | 112.7 | A241 L242 Q245 Q284 Y285 Q286 N290 Y291 | A241-L288 VanDerWaalsContact C-CD1 3.49Å; A241-L288 HydrophobicContact CB-CD1 3.84Å; A241-L288 WeakPolarHBondContact O-CD1 2.98Å; L242-L288 HydrophobicContact CD2-CD1 3.9Å; L242-L288 HydrophobicContact CD2-CD2 3.79Å; L242-L288 HydrophobicContact CG-CD1 4.11Å; L242-L288 HydrophobicContact CG-CD2 4.4Å; Q245-L288 HydrophobicContact CB-CD1 4.28Å; Q284-L288 WeakPolarHBondContact O-CG 3.45Å; Q284-L288 PolarHBondContact O-N 3.28Å; Y285-L288 PolarHBondContact O-N 3.44Å; Q286-L288 VanDerWaalsContact C-N 3.31Å; Q286-L288 PolarHBondContact O-N 3.04Å; L288-N290 PolarHBondContact O-N 3.39Å; L288-Y291 HydrophobicContact CB-CD2 3.94Å; L288-Y291 HydrophobicContact CB-CE2 4.2Å; L288-Y291 HydrophobicContact CD2-CD2 4.1Å; L288-Y291 HydrophobicContact CD2-CE2 3.82Å; L288-Y291 WeakPolarHBondContact O-CD2 3.4Å; L288-Y291 WeakPolarHBondContact O-CE2 3.47Å |
| 289 | G | 79.1 | Confident | 86.2 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | trans | 66.4 | -130.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q245 Q286 K287 | Q245-G289 PolarHBondContact NE2-O 3.06Å; Q286-G289 PolarHBondContact O-N 2.77Å; K287-G289 PolarHBondContact O-N 3.36Å | ||
| 290 | N | 80.8 | Confident | 86.4 | Confident | 140 Ų | 140 | 69.3 Ų | 69.3 | 75% | 0.749 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -111.4 | 45.6 | -172.5 | -65 | -17.5 | 0 | 0 | 0 | 112.4 | L288 D292 | L288-N290 PolarHBondContact O-N 3.39Å; N290-D292 PolarHBondContact O-N 2.71Å |
| 291 | Y | 82.5 | Confident | 86.4 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | trans | -64.6 | 134.4 | 171.4 | -70 | -56 | 0 | 0 | 0 | 111.2 | Q245 L288 E295 | Q245-Y291 PolarHBondContact NE2-O 3.37Å; L288-Y291 HydrophobicContact CB-CD2 3.94Å; L288-Y291 HydrophobicContact CB-CE2 4.2Å; L288-Y291 HydrophobicContact CD2-CD2 4.1Å; L288-Y291 HydrophobicContact CD2-CE2 3.82Å; L288-Y291 WeakPolarHBondContact O-CD2 3.4Å; L288-Y291 WeakPolarHBondContact O-CE2 3.47Å; Y291-E295 HydrophobicContact CD1-CB 4.24Å; Y291-E295 HydrophobicContact CD1-CG 3.41Å; Y291-E295 VanDerWaalsContact CD1-CG 3.41Å; Y291-E295 HydrophobicContact CE1-CG 3.94Å; Y291-E295 HydrophobicContact CG-CG 4.18Å | ||
| 292 | D | 84.2 | Confident | 86.4 | Confident | 126 Ų | 126 | 68.9 Ų | 68.9 | 67% | 0.674 | 33% | 0.326 | S | S | * | . | trans | -69.9 | 159.9 | 170.3 | -65.4 | -25.4 | 0 | 0 | 0 | 111 | N290 R294 E295 A296 | N290-D292 PolarHBondContact O-N 2.71Å; D292-R294 PolarHBondContact O-N 3.32Å; D292-R294 VanDerWaalsContact O-N 3.17Å; D292-E295 PolarHBondContact O-N 2.89Å; D292-A296 PolarHBondContact O-N 2.83Å | ||
| 293 | E | 87.1 | Confident | 86.6 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 52% | 0.523 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -50.9 | -43.6 | 179.9 | 179.5 | -173.9 | 163.5 | 0 | 0 | 112.3 | A296 K297 | E293-A296 PolarHBondContact O-N 2.95Å; E293-K297 HydrophobicContact CG-CD 4.25Å; E293-K297 WeakPolarHBondContact O-CB 3.45Å; E293-K297 WeakPolarHBondContact O-CG 3.18Å; E293-K297 PolarHBondContact O-N 2.84Å; E293-K297 WeakPolarHBondContact OE1-CE 3.37Å; E293-K297 IonicContact OE1-NZ 2.67Å; E293-K297 PolarHBondContact OE1-NZ 2.96Å |
| 294 | R | 85.4 | Confident | 86.6 | Confident | 135 Ų | 135 | 65.5 Ų | 65.5 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 179.2 | -177.3 | -177.6 | 177.8 | 162.1 | 6.9 | 112 | R208 L213 D292 K297 L298 | R208-R294 PolarHBondContact O-NH2 2.78Å; L213-R294 HydrophobicContact CD2-CG 4.28Å; D292-R294 PolarHBondContact O-N 3.32Å; D292-R294 VanDerWaalsContact O-N 3.17Å; R294-K297 PolarHBondContact O-N 3.46Å; R294-L298 WeakPolarHBondContact O-CB 3.49Å; R294-L298 PolarHBondContact O-N 3.47Å |
| 295 | E | 87.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 66.7 Ų | 66.7 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.4 | -39.5 | -179.6 | -174.5 | 60.8 | -157.5 | 0 | 0 | 110.3 | Y291 D292 K297 L298 R299 | Y291-E295 HydrophobicContact CD1-CB 4.24Å; Y291-E295 HydrophobicContact CD1-CG 3.41Å; Y291-E295 VanDerWaalsContact CD1-CG 3.41Å; Y291-E295 HydrophobicContact CE1-CG 3.94Å; Y291-E295 HydrophobicContact CG-CG 4.18Å; D292-E295 PolarHBondContact O-N 2.89Å; E295-K297 PolarHBondContact O-N 3.05Å; E295-L298 PolarHBondContact O-N 3.42Å; E295-R299 HydrophobicContact CG-CG 4.43Å; E295-R299 WeakPolarHBondContact O-CB 3.34Å; E295-R299 WeakPolarHBondContact O-CG 3.4Å; E295-R299 PolarHBondContact O-N 3.49Å; E295-R299 IonicContact OE1-CZ 3.21Å; E295-R299 IonicContact OE1-NE 3.15Å; E295-R299 PolarHBondContact OE1-NE 3.16Å; E295-R299 IonicContact OE1-NH2 2.88Å; E295-R299 PolarHBondContact OE1-NH2 3.05Å |
| 296 | A | 89.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q245 A246 D292 E293 R299 Y300 | Q245-A296 HydrophobicContact CB-CB 4.07Å; Q245-A296 HydrophobicContact CG-CB 3.9Å; A246-A296 HydrophobicContact CB-CB 4.02Å; D292-A296 PolarHBondContact O-N 2.83Å; E293-A296 PolarHBondContact O-N 2.95Å; A296-R299 PolarHBondContact O-N 3.01Å; A296-Y300 WeakPolarHBondContact O-CB 3.45Å; A296-Y300 PolarHBondContact O-N 2.87Å |
| 297 | K | 89.5 | Confident | 86.4 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.6 | -73.3 | 177.4 | 178 | 175.2 | 0 | 112.1 | L213 N214 Y217 A246 E293 R294 E295 Y300 V301 | L213-K297 HydrophobicContact CD2-CB 4.4Å; L213-K297 HydrophobicContact CG-CB 4.48Å; N214-K297 WeakPolarHBondContact OD1-CE 3.36Å; N214-K297 PolarHBondContact OD1-NZ 3.04Å; Y217-K297 HydrophobicContact CD1-CD 4.04Å; Y217-K297 HydrophobicContact CD1-CG 3.93Å; Y217-K297 HydrophobicContact CD2-CB 4.34Å; Y217-K297 HydrophobicContact CD2-CG 4.02Å; Y217-K297 HydrophobicContact CE1-CD 4.46Å; Y217-K297 HydrophobicContact CE1-CG 4.22Å; Y217-K297 HydrophobicContact CE2-CG 4.3Å; Y217-K297 HydrophobicContact CG-CB 4.27Å; Y217-K297 HydrophobicContact CG-CD 4.28Å; Y217-K297 HydrophobicContact CG-CG 3.81Å; A246-K297 HydrophobicContact CB-CG 4.19Å; E293-K297 HydrophobicContact CG-CD 4.25Å; E293-K297 WeakPolarHBondContact O-CB 3.45Å; E293-K297 WeakPolarHBondContact O-CG 3.18Å; E293-K297 PolarHBondContact O-N 2.84Å; E293-K297 WeakPolarHBondContact OE1-CE 3.37Å; E293-K297 IonicContact OE1-NZ 2.67Å; E293-K297 PolarHBondContact OE1-NZ 2.96Å; R294-K297 PolarHBondContact O-N 3.46Å; E295-K297 PolarHBondContact O-N 3.05Å; K297-Y300 WeakPolarHBondContact O-CB 3.43Å; K297-Y300 PolarHBondContact O-N 2.74Å; K297-V301 WeakPolarHBondContact O-CG2 3.36Å; K297-V301 PolarHBondContact O-N 2.97Å |
| 298 | L | 88.3 | Confident | 86.3 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 15% | 0.152 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 176.7 | -177.4 | 64.3 | 0 | 0 | 0 | 111.8 | T207 L213 R294 E295 Y300 V301 Q302 | T207-L298 HydrophobicContact CG2-CD1 3.91Å; L213-L298 HydrophobicContact CD1-CD1 4.07Å; L213-L298 HydrophobicContact CD2-CB 4.15Å; L213-L298 HydrophobicContact CD2-CD1 4.48Å; R294-L298 WeakPolarHBondContact O-CB 3.49Å; R294-L298 PolarHBondContact O-N 3.47Å; E295-L298 PolarHBondContact O-N 3.42Å; L298-Y300 VanDerWaalsContact C-N 3.34Å; L298-Y300 PolarHBondContact O-N 2.97Å; L298-V301 PolarHBondContact O-N 3.37Å; L298-Q302 WeakPolarHBondContact O-CB 3.49Å; L298-Q302 VanDerWaalsContact O-CG 3.31Å; L298-Q302 WeakPolarHBondContact O-CG 3.32Å; L298-Q302 PolarHBondContact O-N 3.34Å |
| 299 | R | 88.3 | Confident | 86.3 | Confident | 110 Ų | 110 | 59.9 Ų | 59.9 | 42% | 0.415 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 177.3 | -68.8 | -68.3 | 179 | 164.9 | 5.3 | 112.2 | L242 E295 A296 Q302 L303 | L242-R299 HydrophobicContact CD1-CB 4.41Å; L242-R299 HydrophobicContact CD2-CB 3.89Å; E295-R299 HydrophobicContact CG-CG 4.43Å; E295-R299 WeakPolarHBondContact O-CB 3.34Å; E295-R299 WeakPolarHBondContact O-CG 3.4Å; E295-R299 PolarHBondContact O-N 3.49Å; E295-R299 IonicContact OE1-CZ 3.21Å; E295-R299 IonicContact OE1-NE 3.15Å; E295-R299 PolarHBondContact OE1-NE 3.16Å; E295-R299 IonicContact OE1-NH2 2.88Å; E295-R299 PolarHBondContact OE1-NH2 3.05Å; A296-R299 PolarHBondContact O-N 3.01Å; R299-Q302 PolarHBondContact O-N 3.31Å; R299-L303 VanDerWaalsContact O-CB 3.29Å; R299-L303 WeakPolarHBondContact O-CB 3.33Å; R299-L303 PolarHBondContact O-N 2.88Å |
| 300 | Y | 91.2 | Very high | 86.6 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.6 | -50 | 173.8 | -167.8 | -77.2 | 0 | 0 | 0 | 111 | Y217 L220 I224 L239 L242 Q243 A296 K297 L298 L303 C304 | Y217-Y300 AromaticContact CD2-CD1 3.67Å; Y217-Y300 HydrophobicContact CD2-CD1 3.67Å; Y217-Y300 HydrophobicContact CD2-CD2 4.38Å; Y217-Y300 HydrophobicContact CD2-CE1 4.25Å; Y217-Y300 AromaticContact CD2-CG 3.76Å; Y217-Y300 HydrophobicContact CD2-CG 3.76Å; Y217-Y300 AromaticContact CE2-CD1 3.93Å; Y217-Y300 HydrophobicContact CE2-CD1 3.93Å; Y217-Y300 AromaticContact CE2-CD2 3.85Å; Y217-Y300 HydrophobicContact CE2-CD2 3.85Å; Y217-Y300 HydrophobicContact CE2-CE1 4.29Å; Y217-Y300 HydrophobicContact CE2-CE2 4.21Å; Y217-Y300 AromaticContact CE2-CG 3.7Å; Y217-Y300 HydrophobicContact CE2-CG 3.7Å; L220-Y300 HydrophobicContact CB-CE1 4.23Å; I224-Y300 HydrophobicContact CD1-CE1 3.93Å; I224-Y300 VanDerWaalsContact CD1-OH 3.31Å; I224-Y300 WeakPolarHBondContact CD1-OH 3.46Å; L239-Y300 HydrophobicContact CB-CE2 3.86Å; L239-Y300 HydrophobicContact CD2-CD1 4.08Å; L239-Y300 HydrophobicContact CD2-CD2 3.75Å; L239-Y300 HydrophobicContact CD2-CE1 3.97Å; L239-Y300 HydrophobicContact CD2-CE2 3.64Å; L239-Y300 HydrophobicContact CD2-CG 3.96Å; L239-Y300 HydrophobicContact CG-CE2 4.37Å; L239-Y300 VanDerWaalsContact O-CE2 3.32Å; L239-Y300 WeakPolarHBondContact O-CE2 3.43Å; L242-Y300 HydrophobicContact CB-CD2 3.84Å; Q243-Y300 HydrophobicContact CB-CE2 4.17Å; A296-Y300 WeakPolarHBondContact O-CB 3.45Å; A296-Y300 PolarHBondContact O-N 2.87Å; K297-Y300 WeakPolarHBondContact O-CB 3.43Å; K297-Y300 PolarHBondContact O-N 2.74Å; L298-Y300 VanDerWaalsContact C-N 3.34Å; L298-Y300 PolarHBondContact O-N 2.97Å; Y300-L303 PolarHBondContact O-N 2.92Å; Y300-C304 PolarHBondContact O-N 2.91Å; Y300-C304 PolarHBondContact O-SG 2.94Å |
| 301 | V | 87.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 178.2 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | L213 L216 L220 K297 L298 L303 C304 R305 | L213-V301 HydrophobicContact CD1-CB 4.25Å; L213-V301 HydrophobicContact CD1-CG2 3.89Å; L216-V301 HydrophobicContact CD2-CG1 3.4Å; L216-V301 VanDerWaalsContact CD2-CG1 3.4Å; L216-V301 HydrophobicContact CD2-CG2 4.31Å; L216-V301 HydrophobicContact CG-CG1 4.08Å; L216-V301 HydrophobicContact CG-CG2 4.18Å; L220-V301 HydrophobicContact CD1-CB 4.4Å; L220-V301 HydrophobicContact CD1-CG1 4.3Å; L220-V301 HydrophobicContact CD1-CG2 4.11Å; K297-V301 WeakPolarHBondContact O-CG2 3.36Å; K297-V301 PolarHBondContact O-N 2.97Å; L298-V301 PolarHBondContact O-N 3.37Å; V301-L303 VanDerWaalsContact C-N 3.33Å; V301-L303 PolarHBondContact O-N 3.25Å; V301-C304 PolarHBondContact O-N 2.96Å; V301-R305 HydrophobicContact CG1-CG 4.42Å; V301-R305 WeakPolarHBondContact O-CG 3.38Å; V301-R305 PolarHBondContact O-N 2.93Å |
| 302 | Q | 87.6 | Confident | 86.7 | Confident | 86 Ų | 86 | 52 Ų | 52 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 178.1 | -75.9 | 175.4 | -7.9 | 0 | 0 | 111.8 | L298 R299 R305 S306 | L298-Q302 WeakPolarHBondContact O-CB 3.49Å; L298-Q302 VanDerWaalsContact O-CG 3.31Å; L298-Q302 WeakPolarHBondContact O-CG 3.32Å; L298-Q302 PolarHBondContact O-N 3.34Å; R299-Q302 PolarHBondContact O-N 3.31Å; Q302-R305 PolarHBondContact O-N 3.25Å; Q302-S306 WeakPolarHBondContact O-CB 3.49Å; Q302-S306 PolarHBondContact O-N 3.16Å |
| 303 | L | 89.5 | Confident | 86.8 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -48.7 | 176.9 | -177.3 | 59.3 | 0 | 0 | 0 | 110.3 | N238 L239 L242 R299 Y300 V301 R305 S306 L307 | N238-L303 HydrophobicContact CB-CD2 4.12Å; L239-L303 HydrophobicContact CD2-CB 4.39Å; L239-L303 HydrophobicContact CD2-CD2 3.8Å; L239-L303 HydrophobicContact CD2-CG 4.24Å; L239-L303 HydrophobicContact CG-CD2 3.87Å; L242-L303 HydrophobicContact CD1-CD2 4.06Å; R299-L303 VanDerWaalsContact O-CB 3.29Å; R299-L303 WeakPolarHBondContact O-CB 3.33Å; R299-L303 PolarHBondContact O-N 2.88Å; Y300-L303 PolarHBondContact O-N 2.92Å; V301-L303 VanDerWaalsContact C-N 3.33Å; V301-L303 PolarHBondContact O-N 3.25Å; L303-R305 PolarHBondContact O-N 3.33Å; L303-S306 PolarHBondContact O-N 2.65Å; L303-S306 VanDerWaalsContact O-N 3.17Å; L303-S306 PolarHBondContact O-OG 2.84Å; L303-L307 WeakPolarHBondContact O-CG 3.45Å; L303-L307 PolarHBondContact O-N 2.63Å |
| 304 | C | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 177.6 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | L220 I224 Y300 V301 S306 L307 Y310 | L220-C304 HydrophobicContact CD1-CB 3.81Å; L220-C304 HydrophobicContact CD2-CB 4.29Å; L220-C304 HydrophobicContact CG-CB 4.47Å; I224-C304 VanDerWaalsContact CD1-SG 3.59Å; Y300-C304 PolarHBondContact O-N 2.91Å; Y300-C304 PolarHBondContact O-SG 2.94Å; V301-C304 PolarHBondContact O-N 2.96Å; C304-S306 VanDerWaalsContact C-N 3.29Å; C304-S306 PolarHBondContact O-N 3.14Å; C304-L307 WeakPolarHBondContact O-CB 3.41Å; C304-L307 PolarHBondContact O-N 3.01Å; C304-Y310 WeakPolarHBondContact O-CB 3.44Å |
| 305 | R | 84.2 | Confident | 87.1 | Confident | 83 Ų | 83 | 36.4 Ų | 36.4 | 31% | 0.313 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -69.1 | -25.6 | 179.2 | -68.8 | -175.8 | 78.7 | 170.7 | 8.9 | 113.5 | D202 V301 Q302 L303 L307 Y310 | D202-R305 PolarHBondContact O-NH2 2.96Å; V301-R305 HydrophobicContact CG1-CG 4.42Å; V301-R305 WeakPolarHBondContact O-CG 3.38Å; V301-R305 PolarHBondContact O-N 2.93Å; Q302-R305 PolarHBondContact O-N 3.25Å; L303-R305 PolarHBondContact O-N 3.33Å; R305-L307 VanDerWaalsContact C-N 3.27Å; R305-Y310 HydrophobicContact CG-CD2 4.43Å; R305-Y310 HydrophobicContact CG-CE1 4.15Å; R305-Y310 HydrophobicContact CG-CE2 4Å |
| 306 | S | 87.3 | Confident | 87.1 | Confident | 83 Ų | 83 | 33.8 Ų | 33.8 | 58% | 0.58 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -75.9 | -15.7 | 176.4 | 74.3 | 0 | 0 | 0 | 0 | 113.2 | Q302 L303 C304 | Q302-S306 WeakPolarHBondContact O-CB 3.49Å; Q302-S306 PolarHBondContact O-N 3.16Å; L303-S306 PolarHBondContact O-N 2.65Å; L303-S306 VanDerWaalsContact O-N 3.17Å; L303-S306 PolarHBondContact O-OG 2.84Å; C304-S306 VanDerWaalsContact C-N 3.29Å; C304-S306 PolarHBondContact O-N 3.14Å |
| 307 | L | 86.6 | Confident | 87.2 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -73.5 | 136.2 | -179.9 | -60.9 | -178.2 | 0 | 0 | 0 | 110.4 | I231 Q235 L303 C304 R305 T309 Y310 | I231-L307 HydrophobicContact CG2-CD1 3.63Å; Q235-L307 VanDerWaalsContact CD-CD2 3.47Å; Q235-L307 HydrophobicContact CG-CD2 4.09Å; Q235-L307 VanDerWaalsContact NE2-CD2 3.33Å; L303-L307 WeakPolarHBondContact O-CG 3.45Å; L303-L307 PolarHBondContact O-N 2.63Å; C304-L307 WeakPolarHBondContact O-CB 3.41Å; C304-L307 PolarHBondContact O-N 3.01Å; R305-L307 VanDerWaalsContact C-N 3.27Å; L307-T309 PolarHBondContact O-N 2.92Å; L307-T309 VanDerWaalsContact O-N 3.12Å; L307-Y310 WeakPolarHBondContact O-CB 3.35Å; L307-Y310 PolarHBondContact O-N 2.81Å |
| 308 | P | 84.1 | Confident | 87.2 | Confident | 81 Ų | 81 | 33.4 Ų | 33.4 | 53% | 0.526 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.4 | 176.7 | 30 | -36.4 | 0 | 0 | 0 | 112.4 | Y310 I312 I349 | P308-Y310 VanDerWaalsContact C-N 3.29Å; P308-I312 WeakPolarHBondContact O-CD1 3.42Å; P308-I349 HydrophobicContact CB-CD1 3.73Å; P308-I349 HydrophobicContact CG-CD1 3.77Å |
| 309 | T | 84.4 | Confident | 87.2 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4.7 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | H229 P230 L307 F314 | H229-T309 PolarHBondContact CD2-OG1 2.99Å; H229-T309 PolarHBondContact NE2-OG1 3.34Å; P230-T309 PolarHBondContact O-OG1 2.69Å; L307-T309 PolarHBondContact O-N 2.92Å; L307-T309 VanDerWaalsContact O-N 3.12Å; T309-F314 HydrophobicContact CG2-CE2 4.25Å; T309-F314 HydrophobicContact CG2-CZ 3.78Å |
| 310 | Y | 84.8 | Confident | 87.1 | Confident | 49 Ų | 49 | 33.2 Ų | 33.2 | 19% | 0.192 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 134 | 179.1 | -179.5 | -101.5 | 0 | 0 | 0 | 112 | L220 C304 R305 L307 P308 I312 | L220-Y310 HydrophobicContact CD2-CD2 4.33Å; L220-Y310 HydrophobicContact CD2-CE2 3.82Å; C304-Y310 WeakPolarHBondContact O-CB 3.44Å; R305-Y310 HydrophobicContact CG-CD2 4.43Å; R305-Y310 HydrophobicContact CG-CE1 4.15Å; R305-Y310 HydrophobicContact CG-CE2 4Å; L307-Y310 WeakPolarHBondContact O-CB 3.35Å; L307-Y310 PolarHBondContact O-N 2.81Å; P308-Y310 VanDerWaalsContact C-N 3.29Å; Y310-I312 PolarHBondContact O-N 2.8Å |
| 311 | G | 78.2 | Confident | 86.6 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 25% | 0.247 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 17.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 312 | I | 86.8 | Confident | 86.1 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | trans | -112 | 131 | 178.1 | -53.6 | -169.3 | 0 | 0 | 0 | 109.3 | P308 Y310 F314 M340 | P308-I312 WeakPolarHBondContact O-CD1 3.42Å; Y310-I312 PolarHBondContact O-N 2.8Å; I312-F314 HydrophobicContact CB-CD2 4.41Å; I312-F314 HydrophobicContact CB-CE2 3.71Å; I312-F314 HydrophobicContact CB-CZ 3.91Å; I312-F314 HydrophobicContact CG2-CD2 4.24Å; I312-F314 HydrophobicContact CG2-CE1 4.05Å; I312-F314 HydrophobicContact CG2-CE2 3.77Å; I312-F314 HydrophobicContact CG2-CZ 3.66Å; I312-F314 WeakPolarHBondContact O-CD2 3.47Å; I312-M340 HydrophobicContact CD1-SD 3.29Å; I312-M340 WeakPolarHBondContact CD1-SD 3.47Å | ||
| 313 | T | 86.7 | Confident | 85.6 | Confident | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.7 | 172.2 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | G333 V334 L394 | T313-G333 WeakPolarHBondContact O-CA 3.24Å; T313-V334 PolarHBondContact N-O 2.86Å; T313-V334 PolarHBondContact O-N 2.77Å; T313-V334 PolarHBondContact OG1-O 3.4Å; T313-L394 HydrophobicContact CG2-CD2 4.15Å; T313-L394 WeakPolarHBondContact OG1-CD2 3.26Å |
| 314 | F | 89.8 | Confident | 85.1 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.5 | -176.5 | -71.7 | -82.9 | 0 | 0 | 0 | 112.6 | P230 T309 I312 L331 F332 V342 | P230-F314 HydrophobicContact CG-CB 4.33Å; P230-F314 HydrophobicContact CG-CD1 4.11Å; P230-F314 HydrophobicContact CG-CD2 3.23Å; P230-F314 HydrophobicContact CG-CE1 4.24Å; P230-F314 HydrophobicContact CG-CE2 3.37Å; P230-F314 HydrophobicContact CG-CG 3.62Å; P230-F314 HydrophobicContact CG-CZ 3.89Å; T309-F314 HydrophobicContact CG2-CE2 4.25Å; T309-F314 HydrophobicContact CG2-CZ 3.78Å; I312-F314 HydrophobicContact CB-CD2 4.41Å; I312-F314 HydrophobicContact CB-CE2 3.71Å; I312-F314 HydrophobicContact CB-CZ 3.91Å; I312-F314 HydrophobicContact CG2-CD2 4.24Å; I312-F314 HydrophobicContact CG2-CE1 4.05Å; I312-F314 HydrophobicContact CG2-CE2 3.77Å; I312-F314 HydrophobicContact CG2-CZ 3.66Å; I312-F314 WeakPolarHBondContact O-CD2 3.47Å; F314-L331 HydrophobicContact CD1-CB 4.09Å; F314-F332 WeakPolarHBondContact CA-O 3.33Å; F314-V342 HydrophobicContact CE1-CB 4.23Å; F314-V342 HydrophobicContact CE1-CG2 3.73Å |
| 315 | F | 89 | Confident | 84.6 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.5 | 174.7 | -60.1 | -87.3 | 0 | 0 | 0 | 110.1 | I317 L331 F332 V334 E387 Q390 I391 L394 | F315-I317 HydrophobicContact CB-CG2 4.42Å; F315-I317 PolarHBondContact O-N 2.81Å; F315-L331 WeakPolarHBondContact O-CA 3.19Å; F315-F332 HydrophobicContact CD2-CD1 4.5Å; F315-F332 PolarHBondContact N-O 3.24Å; F315-F332 PolarHBondContact O-N 3.41Å; F315-V334 HydrophobicContact CD2-CG2 4.38Å; F315-V334 HydrophobicContact CE2-CG2 4.13Å; F315-E387 HydrophobicContact CD1-CB 4.15Å; F315-E387 WeakPolarHBondContact CD1-OE2 3.39Å; F315-Q390 HydrophobicContact CE1-CB 4.29Å; F315-I391 HydrophobicContact CB-CD1 3.96Å; F315-I391 HydrophobicContact CB-CG1 4.27Å; F315-I391 HydrophobicContact CD1-CD1 4.16Å; F315-I391 HydrophobicContact CD1-CG1 3.66Å; F315-I391 HydrophobicContact CD2-CD1 4.18Å; F315-I391 HydrophobicContact CD2-CG1 3.65Å; F315-I391 HydrophobicContact CE1-CG1 3.81Å; F315-I391 HydrophobicContact CE2-CG1 3.8Å; F315-I391 HydrophobicContact CG-CD1 3.83Å; F315-I391 HydrophobicContact CG-CG1 3.57Å; F315-I391 HydrophobicContact CZ-CG1 3.87Å; F315-L394 HydrophobicContact CE2-CD2 3.99Å; F315-L394 HydrophobicContact CZ-CD2 4.17Å |
| 316 | L | 88.1 | Confident | 84.6 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 116.3 | 173.6 | -179 | 64.7 | 0 | 0 | 0 | 109.7 | M162 L166 T168 P329 L331 | M162-L316 HydrophobicContact CB-CD2 4.2Å; L166-L316 HydrophobicContact CD2-CD1 4.4Å; T168-L316 HydrophobicContact CG2-CB 4.35Å; L316-P329 HydrophobicContact CD1-CB 4.36Å; L316-L331 HydrophobicContact CD1-CD2 4.21Å |
| 317 | I | 90.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 164.1 | -178.8 | 65.9 | 157.7 | 0 | 0 | 0 | 111.2 | F315 P329 R330 F332 Y381 M383 | F315-I317 HydrophobicContact CB-CG2 4.42Å; F315-I317 PolarHBondContact O-N 2.81Å; I317-P329 CarbonylContact O-C 3.53Å; I317-P329 WeakPolarHBondContact O-CA 3.3Å; I317-R330 HydrophobicContact CD1-CB 4.18Å; I317-R330 HydrophobicContact CG1-CB 3.87Å; I317-R330 VanDerWaalsContact CG1-O 3.28Å; I317-R330 WeakPolarHBondContact CG1-O 3.49Å; I317-R330 PolarHBondContact N-O 3.01Å; I317-R330 PolarHBondContact O-N 2.83Å; I317-R330 VanDerWaalsContact O-O 3.14Å; I317-F332 HydrophobicContact CB-CB 4.49Å; I317-F332 HydrophobicContact CD1-CB 3.81Å; I317-F332 HydrophobicContact CD1-CD2 4.42Å; I317-F332 HydrophobicContact CD1-CG 4.41Å; I317-F332 HydrophobicContact CG1-CB 3.94Å; I317-F332 HydrophobicContact CG2-CB 3.71Å; I317-Y381 HydrophobicContact CD1-CE1 4.41Å; I317-Y381 WeakPolarHBondContact CD1-OH 3.16Å; I317-M383 HydrophobicContact CB-CB 4.13Å; I317-M383 HydrophobicContact CB-CG 4.41Å; I317-M383 HydrophobicContact CB-SD 4.41Å; I317-M383 HydrophobicContact CD1-CB 3.64Å; I317-M383 HydrophobicContact CD1-CG 4.26Å; I317-M383 HydrophobicContact CD1-SD 3.86Å; I317-M383 HydrophobicContact CG1-CB 4.46Å; I317-M383 HydrophobicContact CG2-CB 4.49Å; I317-M383 HydrophobicContact CG2-CG 4.23Å; I317-M383 HydrophobicContact CG2-SD 3.82Å |
| 318 | K | 89.4 | Confident | 84.5 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.7 | 166.1 | -76.8 | 174 | 178.8 | 174.6 | 0 | 109.9 | N155 L159 M162 L327 V328 Q384 | N155-K318 PolarHBondContact O-NZ 3.22Å; L159-K318 HydrophobicContact CD1-CD 3.71Å; L159-K318 HydrophobicContact CD1-CG 3.86Å; M162-K318 VanDerWaalsContact CE-CE 3.47Å; K318-L327 HydrophobicContact CB-CB 4.39Å; K318-V328 WeakPolarHBondContact CA-O 3.5Å; K318-Q384 HydrophobicContact CB-CB 4.16Å; K318-Q384 PolarHBondContact N-O 3.15Å; K318-Q384 WeakPolarHBondContact O-CB 3.32Å; K318-Q384 PolarHBondContact O-N 3.02Å |
| 319 | E | 89.1 | Confident | 84.7 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 153.3 | 174.4 | 68.9 | 176.9 | 176.6 | 0 | 0 | 110.9 | L327 V328 R330 R341 Y381 | E319-L327 CarbonylContact O-C 3.59Å; E319-L327 VanDerWaalsContact O-CA 3.3Å; E319-L327 WeakPolarHBondContact O-CA 3.33Å; E319-V328 PolarHBondContact N-O 3.1Å; E319-V328 PolarHBondContact O-N 3.36Å; E319-R330 VanDerWaalsContact CD-CG 3.47Å; E319-R330 HydrophobicContact CG-CG 3.74Å; E319-R330 VanDerWaalsContact OE1-CG 3.23Å; E319-R330 WeakPolarHBondContact OE1-CG 3.48Å; E319-R330 IonicContact OE1-CZ 3.24Å; E319-R330 IonicContact OE1-NE 2.62Å; E319-R330 PolarHBondContact OE1-NE 3.31Å; E319-R341 IonicContact OE1-NH1 2.77Å; E319-R341 WeakPolarHBondContact OE2-CD 3.34Å; E319-R341 IonicContact OE2-CZ 2.8Å; E319-R341 IonicContact OE2-NH1 2.61Å; E319-R341 PolarHBondContact OE2-NH1 3.06Å; E319-Y381 PolarHBondContact OE2-OH 2.64Å |
| 320 | K | 85.7 | Confident | 85 | Confident | 124 Ų | 124 | 57.2 Ų | 57.2 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125 | 171.3 | -173.4 | -178.2 | -178 | -178.8 | 0 | 109.3 | N325 L327 | K320-N325 WeakPolarHBondContact CE-OD1 3.45Å; K320-N325 PolarHBondContact NZ-OD1 3.39Å; K320-L327 HydrophobicContact CB-CD2 4.2Å |
| 321 | L | 81 | Confident | 85.3 | Confident | 56 Ų | 56 | 55.1 Ų | 55.1 | 29% | 0.293 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 134.5 | 176.2 | -69.9 | 176.6 | 0 | 0 | 0 | 111.3 | G323 R324 K326 V328 | L321-G323 PolarHBondContact O-N 3.46Å; L321-R324 HydrophobicContact CB-CB 4.31Å; L321-R324 PolarHBondContact O-N 3.49Å; L321-R324 VanDerWaalsContact O-N 3.12Å; L321-K326 PolarHBondContact N-O 2.76Å; L321-V328 HydrophobicContact CD1-CG2 3.61Å; L321-V328 HydrophobicContact CD2-CG2 4.13Å; L321-V328 HydrophobicContact CG-CG2 3.67Å |
| 322 | K | 77.5 | Confident | 86 | Confident | 169 Ų | 169 | 54 Ų | 54 | 74% | 0.735 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 128.3 | 172.2 | -67.1 | -176.3 | 177.5 | 179.2 | 0 | 109.4 | R324 D378 | K322-R324 VanDerWaalsContact C-N 3.32Å; K322-R324 PolarHBondContact O-N 2.8Å; K322-D378 IonicContact NZ-OD2 3.61Å; K322-D378 PolarHBondContact NZ-OD2 3.43Å |
| 323 | G | 76.3 | Confident | 86.2 | Confident | 90 Ų | 90 | 53 Ų | 53 | 93% | 0.928 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -6.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | L321 | L321-G323 PolarHBondContact O-N 3.46Š|
| 324 | R | 78.8 | Confident | 86.4 | Confident | 181 Ų | 181 | 52.2 Ų | 52.2 | 68% | 0.683 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -129.9 | 137.5 | 178.1 | -65.2 | -173.7 | 177.9 | -173.8 | -0.5 | 111.8 | L321 K322 K326 | L321-R324 HydrophobicContact CB-CB 4.31Å; L321-R324 PolarHBondContact O-N 3.49Å; L321-R324 VanDerWaalsContact O-N 3.12Å; K322-R324 VanDerWaalsContact C-N 3.32Å; K322-R324 PolarHBondContact O-N 2.8Å; R324-K326 PolarHBondContact O-N 3.4Å |
| 325 | N | 79.3 | Confident | 86.4 | Confident | 109 Ų | 109 | 52.2 Ų | 52.2 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -77.5 | 33.4 | 175.5 | -80.8 | -9.6 | 0 | 0 | 0 | 113.6 | K320 R444 | K320-N325 WeakPolarHBondContact CE-OD1 3.45Å; K320-N325 PolarHBondContact NZ-OD1 3.39Å; N325-R444 PolarHBondContact ND2-NH2 3.48Å; N325-R444 PolarHBondContact OD1-NH2 3.31Å |
| 326 | K | 82.2 | Confident | 86.1 | Confident | 140 Ų | 140 | 54 Ų | 54 | 61% | 0.609 | 27% | 0.272 | S | S | * | . | trans | -111.7 | 133.2 | -178.8 | -173.7 | 177.3 | 179.4 | -179.1 | 0 | 110.8 | L321 R324 | L321-K326 PolarHBondContact N-O 2.76Å; R324-K326 PolarHBondContact O-N 3.4Å | ||
| 327 | L | 84.5 | Confident | 85.9 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131 | 173.4 | -65.9 | 169.1 | 0 | 0 | 0 | 110.5 | K318 E319 K320 Q384 | K318-L327 HydrophobicContact CB-CB 4.39Å; E319-L327 CarbonylContact O-C 3.59Å; E319-L327 VanDerWaalsContact O-CA 3.3Å; E319-L327 WeakPolarHBondContact O-CA 3.33Å; K320-L327 HydrophobicContact CB-CD2 4.2Å; L327-Q384 VanDerWaalsContact CD1-OE1 3.26Å |
| 328 | V | 87.6 | Confident | 85.9 | Confident | 26 Ų | 26 | 60.6 Ų | 60.6 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.6 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | K318 E319 L321 | K318-V328 WeakPolarHBondContact CA-O 3.5Å; E319-V328 PolarHBondContact N-O 3.1Å; E319-V328 PolarHBondContact O-N 3.36Å; L321-V328 HydrophobicContact CD1-CG2 3.61Å; L321-V328 HydrophobicContact CD2-CG2 4.13Å; L321-V328 HydrophobicContact CG-CG2 3.67Å |
| 329 | P | 89.9 | Confident | 86 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.7 | 173.7 | 28.2 | -34.8 | 0 | 0 | 0 | 111 | L316 I317 E344 | L316-P329 HydrophobicContact CD1-CB 4.36Å; I317-P329 CarbonylContact O-C 3.53Å; I317-P329 WeakPolarHBondContact O-CA 3.3Å; P329-E344 WeakPolarHBondContact CB-OE2 3.5Å; P329-E344 WeakPolarHBondContact CG-OE2 3.45Å |
| 330 | R | 90.1 | Very high | 86.1 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 157.7 | 175.3 | -67 | -66.3 | 175.7 | -160.6 | -14.8 | 109.7 | I317 E319 D343 | I317-R330 HydrophobicContact CD1-CB 4.18Å; I317-R330 HydrophobicContact CG1-CB 3.87Å; I317-R330 VanDerWaalsContact CG1-O 3.28Å; I317-R330 WeakPolarHBondContact CG1-O 3.49Å; I317-R330 PolarHBondContact N-O 3.01Å; I317-R330 PolarHBondContact O-N 2.83Å; I317-R330 VanDerWaalsContact O-O 3.14Å; E319-R330 VanDerWaalsContact CD-CG 3.47Å; E319-R330 HydrophobicContact CG-CG 3.74Å; E319-R330 VanDerWaalsContact OE1-CG 3.23Å; E319-R330 WeakPolarHBondContact OE1-CG 3.48Å; E319-R330 IonicContact OE1-CZ 3.24Å; E319-R330 IonicContact OE1-NE 2.62Å; E319-R330 PolarHBondContact OE1-NE 3.31Å; R330-D343 IonicContact CZ-OD1 2.85Å; R330-D343 IonicContact NH1-OD1 3.6Å; R330-D343 PolarHBondContact NH1-OD1 3.05Å |
| 331 | L | 91.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.7 | 168.9 | -67.1 | 173.9 | 0 | 0 | 0 | 108.6 | L166 P230 F314 F315 L316 V342 K347 | L166-L331 HydrophobicContact CD2-CD2 4.06Å; P230-L331 HydrophobicContact CB-CD1 4.17Å; P230-L331 HydrophobicContact CG-CD1 4.45Å; F314-L331 HydrophobicContact CD1-CB 4.09Å; F315-L331 WeakPolarHBondContact O-CA 3.19Å; L316-L331 HydrophobicContact CD1-CD2 4.21Å; L331-V342 HydrophobicContact CB-CB 3.95Å; L331-V342 HydrophobicContact CB-CG1 4.34Å; L331-V342 HydrophobicContact CD1-CG1 4.41Å; L331-V342 PolarHBondContact N-O 2.91Å; L331-V342 PolarHBondContact O-N 3.38Å; L331-K347 HydrophobicContact CD1-CD 3.64Å |
| 332 | F | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 110.3 | 176.1 | -176 | -104.6 | 0 | 0 | 0 | 108.8 | F314 F315 I317 V334 V339 M340 W353 L370 Y381 M383 I391 | F314-F332 WeakPolarHBondContact CA-O 3.33Å; F315-F332 HydrophobicContact CD2-CD1 4.5Å; F315-F332 PolarHBondContact N-O 3.24Å; F315-F332 PolarHBondContact O-N 3.41Å; I317-F332 HydrophobicContact CB-CB 4.49Å; I317-F332 HydrophobicContact CD1-CB 3.81Å; I317-F332 HydrophobicContact CD1-CD2 4.42Å; I317-F332 HydrophobicContact CD1-CG 4.41Å; I317-F332 HydrophobicContact CG1-CB 3.94Å; I317-F332 HydrophobicContact CG2-CB 3.71Å; F332-V334 HydrophobicContact CD1-CG2 4.02Å; F332-V334 HydrophobicContact CE1-CG2 3.53Å; F332-V334 HydrophobicContact CZ-CG2 4.37Å; F332-V339 HydrophobicContact CE2-CB 4.06Å; F332-V339 HydrophobicContact CE2-CG2 4.44Å; F332-V339 HydrophobicContact CZ-CB 3.68Å; F332-V339 HydrophobicContact CZ-CG1 3.93Å; F332-V339 HydrophobicContact CZ-CG2 4.24Å; F332-M340 CarbonylContact C-O 3.48Å; F332-M340 WeakPolarHBondContact CA-O 3.45Å; F332-W353 HydrophobicContact CE2-CZ3 4.41Å; F332-L370 HydrophobicContact CE2-CD1 3.91Å; F332-L370 HydrophobicContact CZ-CD1 3.67Å; F332-Y381 HydrophobicContact CD2-CE1 4.22Å; F332-Y381 HydrophobicContact CE2-CE1 4.25Å; F332-M383 HydrophobicContact CB-SD 4.4Å; F332-M383 HydrophobicContact CD1-SD 4.07Å; F332-M383 HydrophobicContact CD2-CE 3.94Å; F332-M383 HydrophobicContact CD2-SD 4.05Å; F332-M383 HydrophobicContact CE1-CE 4.48Å; F332-M383 HydrophobicContact CE1-SD 4.41Å; F332-M383 HydrophobicContact CE2-CE 3.8Å; F332-M383 HydrophobicContact CE2-SD 4.39Å; F332-M383 HydrophobicContact CG-CE 4.36Å; F332-M383 HydrophobicContact CG-SD 3.89Å; F332-M383 HydrophobicContact CZ-CE 4.11Å; F332-I391 HydrophobicContact CD1-CD1 4.36Å; F332-I391 HydrophobicContact CD1-CG2 4.24Å; F332-I391 HydrophobicContact CE1-CG2 3.78Å |
| 333 | G | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T313 V339 M340 | T313-G333 WeakPolarHBondContact O-CA 3.24Å; G333-V339 CarbonylContact O-C 3.57Å; G333-V339 VanDerWaalsContact O-CA 3.28Å; G333-V339 WeakPolarHBondContact O-CA 3.25Å; G333-M340 PolarHBondContact N-O 3.4Å; G333-M340 PolarHBondContact O-N 3.27Å |
| 334 | V | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.6 | 171.1 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | T313 F315 F332 V339 I391 L394 I395 Y398 | T313-V334 PolarHBondContact N-O 2.86Å; T313-V334 PolarHBondContact O-N 2.77Å; T313-V334 PolarHBondContact OG1-O 3.4Å; F315-V334 HydrophobicContact CD2-CG2 4.38Å; F315-V334 HydrophobicContact CE2-CG2 4.13Å; F332-V334 HydrophobicContact CD1-CG2 4.02Å; F332-V334 HydrophobicContact CE1-CG2 3.53Å; F332-V334 HydrophobicContact CZ-CG2 4.37Å; V334-V339 HydrophobicContact CG1-CG1 4.26Å; V334-V339 HydrophobicContact CG2-CG1 4.22Å; V334-I391 HydrophobicContact CG2-CG2 4.29Å; V334-L394 HydrophobicContact CB-CD2 3.73Å; V334-L394 HydrophobicContact CG1-CD2 3.82Å; V334-L394 HydrophobicContact CG1-CG 4.24Å; V334-L394 HydrophobicContact CG2-CD2 4.36Å; V334-I395 HydrophobicContact CG1-CG1 3.76Å; V334-I395 HydrophobicContact CG2-CG1 4.29Å; V334-Y398 HydrophobicContact CG1-CD2 3.92Å; V334-Y398 HydrophobicContact CG1-CE2 4Å |
| 335 | S | 88.3 | Confident | 88.1 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | trans | -113.6 | 179.4 | 174.2 | 91.3 | 0 | 0 | 0 | 0 | 110.7 | E337 S338 L355 Y398 | S335-E337 VanDerWaalsContact C-N 3.26Å; S335-E337 PolarHBondContact O-N 3.35Å; S335-E337 PolarHBondContact OG-N 3.39Å; S335-E337 VanDerWaalsContact OG-N 3.15Å; S335-S338 WeakPolarHBondContact CB-O 3.46Å; S335-S338 PolarHBondContact N-O 2.63Å; S335-S338 PolarHBondContact OG-N 3.49Å; S335-S338 PolarHBondContact OG-O 2.98Å; S335-S338 PolarHBondContact OG-OG 3.39Å; S335-L355 VanDerWaalsContact O-CD1 3.27Å; S335-L355 WeakPolarHBondContact O-CD1 3.47Å; S335-Y398 WeakPolarHBondContact O-CD2 3.42Å | ||
| 336 | K | 83.6 | Confident | 88.4 | Confident | 53 Ų | 53 | 41.8 Ų | 41.8 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -69.7 | -17.7 | 174.1 | 62.3 | 171.3 | -177.1 | 174.6 | 0 | 114.5 | Y200 Y398 I402 | Y200-K336 HydrophobicContact CD2-CB 4.09Å; Y200-K336 HydrophobicContact CD2-CD 4.21Å; Y200-K336 HydrophobicContact CE2-CB 4.48Å; Y200-K336 HydrophobicContact CG-CD 4.43Å; Y200-K336 PolarHBondContact O-NZ 3.37Å; Y200-K336 VanDerWaalsContact O-NZ 3.1Å; K336-Y398 HydrophobicContact CB-CD1 3.89Å; K336-Y398 HydrophobicContact CB-CE1 3.95Å; K336-I402 WeakPolarHBondContact O-CD1 3.43Å |
| 337 | E | 84.8 | Confident | 88.5 | Confident | 128 Ų | 128 | 36 Ų | 36 | 60% | 0.598 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -120.7 | -30.1 | -173.1 | -80.4 | 163.8 | -146.9 | 0 | 0 | 112.6 | S335 S354 L355 | S335-E337 VanDerWaalsContact C-N 3.26Å; S335-E337 PolarHBondContact O-N 3.35Å; S335-E337 PolarHBondContact OG-N 3.39Å; S335-E337 VanDerWaalsContact OG-N 3.15Å; E337-S354 WeakPolarHBondContact O-CA 3.29Å; E337-S354 PolarHBondContact O-OG 3.46Å; E337-L355 PolarHBondContact O-N 3.31Å |
| 338 | S | 90 | Very high | 88.7 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 12% | 0.119 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 155.1 | -176.6 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | S335 W353 L355 | S335-S338 WeakPolarHBondContact CB-O 3.46Å; S335-S338 PolarHBondContact N-O 2.63Å; S335-S338 PolarHBondContact OG-N 3.49Å; S335-S338 PolarHBondContact OG-O 2.98Å; S335-S338 PolarHBondContact OG-OG 3.39Å; S338-W353 CarbonylContact C-O 3.58Å; S338-W353 WeakPolarHBondContact CA-O 3.23Å; S338-W353 VanDerWaalsContact CB-O 3.25Å; S338-W353 WeakPolarHBondContact CB-O 3.28Å; S338-L355 VanDerWaalsContact N-CD1 3.29Å |
| 339 | V | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 140.9 | 159.9 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | F332 G333 V334 W353 I358 L370 I395 | F332-V339 HydrophobicContact CE2-CB 4.06Å; F332-V339 HydrophobicContact CE2-CG2 4.44Å; F332-V339 HydrophobicContact CZ-CB 3.68Å; F332-V339 HydrophobicContact CZ-CG1 3.93Å; F332-V339 HydrophobicContact CZ-CG2 4.24Å; G333-V339 CarbonylContact O-C 3.57Å; G333-V339 VanDerWaalsContact O-CA 3.28Å; G333-V339 WeakPolarHBondContact O-CA 3.25Å; V334-V339 HydrophobicContact CG1-CG1 4.26Å; V334-V339 HydrophobicContact CG2-CG1 4.22Å; V339-W353 HydrophobicContact CG2-CB 3.84Å; V339-W353 HydrophobicContact CG2-CE3 3.94Å; V339-W353 PolarHBondContact N-O 3.27Å; V339-W353 PolarHBondContact O-N 3.48Å; V339-I358 HydrophobicContact CG1-CD1 4.04Å; V339-I358 HydrophobicContact CG2-CD1 3.73Å; V339-L370 HydrophobicContact CG2-CD1 4.2Å; V339-I395 HydrophobicContact CG1-CD1 4.24Å |
| 340 | M | 90.8 | Very high | 88.8 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.7 | -171.2 | -59 | 179.9 | 109.1 | 0 | 0 | 111.1 | I312 F332 G333 V342 I349 E351 T352 | I312-M340 HydrophobicContact CD1-SD 3.29Å; I312-M340 WeakPolarHBondContact CD1-SD 3.47Å; F332-M340 CarbonylContact C-O 3.48Å; F332-M340 WeakPolarHBondContact CA-O 3.45Å; G333-M340 PolarHBondContact N-O 3.4Å; G333-M340 PolarHBondContact O-N 3.27Å; M340-V342 HydrophobicContact CB-CG2 4.38Å; M340-I349 HydrophobicContact CE-CD1 3.54Å; M340-I349 HydrophobicContact CE-CG1 4.04Å; M340-I349 HydrophobicContact CE-CG2 3.83Å; M340-I349 HydrophobicContact SD-CD1 4.4Å; M340-E351 CarbonylContact C-O 3.55Å; M340-E351 WeakPolarHBondContact CA-O 3.22Å; M340-T352 HydrophobicContact CE-CG2 3.93Å; M340-T352 WeakPolarHBondContact CE-OG1 3.43Å; M340-T352 HydrophobicContact CG-CG2 3.97Å |
| 341 | R | 91 | Very high | 88.7 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 18% | 0.177 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122 | 169.4 | -176 | 173.4 | 60.7 | 162.6 | -6.3 | 108.8 | E319 I350 E351 W353 Y381 | E319-R341 IonicContact OE1-NH1 2.77Å; E319-R341 WeakPolarHBondContact OE2-CD 3.34Å; E319-R341 IonicContact OE2-CZ 2.8Å; E319-R341 IonicContact OE2-NH1 2.61Å; E319-R341 PolarHBondContact OE2-NH1 3.06Å; R341-I350 HydrophobicContact CG-CB 4.37Å; R341-I350 HydrophobicContact CG-CD1 4.27Å; R341-I350 WeakPolarHBondContact O-CB 3.49Å; R341-I350 PolarHBondContact O-N 3.25Å; R341-E351 HydrophobicContact CB-CB 4.19Å; R341-E351 IonicContact CZ-OE2 3.34Å; R341-E351 PolarHBondContact N-O 3.4Å; R341-E351 IonicContact NE-OE2 2.96Å; R341-E351 IonicContact NH2-OE2 3.93Å; R341-E351 PolarHBondContact NH2-OE2 3.02Å; R341-E351 PolarHBondContact O-N 3.49Å; R341-W353 HydrophobicContact CB-CH2 3.87Å; R341-W353 HydrophobicContact CB-CZ3 3.78Å; R341-Y381 VanDerWaalsContact CD-OH 3.3Å; R341-Y381 WeakPolarHBondContact CD-OH 3.26Å |
| 342 | V | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.1 | -175 | 177.6 | 0 | 0 | 0 | 0 | 110 | F314 L331 M340 E348 I349 | F314-V342 HydrophobicContact CE1-CB 4.23Å; F314-V342 HydrophobicContact CE1-CG2 3.73Å; L331-V342 HydrophobicContact CB-CB 3.95Å; L331-V342 HydrophobicContact CB-CG1 4.34Å; L331-V342 HydrophobicContact CD1-CG1 4.41Å; L331-V342 PolarHBondContact N-O 2.91Å; L331-V342 PolarHBondContact O-N 3.38Å; M340-V342 HydrophobicContact CB-CG2 4.38Å; V342-E348 CarbonylContact C-O 3.39Å; V342-E348 WeakPolarHBondContact CA-O 3.22Å; V342-E348 WeakPolarHBondContact CG1-O 3.44Å; V342-I349 HydrophobicContact CG2-CB 4.47Å; V342-I349 HydrophobicContact CG2-CG1 3.84Å |
| 343 | D | 90 | Very high | 88.5 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 16% | 0.16 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.7 | 174.3 | -177.9 | 35.3 | 0 | 0 | 0 | 111.8 | R330 K345 T346 K347 E348 I350 | R330-D343 IonicContact CZ-OD1 2.85Å; R330-D343 IonicContact NH1-OD1 3.6Å; R330-D343 PolarHBondContact NH1-OD1 3.05Å; D343-K345 VanDerWaalsContact C-N 3.32Å; D343-K345 PolarHBondContact O-N 2.84Å; D343-T346 VanDerWaalsContact CB-OG1 3.28Å; D343-T346 WeakPolarHBondContact CB-OG1 3.21Å; D343-T346 WeakPolarHBondContact OD2-CB 3.46Å; D343-T346 WeakPolarHBondContact OD2-CG2 3.47Å; D343-T346 PolarHBondContact OD2-N 3.18Å; D343-T346 PolarHBondContact OD2-OG1 3.21Å; D343-K347 VanDerWaalsContact O-CA 3.25Å; D343-K347 WeakPolarHBondContact O-CA 3.42Å; D343-K347 PolarHBondContact O-N 2.69Å; D343-K347 VanDerWaalsContact O-N 3.15Å; D343-E348 PolarHBondContact N-O 3.18Å; D343-I350 HydrophobicContact CB-CD1 4.24Å; D343-I350 HydrophobicContact CB-CG1 4.49Å |
| 344 | E | 85.9 | Confident | 88.3 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 16% | 0.164 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -36.8 | -179.7 | -173.8 | -156.3 | -173.1 | 0 | 0 | 111.7 | L166 P329 K347 | L166-E344 HydrophobicContact CD2-CG 4.22Å; P329-E344 WeakPolarHBondContact CB-OE2 3.5Å; P329-E344 WeakPolarHBondContact CG-OE2 3.45Å; E344-K347 WeakPolarHBondContact O-CD 3.49Å; E344-K347 WeakPolarHBondContact O-CE 3.26Å; E344-K347 PolarHBondContact O-NZ 3.39Å |
| 345 | K | 83.7 | Confident | 88.1 | Confident | 166 Ų | 166 | 51.4 Ų | 51.4 | 72% | 0.722 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -53.5 | -171.9 | -67.3 | -172.3 | 178.3 | -175.1 | 0 | 113.3 | D343 K347 | D343-K345 VanDerWaalsContact C-N 3.32Å; D343-K345 PolarHBondContact O-N 2.84Å; K345-K347 VanDerWaalsContact C-N 3.33Å |
| 346 | T | 85 | Confident | 87.8 | Confident | 65 Ų | 65 | 55 Ų | 55 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -20.1 | -177.2 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | D343 E348 | D343-T346 VanDerWaalsContact CB-OG1 3.28Å; D343-T346 WeakPolarHBondContact CB-OG1 3.21Å; D343-T346 WeakPolarHBondContact OD2-CB 3.46Å; D343-T346 WeakPolarHBondContact OD2-CG2 3.47Å; D343-T346 PolarHBondContact OD2-N 3.18Å; D343-T346 PolarHBondContact OD2-OG1 3.21Å; T346-E348 PolarHBondContact O-N 3.22Å; T346-E348 PolarHBondContact OG1-N 3.29Å |
| 347 | K | 85.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | trans | 59.6 | 22.6 | -171.3 | -53.6 | -58.9 | -158.4 | -71.2 | 0 | 113.1 | P230 E270 L331 D343 E344 K345 | P230-K347 HydrophobicContact CB-CD 3.9Å; E270-K347 VanDerWaalsContact CD-NZ 3.26Å; E270-K347 IonicContact OE1-NZ 3.43Å; E270-K347 PolarHBondContact OE1-NZ 2.84Å; E270-K347 IonicContact OE2-NZ 3.24Å; E270-K347 PolarHBondContact OE2-NZ 3.45Å; L331-K347 HydrophobicContact CD1-CD 3.64Å; D343-K347 VanDerWaalsContact O-CA 3.25Å; D343-K347 WeakPolarHBondContact O-CA 3.42Å; D343-K347 PolarHBondContact O-N 2.69Å; D343-K347 VanDerWaalsContact O-N 3.15Å; E344-K347 WeakPolarHBondContact O-CD 3.49Å; E344-K347 WeakPolarHBondContact O-CE 3.26Å; E344-K347 PolarHBondContact O-NZ 3.39Å; K345-K347 VanDerWaalsContact C-N 3.33Å | ||
| 348 | E | 88.1 | Confident | 87.8 | Confident | 137 Ų | 137 | 52.9 Ų | 52.9 | 64% | 0.64 | 26% | 0.262 | S | S | * | . | trans | -81.9 | 144.7 | 173.5 | -68.7 | -178.3 | 172.7 | 0 | 0 | 111.6 | V342 D343 T346 I350 | V342-E348 CarbonylContact C-O 3.39Å; V342-E348 WeakPolarHBondContact CA-O 3.22Å; V342-E348 WeakPolarHBondContact CG1-O 3.44Å; D343-E348 PolarHBondContact N-O 3.18Å; T346-E348 PolarHBondContact O-N 3.22Å; T346-E348 PolarHBondContact OG1-N 3.29Å; E348-I350 PolarHBondContact O-N 2.57Å | ||
| 349 | I | 89.4 | Confident | 87.5 | Confident | 61 Ų | 61 | 59 Ų | 59 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.3 | 176.4 | -64.1 | 153.7 | 0 | 0 | 0 | 108.7 | P308 M340 V342 T352 | P308-I349 HydrophobicContact CB-CD1 3.73Å; P308-I349 HydrophobicContact CG-CD1 3.77Å; M340-I349 HydrophobicContact CE-CD1 3.54Å; M340-I349 HydrophobicContact CE-CG1 4.04Å; M340-I349 HydrophobicContact CE-CG2 3.83Å; M340-I349 HydrophobicContact SD-CD1 4.4Å; V342-I349 HydrophobicContact CG2-CB 4.47Å; V342-I349 HydrophobicContact CG2-CG1 3.84Å; I349-T352 WeakPolarHBondContact CG2-OG1 3.32Å |
| 350 | I | 89.8 | Confident | 87.3 | Confident | 74 Ų | 74 | 65 Ų | 65 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -43.7 | 179.5 | -53.5 | 175.7 | 0 | 0 | 0 | 110.3 | R341 D343 E348 | R341-I350 HydrophobicContact CG-CB 4.37Å; R341-I350 HydrophobicContact CG-CD1 4.27Å; R341-I350 WeakPolarHBondContact O-CB 3.49Å; R341-I350 PolarHBondContact O-N 3.25Å; D343-I350 HydrophobicContact CB-CD1 4.24Å; D343-I350 HydrophobicContact CB-CG1 4.49Å; E348-I350 PolarHBondContact O-N 2.57Å |
| 351 | E | 87.9 | Confident | 87.3 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.9 | -174.1 | -156.5 | 167.3 | 172 | 0 | 0 | 110.6 | M340 R341 W353 | M340-E351 CarbonylContact C-O 3.55Å; M340-E351 WeakPolarHBondContact CA-O 3.22Å; R341-E351 HydrophobicContact CB-CB 4.19Å; R341-E351 IonicContact CZ-OE2 3.34Å; R341-E351 PolarHBondContact N-O 3.4Å; R341-E351 IonicContact NE-OE2 2.96Å; R341-E351 IonicContact NH2-OE2 3.93Å; R341-E351 PolarHBondContact NH2-OE2 3.02Å; R341-E351 PolarHBondContact O-N 3.49Å; E351-W353 HydrophobicContact CB-CH2 4.13Å; E351-W353 HydrophobicContact CB-CZ2 4Å; E351-W353 HydrophobicContact CG-CD2 4.28Å; E351-W353 HydrophobicContact CG-CH2 4.3Å; E351-W353 HydrophobicContact CG-CZ2 3.67Å; E351-W353 WeakPolarHBondContact OE1-CZ2 3.47Å; E351-W353 PolarHBondContact OE1-NE1 3.27Å; E351-W353 WeakPolarHBondContact OE2-CZ2 2.87Å |
| 352 | T | 90.5 | Very high | 87.1 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 123 | -180 | -61.9 | 0 | 0 | 0 | 0 | 108.5 | M340 I349 | M340-T352 HydrophobicContact CE-CG2 3.93Å; M340-T352 WeakPolarHBondContact CE-OG1 3.43Å; M340-T352 HydrophobicContact CG-CG2 3.97Å; I349-T352 WeakPolarHBondContact CG2-OG1 3.32Å |
| 353 | W | 89.1 | Confident | 87 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.5 | 178.4 | -53.8 | -80.9 | 0 | 0 | 0 | 109 | F332 S338 V339 R341 E351 F372 Y381 | F332-W353 HydrophobicContact CE2-CZ3 4.41Å; S338-W353 CarbonylContact C-O 3.58Å; S338-W353 WeakPolarHBondContact CA-O 3.23Å; S338-W353 VanDerWaalsContact CB-O 3.25Å; S338-W353 WeakPolarHBondContact CB-O 3.28Å; V339-W353 HydrophobicContact CG2-CB 3.84Å; V339-W353 HydrophobicContact CG2-CE3 3.94Å; V339-W353 PolarHBondContact N-O 3.27Å; V339-W353 PolarHBondContact O-N 3.48Å; R341-W353 HydrophobicContact CB-CH2 3.87Å; R341-W353 HydrophobicContact CB-CZ3 3.78Å; E351-W353 HydrophobicContact CB-CH2 4.13Å; E351-W353 HydrophobicContact CB-CZ2 4Å; E351-W353 HydrophobicContact CG-CD2 4.28Å; E351-W353 HydrophobicContact CG-CH2 4.3Å; E351-W353 HydrophobicContact CG-CZ2 3.67Å; E351-W353 WeakPolarHBondContact OE1-CZ2 3.47Å; E351-W353 PolarHBondContact OE1-NE1 3.27Å; E351-W353 WeakPolarHBondContact OE2-CZ2 2.87Å; W353-F372 HydrophobicContact CB-CE1 3.77Å; W353-F372 HydrophobicContact CB-CZ 4.18Å; W353-F372 AromaticContact CD1-CE1 3.85Å; W353-F372 AromaticContact CD1-CZ 3.76Å; W353-F372 HydrophobicContact CD2-CE1 4.28Å; W353-F372 AromaticContact CD2-CZ 3.76Å; W353-F372 HydrophobicContact CD2-CZ 3.76Å; W353-F372 AromaticContact CE2-CZ 3.85Å; W353-F372 HydrophobicContact CE3-CZ 4.45Å; W353-F372 AromaticContact CG-CE1 3.7Å; W353-F372 HydrophobicContact CG-CE1 3.7Å; W353-F372 AromaticContact CG-CZ 3.65Å; W353-F372 HydrophobicContact CG-CZ 3.65Å; W353-F372 AromaticContact NE1-CZ 3.91Å; W353-Y381 HydrophobicContact CH2-CD1 4.03Å; W353-Y381 HydrophobicContact CH2-CD2 4.26Å; W353-Y381 AromaticContact CH2-CE1 3.94Å; W353-Y381 HydrophobicContact CH2-CE1 3.94Å; W353-Y381 HydrophobicContact CH2-CE2 4.2Å; W353-Y381 HydrophobicContact CH2-CG 4.2Å; W353-Y381 HydrophobicContact CZ3-CD1 4.37Å; W353-Y381 HydrophobicContact CZ3-CE1 4.19Å |
| 354 | S | 88 | Confident | 86.6 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 141.8 | 173.4 | -179 | 0 | 0 | 0 | 0 | 110.4 | E337 T356 R357 | E337-S354 WeakPolarHBondContact O-CA 3.29Å; E337-S354 PolarHBondContact O-OG 3.46Å; S354-T356 WeakPolarHBondContact CB-OG1 2.98Å; S354-T356 PolarHBondContact O-N 3.04Å; S354-T356 VanDerWaalsContact O-N 3.11Å; S354-T356 PolarHBondContact OG-N 2.96Å; S354-T356 PolarHBondContact OG-OG1 2.98Å; S354-R357 PolarHBondContact O-N 3.15Å |
| 355 | L | 85.2 | Confident | 86.2 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -55.9 | -28.1 | 174.9 | -91.7 | 103.6 | 0 | 0 | 0 | 112.4 | S335 E337 S338 R357 I358 I395 V399 | S335-L355 VanDerWaalsContact O-CD1 3.27Å; S335-L355 WeakPolarHBondContact O-CD1 3.47Å; E337-L355 PolarHBondContact O-N 3.31Å; S338-L355 VanDerWaalsContact N-CD1 3.29Å; L355-R357 VanDerWaalsContact C-N 3.25Å; L355-R357 PolarHBondContact O-N 3.49Å; L355-I358 PolarHBondContact O-N 2.79Å; L355-I395 HydrophobicContact CD2-CG2 4.14Å; L355-V399 HydrophobicContact CD2-CG2 3.63Å |
| 356 | T | 82.2 | Confident | 86.2 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -66 | -23.2 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | S354 | S354-T356 WeakPolarHBondContact CB-OG1 2.98Å; S354-T356 PolarHBondContact O-N 3.04Å; S354-T356 VanDerWaalsContact O-N 3.11Å; S354-T356 PolarHBondContact OG-N 2.96Å; S354-T356 PolarHBondContact OG-OG1 2.98Å |
| 357 | R | 83.2 | Confident | 86.3 | Confident | 130 Ų | 130 | 70.3 Ų | 70.3 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -86.4 | -11 | 178.3 | -66.3 | -175.6 | -179.7 | -176.9 | -0.9 | 113.2 | S354 L355 R359 Y375 | S354-R357 PolarHBondContact O-N 3.15Å; L355-R357 VanDerWaalsContact C-N 3.25Å; L355-R357 PolarHBondContact O-N 3.49Å; R357-R359 PolarHBondContact O-N 3.33Å; R357-Y375 HydrophobicContact CB-CD2 4.26Å; R357-Y375 HydrophobicContact CB-CG 4.23Å; R357-Y375 HydrophobicContact CG-CD1 4.35Å; R357-Y375 HydrophobicContact CG-CG 4.28Å; R357-Y375 WeakPolarHBondContact O-CD2 3.45Å |
| 358 | I | 85.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | trans | -83.1 | 115.6 | 179.6 | -57.9 | 170.7 | 0 | 0 | 0 | 107.8 | V339 L355 W361 L370 F372 | V339-I358 HydrophobicContact CG1-CD1 4.04Å; V339-I358 HydrophobicContact CG2-CD1 3.73Å; L355-I358 PolarHBondContact O-N 2.79Å; I358-W361 HydrophobicContact CG2-CE3 3.9Å; I358-W361 HydrophobicContact CG2-CZ3 4.49Å; I358-L370 HydrophobicContact CD1-CD2 4.36Å; I358-L370 HydrophobicContact CG2-CD2 4.15Å; I358-F372 HydrophobicContact CG1-CD1 4.2Å; I358-F372 HydrophobicContact CG1-CE1 3.89Å | ||
| 359 | R | 83.4 | Confident | 86.8 | Confident | 145 Ų | 145 | 64.3 Ų | 64.3 | 55% | 0.547 | 34% | 0.342 | S | S | . | . | trans | -77.9 | -43.2 | 177.3 | -174.2 | 179.7 | -179.2 | -177.8 | 3.7 | 111.4 | R357 D371 | R357-R359 PolarHBondContact O-N 3.33Å; R359-D371 PolarHBondContact N-O 3.04Å | ||
| 360 | R | 87.7 | Confident | 86.8 | Confident | 127 Ų | 127 | 61.4 Ų | 61.4 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 159.2 | 177.6 | 57.6 | -172.1 | 142.5 | -149 | -6.6 | 111.7 | D371 | R360-D371 HydrophobicContact CG-CB 3.64Å; R360-D371 IonicContact CZ-OD2 2.73Å; R360-D371 PolarHBondContact N-O 3.15Å; R360-D371 IonicContact NE-OD2 2.92Å; R360-D371 PolarHBondContact NE-OD2 2.89Å; R360-D371 IonicContact NH2-OD2 3.09Å; R360-D371 PolarHBondContact NH2-OD2 3.09Å; R360-D371 PolarHBondContact O-N 3Å |
| 361 | W | 90.4 | Very high | 86.8 | Confident | 63 Ų | 63 | 59 Ų | 59 | 24% | 0.239 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.5 | 172.5 | 55.5 | 90.3 | 0 | 0 | 0 | 110.4 | I358 F368 T369 L370 I395 S396 V399 | I358-W361 HydrophobicContact CG2-CE3 3.9Å; I358-W361 HydrophobicContact CG2-CZ3 4.49Å; W361-F368 HydrophobicContact CB-CE2 4.17Å; W361-F368 HydrophobicContact CB-CZ 3.73Å; W361-F368 HydrophobicContact CG-CZ 4.28Å; W361-T369 CarbonylContact C-O 3.59Å; W361-T369 VanDerWaalsContact CA-O 3.32Å; W361-T369 WeakPolarHBondContact CA-O 3.28Å; W361-L370 HydrophobicContact CB-CD2 3.78Å; W361-I395 HydrophobicContact CD2-CG2 3.87Å; W361-I395 HydrophobicContact CE3-CG2 3.73Å; W361-I395 HydrophobicContact CH2-CG2 3.88Å; W361-I395 HydrophobicContact CZ2-CG2 4.02Å; W361-I395 HydrophobicContact CZ3-CG2 3.73Å; W361-S396 VanDerWaalsContact CZ2-OG 3.32Å; W361-S396 WeakPolarHBondContact CZ2-OG 3.03Å; W361-S396 PolarHBondContact NE1-OG 3.44Å; W361-V399 HydrophobicContact CH2-CG2 4.13Å; W361-V399 HydrophobicContact CZ3-CG2 4.46Å |
| 362 | A | 88.6 | Confident | 86.6 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | F368 T369 | A362-F368 WeakPolarHBondContact O-CA 3.37Å; A362-F368 WeakPolarHBondContact O-CD2 3.34Å; A362-T369 PolarHBondContact N-O 3.36Å; A362-T369 PolarHBondContact O-N 2.79Å |
| 363 | A | 86.9 | Confident | 86.1 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F368 G388 A392 | A363-F368 HydrophobicContact CB-CD2 3.98Å; A363-F368 HydrophobicContact CB-CE2 4.33Å; A363-G388 VanDerWaalsContact CB-C 3.45Å; A363-G388 WeakPolarHBondContact CB-O 3.4Å; A363-A392 HydrophobicContact CB-CB 4.09Å |
| 364 | T | 83.5 | Confident | 85.5 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 162.1 | 167.1 | -53 | 0 | 0 | 0 | 0 | 107.9 | N366 L367 | T364-N366 PolarHBondContact O-N 2.9Å; T364-L367 WeakPolarHBondContact CA-O 3.46Å; T364-L367 PolarHBondContact N-O 3.46Å; T364-L367 PolarHBondContact O-N 2.84Å; T364-L367 VanDerWaalsContact O-O 3.06Å |
| 365 | A | 77.4 | Confident | 84.6 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 65% | 0.653 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -26 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 366 | N | 83.4 | Confident | 83.9 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -2.1 | -179.8 | -66.7 | -41.6 | 0 | 0 | 0 | 114.3 | T364 Q384 T385 | T364-N366 PolarHBondContact O-N 2.9Å; N366-Q384 WeakPolarHBondContact O-CA 3.46Å; N366-Q384 WeakPolarHBondContact O-CG 3.28Å; N366-T385 CarbonylContact C-O 3.59Å; N366-T385 WeakPolarHBondContact CA-O 3.15Å; N366-T385 PolarHBondContact O-N 3.11Å |
| 367 | L | 87 | Confident | 82.9 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 40% | 0.403 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.4 | -174.5 | -72.6 | 112.5 | 0 | 0 | 0 | 109.7 | T364 I382 M383 | T364-L367 WeakPolarHBondContact CA-O 3.46Å; T364-L367 PolarHBondContact N-O 3.46Å; T364-L367 PolarHBondContact O-N 2.84Å; T364-L367 VanDerWaalsContact O-O 3.06Å; L367-I382 HydrophobicContact CD2-CG2 3.68Å; L367-M383 CarbonylContact C-O 3.55Å; L367-M383 WeakPolarHBondContact CA-O 3.14Å |
| 368 | F | 91.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131 | 170.8 | -173.9 | -101.6 | 0 | 0 | 0 | 108.2 | W361 A362 A363 L370 M383 T385 G388 I391 A392 I395 | W361-F368 HydrophobicContact CB-CE2 4.17Å; W361-F368 HydrophobicContact CB-CZ 3.73Å; W361-F368 HydrophobicContact CG-CZ 4.28Å; A362-F368 WeakPolarHBondContact O-CA 3.37Å; A362-F368 WeakPolarHBondContact O-CD2 3.34Å; A363-F368 HydrophobicContact CB-CD2 3.98Å; A363-F368 HydrophobicContact CB-CE2 4.33Å; F368-L370 HydrophobicContact CD1-CG 4.4Å; F368-L370 HydrophobicContact CE1-CD1 4.45Å; F368-L370 HydrophobicContact CE1-CD2 3.53Å; F368-L370 HydrophobicContact CE1-CG 3.8Å; F368-L370 HydrophobicContact CZ-CD2 3.94Å; F368-M383 HydrophobicContact CB-CG 3.76Å; F368-M383 HydrophobicContact CB-SD 4.26Å; F368-M383 HydrophobicContact CD1-CE 3.7Å; F368-M383 HydrophobicContact CD1-CG 4.19Å; F368-M383 HydrophobicContact CD1-SD 3.69Å; F368-M383 HydrophobicContact CE1-CE 4.32Å; F368-M383 HydrophobicContact CG-CG 4.49Å; F368-M383 HydrophobicContact CG-SD 4.44Å; F368-M383 PolarHBondContact N-O 2.92Å; F368-M383 WeakPolarHBondContact O-CG 3.5Å; F368-M383 PolarHBondContact O-N 3.3Å; F368-T385 HydrophobicContact CB-CG2 3.54Å; F368-G388 WeakPolarHBondContact CD2-O 3.3Å; F368-I391 HydrophobicContact CD1-CG2 4.07Å; F368-I391 HydrophobicContact CD2-CB 4.47Å; F368-I391 HydrophobicContact CD2-CG2 4.48Å; F368-I391 HydrophobicContact CE1-CB 4.49Å; F368-I391 HydrophobicContact CE1-CG2 3.55Å; F368-I391 HydrophobicContact CE2-CB 4.26Å; F368-I391 HydrophobicContact CE2-CG2 4.03Å; F368-I391 HydrophobicContact CZ-CB 4.27Å; F368-I391 HydrophobicContact CZ-CG2 3.54Å; F368-A392 HydrophobicContact CE2-CB 3.97Å; F368-I395 HydrophobicContact CE1-CD1 4.24Å; F368-I395 HydrophobicContact CZ-CD1 3.92Å |
| 369 | T | 91 | Very high | 81.7 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.8 | -175.5 | -55.4 | 0 | 0 | 0 | 0 | 109.4 | W361 A362 N380 I382 | W361-T369 CarbonylContact C-O 3.59Å; W361-T369 VanDerWaalsContact CA-O 3.32Å; W361-T369 WeakPolarHBondContact CA-O 3.28Å; A362-T369 PolarHBondContact N-O 3.36Å; A362-T369 PolarHBondContact O-N 2.79Å; T369-N380 HydrophobicContact CG2-CB 3.8Å; T369-I382 HydrophobicContact CG2-CG1 4.04Å |
| 370 | L | 90.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123 | 168.6 | -66.9 | 177 | 0 | 0 | 0 | 109.2 | F332 V339 I358 W361 F368 F372 N380 Y381 M383 I395 | F332-L370 HydrophobicContact CE2-CD1 3.91Å; F332-L370 HydrophobicContact CZ-CD1 3.67Å; V339-L370 HydrophobicContact CG2-CD1 4.2Å; I358-L370 HydrophobicContact CD1-CD2 4.36Å; I358-L370 HydrophobicContact CG2-CD2 4.15Å; W361-L370 HydrophobicContact CB-CD2 3.78Å; F368-L370 HydrophobicContact CD1-CG 4.4Å; F368-L370 HydrophobicContact CE1-CD1 4.45Å; F368-L370 HydrophobicContact CE1-CD2 3.53Å; F368-L370 HydrophobicContact CE1-CG 3.8Å; F368-L370 HydrophobicContact CZ-CD2 3.94Å; L370-F372 HydrophobicContact CB-CE2 4.31Å; L370-F372 HydrophobicContact CB-CZ 4.16Å; L370-F372 HydrophobicContact CD1-CZ 4.33Å; L370-N380 CarbonylContact O-C 3.6Å; L370-N380 WeakPolarHBondContact O-CA 3.47Å; L370-Y381 HydrophobicContact CD1-CD1 4.25Å; L370-Y381 PolarHBondContact N-O 3.23Å; L370-Y381 PolarHBondContact O-N 3.16Å; L370-M383 HydrophobicContact CD1-CE 4.09Å; L370-M383 HydrophobicContact CG-CE 4.28Å; L370-I395 HydrophobicContact CD2-CD1 4.31Å |
| 371 | D | 88.8 | Confident | 81.8 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.1 | 172.9 | 176.5 | 12.1 | 0 | 0 | 0 | 108.8 | R359 R360 G373 N380 | R359-D371 PolarHBondContact N-O 3.04Å; R360-D371 HydrophobicContact CG-CB 3.64Å; R360-D371 IonicContact CZ-OD2 2.73Å; R360-D371 PolarHBondContact N-O 3.15Å; R360-D371 IonicContact NE-OD2 2.92Å; R360-D371 PolarHBondContact NE-OD2 2.89Å; R360-D371 IonicContact NH2-OD2 3.09Å; R360-D371 PolarHBondContact NH2-OD2 3.09Å; R360-D371 PolarHBondContact O-N 3Å; D371-G373 WeakPolarHBondContact OD1-CA 3.21Å; D371-G373 PolarHBondContact OD1-N 2.86Å; D371-N380 WeakPolarHBondContact CB-OD1 3.4Å; D371-N380 PolarHBondContact OD1-OD1 3.34Å; D371-N380 VanDerWaalsContact OD1-OD1 3.12Å |
| 372 | F | 85.7 | Confident | 81.7 | Confident | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | trans | -95.8 | -2.3 | 177.5 | -58.2 | -74.5 | 0 | 0 | 0 | 112.3 | W353 I358 L370 Q374 Y375 | W353-F372 HydrophobicContact CB-CE1 3.77Å; W353-F372 HydrophobicContact CB-CZ 4.18Å; W353-F372 AromaticContact CD1-CE1 3.85Å; W353-F372 AromaticContact CD1-CZ 3.76Å; W353-F372 HydrophobicContact CD2-CE1 4.28Å; W353-F372 AromaticContact CD2-CZ 3.76Å; W353-F372 HydrophobicContact CD2-CZ 3.76Å; W353-F372 AromaticContact CE2-CZ 3.85Å; W353-F372 HydrophobicContact CE3-CZ 4.45Å; W353-F372 AromaticContact CG-CE1 3.7Å; W353-F372 HydrophobicContact CG-CE1 3.7Å; W353-F372 AromaticContact CG-CZ 3.65Å; W353-F372 HydrophobicContact CG-CZ 3.65Å; W353-F372 AromaticContact NE1-CZ 3.91Å; I358-F372 HydrophobicContact CG1-CD1 4.2Å; I358-F372 HydrophobicContact CG1-CE1 3.89Å; L370-F372 HydrophobicContact CB-CE2 4.31Å; L370-F372 HydrophobicContact CB-CZ 4.16Å; L370-F372 HydrophobicContact CD1-CZ 4.33Å; F372-Q374 PolarHBondContact O-N 2.85Å; F372-Y375 WeakPolarHBondContact O-CB 3.26Å; F372-Y375 VanDerWaalsContact O-CD2 3.26Å; F372-Y375 WeakPolarHBondContact O-CD2 3.46Å; F372-Y375 PolarHBondContact O-N 3.45Å; F372-Y375 VanDerWaalsContact O-N 3.12Å | ||
| 373 | G | 79.3 | Confident | 81.8 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | 55 | -128.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D371 Y375 | D371-G373 WeakPolarHBondContact OD1-CA 3.21Å; D371-G373 PolarHBondContact OD1-N 2.86Å; G373-Y375 PolarHBondContact O-N 2.69Å |
| 374 | Q | 75.5 | Confident | 81.9 | Confident | 183 Ų | 183 | 61.7 Ų | 61.7 | 86% | 0.855 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -71 | -13.6 | -179 | -61.7 | 176.2 | 13 | 0 | 0 | 113.6 | F372 S376 | F372-Q374 PolarHBondContact O-N 2.85Å; Q374-S376 PolarHBondContact O-N 2.66Å |
| 375 | Y | 70.2 | Confident | 82.1 | Confident | 149 Ų | 149 | 57.5 Ų | 57.5 | 58% | 0.584 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -73.3 | -11.6 | -178.6 | -63.5 | -70.5 | 0 | 0 | 0 | 113.9 | R357 F372 G373 | R357-Y375 HydrophobicContact CB-CD2 4.26Å; R357-Y375 HydrophobicContact CB-CG 4.23Å; R357-Y375 HydrophobicContact CG-CD1 4.35Å; R357-Y375 HydrophobicContact CG-CG 4.28Å; R357-Y375 WeakPolarHBondContact O-CD2 3.45Å; F372-Y375 WeakPolarHBondContact O-CB 3.26Å; F372-Y375 VanDerWaalsContact O-CD2 3.26Å; F372-Y375 WeakPolarHBondContact O-CD2 3.46Å; F372-Y375 PolarHBondContact O-N 3.45Å; F372-Y375 VanDerWaalsContact O-N 3.12Å; G373-Y375 PolarHBondContact O-N 2.69Å |
| 376 | S | 69.4 | Low | 82.4 | Confident | 29 Ų | 29 | 57 Ų | 57 | 20% | 0.203 | 31% | 0.311 | C | S | . | . | trans | -137.8 | 105.5 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | Q374 D378 G379 | Q374-S376 PolarHBondContact O-N 2.66Å; S376-D378 PolarHBondContact O-N 2.67Å; S376-D378 VanDerWaalsContact O-N 3.16Å; S376-G379 PolarHBondContact O-N 2.89Å | ||
| 377 | P | 62.4 | Low | 82.4 | Confident | 129 Ų | 129 | 54.1 Ų | 54.1 | 84% | 0.838 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.9 | 176.4 | 27.8 | -34.1 | 0 | 0 | 0 | 112.7 | G379 | P377-G379 PolarHBondContact O-N 2.64Š|
| 378 | D | 65.3 | Low | 82.3 | Confident | 119 Ų | 119 | 50.5 Ų | 50.5 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -2.6 | 179.2 | -74.2 | -10.1 | 0 | 0 | 0 | 113.6 | K322 S376 | K322-D378 IonicContact NZ-OD2 3.61Å; K322-D378 PolarHBondContact NZ-OD2 3.43Å; S376-D378 PolarHBondContact O-N 2.67Å; S376-D378 VanDerWaalsContact O-N 3.16Å |
| 379 | G | 78.6 | Confident | 81.9 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | trans | 83.7 | -162.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S376 P377 | S376-G379 PolarHBondContact O-N 2.89Å; P377-G379 PolarHBondContact O-N 2.64Å | ||
| 380 | N | 84.5 | Confident | 81.6 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | trans | -71.2 | 141.4 | -173.4 | -59.3 | -25.8 | 0 | 0 | 0 | 112.4 | T369 L370 D371 I382 | T369-N380 HydrophobicContact CG2-CB 3.8Å; L370-N380 CarbonylContact O-C 3.6Å; L370-N380 WeakPolarHBondContact O-CA 3.47Å; D371-N380 WeakPolarHBondContact CB-OD1 3.4Å; D371-N380 PolarHBondContact OD1-OD1 3.34Å; D371-N380 VanDerWaalsContact OD1-OD1 3.12Å; N380-I382 HydrophobicContact CB-CG1 4.47Å; N380-I382 PolarHBondContact O-N 2.87Å | ||
| 381 | Y | 88.4 | Confident | 81.5 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 108.6 | 170.9 | -178.9 | -114.8 | 0 | 0 | 0 | 110.2 | I317 E319 F332 R341 W353 L370 M383 | I317-Y381 HydrophobicContact CD1-CE1 4.41Å; I317-Y381 WeakPolarHBondContact CD1-OH 3.16Å; E319-Y381 PolarHBondContact OE2-OH 2.64Å; F332-Y381 HydrophobicContact CD2-CE1 4.22Å; F332-Y381 HydrophobicContact CE2-CE1 4.25Å; R341-Y381 VanDerWaalsContact CD-OH 3.3Å; R341-Y381 WeakPolarHBondContact CD-OH 3.26Å; W353-Y381 HydrophobicContact CH2-CD1 4.03Å; W353-Y381 HydrophobicContact CH2-CD2 4.26Å; W353-Y381 AromaticContact CH2-CE1 3.94Å; W353-Y381 HydrophobicContact CH2-CE1 3.94Å; W353-Y381 HydrophobicContact CH2-CE2 4.2Å; W353-Y381 HydrophobicContact CH2-CG 4.2Å; W353-Y381 HydrophobicContact CZ3-CD1 4.37Å; W353-Y381 HydrophobicContact CZ3-CE1 4.19Å; L370-Y381 HydrophobicContact CD1-CD1 4.25Å; L370-Y381 PolarHBondContact N-O 3.23Å; L370-Y381 PolarHBondContact O-N 3.16Å; Y381-M383 HydrophobicContact CD1-CE 3.33Å; Y381-M383 HydrophobicContact CE1-CE 3.22Å; Y381-M383 HydrophobicContact CE1-SD 4.41Å |
| 382 | I | 88.6 | Confident | 81.5 | Confident | 91 Ų | 91 | 59 Ų | 59 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123 | -177.2 | -56.2 | 170.3 | 0 | 0 | 0 | 109.3 | L367 T369 N380 | L367-I382 HydrophobicContact CD2-CG2 3.68Å; T369-I382 HydrophobicContact CG2-CG1 4.04Å; N380-I382 HydrophobicContact CB-CG1 4.47Å; N380-I382 PolarHBondContact O-N 2.87Å |
| 383 | M | 89.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.6 | 174.7 | 69.5 | -162.8 | 77.4 | 0 | 0 | 111.2 | I317 F332 L367 F368 L370 Y381 T385 | I317-M383 HydrophobicContact CB-CB 4.13Å; I317-M383 HydrophobicContact CB-CG 4.41Å; I317-M383 HydrophobicContact CB-SD 4.41Å; I317-M383 HydrophobicContact CD1-CB 3.64Å; I317-M383 HydrophobicContact CD1-CG 4.26Å; I317-M383 HydrophobicContact CD1-SD 3.86Å; I317-M383 HydrophobicContact CG1-CB 4.46Å; I317-M383 HydrophobicContact CG2-CB 4.49Å; I317-M383 HydrophobicContact CG2-CG 4.23Å; I317-M383 HydrophobicContact CG2-SD 3.82Å; F332-M383 HydrophobicContact CB-SD 4.4Å; F332-M383 HydrophobicContact CD1-SD 4.07Å; F332-M383 HydrophobicContact CD2-CE 3.94Å; F332-M383 HydrophobicContact CD2-SD 4.05Å; F332-M383 HydrophobicContact CE1-CE 4.48Å; F332-M383 HydrophobicContact CE1-SD 4.41Å; F332-M383 HydrophobicContact CE2-CE 3.8Å; F332-M383 HydrophobicContact CE2-SD 4.39Å; F332-M383 HydrophobicContact CG-CE 4.36Å; F332-M383 HydrophobicContact CG-SD 3.89Å; F332-M383 HydrophobicContact CZ-CE 4.11Å; L367-M383 CarbonylContact C-O 3.55Å; L367-M383 WeakPolarHBondContact CA-O 3.14Å; F368-M383 HydrophobicContact CB-CG 3.76Å; F368-M383 HydrophobicContact CB-SD 4.26Å; F368-M383 HydrophobicContact CD1-CE 3.7Å; F368-M383 HydrophobicContact CD1-CG 4.19Å; F368-M383 HydrophobicContact CD1-SD 3.69Å; F368-M383 HydrophobicContact CE1-CE 4.32Å; F368-M383 HydrophobicContact CG-CG 4.49Å; F368-M383 HydrophobicContact CG-SD 4.44Å; F368-M383 PolarHBondContact N-O 2.92Å; F368-M383 WeakPolarHBondContact O-CG 3.5Å; F368-M383 PolarHBondContact O-N 3.3Å; L370-M383 HydrophobicContact CD1-CE 4.09Å; L370-M383 HydrophobicContact CG-CE 4.28Å; Y381-M383 HydrophobicContact CD1-CE 3.33Å; Y381-M383 HydrophobicContact CE1-CE 3.22Å; Y381-M383 HydrophobicContact CE1-SD 4.41Å; M383-T385 HydrophobicContact CG-CG2 4.29Å |
| 384 | Q | 89.3 | Confident | 81.8 | Confident | 46 Ų | 46 | 61 Ų | 61 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.2 | 173.3 | -169.4 | -177.2 | 1.5 | 0 | 0 | 109.2 | K318 L327 N366 | K318-Q384 HydrophobicContact CB-CB 4.16Å; K318-Q384 PolarHBondContact N-O 3.15Å; K318-Q384 WeakPolarHBondContact O-CB 3.32Å; K318-Q384 PolarHBondContact O-N 3.02Å; L327-Q384 VanDerWaalsContact CD1-OE1 3.26Å; N366-Q384 WeakPolarHBondContact O-CA 3.46Å; N366-Q384 WeakPolarHBondContact O-CG 3.28Å |
| 385 | T | 87.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | trans | -155.3 | 146.8 | -179.3 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | N366 F368 M383 E387 I391 | N366-T385 CarbonylContact C-O 3.59Å; N366-T385 WeakPolarHBondContact CA-O 3.15Å; N366-T385 PolarHBondContact O-N 3.11Å; F368-T385 HydrophobicContact CB-CG2 3.54Å; M383-T385 HydrophobicContact CG-CG2 4.29Å; T385-E387 PolarHBondContact OG1-N 3.42Å; T385-I391 HydrophobicContact CG2-CD1 3.99Å | ||
| 386 | T | 84.8 | Confident | 83.2 | Confident | 68 Ų | 68 | 47 Ų | 47 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -86.5 | -12.9 | 171 | 53 | 0 | 0 | 0 | 0 | 112.3 | ||
| 387 | E | 82.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -100.8 | 18 | -175 | -62.4 | 170.6 | 147.6 | 0 | 0 | 112 | K163 D170 F315 T385 E389 Q390 I391 | K163-E387 VanDerWaalsContact CE-CD 3.47Å; K163-E387 WeakPolarHBondContact CE-OE1 3.48Å; K163-E387 IonicContact NZ-OE1 3.4Å; K163-E387 PolarHBondContact NZ-OE1 2.78Å; D170-E387 VanDerWaalsContact OD1-OE1 3.13Å; F315-E387 HydrophobicContact CD1-CB 4.15Å; F315-E387 WeakPolarHBondContact CD1-OE2 3.39Å; T385-E387 PolarHBondContact OG1-N 3.42Å; E387-E389 PolarHBondContact O-N 2.75Å; E387-E389 VanDerWaalsContact O-N 3.11Å; E387-Q390 HydrophobicContact CB-CB 4.49Å; E387-Q390 PolarHBondContact O-N 3.21Å; E387-I391 WeakPolarHBondContact O-CG1 3.42Å; E387-I391 PolarHBondContact O-N 2.93Å | ||
| 388 | G | 85.1 | Confident | 85 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.6 | -35 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A363 F368 A392 | A363-G388 VanDerWaalsContact CB-C 3.45Å; A363-G388 WeakPolarHBondContact CB-O 3.4Å; F368-G388 WeakPolarHBondContact CD2-O 3.3Å; G388-A392 WeakPolarHBondContact O-CB 3.3Å; G388-A392 PolarHBondContact O-N 3.31Å |
| 389 | E | 83.5 | Confident | 85.9 | Confident | 132 Ų | 132 | 35 Ų | 35 | 62% | 0.617 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -67 | -42 | 176 | -169.3 | -179.3 | 171 | 0 | 0 | 112.4 | E387 A392 Q393 | E387-E389 PolarHBondContact O-N 2.75Å; E387-E389 VanDerWaalsContact O-N 3.11Å; E389-A392 PolarHBondContact O-N 2.95Å; E389-Q393 VanDerWaalsContact O-CG 3.3Å; E389-Q393 WeakPolarHBondContact O-CG 3.36Å; E389-Q393 PolarHBondContact O-N 3.17Å; E389-Q393 PolarHBondContact OE1-NE2 3Å |
| 390 | Q | 83.9 | Confident | 86 | Confident | 86 Ų | 86 | 37 Ų | 37 | 40% | 0.402 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 177.8 | -61.1 | 177.6 | 10.5 | 0 | 0 | 111 | F315 E387 Q393 L394 | F315-Q390 HydrophobicContact CE1-CB 4.29Å; E387-Q390 HydrophobicContact CB-CB 4.49Å; E387-Q390 PolarHBondContact O-N 3.21Å; Q390-Q393 PolarHBondContact O-N 3.29Å; Q390-L394 WeakPolarHBondContact O-CB 2.87Å; Q390-L394 PolarHBondContact O-N 3.48Å |
| 391 | I | 88.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -47.5 | 174.3 | -60.9 | 171 | 0 | 0 | 0 | 110.2 | F315 F332 V334 F368 T385 E387 Q393 L394 I395 | F315-I391 HydrophobicContact CB-CD1 3.96Å; F315-I391 HydrophobicContact CB-CG1 4.27Å; F315-I391 HydrophobicContact CD1-CD1 4.16Å; F315-I391 HydrophobicContact CD1-CG1 3.66Å; F315-I391 HydrophobicContact CD2-CD1 4.18Å; F315-I391 HydrophobicContact CD2-CG1 3.65Å; F315-I391 HydrophobicContact CE1-CG1 3.81Å; F315-I391 HydrophobicContact CE2-CG1 3.8Å; F315-I391 HydrophobicContact CG-CD1 3.83Å; F315-I391 HydrophobicContact CG-CG1 3.57Å; F315-I391 HydrophobicContact CZ-CG1 3.87Å; F332-I391 HydrophobicContact CD1-CD1 4.36Å; F332-I391 HydrophobicContact CD1-CG2 4.24Å; F332-I391 HydrophobicContact CE1-CG2 3.78Å; V334-I391 HydrophobicContact CG2-CG2 4.29Å; F368-I391 HydrophobicContact CD1-CG2 4.07Å; F368-I391 HydrophobicContact CD2-CB 4.47Å; F368-I391 HydrophobicContact CD2-CG2 4.48Å; F368-I391 HydrophobicContact CE1-CB 4.49Å; F368-I391 HydrophobicContact CE1-CG2 3.55Å; F368-I391 HydrophobicContact CE2-CB 4.26Å; F368-I391 HydrophobicContact CE2-CG2 4.03Å; F368-I391 HydrophobicContact CZ-CB 4.27Å; F368-I391 HydrophobicContact CZ-CG2 3.54Å; T385-I391 HydrophobicContact CG2-CD1 3.99Å; E387-I391 WeakPolarHBondContact O-CG1 3.42Å; E387-I391 PolarHBondContact O-N 2.93Å; I391-Q393 PolarHBondContact O-N 2.98Å; I391-L394 PolarHBondContact O-N 3.5Å; I391-I395 HydrophobicContact CG2-CD1 3.92Å; I391-I395 WeakPolarHBondContact O-CG1 3.4Å; I391-I395 PolarHBondContact O-N 3Å |
| 392 | A | 88.2 | Confident | 85.5 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 12% | 0.116 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A363 F368 G388 E389 L394 S396 | A363-A392 HydrophobicContact CB-CB 4.09Å; F368-A392 HydrophobicContact CE2-CB 3.97Å; G388-A392 WeakPolarHBondContact O-CB 3.3Å; G388-A392 PolarHBondContact O-N 3.31Å; E389-A392 PolarHBondContact O-N 2.95Å; A392-L394 VanDerWaalsContact C-N 3.33Å; A392-L394 PolarHBondContact O-N 2.98Å; A392-S396 WeakPolarHBondContact O-CB 3.4Å; A392-S396 PolarHBondContact O-N 3.13Å; A392-S396 PolarHBondContact O-OG 2.94Å |
| 393 | Q | 85.2 | Confident | 85 | Confident | 63 Ų | 63 | 33.9 Ų | 33.9 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.9 | -39 | 178.7 | -73.2 | 178.8 | 18.7 | 0 | 0 | 111.8 | E389 Q390 I391 S396 G397 | E389-Q393 VanDerWaalsContact O-CG 3.3Å; E389-Q393 WeakPolarHBondContact O-CG 3.36Å; E389-Q393 PolarHBondContact O-N 3.17Å; E389-Q393 PolarHBondContact OE1-NE2 3Å; Q390-Q393 PolarHBondContact O-N 3.29Å; I391-Q393 PolarHBondContact O-N 2.98Å; Q393-S396 PolarHBondContact O-N 3.3Å; Q393-G397 PolarHBondContact O-N 3.39Å |
| 394 | L | 86.7 | Confident | 84.5 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.1 | -46 | 179.4 | -173.2 | 73.9 | 0 | 0 | 0 | 112 | Y198 T313 F315 V334 Q390 I391 A392 S396 G397 Y398 | Y198-L394 HydrophobicContact CD1-CD1 4.19Å; Y198-L394 HydrophobicContact CE1-CD1 3.99Å; T313-L394 HydrophobicContact CG2-CD2 4.15Å; T313-L394 WeakPolarHBondContact OG1-CD2 3.26Å; F315-L394 HydrophobicContact CE2-CD2 3.99Å; F315-L394 HydrophobicContact CZ-CD2 4.17Å; V334-L394 HydrophobicContact CB-CD2 3.73Å; V334-L394 HydrophobicContact CG1-CD2 3.82Å; V334-L394 HydrophobicContact CG1-CG 4.24Å; V334-L394 HydrophobicContact CG2-CD2 4.36Å; Q390-L394 WeakPolarHBondContact O-CB 2.87Å; Q390-L394 PolarHBondContact O-N 3.48Å; I391-L394 PolarHBondContact O-N 3.5Å; A392-L394 VanDerWaalsContact C-N 3.33Å; A392-L394 PolarHBondContact O-N 2.98Å; L394-S396 VanDerWaalsContact C-N 3.33Å; L394-S396 PolarHBondContact O-N 3.3Å; L394-G397 PolarHBondContact O-N 3.14Å; L394-Y398 HydrophobicContact CD1-CD2 4.5Å; L394-Y398 HydrophobicContact CD1-CE2 3.95Å; L394-Y398 HydrophobicContact CD2-CE2 4.11Å; L394-Y398 HydrophobicContact CG-CD2 4.1Å; L394-Y398 HydrophobicContact CG-CE2 3.78Å; L394-Y398 WeakPolarHBondContact O-CD2 3.47Å; L394-Y398 PolarHBondContact O-N 3.45Å |
| 395 | I | 89.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 174.7 | -67.5 | 172.5 | 0 | 0 | 0 | 109.9 | V334 V339 L355 W361 F368 L370 I391 G397 Y398 V399 | V334-I395 HydrophobicContact CG1-CG1 3.76Å; V334-I395 HydrophobicContact CG2-CG1 4.29Å; V339-I395 HydrophobicContact CG1-CD1 4.24Å; L355-I395 HydrophobicContact CD2-CG2 4.14Å; W361-I395 HydrophobicContact CD2-CG2 3.87Å; W361-I395 HydrophobicContact CE3-CG2 3.73Å; W361-I395 HydrophobicContact CH2-CG2 3.88Å; W361-I395 HydrophobicContact CZ2-CG2 4.02Å; W361-I395 HydrophobicContact CZ3-CG2 3.73Å; F368-I395 HydrophobicContact CE1-CD1 4.24Å; F368-I395 HydrophobicContact CZ-CD1 3.92Å; L370-I395 HydrophobicContact CD2-CD1 4.31Å; I391-I395 HydrophobicContact CG2-CD1 3.92Å; I391-I395 WeakPolarHBondContact O-CG1 3.4Å; I391-I395 PolarHBondContact O-N 3Å; I395-G397 VanDerWaalsContact C-N 3.3Å; I395-G397 PolarHBondContact O-N 2.85Å; I395-Y398 PolarHBondContact O-N 3.27Å; I395-V399 HydrophobicContact CG2-CG2 4.36Å; I395-V399 VanDerWaalsContact O-CG2 3.31Å; I395-V399 WeakPolarHBondContact O-CG2 3.5Å; I395-V399 PolarHBondContact O-N 3.19Å |
| 396 | S | 86.2 | Confident | 83.2 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 176.5 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | W361 A392 Q393 L394 V399 D400 | W361-S396 VanDerWaalsContact CZ2-OG 3.32Å; W361-S396 WeakPolarHBondContact CZ2-OG 3.03Å; W361-S396 PolarHBondContact NE1-OG 3.44Å; A392-S396 WeakPolarHBondContact O-CB 3.4Å; A392-S396 PolarHBondContact O-N 3.13Å; A392-S396 PolarHBondContact O-OG 2.94Å; Q393-S396 PolarHBondContact O-N 3.3Å; L394-S396 VanDerWaalsContact C-N 3.33Å; L394-S396 PolarHBondContact O-N 3.3Å; S396-V399 PolarHBondContact O-N 3.42Å; S396-D400 WeakPolarHBondContact O-CB 3.47Å; S396-D400 PolarHBondContact O-N 2.63Å |
| 397 | G | 82.7 | Confident | 82.6 | Confident | 7 Ų | 7 | 55 Ų | 55 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q393 L394 I395 D400 I401 | Q393-G397 PolarHBondContact O-N 3.39Å; L394-G397 PolarHBondContact O-N 3.14Å; I395-G397 VanDerWaalsContact C-N 3.3Å; I395-G397 PolarHBondContact O-N 2.85Å; G397-D400 PolarHBondContact O-N 3.15Å; G397-I401 VanDerWaalsContact O-CG1 3.28Å; G397-I401 WeakPolarHBondContact O-CG1 3.48Å; G397-I401 PolarHBondContact O-N 2.86Å; G397-I401 VanDerWaalsContact O-N 3.08Å |
| 398 | Y | 86.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.2 | -77.1 | -53.8 | 0 | 0 | 0 | 112 | Y198 V334 S335 K336 L394 I395 D400 I401 I402 | Y198-Y398 HydrophobicContact CD1-CD1 4.05Å; Y198-Y398 AromaticContact CD1-CE1 3.92Å; Y198-Y398 HydrophobicContact CD1-CE1 3.92Å; Y198-Y398 HydrophobicContact CD1-CG 4.45Å; V334-Y398 HydrophobicContact CG1-CD2 3.92Å; V334-Y398 HydrophobicContact CG1-CE2 4Å; S335-Y398 WeakPolarHBondContact O-CD2 3.42Å; K336-Y398 HydrophobicContact CB-CD1 3.89Å; K336-Y398 HydrophobicContact CB-CE1 3.95Å; L394-Y398 HydrophobicContact CD1-CD2 4.5Å; L394-Y398 HydrophobicContact CD1-CE2 3.95Å; L394-Y398 HydrophobicContact CD2-CE2 4.11Å; L394-Y398 HydrophobicContact CG-CD2 4.1Å; L394-Y398 HydrophobicContact CG-CE2 3.78Å; L394-Y398 WeakPolarHBondContact O-CD2 3.47Å; L394-Y398 PolarHBondContact O-N 3.45Å; I395-Y398 PolarHBondContact O-N 3.27Å; Y398-D400 PolarHBondContact O-N 3.33Å; Y398-I401 PolarHBondContact O-N 3.22Å; Y398-I402 WeakPolarHBondContact O-CD1 3.43Å; Y398-I402 WeakPolarHBondContact O-CG1 3.36Å; Y398-I402 PolarHBondContact O-N 2.96Å |
| 399 | V | 85 | Confident | 80.2 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | L355 W361 I395 S396 I401 I402 L403 | L355-V399 HydrophobicContact CD2-CG2 3.63Å; W361-V399 HydrophobicContact CH2-CG2 4.13Å; W361-V399 HydrophobicContact CZ3-CG2 4.46Å; I395-V399 HydrophobicContact CG2-CG2 4.36Å; I395-V399 VanDerWaalsContact O-CG2 3.31Å; I395-V399 WeakPolarHBondContact O-CG2 3.5Å; I395-V399 PolarHBondContact O-N 3.19Å; S396-V399 PolarHBondContact O-N 3.42Å; V399-I401 PolarHBondContact O-N 3.47Å; V399-I402 PolarHBondContact O-N 2.98Å; V399-L403 HydrophobicContact CG1-CD1 3.75Å; V399-L403 HydrophobicContact CG1-CG 4.18Å; V399-L403 WeakPolarHBondContact O-CB 3.44Å; V399-L403 WeakPolarHBondContact O-CG 3.39Å; V399-L403 PolarHBondContact O-N 3.45Å |
| 400 | D | 80.5 | Confident | 78.7 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.5 | -75.5 | -16.5 | 0 | 0 | 0 | 112.1 | S396 G397 Y398 R404 | S396-D400 WeakPolarHBondContact O-CB 3.47Å; S396-D400 PolarHBondContact O-N 2.63Å; G397-D400 PolarHBondContact O-N 3.15Å; Y398-D400 PolarHBondContact O-N 3.33Å; D400-R404 WeakPolarHBondContact O-CB 3.42Å; D400-R404 PolarHBondContact O-N 3.3Å |
| 401 | I | 81.1 | Confident | 77.1 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.8 | -68.7 | 165.8 | 0 | 0 | 0 | 110.8 | Y198 Y200 G397 Y398 V399 R404 R405 | Y198-I401 HydrophobicContact CD1-CD1 4.16Å; Y198-I401 HydrophobicContact CD2-CD1 3.95Å; Y198-I401 HydrophobicContact CG-CD1 3.74Å; Y200-I401 HydrophobicContact CD2-CG2 3.67Å; Y200-I401 HydrophobicContact CE2-CG2 3.85Å; Y200-I401 HydrophobicContact CG-CG2 4.03Å; G397-I401 VanDerWaalsContact O-CG1 3.28Å; G397-I401 WeakPolarHBondContact O-CG1 3.48Å; G397-I401 PolarHBondContact O-N 2.86Å; G397-I401 VanDerWaalsContact O-N 3.08Å; Y398-I401 PolarHBondContact O-N 3.22Å; V399-I401 PolarHBondContact O-N 3.47Å; I401-R404 PolarHBondContact O-N 3.05Å; I401-R405 VanDerWaalsContact O-CG 3.32Å; I401-R405 WeakPolarHBondContact O-CG 3.41Å; I401-R405 PolarHBondContact O-N 3.03Å; I401-R405 VanDerWaalsContact O-N 3.17Å |
| 402 | I | 80.5 | Confident | 74.7 | Confident | 49.5 Ų | 49.5 | 72.9 Ų | 72.9 | 25% | 0.254 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.5 | -51.9 | 176.5 | -67.6 | 160.6 | 0 | 0 | 0 | 110.4 | Y200 K336 Y398 V399 R404 R405 Q406 | Y200-I402 HydrophobicContact CE2-CG1 3.99Å; K336-I402 WeakPolarHBondContact O-CD1 3.43Å; Y398-I402 WeakPolarHBondContact O-CD1 3.43Å; Y398-I402 WeakPolarHBondContact O-CG1 3.36Å; Y398-I402 PolarHBondContact O-N 2.96Å; V399-I402 PolarHBondContact O-N 2.98Å; I402-R404 VanDerWaalsContact C-N 3.32Å; I402-R404 PolarHBondContact O-N 3.36Å; I402-R405 PolarHBondContact O-N 3.21Å; I402-Q406 WeakPolarHBondContact O-CG 3.32Å; I402-Q406 PolarHBondContact O-N 3.04Å |
| 403 | L | 78.9 | Confident | 72.3 | Confident | 54.5 Ų | 54.5 | 81.4 Ų | 81.4 | 29% | 0.285 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | -179.3 | -70.2 | 173.3 | 0 | 0 | 0 | 111.9 | V399 Q406 R407 | V399-L403 HydrophobicContact CG1-CD1 3.75Å; V399-L403 HydrophobicContact CG1-CG 4.18Å; V399-L403 WeakPolarHBondContact O-CB 3.44Å; V399-L403 WeakPolarHBondContact O-CG 3.39Å; V399-L403 PolarHBondContact O-N 3.45Å; L403-Q406 PolarHBondContact O-N 2.84Å; L403-R407 WeakPolarHBondContact O-CG 3.36Å; L403-R407 PolarHBondContact O-N 2.92Å; L403-R407 VanDerWaalsContact O-N 3.12Å |
| 404 | R | 78.6 | Confident | 70.3 | Confident | 149.5 Ų | 149.5 | 84.9 Ų | 84.9 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 177.5 | -166.8 | -177.8 | -59.9 | -177.6 | 2.4 | 112.1 | E127 D400 I401 I402 Q406 S408 | E127-R404 WeakPolarHBondContact OE1-CD 3.43Å; E127-R404 IonicContact OE1-CZ 3.64Å; E127-R404 IonicContact OE1-NE 3.77Å; E127-R404 IonicContact OE1-NH1 2.75Å; E127-R404 PolarHBondContact OE1-NH1 3.48Å; D400-R404 WeakPolarHBondContact O-CB 3.42Å; D400-R404 PolarHBondContact O-N 3.3Å; I401-R404 PolarHBondContact O-N 3.05Å; I402-R404 VanDerWaalsContact C-N 3.32Å; I402-R404 PolarHBondContact O-N 3.36Å; R404-Q406 VanDerWaalsContact C-N 3.35Å; R404-S408 PolarHBondContact O-N 3.3Å; R404-S408 PolarHBondContact O-OG 2.98Å |
| 405 | R | 74.4 | Confident | 67.8 | Low | 123 Ų | 123 | 93.8 Ų | 93.8 | 46% | 0.464 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72 | -24.6 | 176.1 | -72.9 | -178.4 | 178.4 | -175.6 | 4 | 113.8 | S201 I401 I402 S408 | S201-R405 PolarHBondContact OG-NH2 3.03Å; I401-R405 VanDerWaalsContact O-CG 3.32Å; I401-R405 WeakPolarHBondContact O-CG 3.41Å; I401-R405 PolarHBondContact O-N 3.03Å; I401-R405 VanDerWaalsContact O-N 3.17Å; I402-R405 PolarHBondContact O-N 3.21Å; R405-S408 PolarHBondContact O-OG 3.28Å |
| 406 | Q | 74.4 | Confident | 65.3 | Low | 102.5 Ų | 102.5 | 97 Ų | 97 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.9 | -47 | 172.6 | -75.4 | 174.1 | -16.9 | 0 | 0 | 111.1 | I402 L403 R404 S408 R409 D410 | I402-Q406 WeakPolarHBondContact O-CG 3.32Å; I402-Q406 PolarHBondContact O-N 3.04Å; L403-Q406 PolarHBondContact O-N 2.84Å; R404-Q406 VanDerWaalsContact C-N 3.35Å; Q406-S408 VanDerWaalsContact C-N 3.25Å; Q406-S408 PolarHBondContact O-N 3.12Å; Q406-R409 WeakPolarHBondContact O-CB 3.48Å; Q406-R409 PolarHBondContact O-N 3.37Å; Q406-D410 PolarHBondContact O-N 3.1Å |
| 407 | R | 72.8 | Confident | 63.1 | Low | 184 Ų | 184 | 102.9 Ų | 102.9 | 69% | 0.694 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.6 | -34.5 | 177.6 | -70.5 | 178 | -173.9 | -175.2 | 3.2 | 113.7 | L403 R409 S411 | L403-R407 WeakPolarHBondContact O-CG 3.36Å; L403-R407 PolarHBondContact O-N 2.92Å; L403-R407 VanDerWaalsContact O-N 3.12Å; R407-R409 VanDerWaalsContact C-N 3.34Å; R407-R409 PolarHBondContact O-N 2.81Å; R407-S411 PolarHBondContact O-OG 3.02Å |
| 408 | S | 58.7 | Low | 60.9 | Low | 86.5 Ų | 86.5 | 111.5 Ų | 111.5 | 61% | 0.605 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.6 | -11.7 | 176.8 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | R404 R405 Q406 | R404-S408 PolarHBondContact O-N 3.3Å; R404-S408 PolarHBondContact O-OG 2.98Å; R405-S408 PolarHBondContact O-OG 3.28Å; Q406-S408 VanDerWaalsContact C-N 3.25Å; Q406-S408 PolarHBondContact O-N 3.12Å |
| 409 | R | 59.4 | Low | 58.7 | Low | 213 Ų | 213 | 119.9 Ų | 119.9 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -92.2 | -35.8 | 174.5 | -80.4 | -177.9 | 154.4 | -165.4 | -7.5 | 112.8 | Q406 R407 S411 | Q406-R409 WeakPolarHBondContact O-CB 3.48Å; Q406-R409 PolarHBondContact O-N 3.37Å; R407-R409 VanDerWaalsContact C-N 3.34Å; R407-R409 PolarHBondContact O-N 2.81Å; R409-S411 PolarHBondContact O-N 2.88Å; R409-S411 VanDerWaalsContact O-N 3.16Å |
| 410 | D | 50.8 | Low | 56.4 | Low | 144 Ų | 144 | 126.8 Ų | 126.8 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -10.2 | 179.5 | -64.9 | -26.7 | 0 | 0 | 0 | 113.5 | Q406 G412 | Q406-D410 PolarHBondContact O-N 3.1Å; D410-G412 VanDerWaalsContact C-N 3.32Å; D410-G412 PolarHBondContact O-N 3.22Å; D410-G412 VanDerWaalsContact O-N 3.09Å |
| 411 | S | 50.9 | Low | 54.3 | Low | 101.5 Ų | 101.5 | 128.8 Ų | 128.8 | 71% | 0.71 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 37.6 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 112.7 | R407 R409 | R407-S411 PolarHBondContact O-OG 3.02Å; R409-S411 PolarHBondContact O-N 2.88Å; R409-S411 VanDerWaalsContact O-N 3.16Å |
| 412 | G | 38.2 | Very low | 52.3 | Low | 58.5 Ų | 58.5 | 134.4 Ų | 134.4 | 60% | 0.603 | 69% | 0.692 | S | S | * | * | trans | -103.3 | 128.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D410 | D410-G412 VanDerWaalsContact C-N 3.32Å; D410-G412 PolarHBondContact O-N 3.22Å; D410-G412 VanDerWaalsContact O-N 3.09Å | ||
| 413 | Q | 38.7 | Very low | 50.5 | Low | 192.5 Ų | 192.5 | 138.8 Ų | 138.8 | 90% | 0.9 | 72% | 0.715 | S | S | * | * | trans | 5.4 | 120.8 | -178.9 | -57.8 | 176.5 | -11.8 | 0 | 0 | 111.7 | ||||
| 414 | T | 41.7 | Very low | 48.5 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | -159 | 144.1 | 89.9 | -57.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 415 | E | 34.7 | Very low | 46.6 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | -52.2 | 135.8 | 174.2 | -61 | 176 | 140.7 | 0 | 0 | 114.2 | ||||
| 416 | G | 37.5 | Very low | 44.7 | Very low | 67 Ų | 67 | 145.4 Ų | 145.4 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | 156.8 | 105.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 417 | D | 39.4 | Very low | 42.9 | Very low | 160.5 Ų | 160.5 | 146.2 Ų | 146.2 | 86% | 0.858 | 77% | 0.767 | S | S | * | * | trans | 84.4 | 91.3 | 154 | -58.2 | -14 | 0 | 0 | 0 | 117.7 | E419 | D417-E419 PolarHBondContact O-N 2.66Š| ||
| 418 | E | 36.7 | Very low | 41.2 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -20.3 | 122.1 | 140.6 | -58.6 | -171.3 | 154.4 | 0 | 0 | 116.1 | ||||
| 419 | E | 39.5 | Very low | 40.1 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 128.4 | 41.8 | 166.9 | -93.1 | -168.4 | 152.7 | 0 | 0 | 117.2 | D417 | D417-E419 PolarHBondContact O-N 2.66Š|
| 420 | N | 37.6 | Very low | 38.8 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -128.8 | 67.4 | 162.7 | -87.6 | -64.5 | 0 | 0 | 0 | 112.6 | I422 | N420-I422 PolarHBondContact O-N 3.3Š| ||
| 421 | T | 36.5 | Very low | 37.9 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -74.6 | 109.2 | 175.5 | 30 | 0 | 0 | 0 | 0 | 111.2 | I423 | T421-I423 PolarHBondContact O-N 2.97Š| ||
| 422 | I | 39.3 | Very low | 37.1 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | trans | -94 | 110.7 | 167.5 | -59.3 | 176.6 | 0 | 0 | 0 | 108.5 | N420 E424 | N420-I422 PolarHBondContact O-N 3.3Å; I422-E424 HydrophobicContact CG2-CG 4.23Å; I422-E424 PolarHBondContact O-N 3.27Å | ||
| 423 | I | 41.6 | Very low | 36.8 | Very low | 142.5 Ų | 142.5 | 143 Ų | 143 | 73% | 0.731 | 78% | 0.779 | S | S | * | * | trans | -75.6 | 125.7 | -179 | -62 | 167.2 | 0 | 0 | 0 | 110 | T421 E425 | T421-I423 PolarHBondContact O-N 2.97Å; I423-E425 HydrophobicContact CG2-CG 4.33Å; I423-E425 PolarHBondContact O-N 3.45Å | ||
| 424 | E | 37.1 | Very low | 36.5 | Very low | 153.5 Ų | 153.5 | 140.5 Ų | 140.5 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | -32.7 | 111.2 | 163.7 | -69.4 | 178.9 | 145.6 | 0 | 0 | 116.2 | I422 N426 | I422-E424 HydrophobicContact CG2-CG 4.23Å; I422-E424 PolarHBondContact O-N 3.27Å; E424-N426 PolarHBondContact O-N 3.43Å | ||
| 425 | E | 37.9 | Very low | 36.1 | Very low | 166.5 Ų | 166.5 | 140.7 Ų | 140.7 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | -116.2 | 115.5 | 141.2 | -92.7 | -170.2 | 143 | 0 | 0 | 112 | I423 I427 | I423-E425 HydrophobicContact CG2-CG 4.33Å; I423-E425 PolarHBondContact O-N 3.45Å; E425-I427 PolarHBondContact O-N 3.27Å | ||
| 426 | N | 36.2 | Very low | 35.7 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -7.4 | 101.4 | 160.7 | -74.8 | -31.6 | 0 | 0 | 0 | 115.8 | E424 A428 | E424-N426 PolarHBondContact O-N 3.43Å; N426-A428 VanDerWaalsContact C-N 3.28Å; N426-A428 PolarHBondContact O-N 3.25Å | ||
| 427 | I | 35.5 | Very low | 35.4 | Very low | 119.5 Ų | 119.5 | 139.5 Ų | 139.5 | 61% | 0.613 | 77% | 0.767 | S | S | * | * | trans | -84.9 | 85.3 | 160.9 | -54.6 | 175.3 | 0 | 0 | 0 | 108.3 | E425 | E425-I427 PolarHBondContact O-N 3.27Š| ||
| 428 | A | 38.2 | Very low | 34.9 | Very low | 74 Ų | 74 | 140.2 Ų | 140.2 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | trans | -80.8 | 132.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N426 S430 | N426-A428 VanDerWaalsContact C-N 3.28Å; N426-A428 PolarHBondContact O-N 3.25Å; A428-S430 VanDerWaalsContact C-N 3.29Å; A428-S430 PolarHBondContact O-N 3.22Å | ||
| 429 | P | 33.9 | Very low | 34.4 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | -74.6 | 78.8 | 179.3 | 30.4 | -34.5 | 0 | 0 | 0 | 111 | ||||
| 430 | S | 33.3 | Very low | 34 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -123.6 | 123.5 | 171.6 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | A428 A432 | A428-S430 VanDerWaalsContact C-N 3.29Å; A428-S430 PolarHBondContact O-N 3.22Å; S430-A432 PolarHBondContact O-N 3.04Å | ||
| 431 | K | 32 | Very low | 33.7 | Very low | 197 Ų | 197 | 132.6 Ų | 132.6 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | 5.8 | 109.8 | 164.8 | -65.2 | 175.6 | -178.7 | 175.8 | 0 | 113.4 | N433 | K431-N433 PolarHBondContact O-N 3.13Å; K431-N433 VanDerWaalsContact O-N 3.12Å | ||
| 432 | A | 33.3 | Very low | 33.5 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -85 | 108.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S430 | S430-A432 PolarHBondContact O-N 3.04Š| ||
| 433 | N | 31.8 | Very low | 33.1 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -84.7 | 115.5 | 174 | -122 | 4.3 | 0 | 0 | 0 | 109 | K431 I435 | K431-N433 PolarHBondContact O-N 3.13Å; K431-N433 VanDerWaalsContact O-N 3.12Å; N433-I435 PolarHBondContact O-N 2.88Å; N433-I435 VanDerWaalsContact O-N 3.1Å | ||
| 434 | V | 31.9 | Very low | 32.5 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -74.3 | 97.1 | 177.8 | 180 | 0 | 0 | 0 | 0 | 109 | A436 | V434-A436 PolarHBondContact O-N 3Å; V434-A436 VanDerWaalsContact O-N 3.15Å | ||
| 435 | I | 33.9 | Very low | 32.1 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | -80.9 | 107.2 | 168.6 | -59.6 | 176.1 | 0 | 0 | 0 | 107.7 | N433 N437 | N433-I435 PolarHBondContact O-N 2.88Å; N433-I435 VanDerWaalsContact O-N 3.1Å; I435-N437 HydrophobicContact CG2-CB 3.96Å; I435-N437 PolarHBondContact O-N 2.97Å | ||
| 436 | A | 27 | Very low | 31.7 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -77.1 | 113.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V434 | V434-A436 PolarHBondContact O-N 3Å; V434-A436 VanDerWaalsContact O-N 3.15Å | ||
| 437 | N | 31.4 | Very low | 31.3 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -124.9 | 132.4 | 167.9 | -98.1 | -11.9 | 0 | 0 | 0 | 110.8 | I435 | I435-N437 HydrophobicContact CG2-CB 3.96Å; I435-N437 PolarHBondContact O-N 2.97Å | ||
| 438 | M | 28.4 | Very low | 31 | Very low | 175.5 Ų | 175.5 | 138.3 Ų | 138.3 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -24.5 | 135.6 | 170.1 | -67 | -150.9 | 145.7 | 0 | 0 | 116.9 | A440 | M438-A440 PolarHBondContact O-N 3.02Š| ||
| 439 | S | 25.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | 8.5 | 85.5 | 153.5 | -60.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 440 | A | 31.3 | Very low | 30.3 | Very low | 93.5 Ų | 93.5 | 147.6 Ų | 147.6 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -144.8 | 129.4 | 150 | 0 | 0 | 0 | 0 | 0 | 109.7 | M438 L442 | M438-A440 PolarHBondContact O-N 3.02Å; A440-L442 PolarHBondContact O-N 3.03Å | ||
| 441 | T | 31.3 | Very low | 30.1 | Very low | 144.5 Ų | 144.5 | 146.7 Ų | 146.7 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -77.9 | 111.4 | -174.9 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 442 | L | 31.4 | Very low | 29.9 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -112.7 | 133.9 | 164.8 | -91.4 | 160.5 | 0 | 0 | 0 | 109.9 | A440 | A440-L442 PolarHBondContact O-N 3.03Š|
| 443 | P | 32.1 | Very low | 29.6 | Very low | 122.5 Ų | 122.5 | 149 Ų | 149 | 80% | 0.795 | 83% | 0.827 | S | S | * | * | trans | -70.3 | 137.9 | 178.8 | -13.2 | 28 | 0 | 0 | 0 | 112.1 | G445 | P443-G445 PolarHBondContact O-N 3.48Š| ||
| 444 | R | 27.7 | Very low | 29.6 | Very low | 234.5 Ų | 234.5 | 147 Ų | 147 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 105 | 175.9 | -141.6 | 173 | 178.2 | 174.2 | -3.3 | 109.8 | N325 | N325-R444 PolarHBondContact ND2-NH2 3.48Å; N325-R444 PolarHBondContact OD1-NH2 3.31Å |
| 445 | G | 29.2 | Very low | 29.6 | Very low | 68.5 Ų | 68.5 | 149.4 Ų | 149.4 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178 | 4.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 118 | P443 | P443-G445 PolarHBondContact O-N 3.48Š|
| 446 | H | 31 | Very low | 29.2 | Very low | 198.5 Ų | 198.5 | 148.9 Ų | 148.9 | 92% | 0.919 | 83% | 0.831 | S | S | * | * | trans | -108.4 | 101.7 | 176.2 | -84 | -2.8 | 0 | 0 | 0 | 112.6 | A448 | H446-A448 PolarHBondContact O-N 3.04Š| ||
| 447 | R | 27.8 | Very low | 29.3 | Very low | 240.5 Ų | 240.5 | 147.9 Ų | 147.9 | 91% | 0.908 | 83% | 0.829 | S | S | * | * | trans | -76.7 | 104.3 | 160.9 | -164.8 | 179.6 | -168.3 | 178.4 | 1.8 | 105.9 | Q449 | R447-Q449 PolarHBondContact O-N 3.19Å; R447-Q449 VanDerWaalsContact O-N 3.09Å | ||
| 448 | A | 28.7 | Very low | 29.3 | Very low | 91.5 Ų | 91.5 | 148.2 Ų | 148.2 | 76% | 0.756 | 83% | 0.83 | S | S | * | * | trans | -64.8 | 117.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | H446 | H446-A448 PolarHBondContact O-N 3.04Š| ||
| 449 | Q | 28.6 | Very low | 29.3 | Very low | 189.5 Ų | 189.5 | 147.5 Ų | 147.5 | 89% | 0.886 | 83% | 0.828 | S | S | * | * | trans | -68 | 130 | 164.9 | -88.9 | 169.6 | -64 | 0 | 0 | 108.4 | R447 A451 | R447-Q449 PolarHBondContact O-N 3.19Å; R447-Q449 VanDerWaalsContact O-N 3.09Å; Q449-A451 VanDerWaalsContact C-N 3.32Å; Q449-A451 PolarHBondContact O-N 3.14Å | ||
| 450 | E | 28.2 | Very low | 29.5 | Very low | 191 Ų | 191 | 152.7 Ų | 152.7 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | -71.3 | 93.3 | 171.4 | -66.1 | -176.6 | 144.7 | 0 | 0 | 108.8 | ||||
| 451 | A | 28.4 | Very low | 29.2 | Very low | 79 Ų | 79 | 154.9 Ų | 154.9 | 65% | 0.653 | 83% | 0.832 | S | S | * | * | trans | -111.3 | 137.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q449 L453 | Q449-A451 VanDerWaalsContact C-N 3.32Å; Q449-A451 PolarHBondContact O-N 3.14Å; A451-L453 PolarHBondContact O-N 3.04Å; A451-L453 VanDerWaalsContact O-N 3.09Å | ||
| 452 | N | 28.9 | Very low | 29.1 | Very low | 154.5 Ų | 154.5 | 152.6 Ų | 152.6 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | 19 | 85.9 | 176.7 | -57.3 | -29.5 | 0 | 0 | 0 | 112.9 | S454 | N452-S454 VanDerWaalsContact C-N 3.35Å; N452-S454 PolarHBondContact O-N 2.93Å | ||
| 453 | L | 27.5 | Very low | 29 | Very low | 179.5 Ų | 179.5 | 150.1 Ų | 150.1 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | trans | -100.4 | 88 | 159.7 | -73.5 | 171.5 | 0 | 0 | 0 | 109.1 | A451 H455 | A451-L453 PolarHBondContact O-N 3.04Å; A451-L453 VanDerWaalsContact O-N 3.09Å; L453-H455 PolarHBondContact O-N 3.37Å | ||
| 454 | S | 31.4 | Very low | 29 | Very low | 109.5 Ų | 109.5 | 153.5 Ų | 153.5 | 77% | 0.766 | 83% | 0.83 | S | S | * | * | trans | -67.2 | 131.7 | 168.4 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | N452 T456 | N452-S454 VanDerWaalsContact C-N 3.35Å; N452-S454 PolarHBondContact O-N 2.93Å; S454-T456 PolarHBondContact O-N 3.47Å | ||
| 455 | H | 30.8 | Very low | 29 | Very low | 190.5 Ų | 190.5 | 153.5 Ų | 153.5 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -87.4 | 109.9 | 179.1 | -138.6 | -67.6 | 0 | 0 | 0 | 109.6 | L453 G457 | L453-H455 PolarHBondContact O-N 3.37Å; H455-G457 PolarHBondContact O-N 2.93Å | ||
| 456 | T | 26.6 | Very low | 29 | Very low | 129.5 Ų | 129.5 | 158.4 Ų | 158.4 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | trans | -77.4 | 107 | 174.2 | -42.1 | 0 | 0 | 0 | 0 | 109.8 | S454 L458 | S454-T456 PolarHBondContact O-N 3.47Å; T456-L458 HydrophobicContact CG2-CD1 4.32Å; T456-L458 PolarHBondContact O-N 2.85Å | ||
| 457 | G | 29.6 | Very low | 29 | Very low | 66.5 Ų | 66.5 | 155.4 Ų | 155.4 | 69% | 0.686 | 82% | 0.824 | S | S | * | * | trans | -141.4 | 100.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H455 | H455-G457 PolarHBondContact O-N 2.93Š| ||
| 458 | L | 31 | Very low | 28.9 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -13.4 | 122.8 | 156.7 | -82 | 92.4 | 0 | 0 | 0 | 115.1 | T456 | T456-L458 HydrophobicContact CG2-CD1 4.32Å; T456-L458 PolarHBondContact O-N 2.85Å | ||
| 459 | L | 27.5 | Very low | 29.1 | Very low | 159.5 Ų | 159.5 | 156.5 Ų | 156.5 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | 120.9 | 118.5 | 128.4 | -86.1 | 173 | 0 | 0 | 0 | 116.3 | |||||
| 460 | R | 30.3 | Very low | 29 | Very low | 241.5 Ų | 241.5 | 156.6 Ų | 156.6 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | 120.3 | 123.2 | 128.8 | -156.5 | 170.3 | -158.2 | 154.7 | 3.5 | 115.2 | |||||
| 461 | T | 25.3 | Very low | 29.1 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | trans | -79.6 | 141.5 | 175 | 51 | 0 | 0 | 0 | 0 | 113 | ||||
| 462 | A | 29.8 | Very low | 29.1 | Very low | 98 Ų | 98 | 156.4 Ų | 156.4 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | -139.5 | 120.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 463 | S | 29 | Very low | 29.1 | Very low | 113 Ų | 113 | 157 Ų | 157 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | trans | 147.8 | 115.6 | 141.1 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 464 | Q | 32.6 | Very low | 29.3 | Very low | 194.5 Ų | 194.5 | 152.2 Ų | 152.2 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -152.5 | 139.7 | 145.7 | -106.2 | 170.6 | 11.8 | 0 | 0 | 110.6 | ||||
| 465 | R | 27.2 | Very low | 29.4 | Very low | 234.5 Ų | 234.5 | 152.7 Ų | 152.7 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -34.1 | 155.1 | 169.4 | -71.3 | 176.7 | 167 | -179.3 | -4.4 | 115 | ||||
| 466 | E | 29.3 | Very low | 29.2 | Very low | 169.5 Ų | 169.5 | 152 Ų | 152 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | 147.2 | 141.7 | 108 | -63.7 | -173.3 | -176.4 | 0 | 0 | 114.8 | |||||
| 467 | N | 30.9 | Very low | 29.4 | Very low | 135.5 Ų | 135.5 | 151 Ų | 151 | 73% | 0.725 | 82% | 0.817 | S | S | * | * | 143.9 | 125.1 | 66.4 | -78.9 | -24.3 | 0 | 0 | 0 | 116.3 | |||||
| 468 | F | 26 | Very low | 29.4 | Very low | 185 Ų | 185 | 157.1 Ų | 157.1 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -33.4 | 137.3 | 159.2 | -70.2 | -91.4 | 0 | 0 | 0 | 117.7 | ||||
| 469 | N | 31.5 | Very low | 29.2 | Very low | 170 Ų | 170 | 156.1 Ų | 156.1 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | -161.8 | 122.4 | 124.6 | -93.7 | -26.2 | 0 | 0 | 0 | 110.5 | |||||
| 470 | E | 27.2 | Very low | 29.2 | Very low | 193 Ų | 193 | 154.7 Ų | 154.7 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -95.4 | 143.1 | 171.8 | -76.3 | -178.6 | 126.5 | 0 | 0 | 110.7 | ||||
| 471 | G | 30.5 | Very low | 29.2 | Very low | 79 Ų | 79 | 148.7 Ų | 148.7 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -146.6 | 107.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 472 | H | 29.3 | Very low | 29.3 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -59.4 | 122.5 | 172.7 | -142.4 | 66.2 | 0 | 0 | 0 | 118.6 | ||||
| 473 | L | 27.7 | Very low | 29.3 | Very low | 168 Ų | 168 | 157.3 Ų | 157.3 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | -106.9 | 131.9 | 165.6 | -71.6 | 164.5 | 0 | 0 | 0 | 109.3 | ||||
| 474 | A | 32.1 | Very low | 29.2 | Very low | 79 Ų | 79 | 158.7 Ų | 158.7 | 65% | 0.653 | 82% | 0.817 | S | S | * | * | 133.5 | 118.6 | 112 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 475 | T | 32.3 | Very low | 29.1 | Very low | 119.5 Ų | 119.5 | 157.4 Ų | 157.4 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | 135.8 | 136.8 | 62.3 | -13.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 476 | E | 28.5 | Very low | 29.1 | Very low | 175.5 Ų | 175.5 | 152.2 Ų | 152.2 | 82% | 0.82 | 82% | 0.815 | S | S | * | * | trans | 51.2 | 121.4 | 150.7 | -68.3 | 173.1 | -167.7 | 0 | 0 | 119.7 | ||||
| 477 | S | 29.7 | Very low | 29 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | -169.8 | 130.3 | 61.1 | -85.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 478 | H | 28.8 | Very low | 29 | Very low | 193.5 Ų | 193.5 | 148 Ų | 148 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -113.3 | 132.9 | 163.2 | -87 | 25.8 | 0 | 0 | 0 | 111.3 | ||||
| 479 | T | 28.8 | Very low | 29.1 | Very low | 137.5 Ų | 137.5 | 146.6 Ų | 146.6 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | trans | -139 | 125.7 | 161.5 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 480 | I | 27.2 | Very low | 29.2 | Very low | 130 Ų | 130 | 145.6 Ų | 145.6 | 67% | 0.667 | 81% | 0.809 | S | S | * | * | trans | -97.6 | 130.2 | 163.4 | -63.2 | 172.1 | 0 | 0 | 0 | 108.7 | R482 | I480-R482 PolarHBondContact O-N 3.01Š| ||
| 481 | S | 30.3 | Very low | 29.5 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -119.2 | 114.8 | 170.4 | -71.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 482 | R | 27.3 | Very low | 29.6 | Very low | 236.5 Ų | 236.5 | 144.4 Ų | 144.4 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | trans | -63.1 | 129.3 | 161.2 | -84.8 | 175.7 | 158.4 | 147.7 | -6.6 | 109.4 | I480 | I480-R482 PolarHBondContact O-N 3.01Š| ||
| 483 | H | 29.1 | Very low | 29.7 | Very low | 180.5 Ų | 180.5 | 140.9 Ų | 140.9 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -127.9 | 113.3 | 157.5 | -134.1 | -67.7 | 0 | 0 | 0 | 109.5 | ||||
| 484 | N | 26.7 | Very low | 30 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -68.5 | 139.1 | 177.9 | -67.2 | -26.6 | 0 | 0 | 0 | 111 | ||||
| 485 | L | 30.6 | Very low | 30.2 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -149.9 | 118.8 | 157.3 | -94.3 | 139.8 | 0 | 0 | 0 | 109 | ||||
| 486 | S | 27.8 | Very low | 30.4 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -19.4 | 128.7 | 164.8 | -165.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 487 | G | 27.5 | Very low | 30.5 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | 127.7 | 104.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 488 | N | 29.4 | Very low | 30.7 | Very low | 150.5 Ų | 150.5 | 138.5 Ų | 138.5 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -125.1 | 143.2 | 159.5 | -80.7 | 7.2 | 0 | 0 | 0 | 112.9 | N490 | N488-N490 PolarHBondContact O-N 3.26Š| ||
| 489 | N | 29.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -2.2 | 75.9 | 161.6 | -65.4 | 3.9 | 0 | 0 | 0 | 113.7 | ||
| 490 | N | 33.7 | Very low | 31.2 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -145.2 | 103.2 | 159.5 | -91.4 | -47.1 | 0 | 0 | 0 | 108.9 | N488 G492 | N488-N490 PolarHBondContact O-N 3.26Å; N490-G492 WeakPolarHBondContact O-CA 3.46Å; N490-G492 PolarHBondContact O-N 3.11Å | ||
| 491 | I | 34.3 | Very low | 31.5 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 94% | 0.944 | 78% | 0.78 | S | S | * | * | trans | -73.2 | 96.1 | 164 | -58.4 | 173.8 | 0 | 0 | 0 | 106.5 | ||||
| 492 | G | 31.3 | Very low | 31.7 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | -152.3 | 97.4 | 87.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | N490 G494 | N490-G492 WeakPolarHBondContact O-CA 3.46Å; N490-G492 PolarHBondContact O-N 3.11Å; G492-G494 PolarHBondContact O-N 3.25Å | |||
| 493 | S | 31.5 | Very low | 32 | Very low | 112.5 Ų | 112.5 | 128.9 Ų | 128.9 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | -8.8 | 84.4 | 175.2 | -160 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 494 | G | 34.4 | Very low | 32.2 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -93 | 100.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G492 | G492-G494 PolarHBondContact O-N 3.25Š| ||
| 495 | L | 35.8 | Very low | 32.6 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | -70.1 | 128 | 171.8 | -89.2 | 87.8 | 0 | 0 | 0 | 110.5 | V497 | L495-V497 HydrophobicContact CB-CG2 4.36Š| ||
| 496 | I | 35.9 | Very low | 32.8 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -88.7 | 118.6 | 162.1 | -58.5 | 176.7 | 0 | 0 | 0 | 107.6 | ||||
| 497 | V | 31.4 | Very low | 33 | Very low | 99.5 Ų | 99.5 | 120.9 Ų | 120.9 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | trans | -112.1 | 112.4 | 176.8 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | L495 | L495-V497 HydrophobicContact CB-CG2 4.36Š| ||
| 498 | N | 34.2 | Very low | 33.5 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -92.8 | 125.8 | 171.2 | -162.8 | -0.4 | 0 | 0 | 0 | 108.9 | ||||
| 499 | S | 33.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -124.4 | 58.1 | -172.2 | 59.4 | 0 | 0 | 0 | 0 | 113 | G501 | S499-G501 PolarHBondContact O-N 3.01Š| ||
| 500 | N | 33.9 | Very low | 33.5 | Very low | 155.5 Ų | 155.5 | 127.4 Ų | 127.4 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -101.7 | 95.5 | 167.9 | -71 | -12.5 | 0 | 0 | 0 | 109.6 | ||||
| 501 | G | 33.4 | Very low | 33.4 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | -152.3 | 106.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S499 | S499-G501 PolarHBondContact O-N 3.01Š| ||
| 502 | D | 34.6 | Very low | 33.2 | Very low | 163.5 Ų | 163.5 | 128.2 Ų | 128.2 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -75.8 | 153.9 | 176.8 | -154.8 | 0.9 | 0 | 0 | 0 | 111.6 | T504 | D502-T504 PolarHBondContact O-N 3.41Š| ||
| 503 | V | 33.5 | Very low | 33.1 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -80.7 | 121.5 | -156 | -179.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 504 | T | 34.6 | Very low | 33.6 | Very low | 126.5 Ų | 126.5 | 134.3 Ų | 134.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -131.4 | 128.1 | 155.9 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | D502 S506 | D502-T504 PolarHBondContact O-N 3.41Å; T504-S506 PolarHBondContact O-N 3.03Å; T504-S506 VanDerWaalsContact O-N 3.12Å | ||
| 505 | P | 35 | Very low | 34 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -92.3 | 68.3 | -167.1 | 36.1 | -35.4 | 0 | 0 | 0 | 113 | ||
| 506 | S | 33.8 | Very low | 35 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -179.4 | 87.1 | 162.6 | 166.7 | 0 | 0 | 0 | 0 | 111 | T504 | T504-S506 PolarHBondContact O-N 3.03Å; T504-S506 VanDerWaalsContact O-N 3.12Å |
| 507 | G | 32.8 | Very low | 36.4 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | -176.4 | 136.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R509 | G507-R509 PolarHBondContact O-N 3.21Š| ||
| 508 | K | 36.7 | Very low | 38.3 | Very low | 213.5 Ų | 213.5 | 130.5 Ų | 130.5 | 93% | 0.928 | 74% | 0.742 | S | S | * | * | trans | -60.3 | 127.3 | 177 | -68.3 | 171.3 | 176.3 | 175.3 | 0 | 110.4 | G510 | K508-G510 PolarHBondContact O-N 3.05Š| ||
| 509 | R | 30.8 | Very low | 40.1 | Very low | 219 Ų | 219 | 127.4 Ų | 127.4 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | -63.7 | 108 | 168.8 | -68.4 | -174.2 | -175.8 | -172.2 | 1.4 | 109.1 | G507 F511 | G507-R509 PolarHBondContact O-N 3.21Å; R509-F511 HydrophobicContact CB-CE2 4.32Å; R509-F511 HydrophobicContact CB-CZ 4.32Å | ||
| 510 | G | 29.5 | Very low | 42.1 | Very low | 76.5 Ų | 76.5 | 124.4 Ų | 124.4 | 79% | 0.789 | 70% | 0.704 | S | S | * | * | trans | -83.7 | 120.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K508 | K508-G510 PolarHBondContact O-N 3.05Š| ||
| 511 | F | 29.9 | Very low | 44.1 | Very low | 179.5 Ų | 179.5 | 123.5 Ų | 123.5 | 79% | 0.787 | 69% | 0.688 | S | S | * | * | trans | -90.7 | 124 | 171.6 | -51.7 | -89.6 | 0 | 0 | 0 | 108 | R509 | R509-F511 HydrophobicContact CB-CE2 4.32Å; R509-F511 HydrophobicContact CB-CZ 4.32Å | ||
| 512 | Q | 31.3 | Very low | 46.2 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -107.2 | 102.9 | 176.2 | -150.2 | 169.4 | 8.8 | 0 | 0 | 108.7 | ||||
| 513 | M | 29.3 | Very low | 48.5 | Very low | 183 Ų | 183 | 114.7 Ų | 114.7 | 90% | 0.901 | 63% | 0.631 | S | S | * | * | trans | -78 | 130.1 | 171.6 | -68.2 | -171.4 | -63.3 | 0 | 0 | 109.2 | ||||
| 514 | I | 41.4 | Very low | 50.9 | Low | 117 Ų | 117 | 110 Ų | 110 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | trans | -107.2 | 102.1 | 174 | -54.5 | 174.3 | 0 | 0 | 0 | 107.3 | L516 | I514-L516 HydrophobicContact CG2-CD1 3.87Å; I514-L516 HydrophobicContact CG2-CG 4.12Å; I514-L516 PolarHBondContact O-N 3.05Å; I514-L516 VanDerWaalsContact O-N 3.15Å | ||
| 515 | D | 42.8 | Very low | 53.2 | Low | 144 Ų | 144 | 107.6 Ų | 107.6 | 77% | 0.77 | 59% | 0.59 | S | S | * | * | trans | -83.1 | 88.1 | 175.5 | -161.4 | 5.7 | 0 | 0 | 0 | 109.7 | R521 | D515-R521 IonicContact OD1-NH2 3.32Å; D515-R521 PolarHBondContact OD1-NH2 2.98Å | ||
| 516 | L | 57.5 | Low | 55.7 | Low | 44.5 Ų | 44.5 | 103.2 Ų | 103.2 | 23% | 0.233 | 56% | 0.557 | C | S | . | * | trans | -70.9 | 130.4 | 171.7 | -76.8 | 145.5 | 0 | 0 | 0 | 109.3 | I514 K520 R521 L524 | I514-L516 HydrophobicContact CG2-CD1 3.87Å; I514-L516 HydrophobicContact CG2-CG 4.12Å; I514-L516 PolarHBondContact O-N 3.05Å; I514-L516 VanDerWaalsContact O-N 3.15Å; L516-K520 HydrophobicContact CD2-CB 4.14Å; L516-K520 HydrophobicContact CD2-CD 4.07Å; L516-R521 HydrophobicContact CB-CG 3.72Å; L516-R521 PolarHBondContact O-NE 2.87Å; L516-R521 PolarHBondContact O-NH2 3.47Å; L516-R521 VanDerWaalsContact O-NH2 3.17Å; L516-L524 HydrophobicContact CD1-CD1 4.03Å; L516-L524 HydrophobicContact CD2-CD1 4.23Å | ||
| 517 | G | 65.5 | Low | 58.1 | Low | 40 Ų | 40 | 97.7 Ų | 97.7 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | trans | -55.7 | 147.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P519 K520 R521 | G517-P519 VanDerWaalsContact C-CD 3.45Å; G517-K520 WeakPolarHBondContact O-CA 3.16Å; G517-K520 WeakPolarHBondContact O-CB 3.46Å; G517-K520 PolarHBondContact O-N 3.12Å; G517-R521 PolarHBondContact O-N 3.09Å | ||
| 518 | Q | 70.6 | Confident | 60.6 | Low | 154 Ų | 154 | 97.6 Ų | 97.6 | 72% | 0.72 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -46.6 | -46.3 | -178.3 | -173.6 | 174.5 | -3.6 | 0 | 0 | 114.8 | K520 R521 A522 | Q518-K520 PolarHBondContact O-N 3.49Å; Q518-R521 PolarHBondContact O-N 2.74Å; Q518-A522 PolarHBondContact O-N 3.1Å |
| 519 | P | 72.8 | Confident | 63 | Low | 74.5 Ų | 74.5 | 92 Ų | 92 | 48% | 0.484 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67 | -34.7 | 178.1 | 25 | -34.4 | 0 | 0 | 0 | 113.2 | G517 R521 A522 L523 Y612 | G517-P519 VanDerWaalsContact C-CD 3.45Å; P519-R521 VanDerWaalsContact C-N 3.34Å; P519-A522 PolarHBondContact O-N 2.96Å; P519-L523 WeakPolarHBondContact O-CB 3.33Å; P519-L523 PolarHBondContact O-N 3.08Å; P519-Y612 HydrophobicContact CB-CG 4.45Å |
| 520 | K | 74.8 | Confident | 65.7 | Low | 38 Ų | 38 | 81.6 Ų | 81.6 | 17% | 0.165 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 172.9 | -66.1 | -160.3 | -179.4 | -150.7 | 0 | 110.8 | L516 G517 Q518 L523 L524 Y612 V677 D680 | L516-K520 HydrophobicContact CD2-CB 4.14Å; L516-K520 HydrophobicContact CD2-CD 4.07Å; G517-K520 WeakPolarHBondContact O-CA 3.16Å; G517-K520 WeakPolarHBondContact O-CB 3.46Å; G517-K520 PolarHBondContact O-N 3.12Å; Q518-K520 PolarHBondContact O-N 3.49Å; K520-L523 PolarHBondContact O-N 3.13Å; K520-L524 WeakPolarHBondContact O-CB 3.47Å; K520-L524 WeakPolarHBondContact O-CD1 3.48Å; K520-L524 VanDerWaalsContact O-CG 3.26Å; K520-L524 WeakPolarHBondContact O-CG 3.43Å; K520-L524 PolarHBondContact O-N 3.14Å; K520-Y612 HydrophobicContact CD-CE1 4.18Å; K520-Y612 WeakPolarHBondContact CE-OH 3.36Å; K520-Y612 HydrophobicContact CG-CD1 4.1Å; K520-Y612 HydrophobicContact CG-CE1 3.75Å; K520-Y612 HydrophobicContact CG-CE2 4.28Å; K520-Y612 HydrophobicContact CG-CG 4.46Å; K520-Y612 PolarHBondContact NZ-OH 3.2Å; K520-V677 HydrophobicContact CB-CG1 4.45Å; K520-V677 HydrophobicContact CD-CG1 4.3Å; K520-V677 HydrophobicContact CG-CG1 4.31Å; K520-V677 PolarHBondContact NZ-O 2.92Å; K520-D680 IonicContact NZ-OD2 2.74Å; K520-D680 PolarHBondContact NZ-OD2 2.88Å |
| 521 | R | 76.2 | Confident | 68.5 | Low | 135 Ų | 135 | 79.2 Ų | 79.2 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 177 | -79.1 | -170.9 | -92.5 | 144.9 | -12.7 | 112.7 | D515 L516 G517 Q518 P519 L524 S525 | D515-R521 IonicContact OD1-NH2 3.32Å; D515-R521 PolarHBondContact OD1-NH2 2.98Å; L516-R521 HydrophobicContact CB-CG 3.72Å; L516-R521 PolarHBondContact O-NE 2.87Å; L516-R521 PolarHBondContact O-NH2 3.47Å; L516-R521 VanDerWaalsContact O-NH2 3.17Å; G517-R521 PolarHBondContact O-N 3.09Å; Q518-R521 PolarHBondContact O-N 2.74Å; P519-R521 VanDerWaalsContact C-N 3.34Å; R521-L524 PolarHBondContact O-N 2.85Å; R521-S525 WeakPolarHBondContact O-CB 3.32Å; R521-S525 PolarHBondContact O-N 2.98Å |
| 522 | A | 77.6 | Confident | 71.4 | Confident | 50 Ų | 50 | 77.8 Ų | 77.8 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q518 P519 L524 S525 R526 | Q518-A522 PolarHBondContact O-N 3.1Å; P519-A522 PolarHBondContact O-N 2.96Å; A522-L524 PolarHBondContact O-N 2.83Å; A522-S525 CarbonylContact O-C 3.58Å; A522-S525 WeakPolarHBondContact O-CA 3.48Å; A522-S525 WeakPolarHBondContact O-CB 3.05Å; A522-S525 PolarHBondContact O-N 3.04Å; A522-S525 VanDerWaalsContact O-N 3.08Å; A522-R526 PolarHBondContact O-N 3.35Å |
| 523 | L | 82.3 | Confident | 74 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 177.6 | 179.5 | 63 | 0 | 0 | 0 | 112.7 | P519 K520 S525 R526 I527 Y612 M615 D616 M619 V677 | P519-L523 WeakPolarHBondContact O-CB 3.33Å; P519-L523 PolarHBondContact O-N 3.08Å; K520-L523 PolarHBondContact O-N 3.13Å; L523-S525 VanDerWaalsContact C-N 3.33Å; L523-S525 PolarHBondContact O-N 2.99Å; L523-R526 WeakPolarHBondContact O-CB 3.3Å; L523-R526 PolarHBondContact O-N 3.33Å; L523-I527 HydrophobicContact CD1-CD1 4.25Å; L523-I527 HydrophobicContact CD1-CG1 4.39Å; L523-I527 HydrophobicContact CG-CD1 4.02Å; L523-I527 HydrophobicContact CG-CG1 4.5Å; L523-I527 VanDerWaalsContact O-CG1 3.29Å; L523-I527 WeakPolarHBondContact O-CG1 3.25Å; L523-I527 PolarHBondContact O-N 3.04Å; L523-Y612 HydrophobicContact CD2-CD1 3.92Å; L523-M615 HydrophobicContact CD1-CB 4.15Å; L523-M615 HydrophobicContact CD2-CB 4.01Å; L523-M615 HydrophobicContact CD2-CE 4.18Å; L523-M615 HydrophobicContact CD2-SD 4.3Å; L523-D616 HydrophobicContact CD1-CB 4.15Å; L523-M619 HydrophobicContact CD1-CB 4.4Å; L523-V677 HydrophobicContact CD2-CG2 3.86Å |
| 524 | L | 83.1 | Confident | 76.8 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 176.5 | -68.5 | 169 | 0 | 0 | 0 | 111.7 | L516 K520 R521 A522 R526 I527 D528 F674 V677 | L516-L524 HydrophobicContact CD1-CD1 4.03Å; L516-L524 HydrophobicContact CD2-CD1 4.23Å; K520-L524 WeakPolarHBondContact O-CB 3.47Å; K520-L524 WeakPolarHBondContact O-CD1 3.48Å; K520-L524 VanDerWaalsContact O-CG 3.26Å; K520-L524 WeakPolarHBondContact O-CG 3.43Å; K520-L524 PolarHBondContact O-N 3.14Å; R521-L524 PolarHBondContact O-N 2.85Å; A522-L524 PolarHBondContact O-N 2.83Å; L524-R526 VanDerWaalsContact C-N 3.33Å; L524-I527 PolarHBondContact O-N 3.21Å; L524-D528 WeakPolarHBondContact O-CB 3.07Å; L524-D528 PolarHBondContact O-N 3.08Å; L524-F674 HydrophobicContact CD2-CD2 3.42Å; L524-F674 VanDerWaalsContact CD2-CD2 3.47Å; L524-F674 HydrophobicContact CD2-CE2 3.48Å; L524-F674 HydrophobicContact CD2-CG 4.14Å; L524-F674 HydrophobicContact CD2-CZ 4.21Å; L524-F674 HydrophobicContact CG-CE2 4.46Å; L524-V677 HydrophobicContact CD2-CG1 4.26Å; L524-V677 HydrophobicContact CG-CG1 4.33Å |
| 525 | S | 84.2 | Confident | 79.1 | Confident | 74.5 Ų | 74.5 | 60.8 Ų | 60.8 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.1 | -35 | 172.9 | -168.4 | 0 | 0 | 0 | 0 | 112.2 | R521 A522 L523 Y529 | R521-S525 WeakPolarHBondContact O-CB 3.32Å; R521-S525 PolarHBondContact O-N 2.98Å; A522-S525 CarbonylContact O-C 3.58Å; A522-S525 WeakPolarHBondContact O-CA 3.48Å; A522-S525 WeakPolarHBondContact O-CB 3.05Å; A522-S525 PolarHBondContact O-N 3.04Å; A522-S525 VanDerWaalsContact O-N 3.08Å; L523-S525 VanDerWaalsContact C-N 3.33Å; L523-S525 PolarHBondContact O-N 2.99Å; S525-Y529 WeakPolarHBondContact O-CB 3.41Å; S525-Y529 PolarHBondContact O-N 2.87Å |
| 526 | R | 86.6 | Confident | 81.2 | Confident | 36.5 Ų | 36.5 | 55.2 Ų | 55.2 | 14% | 0.138 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | 174.2 | -175.8 | 66.5 | 62.4 | -166.2 | -0 | 111.8 | A522 L523 L524 D528 Y529 G530 D616 M619 T620 D1148 | A522-R526 PolarHBondContact O-N 3.35Å; L523-R526 WeakPolarHBondContact O-CB 3.3Å; L523-R526 PolarHBondContact O-N 3.33Å; L524-R526 VanDerWaalsContact C-N 3.33Å; R526-D528 VanDerWaalsContact C-N 3.32Å; R526-D528 PolarHBondContact O-N 3.08Å; R526-Y529 PolarHBondContact O-N 3.06Å; R526-G530 PolarHBondContact O-N 3.04Å; R526-D616 WeakPolarHBondContact CB-OD1 3.4Å; R526-D616 VanDerWaalsContact CG-OD1 3.31Å; R526-D616 WeakPolarHBondContact CG-OD1 3.25Å; R526-D616 IonicContact CZ-OD1 3.87Å; R526-D616 IonicContact CZ-OD2 2.83Å; R526-D616 IonicContact NE-OD1 3.43Å; R526-D616 PolarHBondContact NE-OD1 3.05Å; R526-D616 IonicContact NE-OD2 2.62Å; R526-D616 IonicContact NH2-OD1 2.72Å; R526-D616 PolarHBondContact NH2-OD1 3.2Å; R526-D616 IonicContact NH2-OD2 2.73Å; R526-D616 PolarHBondContact NH2-OD2 2.79Å; R526-D616 VanDerWaalsContact NH2-OD2 3.09Å; R526-M619 HydrophobicContact CG-CB 4.09Å; R526-M619 HydrophobicContact CG-CG 3.92Å; R526-T620 VanDerWaalsContact CD-OG1 3.26Å; R526-T620 WeakPolarHBondContact CD-OG1 3.4Å; R526-T620 PolarHBondContact NE-OG1 3.07Å; R526-D1148 IonicContact CZ-OD1 3.73Å; R526-D1148 IonicContact CZ-OD2 3.01Å; R526-D1148 IonicContact NH1-OD1 3.22Å; R526-D1148 IonicContact NH1-OD2 2.83Å; R526-D1148 PolarHBondContact NH1-OD2 3.5Å; R526-D1148 IonicContact NH2-OD1 3.35Å; R526-D1148 PolarHBondContact NH2-OD1 3.08Å; R526-D1148 IonicContact NH2-OD2 2.96Å; R526-D1148 PolarHBondContact NH2-OD2 3.16Å |
| 527 | I | 84.8 | Confident | 82.6 | Confident | 4.5 Ų | 4.5 | 53.3 Ų | 53.3 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.6 | -69.1 | 165.1 | 0 | 0 | 0 | 109.9 | L523 L524 Y529 G530 V531 M619 M670 T673 F674 | L523-I527 HydrophobicContact CD1-CD1 4.25Å; L523-I527 HydrophobicContact CD1-CG1 4.39Å; L523-I527 HydrophobicContact CG-CD1 4.02Å; L523-I527 HydrophobicContact CG-CG1 4.5Å; L523-I527 VanDerWaalsContact O-CG1 3.29Å; L523-I527 WeakPolarHBondContact O-CG1 3.25Å; L523-I527 PolarHBondContact O-N 3.04Å; L524-I527 PolarHBondContact O-N 3.21Å; I527-Y529 PolarHBondContact O-N 3.01Å; I527-G530 PolarHBondContact O-N 3.3Å; I527-V531 HydrophobicContact CG2-CG2 4.3Å; I527-V531 WeakPolarHBondContact O-CB 3.3Å; I527-V531 VanDerWaalsContact O-CG2 3.24Å; I527-V531 WeakPolarHBondContact O-CG2 3.41Å; I527-V531 PolarHBondContact O-N 3.36Å; I527-M619 HydrophobicContact CD1-CE 4.42Å; I527-M619 HydrophobicContact CG1-CE 4.03Å; I527-M619 HydrophobicContact CG1-CG 3.87Å; I527-M619 HydrophobicContact CG1-SD 4.13Å; I527-M670 HydrophobicContact CG2-CB 4.2Å; I527-T673 HydrophobicContact CD1-CG2 4.2Å; I527-F674 HydrophobicContact CD1-CB 4.43Å; I527-F674 HydrophobicContact CG2-CB 4.31Å; I527-F674 HydrophobicContact CG2-CD2 4.21Å |
| 528 | D | 86.1 | Confident | 83.6 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.6 | -177.2 | 49.1 | 0 | 0 | 0 | 112.4 | L524 R526 R532 | L524-D528 WeakPolarHBondContact O-CB 3.07Å; L524-D528 PolarHBondContact O-N 3.08Å; R526-D528 VanDerWaalsContact C-N 3.32Å; R526-D528 PolarHBondContact O-N 3.08Å; D528-R532 VanDerWaalsContact CG-NH1 3.34Å; D528-R532 VanDerWaalsContact CG-NH2 3.28Å; D528-R532 WeakPolarHBondContact O-CG 3.41Å; D528-R532 PolarHBondContact O-N 3.07Å; D528-R532 VanDerWaalsContact O-N 3.09Å; D528-R532 IonicContact OD1-CZ 2.7Å; D528-R532 VanDerWaalsContact OD1-CZ 3.32Å; D528-R532 IonicContact OD1-NE 3.81Å; D528-R532 PolarHBondContact OD1-NE 2.84Å; D528-R532 IonicContact OD1-NH1 2.89Å; D528-R532 IonicContact OD1-NH2 3.34Å; D528-R532 PolarHBondContact OD1-NH2 3.11Å; D528-R532 VanDerWaalsContact OD1-NH2 3.15Å; D528-R532 IonicContact OD2-CZ 3.29Å; D528-R532 IonicContact OD2-NE 3.51Å; D528-R532 IonicContact OD2-NH1 2.75Å; D528-R532 PolarHBondContact OD2-NH1 3.02Å; D528-R532 IonicContact OD2-NH2 3.07Å; D528-R532 PolarHBondContact OD2-NH2 2.85Å |
| 529 | Y | 86.9 | Confident | 84.3 | Confident | 96 Ų | 96 | 52 Ų | 52 | 38% | 0.376 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 173 | 179.4 | -95.5 | 0 | 0 | 0 | 112.5 | S525 R526 I527 R532 T533 R1077 | S525-Y529 WeakPolarHBondContact O-CB 3.41Å; S525-Y529 PolarHBondContact O-N 2.87Å; R526-Y529 PolarHBondContact O-N 3.06Å; I527-Y529 PolarHBondContact O-N 3.01Å; Y529-R532 PolarHBondContact O-N 3.16Å; Y529-T533 WeakPolarHBondContact CE1-OG1 3.41Å; Y529-T533 WeakPolarHBondContact O-CB 3.4Å; Y529-T533 PolarHBondContact O-N 3.06Å; Y529-T533 PolarHBondContact O-OG1 3.29Å; Y529-R1077 PolarHBondContact OH-NH2 3.46Å; Y529-R1077 VanDerWaalsContact OH-NH2 3.09Å |
| 530 | G | 86.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -48.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R526 I527 R532 T533 I534 | R526-G530 PolarHBondContact O-N 3.04Å; I527-G530 PolarHBondContact O-N 3.3Å; G530-R532 VanDerWaalsContact C-N 3.34Å; G530-R532 PolarHBondContact O-N 3.04Å; G530-T533 PolarHBondContact O-N 3.17Å; G530-T533 VanDerWaalsContact O-N 3.11Å; G530-I534 WeakPolarHBondContact O-CG1 3.31Å; G530-I534 PolarHBondContact O-N 3Å |
| 531 | V | 88.9 | Confident | 85.3 | Confident | 24.5 Ų | 24.5 | 49.1 Ų | 49.1 | 15% | 0.148 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.3 | -48.4 | 176 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | I527 T533 I534 Q535 L667 M670 | I527-V531 HydrophobicContact CG2-CG2 4.3Å; I527-V531 WeakPolarHBondContact O-CB 3.3Å; I527-V531 VanDerWaalsContact O-CG2 3.24Å; I527-V531 WeakPolarHBondContact O-CG2 3.41Å; I527-V531 PolarHBondContact O-N 3.36Å; V531-T533 VanDerWaalsContact C-N 3.34Å; V531-T533 PolarHBondContact O-N 3.24Å; V531-I534 PolarHBondContact O-N 3.11Å; V531-Q535 WeakPolarHBondContact O-CB 3.42Å; V531-Q535 VanDerWaalsContact O-CG 3.29Å; V531-Q535 WeakPolarHBondContact O-CG 3.3Å; V531-Q535 PolarHBondContact O-N 3.08Å; V531-L667 HydrophobicContact CB-CD2 4.29Å; V531-L667 HydrophobicContact CG1-CD2 4.04Å; V531-L667 HydrophobicContact CG2-CD2 4.2Å; V531-M670 HydrophobicContact CB-CE 4.31Å; V531-M670 HydrophobicContact CG2-CB 4.18Å; V531-M670 HydrophobicContact CG2-CE 3.7Å; V531-M670 HydrophobicContact CG2-SD 4.26Å |
| 532 | R | 89.5 | Confident | 85.4 | Confident | 151 Ų | 151 | 47.6 Ų | 47.6 | 57% | 0.57 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | 176.7 | -69.9 | -178 | -167.9 | 135.1 | 11.2 | 112.8 | D528 Y529 G530 Q535 G536 | D528-R532 VanDerWaalsContact CG-NH1 3.34Å; D528-R532 VanDerWaalsContact CG-NH2 3.28Å; D528-R532 WeakPolarHBondContact O-CG 3.41Å; D528-R532 PolarHBondContact O-N 3.07Å; D528-R532 VanDerWaalsContact O-N 3.09Å; D528-R532 IonicContact OD1-CZ 2.7Å; D528-R532 VanDerWaalsContact OD1-CZ 3.32Å; D528-R532 IonicContact OD1-NE 3.81Å; D528-R532 PolarHBondContact OD1-NE 2.84Å; D528-R532 IonicContact OD1-NH1 2.89Å; D528-R532 IonicContact OD1-NH2 3.34Å; D528-R532 PolarHBondContact OD1-NH2 3.11Å; D528-R532 VanDerWaalsContact OD1-NH2 3.15Å; D528-R532 IonicContact OD2-CZ 3.29Å; D528-R532 IonicContact OD2-NE 3.51Å; D528-R532 IonicContact OD2-NH1 2.75Å; D528-R532 PolarHBondContact OD2-NH1 3.02Å; D528-R532 IonicContact OD2-NH2 3.07Å; D528-R532 PolarHBondContact OD2-NH2 2.85Å; Y529-R532 PolarHBondContact O-N 3.16Å; G530-R532 VanDerWaalsContact C-N 3.34Å; G530-R532 PolarHBondContact O-N 3.04Å; R532-Q535 PolarHBondContact O-N 3.08Å; R532-G536 PolarHBondContact O-N 3.2Å |
| 533 | T | 87.4 | Confident | 85.6 | Confident | 30.5 Ų | 30.5 | 50.5 Ų | 50.5 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 179.7 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | Y529 G530 V531 A537 G623 | Y529-T533 WeakPolarHBondContact CE1-OG1 3.41Å; Y529-T533 WeakPolarHBondContact O-CB 3.4Å; Y529-T533 PolarHBondContact O-N 3.06Å; Y529-T533 PolarHBondContact O-OG1 3.29Å; G530-T533 PolarHBondContact O-N 3.17Å; G530-T533 VanDerWaalsContact O-N 3.11Å; V531-T533 VanDerWaalsContact C-N 3.34Å; V531-T533 PolarHBondContact O-N 3.24Å; T533-A537 VanDerWaalsContact O-CB 3.31Å; T533-A537 WeakPolarHBondContact O-CB 3.29Å; T533-A537 PolarHBondContact O-N 3.16Å; T533-G623 WeakPolarHBondContact CG2-O 3.42Å |
| 534 | I | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 174.4 | -61.4 | -165.8 | 0 | 0 | 0 | 110.6 | G530 V531 G536 A537 C538 V626 F666 L667 M670 | G530-I534 WeakPolarHBondContact O-CG1 3.31Å; G530-I534 PolarHBondContact O-N 3Å; V531-I534 PolarHBondContact O-N 3.11Å; I534-G536 PolarHBondContact O-N 3.12Å; I534-A537 PolarHBondContact O-N 2.97Å; I534-C538 PolarHBondContact O-N 3.23Å; I534-C538 PolarHBondContact O-SG 3.18Å; I534-V626 HydrophobicContact CB-CG1 4.27Å; I534-V626 HydrophobicContact CD1-CB 4.3Å; I534-V626 HydrophobicContact CD1-CG1 4.18Å; I534-V626 HydrophobicContact CD1-CG2 3.73Å; I534-V626 HydrophobicContact CG1-CB 4.02Å; I534-V626 HydrophobicContact CG1-CG1 3.78Å; I534-V626 HydrophobicContact CG1-CG2 4Å; I534-V626 HydrophobicContact CG2-CG1 4.12Å; I534-F666 HydrophobicContact CD1-CB 3.76Å; I534-L667 HydrophobicContact CB-CD2 4.04Å; I534-L667 HydrophobicContact CB-CG 4.48Å; I534-L667 HydrophobicContact CG2-CD1 4.3Å; I534-L667 HydrophobicContact CG2-CD2 4.04Å; I534-L667 HydrophobicContact CG2-CG 3.95Å; I534-M670 HydrophobicContact CB-CE 4.46Å; I534-M670 HydrophobicContact CD1-CE 3.33Å; I534-M670 VanDerWaalsContact CD1-CE 3.42Å; I534-M670 HydrophobicContact CD1-SD 4.43Å; I534-M670 HydrophobicContact CG1-CE 3.93Å |
| 535 | Q | 89 | Confident | 84.7 | Confident | 83.5 Ų | 83.5 | 55.6 Ų | 55.6 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 179.2 | -73.7 | 177.4 | -45.1 | 0 | 0 | 112.1 | V531 R532 A537 C538 E539 L667 | V531-Q535 WeakPolarHBondContact O-CB 3.42Å; V531-Q535 VanDerWaalsContact O-CG 3.29Å; V531-Q535 WeakPolarHBondContact O-CG 3.3Å; V531-Q535 PolarHBondContact O-N 3.08Å; R532-Q535 PolarHBondContact O-N 3.08Å; Q535-A537 VanDerWaalsContact C-N 3.34Å; Q535-A537 PolarHBondContact O-N 3.33Å; Q535-C538 WeakPolarHBondContact O-CB 3.33Å; Q535-C538 PolarHBondContact O-N 2.83Å; Q535-C538 VanDerWaalsContact O-N 3.12Å; Q535-E539 WeakPolarHBondContact O-CG 3.38Å; Q535-E539 PolarHBondContact O-N 3.23Å; Q535-L667 HydrophobicContact CG-CD1 4.37Å; Q535-L667 HydrophobicContact CG-CD2 4.42Å |
| 536 | G | 87.5 | Confident | 84.1 | Confident | 26.5 Ų | 26.5 | 54.2 Ų | 54.2 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R532 I534 C538 E539 D540 | R532-G536 PolarHBondContact O-N 3.2Å; I534-G536 PolarHBondContact O-N 3.12Å; G536-C538 VanDerWaalsContact C-N 3.31Å; G536-C538 PolarHBondContact O-N 3.24Å; G536-E539 PolarHBondContact O-N 2.78Å; G536-D540 WeakPolarHBondContact O-CB 3.42Å; G536-D540 PolarHBondContact O-N 3.03Å |
| 537 | A | 86 | Confident | 83 | Confident | 4.5 Ų | 4.5 | 60.7 Ų | 60.7 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.3 | -31.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T533 I534 Q535 D540 I541 M630 | T533-A537 VanDerWaalsContact O-CB 3.31Å; T533-A537 WeakPolarHBondContact O-CB 3.29Å; T533-A537 PolarHBondContact O-N 3.16Å; I534-A537 PolarHBondContact O-N 2.97Å; Q535-A537 VanDerWaalsContact C-N 3.34Å; Q535-A537 PolarHBondContact O-N 3.33Å; A537-D540 PolarHBondContact O-N 3.29Å; A537-I541 PolarHBondContact O-N 3.16Å; A537-M630 HydrophobicContact CB-CB 4.17Å; A537-M630 HydrophobicContact CB-CG 3.85Å |
| 538 | C | 85.6 | Confident | 81.8 | Confident | 28.5 Ų | 28.5 | 65.1 Ų | 65.1 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 172.3 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | I534 Q535 G536 D540 I541 S663 | I534-C538 PolarHBondContact O-N 3.23Å; I534-C538 PolarHBondContact O-SG 3.18Å; Q535-C538 WeakPolarHBondContact O-CB 3.33Å; Q535-C538 PolarHBondContact O-N 2.83Å; Q535-C538 VanDerWaalsContact O-N 3.12Å; G536-C538 VanDerWaalsContact C-N 3.31Å; G536-C538 PolarHBondContact O-N 3.24Å; C538-D540 VanDerWaalsContact C-N 3.28Å; C538-D540 PolarHBondContact O-N 3.15Å; C538-I541 WeakPolarHBondContact O-CG2 3.45Å; C538-I541 PolarHBondContact O-N 3.12Å; C538-S663 WeakPolarHBondContact SG-CB 3.47Å; C538-S663 PolarHBondContact SG-OG 3.06Å; C538-S663 VanDerWaalsContact SG-OG 3.36Å |
| 539 | E | 86.5 | Confident | 80.6 | Confident | 138.5 Ų | 138.5 | 68 Ų | 68 | 65% | 0.647 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.3 | -29.8 | 174.4 | -69.4 | 171.9 | -165 | 0 | 0 | 112.1 | Q535 G536 I541 | Q535-E539 WeakPolarHBondContact O-CG 3.38Å; Q535-E539 PolarHBondContact O-N 3.23Å; G536-E539 PolarHBondContact O-N 2.78Å; E539-I541 VanDerWaalsContact C-N 3.34Å |
| 540 | D | 84.8 | Confident | 79.2 | Confident | 47.5 Ų | 47.5 | 69.8 Ų | 69.8 | 25% | 0.254 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -77.1 | -15.6 | 177.7 | -77.7 | -22.1 | 0 | 0 | 0 | 113.9 | G536 A537 C538 D542 K543 R634 | G536-D540 WeakPolarHBondContact O-CB 3.42Å; G536-D540 PolarHBondContact O-N 3.03Å; A537-D540 PolarHBondContact O-N 3.29Å; C538-D540 VanDerWaalsContact C-N 3.28Å; C538-D540 PolarHBondContact O-N 3.15Å; D540-D542 VanDerWaalsContact C-N 3.26Å; D540-D542 PolarHBondContact O-N 3.29Å; D540-D542 VanDerWaalsContact O-N 3.16Å; D540-K543 PolarHBondContact O-N 3.15Å; D540-K543 VanDerWaalsContact O-N 3.08Å; D540-K543 WeakPolarHBondContact OD1-CD 3.25Å; D540-K543 WeakPolarHBondContact OD1-CE 3.46Å; D540-K543 IonicContact OD1-NZ 2.7Å; D540-K543 PolarHBondContact OD1-NZ 3.16Å; D540-R634 WeakPolarHBondContact O-CD 3.33Å; D540-R634 PolarHBondContact O-NH1 3.02Å |
| 541 | I | 83.7 | Confident | 78 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -65.4 | -22.3 | -177.5 | -150.2 | 178 | 0 | 0 | 0 | 113.6 | A537 C538 E539 M630 V633 K656 A659 | A537-I541 PolarHBondContact O-N 3.16Å; C538-I541 WeakPolarHBondContact O-CG2 3.45Å; C538-I541 PolarHBondContact O-N 3.12Å; E539-I541 VanDerWaalsContact C-N 3.34Å; I541-M630 HydrophobicContact CD1-SD 3.91Å; I541-V633 HydrophobicContact CD1-CG1 4.39Å; I541-K656 WeakPolarHBondContact O-CE 3.48Å; I541-K656 PolarHBondContact O-NZ 2.89Å; I541-K656 VanDerWaalsContact O-NZ 3.15Å; I541-A659 HydrophobicContact CD1-CB 3.8Å |
| 542 | D | 78.5 | Confident | 76.8 | Confident | 103.5 Ų | 103.5 | 69 Ų | 69 | 55% | 0.553 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -90.7 | -9.4 | -179.9 | -74.5 | -35.8 | 0 | 0 | 0 | 113.8 | D540 K656 | D540-D542 VanDerWaalsContact C-N 3.26Å; D540-D542 PolarHBondContact O-N 3.29Å; D540-D542 VanDerWaalsContact O-N 3.16Å; D542-K656 IonicContact OD1-NZ 3.12Å; D542-K656 PolarHBondContact OD1-NZ 3.37Å |
| 543 | K | 80.3 | Confident | 75.8 | Confident | 110.5 Ų | 110.5 | 66.8 Ų | 66.8 | 48% | 0.48 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -86 | 132 | 175.9 | -60.1 | 171.4 | -168.9 | 163.8 | 0 | 109.6 | D540 R634 | D540-K543 PolarHBondContact O-N 3.15Å; D540-K543 VanDerWaalsContact O-N 3.08Å; D540-K543 WeakPolarHBondContact OD1-CD 3.25Å; D540-K543 WeakPolarHBondContact OD1-CE 3.46Å; D540-K543 IonicContact OD1-NZ 2.7Å; D540-K543 PolarHBondContact OD1-NZ 3.16Å; K543-R634 VanDerWaalsContact O-CD 3.26Å; K543-R634 WeakPolarHBondContact O-CD 3.31Å; K543-R634 PolarHBondContact O-NH1 3Å |
| 544 | P | 72.3 | Confident | 74.7 | Confident | 75.5 Ų | 75.5 | 65.5 Ų | 65.5 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | trans | -63.3 | 151.5 | 171.5 | 28.7 | -34 | 0 | 0 | 0 | 110.6 | ||||
| 545 | I | 74.3 | Confident | 73.7 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -81.1 | -43.5 | 175.1 | -70.9 | 172.9 | 0 | 0 | 0 | 110.2 | D631 R634 L635 | I545-D631 WeakPolarHBondContact CD1-O 3.1Å; I545-R634 HydrophobicContact CD1-CB 4.11Å; I545-R634 HydrophobicContact CD1-CG 4.07Å; I545-R634 HydrophobicContact CG1-CB 4.47Å; I545-R634 HydrophobicContact CG1-CG 3.96Å; I545-R634 VanDerWaalsContact CG1-CZ 3.46Å; I545-L635 HydrophobicContact CD1-CB 3.59Å; I545-L635 HydrophobicContact CD1-CD1 4.28Å; I545-L635 HydrophobicContact CD1-CG 4.42Å |
| 546 | Y | 71.9 | Confident | 72.8 | Confident | 45 Ų | 45 | 67 Ų | 67 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | trans | -105.9 | 123.1 | 172.9 | -52.5 | -75.2 | 0 | 0 | 0 | 108.7 | L552 W562 L635 Q638 P1240 | Y546-L552 HydrophobicContact CD2-CD2 4.34Å; Y546-W562 AromaticContact CE2-CH2 3.96Å; Y546-W562 HydrophobicContact CE2-CH2 4Å; Y546-W562 HydrophobicContact CE2-CZ2 4.31Å; Y546-L635 HydrophobicContact CD2-CD1 4.48Å; Y546-L635 HydrophobicContact CE2-CD1 3.7Å; Y546-Q638 PolarHBondContact O-NE2 3.32Å; Y546-P1240 HydrophobicContact CD1-CB 3.48Å; Y546-P1240 VanDerWaalsContact CD1-CB 3.48Å; Y546-P1240 HydrophobicContact CD1-CG 4.24Å; Y546-P1240 HydrophobicContact CE1-CB 3.53Å; Y546-P1240 HydrophobicContact CE1-CG 4.42Å; Y546-P1240 HydrophobicContact CG-CB 4.13Å; Y546-P1240 HydrophobicContact CG-CG 4.42Å | ||
| 547 | E | 63.7 | Low | 72.1 | Confident | 174 Ų | 174 | 70.5 Ų | 70.5 | 81% | 0.813 | 35% | 0.349 | S | S | * | . | trans | -80.5 | -21.8 | 176.5 | -63.5 | -177.9 | 172.1 | 0 | 0 | 112.2 | E549 | E547-E549 PolarHBondContact O-N 3.13Š| ||
| 548 | D | 60.4 | Low | 71.3 | Confident | 96.5 Ų | 96.5 | 71.6 Ų | 71.6 | 52% | 0.516 | 35% | 0.354 | S | S | . | . | trans | -84.2 | 98.7 | 179 | -167 | -10.6 | 0 | 0 | 0 | 110.6 | E550 A551 | D548-E550 PolarHBondContact O-N 2.77Å; D548-E550 WeakPolarHBondContact OD1-CB 3.38Å; D548-E550 PolarHBondContact OD1-N 2.91Å; D548-A551 PolarHBondContact O-N 2.86Å; D548-A551 PolarHBondContact OD1-N 3.2Å | ||
| 549 | E | 60.4 | Low | 70.7 | Confident | 131.5 Ų | 131.5 | 70.3 Ų | 70.3 | 61% | 0.614 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -65.8 | -31.2 | 177.3 | -69.7 | -170.8 | 166.7 | 0 | 0 | 112.2 | E547 A551 L552 Y553 | E547-E549 PolarHBondContact O-N 3.13Å; E549-A551 VanDerWaalsContact C-N 3.3Å; E549-A551 PolarHBondContact O-N 3.31Å; E549-L552 WeakPolarHBondContact O-CB 3.45Å; E549-L552 PolarHBondContact O-N 2.98Å; E549-Y553 HydrophobicContact CB-CD2 4.09Å; E549-Y553 HydrophobicContact CB-CE2 4.12Å; E549-Y553 HydrophobicContact CG-CE2 4.34Å; E549-Y553 VanDerWaalsContact O-CD2 3.27Å; E549-Y553 WeakPolarHBondContact O-CD2 3.38Å; E549-Y553 PolarHBondContact O-N 3Å; E549-Y553 VanDerWaalsContact O-N 3.16Å |
| 550 | E | 57.8 | Low | 70.1 | Confident | 134 Ų | 134 | 68.1 Ų | 68.1 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.8 | -36.5 | -176.2 | -66.3 | -168 | 179.9 | 0 | 0 | 112.1 | D548 L552 G554 H1237 | D548-E550 PolarHBondContact O-N 2.77Å; D548-E550 WeakPolarHBondContact OD1-CB 3.38Å; D548-E550 PolarHBondContact OD1-N 2.91Å; E550-L552 VanDerWaalsContact C-N 3.34Å; E550-L552 PolarHBondContact O-N 3.45Å; E550-G554 PolarHBondContact O-N 3.07Å; E550-H1237 IonicContact OE2-CE1 3.27Å |
| 551 | A | 60.7 | Low | 69.5 | Low | 4.5 Ų | 4.5 | 72.1 Ų | 72.1 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.5 | -17.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D548 E549 T559 P1240 | D548-A551 PolarHBondContact O-N 2.86Å; D548-A551 PolarHBondContact OD1-N 3.2Å; E549-A551 VanDerWaalsContact C-N 3.3Å; E549-A551 PolarHBondContact O-N 3.31Å; A551-T559 WeakPolarHBondContact O-CG2 3.09Å; A551-P1240 HydrophobicContact CB-CG 3.82Å |
| 552 | L | 64.4 | Low | 69.2 | Low | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -87 | -44.9 | 175.9 | -80.5 | 157 | 0 | 0 | 0 | 112.1 | Y546 E549 E550 G554 W562 R563 Q638 L639 V642 | Y546-L552 HydrophobicContact CD2-CD2 4.34Å; E549-L552 WeakPolarHBondContact O-CB 3.45Å; E549-L552 PolarHBondContact O-N 2.98Å; E550-L552 VanDerWaalsContact C-N 3.34Å; E550-L552 PolarHBondContact O-N 3.45Å; L552-G554 VanDerWaalsContact C-N 3.27Å; L552-G554 PolarHBondContact O-N 3.23Å; L552-W562 HydrophobicContact CD2-CH2 4.31Å; L552-W562 HydrophobicContact CD2-CZ3 4.32Å; L552-R563 VanDerWaalsContact O-CD 3.31Å; L552-R563 WeakPolarHBondContact O-CD 3.41Å; L552-R563 PolarHBondContact O-NE 3.2Å; L552-Q638 HydrophobicContact CD1-CG 4.08Å; L552-Q638 VanDerWaalsContact CD1-NE2 3.3Å; L552-Q638 HydrophobicContact CD2-CG 4.32Å; L552-L639 HydrophobicContact CD2-CD2 3.8Å; L552-V642 HydrophobicContact CB-CG2 4.44Å |
| 553 | Y | 67.8 | Low | 69.2 | Low | 106 Ų | 106 | 68.9 Ų | 68.9 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -78.8 | -3.1 | -177.6 | -71.8 | -76 | 0 | 0 | 0 | 113.9 | E549 D555 V642 | E549-Y553 HydrophobicContact CB-CD2 4.09Å; E549-Y553 HydrophobicContact CB-CE2 4.12Å; E549-Y553 HydrophobicContact CG-CE2 4.34Å; E549-Y553 VanDerWaalsContact O-CD2 3.27Å; E549-Y553 WeakPolarHBondContact O-CD2 3.38Å; E549-Y553 PolarHBondContact O-N 3Å; E549-Y553 VanDerWaalsContact O-N 3.16Å; Y553-D555 PolarHBondContact O-N 3.04Å; Y553-V642 HydrophobicContact CD1-CG1 3.82Å; Y553-V642 HydrophobicContact CD1-CG2 4.41Å; Y553-V642 HydrophobicContact CE1-CB 4.35Å; Y553-V642 HydrophobicContact CE1-CG1 4.03Å; Y553-V642 HydrophobicContact CE1-CG2 3.96Å; Y553-V642 HydrophobicContact CE2-CG2 4.39Å; Y553-V642 HydrophobicContact CG-CG1 4.34Å |
| 554 | G | 65.4 | Low | 68.9 | Low | 2 Ų | 2 | 66.4 Ų | 66.4 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | trans | -46.8 | 124 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E550 L552 T559 R563 | E550-G554 PolarHBondContact O-N 3.07Å; L552-G554 VanDerWaalsContact C-N 3.27Å; L552-G554 PolarHBondContact O-N 3.23Å; G554-T559 WeakPolarHBondContact O-CB 3.16Å; G554-T559 VanDerWaalsContact O-CG2 3.25Å; G554-T559 WeakPolarHBondContact O-CG2 3.31Å; G554-R563 PolarHBondContact O-NH2 3.01Å | ||
| 555 | D | 67.2 | Low | 69 | Low | 109 Ų | 109 | 65.3 Ų | 65.3 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | trans | -95.2 | -0.3 | -170.9 | -137.4 | 16.2 | 0 | 0 | 0 | 113 | Y553 K560 R563 | Y553-D555 PolarHBondContact O-N 3.04Å; D555-K560 WeakPolarHBondContact O-CD 3.16Å; D555-K560 WeakPolarHBondContact O-CE 3.23Å; D555-K560 PolarHBondContact O-NZ 3.38Å; D555-K560 WeakPolarHBondContact OD1-CE 3.22Å; D555-K560 IonicContact OD1-NZ 3.35Å; D555-K560 PolarHBondContact OD1-NZ 3.22Å; D555-K560 IonicContact OD2-NZ 3.64Å; D555-K560 PolarHBondContact OD2-NZ 3.3Å; D555-R563 IonicContact OD1-NH2 2.78Å | ||
| 556 | D | 70.2 | Confident | 69.3 | Low | 5.5 Ų | 5.5 | 63.1 Ų | 63.1 | 3% | 0.029 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -69.7 | 158.7 | 178.5 | 73.8 | -77.2 | 0 | 0 | 0 | 112.6 | N558 T559 K560 | D556-N558 VanDerWaalsContact C-N 3.3Å; D556-N558 PolarHBondContact O-N 3.38Å; D556-N558 WeakPolarHBondContact OD2-CA 3.41Å; D556-N558 WeakPolarHBondContact OD2-CB 3.33Å; D556-N558 PolarHBondContact OD2-N 3.37Å; D556-T559 PolarHBondContact O-N 2.92Å; D556-T559 WeakPolarHBondContact OD1-CB 3.42Å; D556-T559 PolarHBondContact OD1-OG1 3.25Å; D556-T559 PolarHBondContact OD2-N 3.36Å; D556-T559 VanDerWaalsContact OD2-N 3.09Å; D556-T559 PolarHBondContact OD2-OG1 3.06Å; D556-T559 VanDerWaalsContact OD2-OG1 3.1Å; D556-K560 WeakPolarHBondContact O-CB 3.28Å; D556-K560 WeakPolarHBondContact O-CG 3.26Å; D556-K560 PolarHBondContact O-N 2.97Å |
| 557 | I | 71.8 | Confident | 69.8 | Low | 101.5 Ų | 101.5 | 62.2 Ų | 62.2 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -29.6 | -174.7 | -159.6 | 164.2 | 0 | 0 | 0 | 113.1 | R561 E1230 | I557-R561 VanDerWaalsContact O-CB 3.28Å; I557-R561 WeakPolarHBondContact O-CB 3.37Å; I557-R561 PolarHBondContact O-N 3.09Å; I557-E1230 HydrophobicContact CG2-CG 4.04Å |
| 558 | N | 69.7 | Low | 70.4 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -79 | -41.6 | 179 | -68.7 | -33.8 | 0 | 0 | 0 | 110.9 | D556 R561 W562 R1329 | D556-N558 VanDerWaalsContact C-N 3.3Å; D556-N558 PolarHBondContact O-N 3.38Å; D556-N558 WeakPolarHBondContact OD2-CA 3.41Å; D556-N558 WeakPolarHBondContact OD2-CB 3.33Å; D556-N558 PolarHBondContact OD2-N 3.37Å; N558-R561 PolarHBondContact O-N 2.9Å; N558-W562 VanDerWaalsContact O-CB 3.31Å; N558-W562 WeakPolarHBondContact O-CB 3.43Å; N558-W562 PolarHBondContact O-N 3.26Å; N558-R1329 PolarHBondContact ND2-NH2 3.33Å; N558-R1329 VanDerWaalsContact ND2-NH2 3.13Å |
| 559 | T | 73.1 | Confident | 71.4 | Confident | 0.5 Ų | 0.5 | 55 Ų | 55 | 0% | 0.003 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 173.1 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | A551 G554 D556 R561 W562 R563 L1239 | A551-T559 WeakPolarHBondContact O-CG2 3.09Å; G554-T559 WeakPolarHBondContact O-CB 3.16Å; G554-T559 VanDerWaalsContact O-CG2 3.25Å; G554-T559 WeakPolarHBondContact O-CG2 3.31Å; D556-T559 PolarHBondContact O-N 2.92Å; D556-T559 WeakPolarHBondContact OD1-CB 3.42Å; D556-T559 PolarHBondContact OD1-OG1 3.25Å; D556-T559 PolarHBondContact OD2-N 3.36Å; D556-T559 VanDerWaalsContact OD2-N 3.09Å; D556-T559 PolarHBondContact OD2-OG1 3.06Å; D556-T559 VanDerWaalsContact OD2-OG1 3.1Å; T559-R561 VanDerWaalsContact C-N 3.34Å; T559-R561 PolarHBondContact O-N 3.41Å; T559-W562 PolarHBondContact O-N 3.08Å; T559-R563 HydrophobicContact CG2-CG 4.41Å; T559-R563 WeakPolarHBondContact O-CB 3.43Å; T559-R563 VanDerWaalsContact O-CG 3.3Å; T559-R563 WeakPolarHBondContact O-CG 3.42Å; T559-R563 PolarHBondContact O-N 3.08Å; T559-L1239 HydrophobicContact CG2-CD2 4.37Å |
| 560 | K | 73 | Confident | 72.5 | Confident | 93.5 Ų | 93.5 | 48.9 Ų | 48.9 | 41% | 0.407 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 172.7 | -78.7 | 172.6 | 172.9 | 149.8 | 0 | 112.5 | D555 D556 R563 S564 | D555-K560 WeakPolarHBondContact O-CD 3.16Å; D555-K560 WeakPolarHBondContact O-CE 3.23Å; D555-K560 PolarHBondContact O-NZ 3.38Å; D555-K560 WeakPolarHBondContact OD1-CE 3.22Å; D555-K560 IonicContact OD1-NZ 3.35Å; D555-K560 PolarHBondContact OD1-NZ 3.22Å; D555-K560 IonicContact OD2-NZ 3.64Å; D555-K560 PolarHBondContact OD2-NZ 3.3Å; D556-K560 WeakPolarHBondContact O-CB 3.28Å; D556-K560 WeakPolarHBondContact O-CG 3.26Å; D556-K560 PolarHBondContact O-N 2.97Å; K560-R563 PolarHBondContact O-N 3.45Å; K560-S564 PolarHBondContact O-N 2.78Å; K560-S564 VanDerWaalsContact O-N 3.15Å |
| 561 | R | 73 | Confident | 73.7 | Confident | 130.5 Ų | 130.5 | 43.8 Ų | 43.8 | 49% | 0.492 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.9 | -49.1 | 174.9 | 179.7 | 178.4 | 172.3 | 164.6 | -1.8 | 111.5 | I557 N558 T559 R563 S564 E565 L1103 | I557-R561 VanDerWaalsContact O-CB 3.28Å; I557-R561 WeakPolarHBondContact O-CB 3.37Å; I557-R561 PolarHBondContact O-N 3.09Å; N558-R561 PolarHBondContact O-N 2.9Å; T559-R561 VanDerWaalsContact C-N 3.34Å; T559-R561 PolarHBondContact O-N 3.41Å; R561-R563 VanDerWaalsContact C-N 3.34Å; R561-R563 PolarHBondContact O-N 3.05Å; R561-S564 PolarHBondContact O-N 3.13Å; R561-S564 VanDerWaalsContact O-N 3.14Å; R561-E565 HydrophobicContact CG-CG 4.38Å; R561-E565 WeakPolarHBondContact CG-OE1 3.41Å; R561-E565 IonicContact CZ-OE1 3.01Å; R561-E565 IonicContact CZ-OE2 3.78Å; R561-E565 IonicContact NE-OE1 2.71Å; R561-E565 PolarHBondContact NE-OE1 2.94Å; R561-E565 IonicContact NE-OE2 3.15Å; R561-E565 PolarHBondContact NE-OE2 3.04Å; R561-E565 IonicContact NH2-OE1 3.81Å; R561-E565 PolarHBondContact NH2-OE1 2.88Å; R561-E565 VanDerWaalsContact NH2-OE1 3.15Å; R561-E565 IonicContact NH2-OE2 2.74Å; R561-E565 PolarHBondContact NH2-OE2 3.09Å; R561-E565 WeakPolarHBondContact O-CB 3.35Å; R561-E565 WeakPolarHBondContact O-CG 3.23Å; R561-E565 PolarHBondContact O-N 3.37Å; R561-L1103 VanDerWaalsContact NH2-CD2 3.3Å |
| 562 | W | 77.5 | Confident | 74.7 | Confident | 26 Ų | 26 | 44.2 Ų | 44.2 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 178.6 | 172.3 | 82.8 | 0 | 0 | 0 | 111.6 | Y546 L552 N558 T559 S564 E565 T566 L639 L1239 P1240 | Y546-W562 AromaticContact CE2-CH2 3.96Å; Y546-W562 HydrophobicContact CE2-CH2 4Å; Y546-W562 HydrophobicContact CE2-CZ2 4.31Å; L552-W562 HydrophobicContact CD2-CH2 4.31Å; L552-W562 HydrophobicContact CD2-CZ3 4.32Å; N558-W562 VanDerWaalsContact O-CB 3.31Å; N558-W562 WeakPolarHBondContact O-CB 3.43Å; N558-W562 PolarHBondContact O-N 3.26Å; T559-W562 PolarHBondContact O-N 3.08Å; W562-S564 PolarHBondContact O-N 3.08Å; W562-E565 PolarHBondContact O-N 3.08Å; W562-T566 HydrophobicContact CZ2-CG2 4.35Å; W562-T566 PolarHBondContact NE1-OG1 3.2Å; W562-T566 WeakPolarHBondContact O-CB 3.4Å; W562-T566 PolarHBondContact O-N 2.83Å; W562-T566 PolarHBondContact O-OG1 3.07Å; W562-L639 HydrophobicContact CH2-CD2 4.31Å; W562-L639 HydrophobicContact CZ3-CD2 4.1Å; W562-L1239 HydrophobicContact CB-CD1 4.3Å; W562-L1239 HydrophobicContact CB-CD2 3.85Å; W562-L1239 HydrophobicContact CD2-CD2 4.22Å; W562-L1239 HydrophobicContact CE3-CD2 4.41Å; W562-L1239 HydrophobicContact CG-CD1 4.31Å; W562-L1239 HydrophobicContact CG-CD2 3.97Å; W562-P1240 HydrophobicContact CH2-CB 4.38Å; W562-P1240 HydrophobicContact CH2-CG 3.67Å; W562-P1240 HydrophobicContact CZ2-CB 4.47Å; W562-P1240 HydrophobicContact CZ2-CG 4.14Å; W562-P1240 HydrophobicContact CZ3-CG 4.1Å |
| 563 | R | 77.7 | Confident | 75.8 | Confident | 15.5 Ų | 15.5 | 44.6 Ų | 44.6 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -47.7 | 173.2 | -79.3 | -167.5 | -87 | 147.6 | -19.5 | 111.4 | L552 G554 D555 T559 K560 R561 L567 L639 N643 | L552-R563 VanDerWaalsContact O-CD 3.31Å; L552-R563 WeakPolarHBondContact O-CD 3.41Å; L552-R563 PolarHBondContact O-NE 3.2Å; G554-R563 PolarHBondContact O-NH2 3.01Å; D555-R563 IonicContact OD1-NH2 2.78Å; T559-R563 HydrophobicContact CG2-CG 4.41Å; T559-R563 WeakPolarHBondContact O-CB 3.43Å; T559-R563 VanDerWaalsContact O-CG 3.3Å; T559-R563 WeakPolarHBondContact O-CG 3.42Å; T559-R563 PolarHBondContact O-N 3.08Å; K560-R563 PolarHBondContact O-N 3.45Å; R561-R563 VanDerWaalsContact C-N 3.34Å; R561-R563 PolarHBondContact O-N 3.05Å; R563-L567 WeakPolarHBondContact O-CB 3.37Å; R563-L567 PolarHBondContact O-N 2.92Å; R563-L639 HydrophobicContact CB-CD2 4.47Å; R563-L639 HydrophobicContact CG-CD2 4.07Å; R563-N643 PolarHBondContact NH1-OD1 2.96Å |
| 564 | S | 75.2 | Confident | 76.7 | Confident | 56.5 Ų | 56.5 | 39.6 Ų | 39.6 | 40% | 0.395 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | K560 R561 W562 L567 Q568 | K560-S564 PolarHBondContact O-N 2.78Å; K560-S564 VanDerWaalsContact O-N 3.15Å; R561-S564 PolarHBondContact O-N 3.13Å; R561-S564 VanDerWaalsContact O-N 3.14Å; W562-S564 PolarHBondContact O-N 3.08Å; S564-L567 PolarHBondContact O-N 3.41Å; S564-Q568 WeakPolarHBondContact O-CB 3.44Å; S564-Q568 VanDerWaalsContact O-CG 3.27Å; S564-Q568 WeakPolarHBondContact O-CG 3.41Å; S564-Q568 PolarHBondContact O-N 3.06Å; S564-Q568 VanDerWaalsContact O-N 3.08Å; S564-Q568 PolarHBondContact O-NE2 3Å; S564-Q568 PolarHBondContact OG-NE2 2.68Å; S564-Q568 VanDerWaalsContact OG-NE2 3.08Å |
| 565 | E | 74.8 | Confident | 77.7 | Confident | 54 Ų | 54 | 41 Ų | 41 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 179.4 | -115.8 | 171.8 | 162 | 0 | 0 | 111.1 | R561 W562 Q568 Q569 L1103 | R561-E565 HydrophobicContact CG-CG 4.38Å; R561-E565 WeakPolarHBondContact CG-OE1 3.41Å; R561-E565 IonicContact CZ-OE1 3.01Å; R561-E565 IonicContact CZ-OE2 3.78Å; R561-E565 IonicContact NE-OE1 2.71Å; R561-E565 PolarHBondContact NE-OE1 2.94Å; R561-E565 IonicContact NE-OE2 3.15Å; R561-E565 PolarHBondContact NE-OE2 3.04Å; R561-E565 IonicContact NH2-OE1 3.81Å; R561-E565 PolarHBondContact NH2-OE1 2.88Å; R561-E565 VanDerWaalsContact NH2-OE1 3.15Å; R561-E565 IonicContact NH2-OE2 2.74Å; R561-E565 PolarHBondContact NH2-OE2 3.09Å; R561-E565 WeakPolarHBondContact O-CB 3.35Å; R561-E565 WeakPolarHBondContact O-CG 3.23Å; R561-E565 PolarHBondContact O-N 3.37Å; W562-E565 PolarHBondContact O-N 3.08Å; E565-Q568 PolarHBondContact O-N 3.27Å; E565-Q569 WeakPolarHBondContact O-CB 3.36Å; E565-Q569 PolarHBondContact O-N 3Å; E565-L1103 HydrophobicContact CG-CD1 4.3Å |
| 566 | T | 80 | Confident | 78.7 | Confident | 10 Ų | 10 | 36 Ų | 36 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.7 | -36.1 | 178.8 | -51.2 | 0 | 0 | 0 | 0 | 112 | W562 Q569 A570 L635 L639 | W562-T566 HydrophobicContact CZ2-CG2 4.35Å; W562-T566 PolarHBondContact NE1-OG1 3.2Å; W562-T566 WeakPolarHBondContact O-CB 3.4Å; W562-T566 PolarHBondContact O-N 2.83Å; W562-T566 PolarHBondContact O-OG1 3.07Å; T566-Q569 PolarHBondContact O-N 3.16Å; T566-A570 WeakPolarHBondContact O-CB 3.34Å; T566-A570 PolarHBondContact O-N 3.1Å; T566-L635 HydrophobicContact CG2-CD1 4.17Å; T566-L635 HydrophobicContact CG2-CD2 3.91Å; T566-L635 HydrophobicContact CG2-CG 4.28Å; T566-L639 HydrophobicContact CG2-CD1 3.63Å |
| 567 | L | 81.5 | Confident | 79.7 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 14% | 0.136 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 173.6 | -175.5 | 157.5 | 0 | 0 | 0 | 110.7 | R563 S564 A570 R571 Y636 L639 D640 N643 | R563-L567 WeakPolarHBondContact O-CB 3.37Å; R563-L567 PolarHBondContact O-N 2.92Å; S564-L567 PolarHBondContact O-N 3.41Å; L567-A570 PolarHBondContact O-N 3.24Å; L567-R571 VanDerWaalsContact O-CB 3.29Å; L567-R571 WeakPolarHBondContact O-CB 3.42Å; L567-R571 PolarHBondContact O-N 3.39Å; L567-Y636 HydrophobicContact CD2-CD2 4.15Å; L567-Y636 HydrophobicContact CD2-CE2 3.67Å; L567-Y636 HydrophobicContact CG-CD2 4.06Å; L567-Y636 HydrophobicContact CG-CE2 4.01Å; L567-L639 HydrophobicContact CB-CB 4.29Å; L567-L639 HydrophobicContact CB-CD1 4.17Å; L567-L639 HydrophobicContact CD1-CB 4.28Å; L567-D640 HydrophobicContact CD1-CB 4.38Å; L567-N643 WeakPolarHBondContact CD1-ND2 3.37Å |
| 568 | Q | 76.6 | Confident | 80.5 | Confident | 56 Ų | 56 | 31.6 Ų | 31.6 | 26% | 0.262 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 173.5 | -71.9 | 170.7 | 27.7 | 0 | 0 | 111.8 | S564 E565 R571 A572 N1106 | S564-Q568 WeakPolarHBondContact O-CB 3.44Å; S564-Q568 VanDerWaalsContact O-CG 3.27Å; S564-Q568 WeakPolarHBondContact O-CG 3.41Å; S564-Q568 PolarHBondContact O-N 3.06Å; S564-Q568 VanDerWaalsContact O-N 3.08Å; S564-Q568 PolarHBondContact O-NE2 3Å; S564-Q568 PolarHBondContact OG-NE2 2.68Å; S564-Q568 VanDerWaalsContact OG-NE2 3.08Å; E565-Q568 PolarHBondContact O-N 3.27Å; Q568-R571 PolarHBondContact O-N 2.86Å; Q568-A572 WeakPolarHBondContact O-CB 3.25Å; Q568-A572 PolarHBondContact O-N 3.2Å; Q568-N1106 VanDerWaalsContact CD-ND2 3.26Å; Q568-N1106 PolarHBondContact OE1-ND2 2.96Å |
| 569 | Q | 80.9 | Confident | 81.4 | Confident | 63.5 Ų | 63.5 | 30.5 Ų | 30.5 | 30% | 0.297 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 175 | -175.3 | 176 | 2 | 0 | 0 | 112.1 | E565 T566 R571 A572 G573 | E565-Q569 WeakPolarHBondContact O-CB 3.36Å; E565-Q569 PolarHBondContact O-N 3Å; T566-Q569 PolarHBondContact O-N 3.16Å; Q569-R571 VanDerWaalsContact C-N 3.33Å; Q569-R571 PolarHBondContact O-N 3.17Å; Q569-A572 PolarHBondContact O-N 3.11Å; Q569-G573 PolarHBondContact O-N 3.35Å |
| 570 | A | 84.4 | Confident | 82.1 | Confident | 1.5 Ų | 1.5 | 30.8 Ų | 30.8 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T566 L567 G573 V574 L635 | T566-A570 WeakPolarHBondContact O-CB 3.34Å; T566-A570 PolarHBondContact O-N 3.1Å; L567-A570 PolarHBondContact O-N 3.24Å; A570-G573 PolarHBondContact O-N 3.12Å; A570-V574 WeakPolarHBondContact O-CG2 3.35Å; A570-V574 PolarHBondContact O-N 3.16Å; A570-L635 HydrophobicContact CB-CB 4.14Å; A570-L635 HydrophobicContact CB-CD2 3.94Å; A570-L635 HydrophobicContact CB-CG 3.92Å |
| 571 | R | 83.3 | Confident | 83 | Confident | 28 Ų | 28 | 26.4 Ų | 26.4 | 11% | 0.106 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.5 | 172.2 | 163.8 | -179.1 | -166.4 | 0.1 | 113.1 | L567 Q568 Q569 G573 V574 L575 Y636 I726 P728 I756 | L567-R571 VanDerWaalsContact O-CB 3.29Å; L567-R571 WeakPolarHBondContact O-CB 3.42Å; L567-R571 PolarHBondContact O-N 3.39Å; Q568-R571 PolarHBondContact O-N 2.86Å; Q569-R571 VanDerWaalsContact C-N 3.33Å; Q569-R571 PolarHBondContact O-N 3.17Å; R571-G573 VanDerWaalsContact C-N 3.31Å; R571-V574 PolarHBondContact O-N 2.87Å; R571-L575 HydrophobicContact CG-CD1 4.45Å; R571-L575 PolarHBondContact O-N 3.44Å; R571-L575 VanDerWaalsContact O-N 3.13Å; R571-Y636 HydrophobicContact CB-CD2 4.1Å; R571-Y636 HydrophobicContact CB-CE2 4.09Å; R571-I726 HydrophobicContact CB-CG2 4.16Å; R571-I726 WeakPolarHBondContact CD-O 3.46Å; R571-I726 HydrophobicContact CG-CG2 3.57Å; R571-I726 PolarHBondContact NE-O 3.12Å; R571-I726 VanDerWaalsContact NE-O 3.07Å; R571-I726 PolarHBondContact NH1-O 3.18Å; R571-P728 VanDerWaalsContact NH1-CD 3.32Å; R571-P728 VanDerWaalsContact NH1-N 3.17Å; R571-I756 VanDerWaalsContact CZ-CD1 3.48Å |
| 572 | A | 82.3 | Confident | 83.8 | Confident | 12.5 Ų | 12.5 | 20.1 Ų | 20.1 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q568 Q569 V574 L575 S576 | Q568-A572 WeakPolarHBondContact O-CB 3.25Å; Q568-A572 PolarHBondContact O-N 3.2Å; Q569-A572 PolarHBondContact O-N 3.11Å; A572-V574 PolarHBondContact O-N 3.24Å; A572-L575 PolarHBondContact O-N 2.82Å; A572-S576 WeakPolarHBondContact O-CB 3.25Å; A572-S576 PolarHBondContact O-N 3.05Å |
| 573 | G | 86.1 | Confident | 84.3 | Confident | 12.5 Ų | 12.5 | 19.2 Ų | 19.2 | 13% | 0.129 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q569 A570 R571 S576 H577 | Q569-G573 PolarHBondContact O-N 3.35Å; A570-G573 PolarHBondContact O-N 3.12Å; R571-G573 VanDerWaalsContact C-N 3.31Å; G573-S576 WeakPolarHBondContact O-CB 3.41Å; G573-S576 PolarHBondContact O-N 3.14Å; G573-H577 PolarHBondContact O-CD2 2.92Å; G573-H577 PolarHBondContact O-N 3.33Å |
| 574 | V | 87.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.2 | -49.3 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | A570 R571 A572 S576 L578 L629 C632 V633 L722 I726 | A570-V574 WeakPolarHBondContact O-CG2 3.35Å; A570-V574 PolarHBondContact O-N 3.16Å; R571-V574 PolarHBondContact O-N 2.87Å; A572-V574 PolarHBondContact O-N 3.24Å; V574-S576 VanDerWaalsContact C-N 3.27Å; V574-S576 PolarHBondContact O-N 3.14Å; V574-L578 WeakPolarHBondContact O-CB 3.37Å; V574-L578 PolarHBondContact O-N 3.24Å; V574-L629 HydrophobicContact CB-CD1 4.07Å; V574-L629 HydrophobicContact CG1-CD1 3.58Å; V574-L629 HydrophobicContact CG2-CD1 4.17Å; V574-C632 HydrophobicContact CG2-CB 3.65Å; V574-V633 HydrophobicContact CG1-CG2 4.47Å; V574-V633 HydrophobicContact CG2-CG2 3.7Å; V574-L722 HydrophobicContact CG1-CD2 4.28Å; V574-I726 HydrophobicContact CB-CD1 4.03Å; V574-I726 HydrophobicContact CG1-CD1 3.38Å; V574-I726 VanDerWaalsContact CG1-CD1 3.46Å; V574-I726 HydrophobicContact CG2-CD1 4.07Å |
| 575 | L | 86 | Confident | 85.5 | Confident | 32 Ų | 32 | 15.8 Ų | 15.8 | 17% | 0.168 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.3 | -42.1 | 176 | -79.9 | 161.8 | 0 | 0 | 0 | 111.9 | R571 A572 G579 L723 I756 I757 | R571-L575 HydrophobicContact CG-CD1 4.45Å; R571-L575 PolarHBondContact O-N 3.44Å; R571-L575 VanDerWaalsContact O-N 3.13Å; A572-L575 PolarHBondContact O-N 2.82Å; L575-G579 WeakPolarHBondContact O-CA 3.39Å; L575-G579 PolarHBondContact O-N 2.95Å; L575-L723 HydrophobicContact CD2-CD1 4.37Å; L575-L723 HydrophobicContact CD2-CD2 3.5Å; L575-L723 VanDerWaalsContact CD2-CD2 3.42Å; L575-L723 HydrophobicContact CG-CD2 4.14Å; L575-I756 HydrophobicContact CD1-CG2 4.32Å; L575-I757 HydrophobicContact CD2-CD1 4.03Å |
| 576 | S | 88.2 | Confident | 86.1 | Confident | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.9 | -52.5 | -177.4 | -171 | 0 | 0 | 0 | 0 | 112.7 | A572 G573 V574 G579 A580 D1063 G1066 P1067 | A572-S576 WeakPolarHBondContact O-CB 3.25Å; A572-S576 PolarHBondContact O-N 3.05Å; G573-S576 WeakPolarHBondContact O-CB 3.41Å; G573-S576 PolarHBondContact O-N 3.14Å; V574-S576 VanDerWaalsContact C-N 3.27Å; V574-S576 PolarHBondContact O-N 3.14Å; S576-G579 WeakPolarHBondContact O-CA 3.39Å; S576-G579 PolarHBondContact O-N 3.4Å; S576-A580 PolarHBondContact O-N 3.11Å; S576-D1063 VanDerWaalsContact CA-O 3.28Å; S576-D1063 WeakPolarHBondContact CA-O 3.33Å; S576-D1063 VanDerWaalsContact CB-O 3.22Å; S576-D1063 WeakPolarHBondContact CB-O 3.36Å; S576-D1063 VanDerWaalsContact OG-C 3.3Å; S576-D1063 PolarHBondContact OG-O 3Å; S576-G1066 WeakPolarHBondContact OG-CA 3.36Å; S576-G1066 PolarHBondContact OG-N 2.72Å; S576-P1067 VanDerWaalsContact O-CG 3.27Å; S576-P1067 WeakPolarHBondContact O-CG 3.47Å; S576-P1067 WeakPolarHBondContact OG-CD 3.31Å |
| 577 | H | 90.5 | Very high | 86.4 | Confident | 13 Ų | 13 | 15.1 Ų | 15.1 | 6% | 0.06 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.9 | -42.6 | 178.8 | -66.5 | -54.8 | 0 | 0 | 0 | 112.5 | G573 G579 A580 M581 N625 L629 G1066 T1070 | G573-H577 PolarHBondContact O-CD2 2.92Å; G573-H577 PolarHBondContact O-N 3.33Å; H577-G579 PolarHBondContact O-N 3.38Å; H577-A580 PolarHBondContact O-N 3.25Å; H577-M581 HydrophobicContact CB-SD 4.48Å; H577-M581 VanDerWaalsContact O-CG 3.25Å; H577-M581 WeakPolarHBondContact O-CG 3.44Å; H577-M581 PolarHBondContact O-N 3.07Å; H577-M581 VanDerWaalsContact O-N 3.11Å; H577-N625 HydrophobicContact CB-CB 4.36Å; H577-N625 PolarHBondContact ND1-OD1 3.13Å; H577-N625 VanDerWaalsContact ND1-OD1 3.15Å; H577-L629 HydrophobicContact CB-CB 3.89Å; H577-G1066 VanDerWaalsContact CE1-C 3.45Å; H577-G1066 PolarHBondContact CE1-O 3.27Å; H577-T1070 PolarHBondContact CE1-OG1 3.25Å |
| 578 | L | 89.9 | Confident | 86.6 | Confident | 1.5 Ų | 1.5 | 14 Ų | 14 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 174.3 | -170.7 | 61.6 | 0 | 0 | 0 | 110.6 | V574 M581 T582 L629 L662 S719 L723 | V574-L578 WeakPolarHBondContact O-CB 3.37Å; V574-L578 PolarHBondContact O-N 3.24Å; L578-M581 PolarHBondContact O-N 2.88Å; L578-T582 HydrophobicContact CD1-CG2 4.46Å; L578-T582 HydrophobicContact CG-CG2 4.48Å; L578-T582 WeakPolarHBondContact O-CG2 3.12Å; L578-T582 PolarHBondContact O-N 3.18Å; L578-T582 PolarHBondContact O-OG1 3.3Å; L578-L629 HydrophobicContact CB-CD1 4.41Å; L578-L629 HydrophobicContact CD1-CD2 4.31Å; L578-L662 HydrophobicContact CD1-CD1 4.45Å; L578-L662 HydrophobicContact CD1-CD2 3.59Å; L578-S719 WeakPolarHBondContact CD1-OG 3.23Å; L578-L723 HydrophobicContact CD2-CD1 3.9Å; L578-L723 HydrophobicContact CD2-CD2 3.76Å; L578-L723 HydrophobicContact CD2-CG 3.58Å |
| 579 | G | 87.3 | Confident | 87 | Confident | 5 Ų | 5 | 11.6 Ų | 11.6 | 5% | 0.052 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -51.5 | -55.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L575 S576 H577 M581 T582 M583 | L575-G579 WeakPolarHBondContact O-CA 3.39Å; L575-G579 PolarHBondContact O-N 2.95Å; S576-G579 WeakPolarHBondContact O-CA 3.39Å; S576-G579 PolarHBondContact O-N 3.4Å; H577-G579 PolarHBondContact O-N 3.38Å; G579-M581 VanDerWaalsContact C-N 3.29Å; G579-M581 PolarHBondContact O-N 3.36Å; G579-T582 PolarHBondContact O-N 2.84Å; G579-T582 PolarHBondContact O-OG1 3.26Å; G579-T582 VanDerWaalsContact O-OG1 3.08Å; G579-M583 WeakPolarHBondContact O-CB 3.23Å; G579-M583 WeakPolarHBondContact O-CE 3.17Å; G579-M583 VanDerWaalsContact O-CG 3.26Å; G579-M583 WeakPolarHBondContact O-CG 3.37Å; G579-M583 PolarHBondContact O-N 3.13Å |
| 580 | A | 89.1 | Confident | 86.9 | Confident | 5.5 Ų | 5.5 | 9.4 Ų | 9.4 | 5% | 0.045 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.3 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S576 H577 A584 P1067 | S576-A580 PolarHBondContact O-N 3.11Å; H577-A580 PolarHBondContact O-N 3.25Å; A580-A584 VanDerWaalsContact O-CB 3.3Å; A580-A584 WeakPolarHBondContact O-CB 3.48Å; A580-A584 PolarHBondContact O-N 3.2Å; A580-P1067 HydrophobicContact CB-CB 3.76Å; A580-P1067 HydrophobicContact CB-CG 3.45Å |
| 581 | M | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -71.8 | -40.8 | -177.8 | -68.3 | 162.8 | 49.6 | 0 | 0 | 112.8 | H577 L578 G579 A584 T585 N625 V626 L629 F666 | H577-M581 HydrophobicContact CB-SD 4.48Å; H577-M581 VanDerWaalsContact O-CG 3.25Å; H577-M581 WeakPolarHBondContact O-CG 3.44Å; H577-M581 PolarHBondContact O-N 3.07Å; H577-M581 VanDerWaalsContact O-N 3.11Å; L578-M581 PolarHBondContact O-N 2.88Å; G579-M581 VanDerWaalsContact C-N 3.29Å; G579-M581 PolarHBondContact O-N 3.36Å; M581-A584 PolarHBondContact O-N 2.9Å; M581-T585 WeakPolarHBondContact O-CB 3.45Å; M581-T585 PolarHBondContact O-N 2.82Å; M581-T585 PolarHBondContact O-OG1 3.23Å; M581-N625 HydrophobicContact CG-CB 3.54Å; M581-N625 VanDerWaalsContact CG-CB 3.5Å; M581-N625 VanDerWaalsContact SD-C 3.5Å; M581-N625 HydrophobicContact SD-CB 3.81Å; M581-V626 HydrophobicContact CE-CB 4.3Å; M581-V626 HydrophobicContact CE-CG2 3.34Å; M581-V626 HydrophobicContact SD-CB 4.45Å; M581-V626 HydrophobicContact SD-CG2 3.88Å; M581-V626 PolarHBondContact SD-N 3.42Å; M581-L629 HydrophobicContact CE-CD2 3.67Å; M581-L629 VanDerWaalsContact CE-CD2 3.5Å; M581-L629 HydrophobicContact SD-CB 4.2Å; M581-L629 HydrophobicContact SD-CD2 3.92Å; M581-F666 HydrophobicContact CB-CE1 4.25Å; M581-F666 HydrophobicContact CB-CE2 4.47Å; M581-F666 HydrophobicContact CB-CZ 3.72Å; M581-F666 HydrophobicContact CE-CD2 3.7Å; M581-F666 HydrophobicContact CE-CE1 4.29Å; M581-F666 HydrophobicContact CE-CE2 3.08Å; M581-F666 HydrophobicContact CE-CG 4.38Å; M581-F666 HydrophobicContact CE-CZ 3.44Å; M581-F666 VanDerWaalsContact CE-CZ 3.5Å |
| 582 | T | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.1 | -39.8 | 174.1 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | L578 G579 T585 G586 V840 C843 T844 | L578-T582 HydrophobicContact CD1-CG2 4.46Å; L578-T582 HydrophobicContact CG-CG2 4.48Å; L578-T582 WeakPolarHBondContact O-CG2 3.12Å; L578-T582 PolarHBondContact O-N 3.18Å; L578-T582 PolarHBondContact O-OG1 3.3Å; G579-T582 PolarHBondContact O-N 2.84Å; G579-T582 PolarHBondContact O-OG1 3.26Å; G579-T582 VanDerWaalsContact O-OG1 3.08Å; T582-T585 WeakPolarHBondContact O-CB 3.41Å; T582-T585 PolarHBondContact O-N 3.17Å; T582-G586 PolarHBondContact O-N 3.24Å; T582-V840 WeakPolarHBondContact CB-O 3.45Å; T582-V840 HydrophobicContact CG2-CG1 4.37Å; T582-V840 WeakPolarHBondContact O-CG1 3.37Å; T582-C843 HydrophobicContact CG2-CB 4.36Å; T582-T844 WeakPolarHBondContact OG1-CG2 3.35Å; T582-T844 PolarHBondContact OG1-OG1 3.18Å |
| 583 | M | 88.5 | Confident | 84.3 | Confident | 6 Ų | 6 | 11.2 Ų | 11.2 | 3% | 0.03 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 174 | -72.4 | -170.3 | -61.8 | 0 | 0 | 111.7 | G579 T585 G586 R587 Q847 E849 Q853 | G579-M583 WeakPolarHBondContact O-CB 3.23Å; G579-M583 WeakPolarHBondContact O-CE 3.17Å; G579-M583 VanDerWaalsContact O-CG 3.26Å; G579-M583 WeakPolarHBondContact O-CG 3.37Å; G579-M583 PolarHBondContact O-N 3.13Å; M583-T585 VanDerWaalsContact C-N 3.31Å; M583-T585 PolarHBondContact O-N 3.32Å; M583-G586 PolarHBondContact O-N 3.01Å; M583-G586 VanDerWaalsContact O-N 3.16Å; M583-R587 PolarHBondContact O-N 3.2Å; M583-Q847 HydrophobicContact CE-CB 4.43Å; M583-Q847 HydrophobicContact CE-CG 4.37Å; M583-Q847 HydrophobicContact SD-CB 3.71Å; M583-Q847 HydrophobicContact SD-CG 4.15Å; M583-E849 WeakPolarHBondContact CB-OE1 3.42Å; M583-E849 HydrophobicContact SD-CB 3.86Å; M583-Q853 PolarHBondContact O-NE2 3.4Å |
| 584 | A | 89.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A580 M581 G586 R587 L588 S618 I622 | A580-A584 VanDerWaalsContact O-CB 3.3Å; A580-A584 WeakPolarHBondContact O-CB 3.48Å; A580-A584 PolarHBondContact O-N 3.2Å; M581-A584 PolarHBondContact O-N 2.9Å; A584-G586 VanDerWaalsContact C-N 3.27Å; A584-G586 PolarHBondContact O-N 3.38Å; A584-R587 PolarHBondContact O-N 3.04Å; A584-L588 WeakPolarHBondContact O-CB 3.46Å; A584-L588 PolarHBondContact O-N 3.26Å; A584-S618 WeakPolarHBondContact O-CB 3.32Å; A584-I622 HydrophobicContact CB-CD1 4.33Å; A584-I622 HydrophobicContact CB-CG1 3.81Å |
| 585 | T | 89.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 173.3 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | M581 T582 M583 L588 I589 F666 L669 A712 V715 V840 | M581-T585 WeakPolarHBondContact O-CB 3.45Å; M581-T585 PolarHBondContact O-N 2.82Å; M581-T585 PolarHBondContact O-OG1 3.23Å; T582-T585 WeakPolarHBondContact O-CB 3.41Å; T582-T585 PolarHBondContact O-N 3.17Å; M583-T585 VanDerWaalsContact C-N 3.31Å; M583-T585 PolarHBondContact O-N 3.32Å; T585-L588 WeakPolarHBondContact O-CB 3.4Å; T585-L588 PolarHBondContact O-N 3.17Å; T585-I589 HydrophobicContact CG2-CD1 4.45Å; T585-I589 WeakPolarHBondContact O-CG1 3.41Å; T585-I589 PolarHBondContact O-N 3.24Å; T585-F666 WeakPolarHBondContact OG1-CE1 3.2Å; T585-L669 HydrophobicContact CG2-CD2 3.83Å; T585-A712 HydrophobicContact CG2-CB 3.95Å; T585-V715 HydrophobicContact CG2-CG1 4.41Å; T585-V840 HydrophobicContact CG2-CG1 4.02Å; T585-V840 HydrophobicContact CG2-CG2 4.07Å |
| 586 | G | 87.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.8 | -38.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | T582 M583 A584 L588 I589 S590 Q853 | T582-G586 PolarHBondContact O-N 3.24Å; M583-G586 PolarHBondContact O-N 3.01Å; M583-G586 VanDerWaalsContact O-N 3.16Å; A584-G586 VanDerWaalsContact C-N 3.27Å; A584-G586 PolarHBondContact O-N 3.38Å; G586-L588 VanDerWaalsContact C-N 3.31Å; G586-L588 PolarHBondContact O-N 2.74Å; G586-I589 PolarHBondContact O-N 2.9Å; G586-S590 PolarHBondContact O-N 3.02Å; G586-S590 VanDerWaalsContact O-N 3.09Å; G586-S590 PolarHBondContact O-OG 3.02Å; G586-Q853 VanDerWaalsContact CA-CD 3.4Å |
| 587 | R | 85.1 | Confident | 76.5 | Confident | 50 Ų | 50 | 24 Ų | 24 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.3 | -47.2 | 167.1 | -73.6 | -172.6 | 172.2 | 94.1 | -1.2 | 111.2 | M583 A584 I589 S590 G591 S618 E849 Q853 D1157 | M583-R587 PolarHBondContact O-N 3.2Å; A584-R587 PolarHBondContact O-N 3.04Å; R587-I589 VanDerWaalsContact C-N 3.32Å; R587-I589 PolarHBondContact O-N 3.04Å; R587-S590 WeakPolarHBondContact O-CA 3.45Å; R587-S590 WeakPolarHBondContact O-CB 3.48Å; R587-S590 PolarHBondContact O-N 3.05Å; R587-G591 PolarHBondContact O-N 3.16Å; R587-S618 WeakPolarHBondContact CB-OG 3.35Å; R587-E849 IonicContact CZ-OE1 3.11Å; R587-E849 IonicContact CZ-OE2 3.7Å; R587-E849 IonicContact NE-OE1 2.73Å; R587-E849 PolarHBondContact NE-OE1 3.11Å; R587-E849 IonicContact NH1-OE1 3.84Å; R587-E849 PolarHBondContact NH1-OE1 2.87Å; R587-E849 IonicContact NH1-OE2 3.43Å; R587-E849 PolarHBondContact NH1-OE2 3.13Å; R587-E849 IonicContact NH2-OE1 2.68Å; R587-E849 PolarHBondContact NH2-OE1 3.17Å; R587-E849 VanDerWaalsContact NH2-OE1 3.09Å; R587-E849 IonicContact NH2-OE2 3.26Å; R587-E849 PolarHBondContact NH2-OE2 3.21Å; R587-Q853 VanDerWaalsContact CG-NE2 3.3Å; R587-D1157 IonicContact NE-OD1 3.15Å; R587-D1157 IonicContact NE-OD2 2.69Å; R587-D1157 IonicContact NH2-OD1 2.75Å |
| 588 | L | 86.8 | Confident | 74 | Confident | 2.5 Ų | 2.5 | 34.1 Ų | 34.1 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 178.7 | -173.6 | 109.7 | 0 | 0 | 0 | 111.9 | A584 T585 G586 S590 G591 I592 M615 M619 L669 L708 | A584-L588 WeakPolarHBondContact O-CB 3.46Å; A584-L588 PolarHBondContact O-N 3.26Å; T585-L588 WeakPolarHBondContact O-CB 3.4Å; T585-L588 PolarHBondContact O-N 3.17Å; G586-L588 VanDerWaalsContact C-N 3.31Å; G586-L588 PolarHBondContact O-N 2.74Å; L588-S590 VanDerWaalsContact C-N 3.27Å; L588-S590 PolarHBondContact O-N 3.11Å; L588-G591 PolarHBondContact O-N 3.07Å; L588-I592 HydrophobicContact CD2-CD1 4Å; L588-I592 WeakPolarHBondContact O-CD1 3.42Å; L588-I592 VanDerWaalsContact O-CG1 3.31Å; L588-I592 WeakPolarHBondContact O-CG1 3.45Å; L588-M615 HydrophobicContact CD1-CB 4.22Å; L588-M615 HydrophobicContact CD1-CE 4.03Å; L588-M615 HydrophobicContact CD1-CG 4.01Å; L588-M619 HydrophobicContact CD1-CE 4.08Å; L588-M619 HydrophobicContact CD2-CE 4.35Å; L588-L669 HydrophobicContact CD2-CD1 4.33Å; L588-L669 HydrophobicContact CD2-CD2 4.15Å; L588-L669 HydrophobicContact CD2-CG 4.14Å; L588-L708 HydrophobicContact CD2-CD1 4.3Å; L588-L708 HydrophobicContact CD2-CD2 4.5Å |
| 589 | I | 84.2 | Confident | 71.5 | Confident | 5.5 Ų | 5.5 | 44 Ų | 44 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -37.3 | 173.7 | -67.2 | 163.7 | 0 | 0 | 0 | 111.6 | T585 G586 R587 L709 A712 Q833 T836 V840 | T585-I589 HydrophobicContact CG2-CD1 4.45Å; T585-I589 WeakPolarHBondContact O-CG1 3.41Å; T585-I589 PolarHBondContact O-N 3.24Å; G586-I589 PolarHBondContact O-N 2.9Å; R587-I589 VanDerWaalsContact C-N 3.32Å; R587-I589 PolarHBondContact O-N 3.04Å; I589-L709 HydrophobicContact CG2-CD2 4.03Å; I589-A712 HydrophobicContact CD1-CB 3.86Å; I589-A712 HydrophobicContact CG1-CB 4.09Å; I589-Q833 HydrophobicContact CG2-CG 3.43Å; I589-Q833 VanDerWaalsContact CG2-CG 3.47Å; I589-Q833 PolarHBondContact O-NE2 2.99Å; I589-T836 HydrophobicContact CD1-CG2 3.84Å; I589-V840 HydrophobicContact CD1-CG2 4.17Å |
| 590 | S | 79.3 | Confident | 69.1 | Low | 17.5 Ų | 17.5 | 55 Ų | 55 | 12% | 0.122 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.7 | -42.1 | -176 | -56 | 0 | 0 | 0 | 0 | 112.2 | G586 R587 L588 I592 E593 | G586-S590 PolarHBondContact O-N 3.02Å; G586-S590 VanDerWaalsContact O-N 3.09Å; G586-S590 PolarHBondContact O-OG 3.02Å; R587-S590 WeakPolarHBondContact O-CA 3.45Å; R587-S590 WeakPolarHBondContact O-CB 3.48Å; R587-S590 PolarHBondContact O-N 3.05Å; L588-S590 VanDerWaalsContact C-N 3.27Å; L588-S590 PolarHBondContact O-N 3.11Å; S590-I592 VanDerWaalsContact C-N 3.25Å; S590-I592 PolarHBondContact O-N 3.08Å; S590-I592 VanDerWaalsContact O-N 3.12Å; S590-E593 PolarHBondContact O-N 3.04Å |
| 591 | G | 69.8 | Low | 66.4 | Low | 7 Ų | 7 | 61.7 Ų | 61.7 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -24.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R587 L588 E593 | R587-G591 PolarHBondContact O-N 3.16Å; L588-G591 PolarHBondContact O-N 3.07Å; G591-E593 VanDerWaalsContact C-N 3.29Å; G591-E593 PolarHBondContact O-N 2.89Å |
| 592 | I | 68.2 | Low | 63.5 | Low | 37 Ų | 37 | 65.5 Ų | 65.5 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -19.9 | -178.5 | -65.6 | 160.8 | 0 | 0 | 0 | 112.6 | L588 S590 M615 L708 | L588-I592 HydrophobicContact CD2-CD1 4Å; L588-I592 WeakPolarHBondContact O-CD1 3.42Å; L588-I592 VanDerWaalsContact O-CG1 3.31Å; L588-I592 WeakPolarHBondContact O-CG1 3.45Å; S590-I592 VanDerWaalsContact C-N 3.25Å; S590-I592 PolarHBondContact O-N 3.08Å; S590-I592 VanDerWaalsContact O-N 3.12Å; I592-M615 HydrophobicContact CD1-CE 4.28Å; I592-L708 HydrophobicContact CD1-CD2 3.28Å; I592-L708 HydrophobicContact CD1-CG 4.12Å; I592-L708 HydrophobicContact CG1-CD2 4.13Å |
| 593 | E | 57.2 | Low | 60.8 | Low | 36 Ų | 36 | 72 Ų | 72 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -20.6 | -175.6 | -72 | -146.2 | -171.8 | 0 | 0 | 115.9 | S590 G591 S595 N596 R705 Q833 | S590-E593 PolarHBondContact O-N 3.04Å; G591-E593 VanDerWaalsContact C-N 3.29Å; G591-E593 PolarHBondContact O-N 2.89Å; E593-S595 PolarHBondContact O-N 3.12Å; E593-N596 PolarHBondContact O-N 3.49Å; E593-R705 IonicContact OE1-CZ 3.61Å; E593-R705 IonicContact OE1-NH1 2.68Å; E593-R705 PolarHBondContact OE1-NH1 2.76Å; E593-R705 IonicContact OE1-NH2 3.01Å; E593-R705 PolarHBondContact OE1-NH2 3.17Å; E593-R705 IonicContact OE2-NH1 3.36Å; E593-Q833 WeakPolarHBondContact OE1-CB 3.44Å; E593-Q833 VanDerWaalsContact OE1-CG 3.31Å; E593-Q833 WeakPolarHBondContact OE1-CG 3.32Å; E593-Q833 PolarHBondContact OE1-NE2 3.47Å; E593-Q833 PolarHBondContact OE1-OE1 3.18Å; E593-Q833 PolarHBondContact OE2-OE1 3.46Å; E593-Q833 VanDerWaalsContact OE2-OE1 3.05Å |
| 594 | I | 50.3 | Low | 58.1 | Low | 103 Ų | 103 | 80.5 Ų | 80.5 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.6 | -22.4 | -174.4 | -59.9 | 176.1 | 0 | 0 | 0 | 111.9 | N596 N597 | I594-N596 PolarHBondContact O-N 3.03Å; I594-N597 PolarHBondContact O-N 3.42Å |
| 595 | S | 46.5 | Very low | 55.4 | Low | 41 Ų | 41 | 87.1 Ų | 87.1 | 29% | 0.287 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.3 | -14.9 | 179.1 | 179.6 | 0 | 0 | 0 | 0 | 116.6 | E593 A608 | E593-S595 PolarHBondContact O-N 3.12Å; S595-A608 WeakPolarHBondContact OG-CA 3.39Å; S595-A608 WeakPolarHBondContact OG-CB 3.22Å |
| 596 | N | 45.4 | Very low | 52.6 | Low | 96.5 Ų | 96.5 | 93.6 Ų | 93.6 | 52% | 0.516 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -107.4 | -16.7 | -178 | -75.2 | -54.5 | 0 | 0 | 0 | 115.6 | E593 I594 R598 | E593-N596 PolarHBondContact O-N 3.49Å; I594-N596 PolarHBondContact O-N 3.03Å; N596-R598 VanDerWaalsContact C-N 3.34Å; N596-R598 PolarHBondContact O-N 3.12Å |
| 597 | N | 42.3 | Very low | 50.3 | Low | 77 Ų | 77 | 101.7 Ų | 101.7 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -82 | -7.9 | -169.9 | -96.4 | -19.5 | 0 | 0 | 0 | 115.1 | I594 R826 E860 | I594-N597 PolarHBondContact O-N 3.42Å; N597-R826 VanDerWaalsContact CG-NH2 3.29Å; N597-R826 PolarHBondContact ND2-NH2 2.86Å; N597-R826 VanDerWaalsContact OD1-CZ 3.23Å; N597-R826 PolarHBondContact OD1-NH1 3.19Å; N597-R826 PolarHBondContact OD1-NH2 3.37Å; N597-E860 PolarHBondContact ND2-OE1 3.05Å; N597-E860 PolarHBondContact ND2-OE2 3.43Å; N597-E860 VanDerWaalsContact ND2-OE2 3.12Å |
| 598 | R | 37.7 | Very low | 48.4 | Very low | 223.5 Ų | 223.5 | 101.8 Ų | 101.8 | 84% | 0.843 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 13.4 | 179.3 | -75.5 | -172.4 | 178.2 | 174.4 | 2.5 | 115.7 | N596 R600 | N596-R598 VanDerWaalsContact C-N 3.34Å; N596-R598 PolarHBondContact O-N 3.12Å; R598-R600 PolarHBondContact O-N 3.02Å |
| 599 | R | 36.2 | Very low | 46.8 | Very low | 209 Ų | 209 | 110 Ų | 110 | 79% | 0.789 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 29.1 | 176.4 | -71.9 | -169.5 | 177.2 | -165.1 | -0.2 | 115.2 | ||
| 600 | R | 37.7 | Very low | 45.9 | Very low | 237 Ų | 237 | 111.2 Ų | 111.2 | 89% | 0.894 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -9.9 | 177.4 | -106.5 | -177.7 | 179.1 | 173.1 | 1.2 | 114.9 | R598 | R598-R600 PolarHBondContact O-N 3.02Š|
| 601 | N | 32.2 | Very low | 45.7 | Very low | 146.667 Ų | 146.667 | 114.1 Ų | 114.1 | 78% | 0.784 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -144.7 | 123.8 | 171.9 | -63.9 | -18.5 | 0 | 0 | 0 | 112.8 | D603 | N601-D603 VanDerWaalsContact C-N 3.31Å; N601-D603 PolarHBondContact O-N 3.2Å |
| 602 | G | 30.7 | Very low | 46.1 | Very low | 80.6667 Ų | 80.6667 | 115.7 Ų | 115.7 | 83% | 0.832 | 58% | 0.578 | S | S | * | * | trans | -57.6 | 17.1 | 173 | 0 | 0 | 0 | 0 | 0 | 119.5 | M604 | G602-M604 PolarHBondContact O-N 2.95Å; G602-M604 VanDerWaalsContact O-N 3.14Å | ||
| 603 | D | 31.8 | Very low | 46.6 | Very low | 136.667 Ų | 136.667 | 116.6 Ų | 116.6 | 73% | 0.731 | 59% | 0.59 | S | S | * | * | trans | -95.2 | 104 | 178.1 | -84 | -33.9 | 0 | 0 | 0 | 112.1 | N601 N605 | N601-D603 VanDerWaalsContact C-N 3.31Å; N601-D603 PolarHBondContact O-N 3.2Å; D603-N605 PolarHBondContact O-N 3.11Å; D603-N605 VanDerWaalsContact O-N 3.1Å | ||
| 604 | M | 31.9 | Very low | 47.6 | Very low | 183 Ų | 183 | 116.4 Ų | 116.4 | 90% | 0.901 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 21.8 | -176.7 | -70.9 | -78.4 | -89.2 | 0 | 0 | 114.7 | G602 | G602-M604 PolarHBondContact O-N 2.95Å; G602-M604 VanDerWaalsContact O-N 3.14Å |
| 605 | N | 32.3 | Very low | 49.2 | Very low | 138.667 Ų | 138.667 | 111.8 Ų | 111.8 | 74% | 0.742 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 15.3 | -172.6 | -82.1 | -22.2 | 0 | 0 | 0 | 115.1 | D603 H607 | D603-N605 PolarHBondContact O-N 3.11Å; D603-N605 VanDerWaalsContact O-N 3.1Å; N605-H607 PolarHBondContact O-N 3.16Å |
| 606 | N | 31.7 | Very low | 51.1 | Low | 137 Ų | 137 | 110.5 Ų | 110.5 | 73% | 0.733 | 56% | 0.559 | S | S | * | * | trans | -92.4 | 102.2 | 172.5 | -75.6 | -4.7 | 0 | 0 | 0 | 110.5 | A608 | N606-A608 PolarHBondContact O-N 3.45Š| ||
| 607 | H | 38 | Very low | 53 | Low | 170.667 Ų | 170.667 | 106.1 Ų | 106.1 | 79% | 0.79 | 54% | 0.535 | S | S | * | . | trans | -56 | 140.4 | 167.6 | -72.7 | -87.7 | 0 | 0 | 0 | 110 | N605 E609 | N605-H607 PolarHBondContact O-N 3.16Å; H607-E609 PolarHBondContact O-N 3.01Å; H607-E609 VanDerWaalsContact O-N 3.1Å | ||
| 608 | A | 45.7 | Very low | 55.1 | Low | 52.6667 Ų | 52.6667 | 102.5 Ų | 102.5 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | trans | -60.6 | 107.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | S595 N606 I610 | S595-A608 WeakPolarHBondContact OG-CA 3.39Å; S595-A608 WeakPolarHBondContact OG-CB 3.22Å; N606-A608 PolarHBondContact O-N 3.45Å; A608-I610 VanDerWaalsContact C-N 3.33Å; A608-I610 PolarHBondContact O-N 3.49Å; A608-I610 VanDerWaalsContact O-N 3.11Å | ||
| 609 | E | 54.4 | Low | 57.6 | Low | 174.333 Ų | 174.333 | 91.9 Ų | 91.9 | 82% | 0.815 | 48% | 0.476 | S | S | * | . | trans | -74.9 | 93.7 | 175.4 | -98.7 | 177.2 | 167.9 | 0 | 0 | 109.1 | H607 D611 | H607-E609 PolarHBondContact O-N 3.01Å; H607-E609 VanDerWaalsContact O-N 3.1Å; E609-D611 PolarHBondContact O-N 3.09Å | ||
| 610 | I | 65.4 | Low | 60.1 | Low | 29.3333 Ų | 29.3333 | 82.1 Ų | 82.1 | 15% | 0.15 | 44% | 0.44 | C | S | . | . | trans | -61.3 | 130.9 | 164 | -64.3 | 174.5 | 0 | 0 | 0 | 107.9 | A608 Y612 M615 D680 | A608-I610 VanDerWaalsContact C-N 3.33Å; A608-I610 PolarHBondContact O-N 3.49Å; A608-I610 VanDerWaalsContact O-N 3.11Å; I610-Y612 VanDerWaalsContact C-N 3.32Å; I610-Y612 HydrophobicContact CB-CE1 4.23Å; I610-Y612 HydrophobicContact CB-CE2 4.22Å; I610-Y612 HydrophobicContact CG2-CD1 4.27Å; I610-Y612 HydrophobicContact CG2-CE1 4.04Å; I610-Y612 HydrophobicContact CG2-CG 4.4Å; I610-Y612 VanDerWaalsContact O-CD2 3.28Å; I610-Y612 WeakPolarHBondContact O-CD2 3.33Å; I610-Y612 VanDerWaalsContact O-CE2 3.27Å; I610-Y612 WeakPolarHBondContact O-CE2 3.39Å; I610-Y612 PolarHBondContact O-N 3.08Å; I610-M615 HydrophobicContact CB-CE 4.35Å; I610-M615 HydrophobicContact CG2-CE 3.23Å; I610-M615 HydrophobicContact CG2-SD 3.35Å; I610-M615 WeakPolarHBondContact CG2-SD 3.46Å; I610-D680 WeakPolarHBondContact CD1-OD2 3.37Å | ||
| 611 | D | 73.6 | Confident | 62.5 | Low | 79.6667 Ų | 79.6667 | 71.1 Ų | 71.1 | 43% | 0.426 | 40% | 0.4 | S | S | . | . | trans | -76.4 | 85 | 175.3 | -173.6 | -7.4 | 0 | 0 | 0 | 110.7 | E609 A613 S614 M615 | E609-D611 PolarHBondContact O-N 3.09Å; D611-A613 PolarHBondContact O-N 2.99Å; D611-A613 WeakPolarHBondContact OD1-CB 3.42Å; D611-A613 PolarHBondContact OD1-N 3.16Å; D611-A613 VanDerWaalsContact OD1-N 3.11Å; D611-S614 WeakPolarHBondContact CB-OG 3.29Å; D611-S614 VanDerWaalsContact CG-CB 3.46Å; D611-S614 PolarHBondContact O-N 3.22Å; D611-S614 PolarHBondContact O-OG 2.95Å; D611-S614 PolarHBondContact OD1-N 3.32Å; D611-S614 VanDerWaalsContact OD1-N 3.07Å; D611-S614 WeakPolarHBondContact OD2-CB 3.43Å; D611-M615 WeakPolarHBondContact O-CG 3.44Å; D611-M615 PolarHBondContact O-N 3.16Å; D611-M615 VanDerWaalsContact O-N 3.17Å | ||
| 612 | Y | 78.3 | Confident | 65.3 | Low | 41.3333 Ų | 41.3333 | 64.2 Ų | 64.2 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.2 | -25.2 | 177.8 | -61.8 | -73.2 | 0 | 0 | 0 | 113.2 | P519 K520 L523 I610 D616 V677 | P519-Y612 HydrophobicContact CB-CG 4.45Å; K520-Y612 HydrophobicContact CD-CE1 4.18Å; K520-Y612 WeakPolarHBondContact CE-OH 3.36Å; K520-Y612 HydrophobicContact CG-CD1 4.1Å; K520-Y612 HydrophobicContact CG-CE1 3.75Å; K520-Y612 HydrophobicContact CG-CE2 4.28Å; K520-Y612 HydrophobicContact CG-CG 4.46Å; K520-Y612 PolarHBondContact NZ-OH 3.2Å; L523-Y612 HydrophobicContact CD2-CD1 3.92Å; I610-Y612 VanDerWaalsContact C-N 3.32Å; I610-Y612 HydrophobicContact CB-CE1 4.23Å; I610-Y612 HydrophobicContact CB-CE2 4.22Å; I610-Y612 HydrophobicContact CG2-CD1 4.27Å; I610-Y612 HydrophobicContact CG2-CE1 4.04Å; I610-Y612 HydrophobicContact CG2-CG 4.4Å; I610-Y612 VanDerWaalsContact O-CD2 3.28Å; I610-Y612 WeakPolarHBondContact O-CD2 3.33Å; I610-Y612 VanDerWaalsContact O-CE2 3.27Å; I610-Y612 WeakPolarHBondContact O-CE2 3.39Å; I610-Y612 PolarHBondContact O-N 3.08Å; Y612-D616 VanDerWaalsContact O-CB 3.28Å; Y612-D616 WeakPolarHBondContact O-CB 3.37Å; Y612-D616 PolarHBondContact O-N 3.13Å; Y612-V677 HydrophobicContact CE1-CG1 4.23Å; Y612-V677 HydrophobicContact CE1-CG2 4.46Å |
| 613 | A | 78.7 | Confident | 68.1 | Low | 54 Ų | 54 | 60.5 Ų | 60.5 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.9 | -44.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | D611 M615 D616 A617 | D611-A613 PolarHBondContact O-N 2.99Å; D611-A613 WeakPolarHBondContact OD1-CB 3.42Å; D611-A613 PolarHBondContact OD1-N 3.16Å; D611-A613 VanDerWaalsContact OD1-N 3.11Å; A613-M615 VanDerWaalsContact C-N 3.28Å; A613-M615 PolarHBondContact O-N 3.2Å; A613-D616 PolarHBondContact O-N 3.03Å; A613-A617 WeakPolarHBondContact O-CB 3.36Å; A613-A617 PolarHBondContact O-N 3.13Å |
| 614 | S | 79.3 | Confident | 70.8 | Confident | 32.6667 Ų | 32.6667 | 55.1 Ų | 55.1 | 23% | 0.228 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 172.8 | 153.1 | 0 | 0 | 0 | 0 | 112.2 | D611 S618 | D611-S614 WeakPolarHBondContact CB-OG 3.29Å; D611-S614 VanDerWaalsContact CG-CB 3.46Å; D611-S614 PolarHBondContact O-N 3.22Å; D611-S614 PolarHBondContact O-OG 2.95Å; D611-S614 PolarHBondContact OD1-N 3.32Å; D611-S614 VanDerWaalsContact OD1-N 3.07Å; D611-S614 WeakPolarHBondContact OD2-CB 3.43Å; S614-S618 VanDerWaalsContact O-CB 3.31Å; S614-S618 WeakPolarHBondContact O-CB 3.35Å; S614-S618 PolarHBondContact O-N 3.15Å; S614-S618 PolarHBondContact O-OG 3.08Å |
| 615 | M | 83.8 | Confident | 73.6 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 174.4 | -67.2 | -176.9 | 104.8 | 0 | 0 | 112.1 | L523 L588 I592 I610 D611 A613 S618 M619 T673 V677 | L523-M615 HydrophobicContact CD1-CB 4.15Å; L523-M615 HydrophobicContact CD2-CB 4.01Å; L523-M615 HydrophobicContact CD2-CE 4.18Å; L523-M615 HydrophobicContact CD2-SD 4.3Å; L588-M615 HydrophobicContact CD1-CB 4.22Å; L588-M615 HydrophobicContact CD1-CE 4.03Å; L588-M615 HydrophobicContact CD1-CG 4.01Å; I592-M615 HydrophobicContact CD1-CE 4.28Å; I610-M615 HydrophobicContact CB-CE 4.35Å; I610-M615 HydrophobicContact CG2-CE 3.23Å; I610-M615 HydrophobicContact CG2-SD 3.35Å; I610-M615 WeakPolarHBondContact CG2-SD 3.46Å; D611-M615 WeakPolarHBondContact O-CG 3.44Å; D611-M615 PolarHBondContact O-N 3.16Å; D611-M615 VanDerWaalsContact O-N 3.17Å; A613-M615 VanDerWaalsContact C-N 3.28Å; A613-M615 PolarHBondContact O-N 3.2Å; M615-S618 PolarHBondContact O-N 3.02Å; M615-M619 VanDerWaalsContact O-CB 3.25Å; M615-M619 WeakPolarHBondContact O-CB 3.4Å; M615-M619 PolarHBondContact O-N 3.31Å; M615-T673 HydrophobicContact CE-CG2 3.36Å; M615-T673 VanDerWaalsContact CE-CG2 3.43Å; M615-V677 HydrophobicContact CE-CG2 4.11Å |
| 616 | D | 85 | Confident | 76.4 | Confident | 14.3333 Ų | 14.3333 | 39.8 Ų | 39.8 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 178 | -172.8 | 47.8 | 0 | 0 | 0 | 111.5 | L523 R526 Y612 A613 M619 T620 G1150 | L523-D616 HydrophobicContact CD1-CB 4.15Å; R526-D616 WeakPolarHBondContact CB-OD1 3.4Å; R526-D616 VanDerWaalsContact CG-OD1 3.31Å; R526-D616 WeakPolarHBondContact CG-OD1 3.25Å; R526-D616 IonicContact CZ-OD1 3.87Å; R526-D616 IonicContact CZ-OD2 2.83Å; R526-D616 IonicContact NE-OD1 3.43Å; R526-D616 PolarHBondContact NE-OD1 3.05Å; R526-D616 IonicContact NE-OD2 2.62Å; R526-D616 IonicContact NH2-OD1 2.72Å; R526-D616 PolarHBondContact NH2-OD1 3.2Å; R526-D616 IonicContact NH2-OD2 2.73Å; R526-D616 PolarHBondContact NH2-OD2 2.79Å; R526-D616 VanDerWaalsContact NH2-OD2 3.09Å; Y612-D616 VanDerWaalsContact O-CB 3.28Å; Y612-D616 WeakPolarHBondContact O-CB 3.37Å; Y612-D616 PolarHBondContact O-N 3.13Å; A613-D616 PolarHBondContact O-N 3.03Å; D616-M619 PolarHBondContact O-N 3.32Å; D616-T620 VanDerWaalsContact O-CB 3.27Å; D616-T620 WeakPolarHBondContact O-CB 3.36Å; D616-T620 PolarHBondContact O-N 3.21Å; D616-T620 PolarHBondContact O-OG1 3.16Å; D616-G1150 VanDerWaalsContact OD2-CA 3.24Å; D616-G1150 WeakPolarHBondContact OD2-CA 3.23Å; D616-G1150 PolarHBondContact OD2-N 3.17Å |
| 617 | A | 85.7 | Confident | 79 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A613 M619 T620 S621 S1153 | A613-A617 WeakPolarHBondContact O-CB 3.36Å; A613-A617 PolarHBondContact O-N 3.13Å; A617-M619 VanDerWaalsContact C-N 3.34Å; A617-M619 PolarHBondContact O-N 3.21Å; A617-T620 PolarHBondContact O-N 3.1Å; A617-S621 WeakPolarHBondContact O-CB 3.47Å; A617-S621 PolarHBondContact O-N 3.03Å; A617-S1153 VanDerWaalsContact CB-CB 3.49Å; A617-S1153 WeakPolarHBondContact CB-OG 3.19Å |
| 618 | S | 88 | Confident | 81.3 | Confident | 1.66667 Ų | 1.66667 | 30.9 Ų | 30.9 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | A584 R587 S614 M615 T620 S621 I622 | A584-S618 WeakPolarHBondContact O-CB 3.32Å; R587-S618 WeakPolarHBondContact CB-OG 3.35Å; S614-S618 VanDerWaalsContact O-CB 3.31Å; S614-S618 WeakPolarHBondContact O-CB 3.35Å; S614-S618 PolarHBondContact O-N 3.15Å; S614-S618 PolarHBondContact O-OG 3.08Å; M615-S618 PolarHBondContact O-N 3.02Å; S618-T620 VanDerWaalsContact C-N 3.35Å; S618-S621 PolarHBondContact O-N 3.04Å; S618-I622 VanDerWaalsContact O-CG1 3.32Å; S618-I622 WeakPolarHBondContact O-CG1 3.38Å; S618-I622 PolarHBondContact O-N 3.16Å; S618-I622 VanDerWaalsContact O-N 3.09Å |
| 619 | M | 88.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 178.9 | -163.2 | 60.2 | 66.8 | 0 | 0 | 112.3 | L523 R526 I527 L588 M615 D616 A617 I622 G623 M670 T673 | L523-M619 HydrophobicContact CD1-CB 4.4Å; R526-M619 HydrophobicContact CG-CB 4.09Å; R526-M619 HydrophobicContact CG-CG 3.92Å; I527-M619 HydrophobicContact CD1-CE 4.42Å; I527-M619 HydrophobicContact CG1-CE 4.03Å; I527-M619 HydrophobicContact CG1-CG 3.87Å; I527-M619 HydrophobicContact CG1-SD 4.13Å; L588-M619 HydrophobicContact CD1-CE 4.08Å; L588-M619 HydrophobicContact CD2-CE 4.35Å; M615-M619 VanDerWaalsContact O-CB 3.25Å; M615-M619 WeakPolarHBondContact O-CB 3.4Å; M615-M619 PolarHBondContact O-N 3.31Å; D616-M619 PolarHBondContact O-N 3.32Å; A617-M619 VanDerWaalsContact C-N 3.34Å; A617-M619 PolarHBondContact O-N 3.21Å; M619-I622 PolarHBondContact O-N 3.48Å; M619-G623 PolarHBondContact O-N 3.11Å; M619-M670 HydrophobicContact CE-CB 4.46Å; M619-M670 HydrophobicContact CE-CG 4.09Å; M619-M670 HydrophobicContact CE-SD 4.37Å; M619-M670 HydrophobicContact CG-CE 3.67Å; M619-M670 HydrophobicContact CG-SD 4.14Å; M619-M670 HydrophobicContact SD-CB 4.4Å; M619-M670 HydrophobicContact SD-CE 3.23Å; M619-M670 WeakPolarHBondContact SD-CE 3.45Å; M619-M670 HydrophobicContact SD-CG 3.62Å; M619-M670 WeakPolarHBondContact SD-CG 3.38Å; M619-M670 HydrophobicContact SD-SD 3.33Å; M619-T673 HydrophobicContact CE-CG2 4.01Å; M619-T673 VanDerWaalsContact CE-OG1 3.23Å; M619-T673 WeakPolarHBondContact CE-OG1 3.36Å |
| 620 | T | 88.5 | Confident | 85.1 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | 175.3 | -59 | 0 | 0 | 0 | 0 | 111 | R526 D616 A617 S618 I622 G623 M624 V1151 A1154 | R526-T620 VanDerWaalsContact CD-OG1 3.26Å; R526-T620 WeakPolarHBondContact CD-OG1 3.4Å; R526-T620 PolarHBondContact NE-OG1 3.07Å; D616-T620 VanDerWaalsContact O-CB 3.27Å; D616-T620 WeakPolarHBondContact O-CB 3.36Å; D616-T620 PolarHBondContact O-N 3.21Å; D616-T620 PolarHBondContact O-OG1 3.16Å; A617-T620 PolarHBondContact O-N 3.1Å; S618-T620 VanDerWaalsContact C-N 3.35Å; T620-I622 PolarHBondContact O-N 3.2Å; T620-G623 PolarHBondContact O-N 2.97Å; T620-M624 HydrophobicContact CG2-CE 3.3Å; T620-M624 HydrophobicContact CG2-CG 4.43Å; T620-M624 HydrophobicContact CG2-SD 3.96Å; T620-M624 VanDerWaalsContact O-CG 3.32Å; T620-M624 WeakPolarHBondContact O-CG 3.34Å; T620-M624 PolarHBondContact O-N 3.19Å; T620-V1151 HydrophobicContact CG2-CG2 4.12Å; T620-A1154 HydrophobicContact CG2-CB 4.31Å |
| 621 | S | 90 | Very high | 86.2 | Confident | 7.33333 Ų | 7.33333 | 21.4 Ų | 21.4 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | A617 S618 N625 | A617-S621 WeakPolarHBondContact O-CB 3.47Å; A617-S621 PolarHBondContact O-N 3.03Å; S618-S621 PolarHBondContact O-N 3.04Å; S621-N625 WeakPolarHBondContact O-CB 3.42Å; S621-N625 PolarHBondContact O-N 3.25Å; S621-N625 VanDerWaalsContact O-N 3.1Å; S621-N625 PolarHBondContact O-ND2 3.19Å; S621-N625 PolarHBondContact OG-ND2 3.48Å |
| 622 | I | 90.6 | Very high | 86.9 | Confident | 0.333333 Ų | 0.333333 | 18.7 Ų | 18.7 | 0% | 0.002 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.8 | -52.7 | 173.6 | -67.4 | 167.4 | 0 | 0 | 0 | 110.2 | A584 S618 M619 T620 M624 N625 V626 F666 L669 M670 | A584-I622 HydrophobicContact CB-CD1 4.33Å; A584-I622 HydrophobicContact CB-CG1 3.81Å; S618-I622 VanDerWaalsContact O-CG1 3.32Å; S618-I622 WeakPolarHBondContact O-CG1 3.38Å; S618-I622 PolarHBondContact O-N 3.16Å; S618-I622 VanDerWaalsContact O-N 3.09Å; M619-I622 PolarHBondContact O-N 3.48Å; T620-I622 PolarHBondContact O-N 3.2Å; I622-M624 VanDerWaalsContact C-N 3.31Å; I622-M624 PolarHBondContact O-N 3.26Å; I622-N625 PolarHBondContact O-N 3.06Å; I622-V626 HydrophobicContact CG2-CG2 4.24Å; I622-V626 WeakPolarHBondContact O-CG2 3.33Å; I622-V626 PolarHBondContact O-N 2.95Å; I622-V626 VanDerWaalsContact O-N 3.14Å; I622-F666 HydrophobicContact CD1-CD1 4.39Å; I622-F666 HydrophobicContact CD1-CE1 4.24Å; I622-F666 HydrophobicContact CG1-CD1 4.48Å; I622-F666 HydrophobicContact CG1-CE1 4.25Å; I622-F666 HydrophobicContact CG2-CD1 3.56Å; I622-F666 HydrophobicContact CG2-CE1 3.91Å; I622-F666 HydrophobicContact CG2-CG 4.22Å; I622-L669 HydrophobicContact CD1-CD2 4.22Å; I622-M670 HydrophobicContact CG2-SD 4.35Å |
| 623 | G | 89 | Confident | 87.3 | Confident | 4 Ų | 4 | 16.7 Ų | 16.7 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60 | -36.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | T533 M619 T620 | T533-G623 WeakPolarHBondContact CG2-O 3.42Å; M619-G623 PolarHBondContact O-N 3.11Å; T620-G623 PolarHBondContact O-N 2.97Å |
| 624 | M | 87.6 | Confident | 87.7 | Confident | 22.6667 Ų | 22.6667 | 16 Ų | 16 | 11% | 0.112 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -72.7 | -44.8 | 177.9 | -71.1 | 177.2 | -178.2 | 0 | 0 | 112.8 | T620 I622 V626 K627 T1070 V1071 E1074 V1151 | T620-M624 HydrophobicContact CG2-CE 3.3Å; T620-M624 HydrophobicContact CG2-CG 4.43Å; T620-M624 HydrophobicContact CG2-SD 3.96Å; T620-M624 VanDerWaalsContact O-CG 3.32Å; T620-M624 WeakPolarHBondContact O-CG 3.34Å; T620-M624 PolarHBondContact O-N 3.19Å; I622-M624 VanDerWaalsContact C-N 3.31Å; I622-M624 PolarHBondContact O-N 3.26Å; M624-V626 PolarHBondContact O-N 2.92Å; M624-K627 PolarHBondContact O-N 2.69Å; M624-T1070 HydrophobicContact CB-CG2 4.15Å; M624-T1070 WeakPolarHBondContact O-CG2 3.5Å; M624-V1071 HydrophobicContact SD-CB 4.3Å; M624-V1071 HydrophobicContact SD-CG1 4.21Å; M624-V1071 HydrophobicContact SD-CG2 3.95Å; M624-E1074 HydrophobicContact CE-CB 4.18Å; M624-E1074 HydrophobicContact CE-CG 3.63Å; M624-E1074 VanDerWaalsContact CE-CG 3.49Å; M624-E1074 HydrophobicContact CG-CG 4.36Å; M624-E1074 HydrophobicContact SD-CB 4.3Å; M624-E1074 HydrophobicContact SD-CG 4.22Å; M624-V1151 HydrophobicContact CE-CB 4.08Å; M624-V1151 HydrophobicContact CE-CG1 3.82Å; M624-V1151 HydrophobicContact CE-CG2 3.53Å |
| 625 | N | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -77 | -23.5 | -172.9 | -77.9 | -77.4 | 0 | 0 | 0 | 113.7 | H577 M581 S621 I622 K627 G628 L629 P1067 T1070 | H577-N625 HydrophobicContact CB-CB 4.36Å; H577-N625 PolarHBondContact ND1-OD1 3.13Å; H577-N625 VanDerWaalsContact ND1-OD1 3.15Å; M581-N625 HydrophobicContact CG-CB 3.54Å; M581-N625 VanDerWaalsContact CG-CB 3.5Å; M581-N625 VanDerWaalsContact SD-C 3.5Å; M581-N625 HydrophobicContact SD-CB 3.81Å; S621-N625 WeakPolarHBondContact O-CB 3.42Å; S621-N625 PolarHBondContact O-N 3.25Å; S621-N625 VanDerWaalsContact O-N 3.1Å; S621-N625 PolarHBondContact O-ND2 3.19Å; S621-N625 PolarHBondContact OG-ND2 3.48Å; I622-N625 PolarHBondContact O-N 3.06Å; N625-K627 VanDerWaalsContact C-N 3.28Å; N625-K627 PolarHBondContact O-N 3.15Å; N625-G628 PolarHBondContact O-N 3.23Å; N625-L629 WeakPolarHBondContact O-CB 3.34Å; N625-L629 PolarHBondContact O-N 2.87Å; N625-P1067 WeakPolarHBondContact OD1-CA 3.34Å; N625-T1070 PolarHBondContact OD1-OG1 3.48Å |
| 626 | V | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | I534 M581 I622 M624 L629 M630 F666 | I534-V626 HydrophobicContact CB-CG1 4.27Å; I534-V626 HydrophobicContact CD1-CB 4.3Å; I534-V626 HydrophobicContact CD1-CG1 4.18Å; I534-V626 HydrophobicContact CD1-CG2 3.73Å; I534-V626 HydrophobicContact CG1-CB 4.02Å; I534-V626 HydrophobicContact CG1-CG1 3.78Å; I534-V626 HydrophobicContact CG1-CG2 4Å; I534-V626 HydrophobicContact CG2-CG1 4.12Å; M581-V626 HydrophobicContact CE-CB 4.3Å; M581-V626 HydrophobicContact CE-CG2 3.34Å; M581-V626 HydrophobicContact SD-CB 4.45Å; M581-V626 HydrophobicContact SD-CG2 3.88Å; M581-V626 PolarHBondContact SD-N 3.42Å; I622-V626 HydrophobicContact CG2-CG2 4.24Å; I622-V626 WeakPolarHBondContact O-CG2 3.33Å; I622-V626 PolarHBondContact O-N 2.95Å; I622-V626 VanDerWaalsContact O-N 3.14Å; M624-V626 PolarHBondContact O-N 2.92Å; V626-L629 WeakPolarHBondContact O-CB 3.33Å; V626-L629 PolarHBondContact O-N 3.02Å; V626-M630 HydrophobicContact CG1-CE 4.28Å; V626-M630 HydrophobicContact CG1-CG 4.37Å; V626-M630 WeakPolarHBondContact O-CG 3.35Å; V626-M630 PolarHBondContact O-N 3.01Å; V626-F666 HydrophobicContact CG2-CD2 4.41Å |
| 627 | K | 86.6 | Confident | 88 | Confident | 110 Ų | 110 | 16.9 Ų | 16.9 | 48% | 0.478 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -64.1 | -49.3 | 178.3 | -174.3 | 176.2 | 178.7 | 178.9 | 0 | 111.5 | M624 N625 L629 M630 D631 | M624-K627 PolarHBondContact O-N 2.69Å; N625-K627 VanDerWaalsContact C-N 3.28Å; N625-K627 PolarHBondContact O-N 3.15Å; K627-L629 VanDerWaalsContact C-N 3.3Å; K627-L629 PolarHBondContact O-N 3.12Å; K627-M630 PolarHBondContact O-N 3.08Å; K627-M630 VanDerWaalsContact O-N 3.09Å; K627-D631 WeakPolarHBondContact CE-OD2 3.3Å; K627-D631 VanDerWaalsContact O-CG 3.29Å; K627-D631 PolarHBondContact O-N 3.1Å |
| 628 | G | 87.1 | Confident | 87.8 | Confident | 11.6667 Ų | 11.6667 | 17.7 Ų | 17.7 | 12% | 0.12 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.9 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N625 D631 C632 | N625-G628 PolarHBondContact O-N 3.23Å; G628-D631 PolarHBondContact O-N 3.13Å; G628-C632 WeakPolarHBondContact O-CB 3.49Å; G628-C632 PolarHBondContact O-N 3.07Å; G628-C632 PolarHBondContact O-SG 2.97Å |
| 629 | L | 90.9 | Very high | 87.4 | Confident | 0.333333 Ų | 0.333333 | 17.6 Ų | 17.6 | 0% | 0.002 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 173.5 | 177.7 | 63.9 | 0 | 0 | 0 | 112 | V574 H577 L578 M581 N625 V626 K627 D631 C632 V633 L662 L722 | V574-L629 HydrophobicContact CB-CD1 4.07Å; V574-L629 HydrophobicContact CG1-CD1 3.58Å; V574-L629 HydrophobicContact CG2-CD1 4.17Å; H577-L629 HydrophobicContact CB-CB 3.89Å; L578-L629 HydrophobicContact CB-CD1 4.41Å; L578-L629 HydrophobicContact CD1-CD2 4.31Å; M581-L629 HydrophobicContact CE-CD2 3.67Å; M581-L629 VanDerWaalsContact CE-CD2 3.5Å; M581-L629 HydrophobicContact SD-CB 4.2Å; M581-L629 HydrophobicContact SD-CD2 3.92Å; N625-L629 WeakPolarHBondContact O-CB 3.34Å; N625-L629 PolarHBondContact O-N 2.87Å; V626-L629 WeakPolarHBondContact O-CB 3.33Å; V626-L629 PolarHBondContact O-N 3.02Å; K627-L629 VanDerWaalsContact C-N 3.3Å; K627-L629 PolarHBondContact O-N 3.12Å; L629-D631 VanDerWaalsContact C-N 3.33Å; L629-D631 PolarHBondContact O-N 2.93Å; L629-C632 PolarHBondContact O-N 3.11Å; L629-V633 HydrophobicContact CD1-CG2 4.19Å; L629-V633 HydrophobicContact CG-CG2 4.48Å; L629-V633 WeakPolarHBondContact O-CG2 3.36Å; L629-V633 PolarHBondContact O-N 3.45Å; L629-L662 HydrophobicContact CD2-CD2 3.68Å; L629-L722 HydrophobicContact CD1-CD2 4.3Å; L629-L722 HydrophobicContact CD2-CD2 4.44Å |
| 630 | M | 89.6 | Confident | 86.9 | Confident | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.02 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 179.9 | -67.7 | -55.5 | 148.7 | 0 | 0 | 112 | A537 I541 V626 K627 C632 V633 R634 A659 S663 | A537-M630 HydrophobicContact CB-CB 4.17Å; A537-M630 HydrophobicContact CB-CG 3.85Å; I541-M630 HydrophobicContact CD1-SD 3.91Å; V626-M630 HydrophobicContact CG1-CE 4.28Å; V626-M630 HydrophobicContact CG1-CG 4.37Å; V626-M630 WeakPolarHBondContact O-CG 3.35Å; V626-M630 PolarHBondContact O-N 3.01Å; K627-M630 PolarHBondContact O-N 3.08Å; K627-M630 VanDerWaalsContact O-N 3.09Å; M630-C632 VanDerWaalsContact C-N 3.33Å; M630-C632 PolarHBondContact O-N 3.02Å; M630-V633 PolarHBondContact O-N 2.94Å; M630-R634 WeakPolarHBondContact O-CB 3.44Å; M630-R634 PolarHBondContact O-N 3.15Å; M630-A659 HydrophobicContact CE-CB 4.33Å; M630-A659 HydrophobicContact SD-CB 4.18Å; M630-S663 WeakPolarHBondContact CE-OG 3.33Å |
| 631 | D | 87.9 | Confident | 86.3 | Confident | 52 Ų | 52 | 21 Ų | 21 | 28% | 0.278 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 174.7 | -74.2 | -34.5 | 0 | 0 | 0 | 111.3 | I545 K627 G628 L629 R634 L635 | I545-D631 WeakPolarHBondContact CD1-O 3.1Å; K627-D631 WeakPolarHBondContact CE-OD2 3.3Å; K627-D631 VanDerWaalsContact O-CG 3.29Å; K627-D631 PolarHBondContact O-N 3.1Å; G628-D631 PolarHBondContact O-N 3.13Å; L629-D631 VanDerWaalsContact C-N 3.33Å; L629-D631 PolarHBondContact O-N 2.93Å; D631-R634 PolarHBondContact O-N 3.09Å; D631-R634 IonicContact OD1-CZ 3.06Å; D631-R634 IonicContact OD1-NE 3.16Å; D631-R634 IonicContact OD1-NH1 3.13Å; D631-R634 IonicContact OD1-NH2 2.9Å; D631-R634 PolarHBondContact OD1-NH2 3.05Å; D631-L635 WeakPolarHBondContact O-CB 3.38Å; D631-L635 PolarHBondContact O-N 3.12Å |
| 632 | C | 87.1 | Confident | 85.3 | Confident | 22.3333 Ų | 22.3333 | 21.2 Ų | 21.2 | 15% | 0.151 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.9 | -41.1 | 176.4 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | V574 G628 L629 M630 R634 L635 Y636 | V574-C632 HydrophobicContact CG2-CB 3.65Å; G628-C632 WeakPolarHBondContact O-CB 3.49Å; G628-C632 PolarHBondContact O-N 3.07Å; G628-C632 PolarHBondContact O-SG 2.97Å; L629-C632 PolarHBondContact O-N 3.11Å; M630-C632 VanDerWaalsContact C-N 3.33Å; M630-C632 PolarHBondContact O-N 3.02Å; C632-R634 VanDerWaalsContact C-N 3.33Å; C632-L635 PolarHBondContact O-N 3.1Å; C632-Y636 WeakPolarHBondContact O-CB 3.4Å; C632-Y636 PolarHBondContact O-N 3.15Å |
| 633 | V | 88.1 | Confident | 84.2 | Confident | 0.666667 Ų | 0.666667 | 24.3 Ų | 24.3 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | I541 V574 L629 M630 Y636 N637 L655 A659 L722 | I541-V633 HydrophobicContact CD1-CG1 4.39Å; V574-V633 HydrophobicContact CG1-CG2 4.47Å; V574-V633 HydrophobicContact CG2-CG2 3.7Å; L629-V633 HydrophobicContact CD1-CG2 4.19Å; L629-V633 HydrophobicContact CG-CG2 4.48Å; L629-V633 WeakPolarHBondContact O-CG2 3.36Å; L629-V633 PolarHBondContact O-N 3.45Å; M630-V633 PolarHBondContact O-N 2.94Å; V633-Y636 PolarHBondContact O-N 3.29Å; V633-N637 VanDerWaalsContact O-CB 3.29Å; V633-N637 WeakPolarHBondContact O-CB 3.21Å; V633-N637 PolarHBondContact O-N 3.26Å; V633-L655 HydrophobicContact CG1-CD2 4.27Å; V633-L655 HydrophobicContact CG1-CG 4.15Å; V633-A659 HydrophobicContact CB-CB 4.46Å; V633-A659 HydrophobicContact CG1-CB 3.92Å; V633-A659 HydrophobicContact CG2-CB 4.36Å; V633-L722 HydrophobicContact CG2-CD1 4.33Å; V633-L722 HydrophobicContact CG2-CD2 4.42Å |
| 634 | R | 87.6 | Confident | 83 | Confident | 40 Ų | 40 | 28 Ų | 28 | 15% | 0.151 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 178 | -174.1 | 176 | 62.2 | 161 | 0.6 | 111.4 | D540 K543 I545 M630 D631 C632 N637 Q638 | D540-R634 WeakPolarHBondContact O-CD 3.33Å; D540-R634 PolarHBondContact O-NH1 3.02Å; K543-R634 VanDerWaalsContact O-CD 3.26Å; K543-R634 WeakPolarHBondContact O-CD 3.31Å; K543-R634 PolarHBondContact O-NH1 3Å; I545-R634 HydrophobicContact CD1-CB 4.11Å; I545-R634 HydrophobicContact CD1-CG 4.07Å; I545-R634 HydrophobicContact CG1-CB 4.47Å; I545-R634 HydrophobicContact CG1-CG 3.96Å; I545-R634 VanDerWaalsContact CG1-CZ 3.46Å; M630-R634 WeakPolarHBondContact O-CB 3.44Å; M630-R634 PolarHBondContact O-N 3.15Å; D631-R634 PolarHBondContact O-N 3.09Å; D631-R634 IonicContact OD1-CZ 3.06Å; D631-R634 IonicContact OD1-NE 3.16Å; D631-R634 IonicContact OD1-NH1 3.13Å; D631-R634 IonicContact OD1-NH2 2.9Å; D631-R634 PolarHBondContact OD1-NH2 3.05Å; C632-R634 VanDerWaalsContact C-N 3.33Å; R634-N637 PolarHBondContact O-N 2.73Å; R634-Q638 WeakPolarHBondContact O-CB 3.4Å; R634-Q638 PolarHBondContact O-N 3.16Å |
| 635 | L | 85.4 | Confident | 81.6 | Confident | 26.6667 Ų | 26.6667 | 31.6 Ų | 31.6 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 173.8 | -175.7 | 55.9 | 0 | 0 | 0 | 111.9 | I545 Y546 T566 A570 D631 C632 Q638 L639 | I545-L635 HydrophobicContact CD1-CB 3.59Å; I545-L635 HydrophobicContact CD1-CD1 4.28Å; I545-L635 HydrophobicContact CD1-CG 4.42Å; Y546-L635 HydrophobicContact CD2-CD1 4.48Å; Y546-L635 HydrophobicContact CE2-CD1 3.7Å; T566-L635 HydrophobicContact CG2-CD1 4.17Å; T566-L635 HydrophobicContact CG2-CD2 3.91Å; T566-L635 HydrophobicContact CG2-CG 4.28Å; A570-L635 HydrophobicContact CB-CB 4.14Å; A570-L635 HydrophobicContact CB-CD2 3.94Å; A570-L635 HydrophobicContact CB-CG 3.92Å; D631-L635 WeakPolarHBondContact O-CB 3.38Å; D631-L635 PolarHBondContact O-N 3.12Å; C632-L635 PolarHBondContact O-N 3.1Å; L635-Q638 PolarHBondContact O-N 3.25Å; L635-L639 HydrophobicContact CD1-CD1 3.88Å; L635-L639 HydrophobicContact CD1-CG 4.26Å; L635-L639 HydrophobicContact CG-CD1 4.04Å; L635-L639 WeakPolarHBondContact O-CB 3.34Å; L635-L639 VanDerWaalsContact O-CG 3.3Å; L635-L639 WeakPolarHBondContact O-CG 3.37Å; L635-L639 PolarHBondContact O-N 3.15Å |
| 636 | Y | 85.9 | Confident | 79.6 | Confident | 20.3333 Ų | 20.3333 | 39.7 Ų | 39.7 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 178 | -175.5 | -81.6 | 0 | 0 | 0 | 111 | L567 R571 C632 V633 Q638 L639 D640 L655 I726 | L567-Y636 HydrophobicContact CD2-CD2 4.15Å; L567-Y636 HydrophobicContact CD2-CE2 3.67Å; L567-Y636 HydrophobicContact CG-CD2 4.06Å; L567-Y636 HydrophobicContact CG-CE2 4.01Å; R571-Y636 HydrophobicContact CB-CD2 4.1Å; R571-Y636 HydrophobicContact CB-CE2 4.09Å; C632-Y636 WeakPolarHBondContact O-CB 3.4Å; C632-Y636 PolarHBondContact O-N 3.15Å; V633-Y636 PolarHBondContact O-N 3.29Å; Y636-Q638 VanDerWaalsContact C-N 3.34Å; Y636-Q638 PolarHBondContact O-N 3.33Å; Y636-L639 PolarHBondContact O-N 2.91Å; Y636-D640 HydrophobicContact CD1-CB 4.29Å; Y636-D640 HydrophobicContact CE1-CB 4.07Å; Y636-D640 VanDerWaalsContact O-CB 3.29Å; Y636-D640 WeakPolarHBondContact O-CB 3.42Å; Y636-D640 PolarHBondContact O-N 3.05Å; Y636-L655 HydrophobicContact CD1-CD2 3.47Å; Y636-L655 VanDerWaalsContact CD1-CD2 3.5Å; Y636-L655 HydrophobicContact CE1-CD2 3.98Å; Y636-L655 HydrophobicContact CG-CD2 4.17Å; Y636-I726 HydrophobicContact CD2-CG2 4.34Å; Y636-I726 HydrophobicContact CE1-CG1 4.27Å; Y636-I726 HydrophobicContact CE2-CG2 4.04Å |
| 637 | N | 83 | Confident | 77.5 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 178.7 | -173.8 | 62.7 | 0 | 0 | 0 | 111.2 | V633 R634 L639 D640 T641 K652 L655 K656 | V633-N637 VanDerWaalsContact O-CB 3.29Å; V633-N637 WeakPolarHBondContact O-CB 3.21Å; V633-N637 PolarHBondContact O-N 3.26Å; R634-N637 PolarHBondContact O-N 2.73Å; N637-L639 VanDerWaalsContact C-N 3.34Å; N637-L639 PolarHBondContact O-N 3.22Å; N637-D640 PolarHBondContact O-N 3.16Å; N637-T641 WeakPolarHBondContact O-CB 3.31Å; N637-T641 VanDerWaalsContact O-CG2 3.24Å; N637-T641 WeakPolarHBondContact O-CG2 3.31Å; N637-T641 PolarHBondContact O-N 3.01Å; N637-T641 VanDerWaalsContact O-N 3.12Å; N637-T641 PolarHBondContact O-OG1 3.21Å; N637-K652 PolarHBondContact ND2-O 2.96Å; N637-L655 HydrophobicContact CB-CD2 4.2Å; N637-K656 HydrophobicContact CB-CG 4.44Å; N637-K656 WeakPolarHBondContact ND2-CE 3.31Å; N637-K656 WeakPolarHBondContact OD1-CE 3.29Å |
| 638 | Q | 81.6 | Confident | 75.6 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 178.2 | -170.3 | 167.4 | 20 | 0 | 0 | 111.8 | Y546 L552 R634 L635 Y636 T641 V642 | Y546-Q638 PolarHBondContact O-NE2 3.32Å; L552-Q638 HydrophobicContact CD1-CG 4.08Å; L552-Q638 VanDerWaalsContact CD1-NE2 3.3Å; L552-Q638 HydrophobicContact CD2-CG 4.32Å; R634-Q638 WeakPolarHBondContact O-CB 3.4Å; R634-Q638 PolarHBondContact O-N 3.16Å; L635-Q638 PolarHBondContact O-N 3.25Å; Y636-Q638 VanDerWaalsContact C-N 3.34Å; Y636-Q638 PolarHBondContact O-N 3.33Å; Q638-T641 PolarHBondContact O-OG1 2.89Å; Q638-V642 WeakPolarHBondContact O-CG2 3.42Å |
| 639 | L | 79.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -75.9 | -38.6 | -179.8 | -67.5 | 172.3 | 0 | 0 | 0 | 113.7 | L552 W562 R563 T566 L567 L635 Y636 N637 T641 V642 N643 | L552-L639 HydrophobicContact CD2-CD2 3.8Å; W562-L639 HydrophobicContact CH2-CD2 4.31Å; W562-L639 HydrophobicContact CZ3-CD2 4.1Å; R563-L639 HydrophobicContact CB-CD2 4.47Å; R563-L639 HydrophobicContact CG-CD2 4.07Å; T566-L639 HydrophobicContact CG2-CD1 3.63Å; L567-L639 HydrophobicContact CB-CB 4.29Å; L567-L639 HydrophobicContact CB-CD1 4.17Å; L567-L639 HydrophobicContact CD1-CB 4.28Å; L635-L639 HydrophobicContact CD1-CD1 3.88Å; L635-L639 HydrophobicContact CD1-CG 4.26Å; L635-L639 HydrophobicContact CG-CD1 4.04Å; L635-L639 WeakPolarHBondContact O-CB 3.34Å; L635-L639 VanDerWaalsContact O-CG 3.3Å; L635-L639 WeakPolarHBondContact O-CG 3.37Å; L635-L639 PolarHBondContact O-N 3.15Å; Y636-L639 PolarHBondContact O-N 2.91Å; N637-L639 VanDerWaalsContact C-N 3.34Å; N637-L639 PolarHBondContact O-N 3.22Å; L639-T641 VanDerWaalsContact C-N 3.31Å; L639-T641 PolarHBondContact O-N 3.47Å; L639-V642 PolarHBondContact O-N 3.14Å; L639-N643 PolarHBondContact O-N 2.9Å; L639-N643 VanDerWaalsContact O-N 3.11Å; L639-N643 PolarHBondContact O-ND2 2.99Å |
| 640 | D | 77.6 | Confident | 71.9 | Confident | 47.3333 Ų | 47.3333 | 50.3 Ų | 50.3 | 25% | 0.253 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 178.7 | -170.6 | 66.9 | 0 | 0 | 0 | 111.4 | L567 Y636 N637 V642 N643 N644 | L567-D640 HydrophobicContact CD1-CB 4.38Å; Y636-D640 HydrophobicContact CD1-CB 4.29Å; Y636-D640 HydrophobicContact CE1-CB 4.07Å; Y636-D640 VanDerWaalsContact O-CB 3.29Å; Y636-D640 WeakPolarHBondContact O-CB 3.42Å; Y636-D640 PolarHBondContact O-N 3.05Å; N637-D640 PolarHBondContact O-N 3.16Å; D640-V642 VanDerWaalsContact C-N 3.26Å; D640-V642 PolarHBondContact O-N 3.11Å; D640-V642 VanDerWaalsContact O-N 3.07Å; D640-N643 PolarHBondContact O-N 3.43Å; D640-N643 VanDerWaalsContact O-N 3.12Å; D640-N644 WeakPolarHBondContact O-CB 3.42Å; D640-N644 PolarHBondContact O-N 3.19Å; D640-N644 VanDerWaalsContact O-N 3.09Å; D640-N644 PolarHBondContact O-ND2 3.11Å; D640-N644 PolarHBondContact OD1-ND2 3.11Å; D640-N644 PolarHBondContact OD2-ND2 3.27Å |
| 641 | T | 74.4 | Confident | 70.3 | Confident | 26.6667 Ų | 26.6667 | 54.8 Ų | 54.8 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.8 | -29.7 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | N637 Q638 L639 D645 K652 | N637-T641 WeakPolarHBondContact O-CB 3.31Å; N637-T641 VanDerWaalsContact O-CG2 3.24Å; N637-T641 WeakPolarHBondContact O-CG2 3.31Å; N637-T641 PolarHBondContact O-N 3.01Å; N637-T641 VanDerWaalsContact O-N 3.12Å; N637-T641 PolarHBondContact O-OG1 3.21Å; Q638-T641 PolarHBondContact O-OG1 2.89Å; L639-T641 VanDerWaalsContact C-N 3.31Å; L639-T641 PolarHBondContact O-N 3.47Å; T641-D645 PolarHBondContact O-N 2.68Å; T641-K652 HydrophobicContact CG2-CD 4.06Å; T641-K652 HydrophobicContact CG2-CG 4.19Å; T641-K652 PolarHBondContact O-NZ 3Å |
| 642 | V | 70.2 | Confident | 68.7 | Low | 11.3333 Ų | 11.3333 | 56.3 Ų | 56.3 | 7% | 0.069 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -81.5 | -27.3 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | L552 Y553 Q638 L639 D640 | L552-V642 HydrophobicContact CB-CG2 4.44Å; Y553-V642 HydrophobicContact CD1-CG1 3.82Å; Y553-V642 HydrophobicContact CD1-CG2 4.41Å; Y553-V642 HydrophobicContact CE1-CB 4.35Å; Y553-V642 HydrophobicContact CE1-CG1 4.03Å; Y553-V642 HydrophobicContact CE1-CG2 3.96Å; Y553-V642 HydrophobicContact CE2-CG2 4.39Å; Y553-V642 HydrophobicContact CG-CG1 4.34Å; Q638-V642 WeakPolarHBondContact O-CG2 3.42Å; L639-V642 PolarHBondContact O-N 3.14Å; D640-V642 VanDerWaalsContact C-N 3.26Å; D640-V642 PolarHBondContact O-N 3.11Å; D640-V642 VanDerWaalsContact O-N 3.07Å |
| 643 | N | 67.8 | Low | 67.4 | Low | 66.3333 Ų | 66.3333 | 58.6 Ų | 58.6 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -81.3 | -32.6 | 177.2 | -68.6 | -22.9 | 0 | 0 | 0 | 112.5 | R563 L567 L639 D640 | R563-N643 PolarHBondContact NH1-OD1 2.96Å; L567-N643 WeakPolarHBondContact CD1-ND2 3.37Å; L639-N643 PolarHBondContact O-N 2.9Å; L639-N643 VanDerWaalsContact O-N 3.11Å; L639-N643 PolarHBondContact O-ND2 2.99Å; D640-N643 PolarHBondContact O-N 3.43Å; D640-N643 VanDerWaalsContact O-N 3.12Å |
| 644 | N | 64 | Low | 66.9 | Low | 82.3333 Ų | 82.3333 | 60 Ų | 60 | 44% | 0.44 | 35% | 0.345 | S | S | . | . | trans | -101.3 | 35 | -173.7 | -67 | -34.7 | 0 | 0 | 0 | 113.4 | D640 N646 | D640-N644 WeakPolarHBondContact O-CB 3.42Å; D640-N644 PolarHBondContact O-N 3.19Å; D640-N644 VanDerWaalsContact O-N 3.09Å; D640-N644 PolarHBondContact O-ND2 3.11Å; D640-N644 PolarHBondContact OD1-ND2 3.11Å; D640-N644 PolarHBondContact OD2-ND2 3.27Å; N644-N646 PolarHBondContact O-N 3.1Å | ||
| 645 | D | 56.4 | Low | 66.8 | Low | 97 Ų | 97 | 58.6 Ų | 58.6 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | trans | -62.9 | -11.7 | -178.4 | -106.7 | -5.5 | 0 | 0 | 0 | 114.2 | T641 G647 K652 | T641-D645 PolarHBondContact O-N 2.68Å; D645-G647 PolarHBondContact O-N 3.32Å; D645-K652 IonicContact OD1-NZ 3.12Å; D645-K652 PolarHBondContact OD1-NZ 3.13Å | ||
| 646 | N | 49.2 | Very low | 66.7 | Low | 169.667 Ų | 169.667 | 59.7 Ų | 59.7 | 91% | 0.907 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -101.6 | 57.5 | 177.3 | -73.8 | -41.7 | 0 | 0 | 0 | 113.8 | N644 | N644-N646 PolarHBondContact O-N 3.1Š|
| 647 | G | 46.4 | Very low | 66.7 | Low | 65.6667 Ų | 65.6667 | 64 Ų | 64 | 68% | 0.677 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 121.6 | 68 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | D645 | D645-G647 PolarHBondContact O-N 3.32Š|
| 648 | S | 48.2 | Very low | 66.9 | Low | 56 Ų | 56 | 63.3 Ų | 63.3 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | trans | -156.3 | 103 | 157.9 | -175.8 | 0 | 0 | 0 | 0 | 113.1 | V650 D651 | S648-V650 VanDerWaalsContact C-N 3.3Å; S648-V650 PolarHBondContact O-N 2.92Å; S648-V650 VanDerWaalsContact OG-CB 3.28Å; S648-V650 WeakPolarHBondContact OG-CB 3.13Å; S648-V650 PolarHBondContact OG-N 3.06Å; S648-D651 WeakPolarHBondContact CB-OD2 3.44Å; S648-D651 PolarHBondContact O-N 3.43Å; S648-D651 PolarHBondContact OG-N 2.89Å; S648-D651 PolarHBondContact OG-OD2 3.33Å; S648-D651 VanDerWaalsContact OG-OD2 3.07Å | ||
| 649 | V | 49.9 | Very low | 67.3 | Low | 118.333 Ų | 118.333 | 62.3 Ų | 62.3 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.5 | -15.8 | 168.6 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | D651 K652 T653 | V649-D651 VanDerWaalsContact C-N 3.34Å; V649-D651 PolarHBondContact O-N 2.85Å; V649-K652 PolarHBondContact O-N 3.13Å; V649-T653 PolarHBondContact O-N 3.03Å |
| 650 | V | 49.7 | Very low | 67.8 | Low | 105.333 Ų | 105.333 | 65.7 Ų | 65.7 | 64% | 0.638 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70.6 | -34.9 | -170.7 | -173 | 0 | 0 | 0 | 0 | 112.2 | S648 T653 S654 | S648-V650 VanDerWaalsContact C-N 3.3Å; S648-V650 PolarHBondContact O-N 2.92Å; S648-V650 VanDerWaalsContact OG-CB 3.28Å; S648-V650 WeakPolarHBondContact OG-CB 3.13Å; S648-V650 PolarHBondContact OG-N 3.06Å; V650-T653 PolarHBondContact O-N 2.89Å; V650-T653 VanDerWaalsContact O-N 3.08Å; V650-T653 PolarHBondContact O-OG1 3.1Å; V650-S654 PolarHBondContact O-N 3.37Å |
| 651 | D | 57.2 | Low | 68.4 | Low | 98.3333 Ų | 98.3333 | 65.4 Ų | 65.4 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -88.8 | -20.1 | -173.9 | -60.4 | -48.1 | 0 | 0 | 0 | 113.6 | S648 V649 T653 S654 L655 | S648-D651 WeakPolarHBondContact CB-OD2 3.44Å; S648-D651 PolarHBondContact O-N 3.43Å; S648-D651 PolarHBondContact OG-N 2.89Å; S648-D651 PolarHBondContact OG-OD2 3.33Å; S648-D651 VanDerWaalsContact OG-OD2 3.07Å; V649-D651 VanDerWaalsContact C-N 3.34Å; V649-D651 PolarHBondContact O-N 2.85Å; D651-T653 VanDerWaalsContact C-N 3.28Å; D651-T653 PolarHBondContact O-N 3.17Å; D651-T653 VanDerWaalsContact O-N 3.12Å; D651-S654 WeakPolarHBondContact CA-OG 3.41Å; D651-S654 WeakPolarHBondContact O-CB 3.17Å; D651-S654 PolarHBondContact O-N 3.03Å; D651-S654 PolarHBondContact O-OG 3.22Å; D651-S654 VanDerWaalsContact O-OG 3.07Å; D651-L655 PolarHBondContact O-N 2.9Å |
| 652 | K | 53.5 | Low | 69.2 | Low | 83.6667 Ų | 83.6667 | 64.1 Ų | 64.1 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.1 | -33.6 | 176.7 | -62.2 | -171.7 | 177.3 | -169.7 | 0 | 112.6 | N637 T641 D645 V649 | N637-K652 PolarHBondContact ND2-O 2.96Å; T641-K652 HydrophobicContact CG2-CD 4.06Å; T641-K652 HydrophobicContact CG2-CG 4.19Å; T641-K652 PolarHBondContact O-NZ 3Å; D645-K652 IonicContact OD1-NZ 3.12Å; D645-K652 PolarHBondContact OD1-NZ 3.13Å; V649-K652 PolarHBondContact O-N 3.13Å |
| 653 | T | 59.9 | Low | 70.2 | Confident | 71.6667 Ų | 71.6667 | 63.7 Ų | 63.7 | 44% | 0.44 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -82.6 | -25.7 | 177.6 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | V649 V650 D651 L655 Q657 | V649-T653 PolarHBondContact O-N 3.03Å; V650-T653 PolarHBondContact O-N 2.89Å; V650-T653 VanDerWaalsContact O-N 3.08Å; V650-T653 PolarHBondContact O-OG1 3.1Å; D651-T653 VanDerWaalsContact C-N 3.28Å; D651-T653 PolarHBondContact O-N 3.17Å; D651-T653 VanDerWaalsContact O-N 3.12Å; T653-L655 PolarHBondContact O-N 2.67Å; T653-Q657 WeakPolarHBondContact O-CB 3.35Å; T653-Q657 VanDerWaalsContact O-CD 3.24Å; T653-Q657 WeakPolarHBondContact O-CG 3.41Å; T653-Q657 PolarHBondContact O-N 3.23Å; T653-Q657 VanDerWaalsContact O-N 3.11Å; T653-Q657 PolarHBondContact O-OE1 3.32Å |
| 654 | S | 77 | Confident | 71.3 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.3 | -41.4 | -172.4 | 69 | 0 | 0 | 0 | 0 | 112.6 | V650 D651 Q657 A658 L725 | V650-S654 PolarHBondContact O-N 3.37Å; D651-S654 WeakPolarHBondContact CA-OG 3.41Å; D651-S654 WeakPolarHBondContact O-CB 3.17Å; D651-S654 PolarHBondContact O-N 3.03Å; D651-S654 PolarHBondContact O-OG 3.22Å; D651-S654 VanDerWaalsContact O-OG 3.07Å; S654-Q657 PolarHBondContact O-N 3.01Å; S654-A658 VanDerWaalsContact O-CB 3.31Å; S654-A658 WeakPolarHBondContact O-CB 3.36Å; S654-A658 PolarHBondContact O-N 3.07Å; S654-L725 WeakPolarHBondContact O-CD1 3.29Å |
| 655 | L | 84.9 | Confident | 72.7 | Confident | 10.6667 Ų | 10.6667 | 61.2 Ų | 61.2 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.2 | -45.9 | -177.4 | -173.9 | 69.7 | 0 | 0 | 0 | 112.4 | V633 Y636 N637 D651 T653 Q657 A658 A659 L722 L725 I726 | V633-L655 HydrophobicContact CG1-CD2 4.27Å; V633-L655 HydrophobicContact CG1-CG 4.15Å; Y636-L655 HydrophobicContact CD1-CD2 3.47Å; Y636-L655 VanDerWaalsContact CD1-CD2 3.5Å; Y636-L655 HydrophobicContact CE1-CD2 3.98Å; Y636-L655 HydrophobicContact CG-CD2 4.17Å; N637-L655 HydrophobicContact CB-CD2 4.2Å; D651-L655 PolarHBondContact O-N 2.9Å; T653-L655 PolarHBondContact O-N 2.67Å; L655-Q657 VanDerWaalsContact C-N 3.31Å; L655-Q657 PolarHBondContact O-N 3.24Å; L655-A658 PolarHBondContact O-N 3.11Å; L655-A659 PolarHBondContact O-N 3.01Å; L655-L722 HydrophobicContact CD1-CD1 3.61Å; L655-L722 HydrophobicContact CG-CD1 4.3Å; L655-L725 HydrophobicContact CD1-CB 3.98Å; L655-L725 HydrophobicContact CD1-CD1 4.31Å; L655-I726 HydrophobicContact CD1-CD1 3.98Å; L655-I726 HydrophobicContact CD1-CG1 3.57Å; L655-I726 HydrophobicContact CD2-CG1 4.45Å |
| 656 | K | 84.5 | Confident | 74.3 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 21% | 0.213 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 174.7 | -74.7 | -171.2 | 170.5 | -165.6 | 0 | 111.3 | I541 D542 N637 A658 A659 Q660 | I541-K656 WeakPolarHBondContact O-CE 3.48Å; I541-K656 PolarHBondContact O-NZ 2.89Å; I541-K656 VanDerWaalsContact O-NZ 3.15Å; D542-K656 IonicContact OD1-NZ 3.12Å; D542-K656 PolarHBondContact OD1-NZ 3.37Å; N637-K656 HydrophobicContact CB-CG 4.44Å; N637-K656 WeakPolarHBondContact ND2-CE 3.31Å; N637-K656 WeakPolarHBondContact OD1-CE 3.29Å; K656-A658 VanDerWaalsContact C-N 3.34Å; K656-A658 PolarHBondContact O-N 3.21Å; K656-A659 PolarHBondContact O-N 3.35Å; K656-Q660 WeakPolarHBondContact O-CB 3.23Å; K656-Q660 WeakPolarHBondContact O-CG 3.37Å; K656-Q660 PolarHBondContact O-N 2.8Å |
| 657 | Q | 86.1 | Confident | 76.3 | Confident | 112.667 Ų | 112.667 | 49 Ų | 49 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 176.2 | -74.3 | 170 | 4.5 | 0 | 0 | 112.2 | T653 S654 L655 Q660 A661 | T653-Q657 WeakPolarHBondContact O-CB 3.35Å; T653-Q657 VanDerWaalsContact O-CD 3.24Å; T653-Q657 WeakPolarHBondContact O-CG 3.41Å; T653-Q657 PolarHBondContact O-N 3.23Å; T653-Q657 VanDerWaalsContact O-N 3.11Å; T653-Q657 PolarHBondContact O-OE1 3.32Å; S654-Q657 PolarHBondContact O-N 3.01Å; L655-Q657 VanDerWaalsContact C-N 3.31Å; L655-Q657 PolarHBondContact O-N 3.24Å; Q657-Q660 PolarHBondContact O-N 3.19Å; Q657-A661 VanDerWaalsContact O-CB 3.25Å; Q657-A661 WeakPolarHBondContact O-CB 3.38Å; Q657-A661 PolarHBondContact O-N 3.15Å |
| 658 | A | 87.7 | Confident | 78.4 | Confident | 6.66667 Ų | 6.66667 | 48.3 Ų | 48.3 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | S654 L655 K656 A661 L662 L722 L725 | S654-A658 VanDerWaalsContact O-CB 3.31Å; S654-A658 WeakPolarHBondContact O-CB 3.36Å; S654-A658 PolarHBondContact O-N 3.07Å; L655-A658 PolarHBondContact O-N 3.11Å; K656-A658 VanDerWaalsContact C-N 3.34Å; K656-A658 PolarHBondContact O-N 3.21Å; A658-A661 PolarHBondContact O-N 3.15Å; A658-L662 VanDerWaalsContact O-CB 3.28Å; A658-L662 WeakPolarHBondContact O-CB 3.36Å; A658-L662 PolarHBondContact O-N 3.21Å; A658-L722 HydrophobicContact CB-CB 4.4Å; A658-L722 HydrophobicContact CB-CD1 4.11Å; A658-L725 HydrophobicContact CB-CD1 3.69Å |
| 659 | A | 89.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I541 M630 V633 L655 K656 L662 S663 L722 | I541-A659 HydrophobicContact CD1-CB 3.8Å; M630-A659 HydrophobicContact CE-CB 4.33Å; M630-A659 HydrophobicContact SD-CB 4.18Å; V633-A659 HydrophobicContact CB-CB 4.46Å; V633-A659 HydrophobicContact CG1-CB 3.92Å; V633-A659 HydrophobicContact CG2-CB 4.36Å; L655-A659 PolarHBondContact O-N 3.01Å; K656-A659 PolarHBondContact O-N 3.35Å; A659-L662 WeakPolarHBondContact O-CB 3.41Å; A659-L662 PolarHBondContact O-N 3.33Å; A659-S663 PolarHBondContact O-N 3Å; A659-S663 PolarHBondContact O-OG 3.44Å; A659-S663 VanDerWaalsContact O-OG 3.09Å; A659-L722 HydrophobicContact CB-CD1 4.34Å |
| 660 | Q | 89.2 | Confident | 82.1 | Confident | 71 Ų | 71 | 40.1 Ų | 40.1 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.5 | -47 | 172.6 | -74.6 | 174.3 | -14.2 | 0 | 0 | 111.6 | K656 Q657 L662 S663 D664 | K656-Q660 WeakPolarHBondContact O-CB 3.23Å; K656-Q660 WeakPolarHBondContact O-CG 3.37Å; K656-Q660 PolarHBondContact O-N 2.8Å; Q657-Q660 PolarHBondContact O-N 3.19Å; Q660-L662 VanDerWaalsContact C-N 3.27Å; Q660-L662 PolarHBondContact O-N 3.18Å; Q660-S663 WeakPolarHBondContact O-CA 3.47Å; Q660-S663 WeakPolarHBondContact O-CB 3.45Å; Q660-S663 PolarHBondContact O-N 3.04Å; Q660-S663 VanDerWaalsContact O-N 3.11Å; Q660-D664 PolarHBondContact O-N 3.06Å |
| 661 | A | 91.1 | Very high | 83.8 | Confident | 41.3333 Ų | 41.3333 | 40.9 Ų | 40.9 | 34% | 0.342 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q657 A658 A665 | Q657-A661 VanDerWaalsContact O-CB 3.25Å; Q657-A661 WeakPolarHBondContact O-CB 3.38Å; Q657-A661 PolarHBondContact O-N 3.15Å; A658-A661 PolarHBondContact O-N 3.15Å; A661-A665 WeakPolarHBondContact O-CB 3.32Å; A661-A665 PolarHBondContact O-N 3.04Å |
| 662 | L | 91.5 | Very high | 85 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 172.8 | -179.6 | 63.5 | 0 | 0 | 0 | 111.6 | L578 L629 A658 A659 Q660 A665 F666 V715 A718 S719 L722 | L578-L662 HydrophobicContact CD1-CD1 4.45Å; L578-L662 HydrophobicContact CD1-CD2 3.59Å; L629-L662 HydrophobicContact CD2-CD2 3.68Å; A658-L662 VanDerWaalsContact O-CB 3.28Å; A658-L662 WeakPolarHBondContact O-CB 3.36Å; A658-L662 PolarHBondContact O-N 3.21Å; A659-L662 WeakPolarHBondContact O-CB 3.41Å; A659-L662 PolarHBondContact O-N 3.33Å; Q660-L662 VanDerWaalsContact C-N 3.27Å; Q660-L662 PolarHBondContact O-N 3.18Å; L662-A665 WeakPolarHBondContact O-CB 3.48Å; L662-A665 PolarHBondContact O-N 3.08Å; L662-F666 HydrophobicContact CD1-CD2 3.99Å; L662-F666 HydrophobicContact CD1-CE2 3.47Å; L662-F666 VanDerWaalsContact CD1-CE2 3.46Å; L662-F666 HydrophobicContact CD1-CZ 4.39Å; L662-F666 HydrophobicContact CD2-CE2 4.28Å; L662-F666 HydrophobicContact CG-CD2 3.95Å; L662-F666 HydrophobicContact CG-CE2 3.69Å; L662-F666 WeakPolarHBondContact O-CD2 3.31Å; L662-F666 PolarHBondContact O-N 3.28Å; L662-V715 HydrophobicContact CD1-CG1 4.44Å; L662-A718 HydrophobicContact CB-CB 4.11Å; L662-A718 HydrophobicContact CD1-CB 3.91Å; L662-S719 WeakPolarHBondContact CD1-OG 3.46Å; L662-L722 HydrophobicContact CD2-CD2 3.65Å |
| 663 | S | 90.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 175.5 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | C538 M630 A659 Q660 A665 F666 L667 | C538-S663 WeakPolarHBondContact SG-CB 3.47Å; C538-S663 PolarHBondContact SG-OG 3.06Å; C538-S663 VanDerWaalsContact SG-OG 3.36Å; M630-S663 WeakPolarHBondContact CE-OG 3.33Å; A659-S663 PolarHBondContact O-N 3Å; A659-S663 PolarHBondContact O-OG 3.44Å; A659-S663 VanDerWaalsContact O-OG 3.09Å; Q660-S663 WeakPolarHBondContact O-CA 3.47Å; Q660-S663 WeakPolarHBondContact O-CB 3.45Å; Q660-S663 PolarHBondContact O-N 3.04Å; Q660-S663 VanDerWaalsContact O-N 3.11Å; S663-A665 VanDerWaalsContact C-N 3.33Å; S663-A665 PolarHBondContact O-N 3.24Å; S663-F666 CarbonylContact O-C 3.2Å; S663-F666 PolarHBondContact O-N 2.97Å; S663-L667 WeakPolarHBondContact O-CG 3.43Å; S663-L667 PolarHBondContact O-N 3.2Å |
| 664 | D | 91.7 | Very high | 86.8 | Confident | 91 Ų | 91 | 34.6 Ų | 34.6 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.8 | -76.8 | -28.4 | 0 | 0 | 0 | 111.4 | Q660 F666 L667 D668 | Q660-D664 PolarHBondContact O-N 3.06Å; D664-F666 VanDerWaalsContact C-N 3.33Å; D664-F666 PolarHBondContact O-N 2.96Å; D664-L667 PolarHBondContact O-N 3.1Å; D664-D668 WeakPolarHBondContact O-CB 3.45Å; D664-D668 PolarHBondContact O-N 3.24Å |
| 665 | A | 91.9 | Very high | 86.3 | Confident | 6.66667 Ų | 6.66667 | 35.7 Ų | 35.7 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A661 L662 S663 D668 L669 R714 V715 A718 | A661-A665 WeakPolarHBondContact O-CB 3.32Å; A661-A665 PolarHBondContact O-N 3.04Å; L662-A665 WeakPolarHBondContact O-CB 3.48Å; L662-A665 PolarHBondContact O-N 3.08Å; S663-A665 VanDerWaalsContact C-N 3.33Å; S663-A665 PolarHBondContact O-N 3.24Å; A665-D668 PolarHBondContact O-N 3.4Å; A665-L669 WeakPolarHBondContact O-CB 3.45Å; A665-L669 PolarHBondContact O-N 2.84Å; A665-R714 HydrophobicContact CB-CB 4.13Å; A665-V715 HydrophobicContact CB-CB 4.47Å; A665-V715 HydrophobicContact CB-CG2 3.78Å; A665-A718 HydrophobicContact CB-CB 4.47Å |
| 666 | F | 91.4 | Very high | 85.4 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68 | -40.4 | 172.5 | -80.3 | -67.4 | 0 | 0 | 0 | 112.6 | I534 M581 T585 I622 V626 L662 S663 D664 D668 L669 M670 V715 | I534-F666 HydrophobicContact CD1-CB 3.76Å; M581-F666 HydrophobicContact CB-CE1 4.25Å; M581-F666 HydrophobicContact CB-CE2 4.47Å; M581-F666 HydrophobicContact CB-CZ 3.72Å; M581-F666 HydrophobicContact CE-CD2 3.7Å; M581-F666 HydrophobicContact CE-CE1 4.29Å; M581-F666 HydrophobicContact CE-CE2 3.08Å; M581-F666 HydrophobicContact CE-CG 4.38Å; M581-F666 HydrophobicContact CE-CZ 3.44Å; M581-F666 VanDerWaalsContact CE-CZ 3.5Å; T585-F666 WeakPolarHBondContact OG1-CE1 3.2Å; I622-F666 HydrophobicContact CD1-CD1 4.39Å; I622-F666 HydrophobicContact CD1-CE1 4.24Å; I622-F666 HydrophobicContact CG1-CD1 4.48Å; I622-F666 HydrophobicContact CG1-CE1 4.25Å; I622-F666 HydrophobicContact CG2-CD1 3.56Å; I622-F666 HydrophobicContact CG2-CE1 3.91Å; I622-F666 HydrophobicContact CG2-CG 4.22Å; V626-F666 HydrophobicContact CG2-CD2 4.41Å; L662-F666 HydrophobicContact CD1-CD2 3.99Å; L662-F666 HydrophobicContact CD1-CE2 3.47Å; L662-F666 VanDerWaalsContact CD1-CE2 3.46Å; L662-F666 HydrophobicContact CD1-CZ 4.39Å; L662-F666 HydrophobicContact CD2-CE2 4.28Å; L662-F666 HydrophobicContact CG-CD2 3.95Å; L662-F666 HydrophobicContact CG-CE2 3.69Å; L662-F666 WeakPolarHBondContact O-CD2 3.31Å; L662-F666 PolarHBondContact O-N 3.28Å; S663-F666 CarbonylContact O-C 3.2Å; S663-F666 PolarHBondContact O-N 2.97Å; D664-F666 VanDerWaalsContact C-N 3.33Å; D664-F666 PolarHBondContact O-N 2.96Å; F666-D668 VanDerWaalsContact C-N 3.32Å; F666-D668 PolarHBondContact O-N 3.32Å; F666-L669 HydrophobicContact CD1-CD2 4.26Å; F666-L669 WeakPolarHBondContact O-CB 3.32Å; F666-L669 PolarHBondContact O-N 3.34Å; F666-L669 VanDerWaalsContact O-N 3.15Å; F666-M670 WeakPolarHBondContact O-CG 3.4Å; F666-M670 PolarHBondContact O-N 3.27Å; F666-V715 HydrophobicContact CD1-CG1 4.28Å; F666-V715 HydrophobicContact CD1-CG2 4.03Å; F666-V715 HydrophobicContact CE1-CB 4.46Å; F666-V715 HydrophobicContact CE1-CG1 3.57Å; F666-V715 VanDerWaalsContact CE1-CG1 3.47Å; F666-V715 HydrophobicContact CE1-CG2 4.14Å; F666-V715 HydrophobicContact CE2-CG1 3.89Å; F666-V715 HydrophobicContact CG-CG2 4.26Å; F666-V715 HydrophobicContact CZ-CG1 3.32Å; F666-V715 HydrophobicContact CZ-CG2 4.45Å |
| 667 | L | 90.8 | Very high | 84.4 | Confident | 8.66667 Ų | 8.66667 | 34.4 Ų | 34.4 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 175 | -72.3 | 174.5 | 0 | 0 | 0 | 111.3 | V531 I534 Q535 S663 D664 M670 R671 | V531-L667 HydrophobicContact CB-CD2 4.29Å; V531-L667 HydrophobicContact CG1-CD2 4.04Å; V531-L667 HydrophobicContact CG2-CD2 4.2Å; I534-L667 HydrophobicContact CB-CD2 4.04Å; I534-L667 HydrophobicContact CB-CG 4.48Å; I534-L667 HydrophobicContact CG2-CD1 4.3Å; I534-L667 HydrophobicContact CG2-CD2 4.04Å; I534-L667 HydrophobicContact CG2-CG 3.95Å; Q535-L667 HydrophobicContact CG-CD1 4.37Å; Q535-L667 HydrophobicContact CG-CD2 4.42Å; S663-L667 WeakPolarHBondContact O-CG 3.43Å; S663-L667 PolarHBondContact O-N 3.2Å; D664-L667 PolarHBondContact O-N 3.1Å; L667-M670 HydrophobicContact CD2-CE 3.84Å; L667-M670 PolarHBondContact O-N 3.23Å; L667-R671 WeakPolarHBondContact O-CB 3.42Å; L667-R671 WeakPolarHBondContact O-CD 3.32Å; L667-R671 VanDerWaalsContact O-CG 3.23Å; L667-R671 WeakPolarHBondContact O-CG 3.35Å; L667-R671 PolarHBondContact O-N 3.03Å |
| 668 | D | 89.8 | Confident | 83 | Confident | 52.3333 Ų | 52.3333 | 31.8 Ų | 31.8 | 28% | 0.28 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 173.9 | -81.9 | -0.8 | 0 | 0 | 0 | 111.9 | D664 A665 F666 M670 R671 T672 R714 | D664-D668 WeakPolarHBondContact O-CB 3.45Å; D664-D668 PolarHBondContact O-N 3.24Å; A665-D668 PolarHBondContact O-N 3.4Å; F666-D668 VanDerWaalsContact C-N 3.32Å; F666-D668 PolarHBondContact O-N 3.32Å; D668-M670 VanDerWaalsContact C-N 3.34Å; D668-M670 PolarHBondContact O-N 2.86Å; D668-R671 PolarHBondContact O-N 3.12Å; D668-R671 IonicContact OD1-CZ 3.61Å; D668-R671 IonicContact OD1-NH1 3.48Å; D668-R671 PolarHBondContact OD1-NH1 3.09Å; D668-T672 WeakPolarHBondContact O-CB 3.41Å; D668-T672 VanDerWaalsContact O-CG2 3.3Å; D668-T672 WeakPolarHBondContact O-CG2 3.25Å; D668-T672 PolarHBondContact O-N 3.06Å; D668-T672 PolarHBondContact O-OG1 3.19Å; D668-R714 IonicContact OD2-NH1 3.13Å; D668-R714 PolarHBondContact OD2-NH1 3.29Å |
| 669 | L | 89.3 | Confident | 81.4 | Confident | 1.33333 Ų | 1.33333 | 36.6 Ų | 36.6 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 172.8 | -176.7 | 70.6 | 0 | 0 | 0 | 111.4 | T585 L588 I622 A665 F666 R671 T672 T673 L708 A711 A712 V715 | T585-L669 HydrophobicContact CG2-CD2 3.83Å; L588-L669 HydrophobicContact CD2-CD1 4.33Å; L588-L669 HydrophobicContact CD2-CD2 4.15Å; L588-L669 HydrophobicContact CD2-CG 4.14Å; I622-L669 HydrophobicContact CD1-CD2 4.22Å; A665-L669 WeakPolarHBondContact O-CB 3.45Å; A665-L669 PolarHBondContact O-N 2.84Å; F666-L669 HydrophobicContact CD1-CD2 4.26Å; F666-L669 WeakPolarHBondContact O-CB 3.32Å; F666-L669 PolarHBondContact O-N 3.34Å; F666-L669 VanDerWaalsContact O-N 3.15Å; L669-R671 VanDerWaalsContact C-N 3.35Å; L669-R671 PolarHBondContact O-N 3.37Å; L669-T672 WeakPolarHBondContact CA-OG1 3.27Å; L669-T672 PolarHBondContact O-N 3.44Å; L669-T672 PolarHBondContact O-OG1 3.12Å; L669-T672 VanDerWaalsContact O-OG1 3.06Å; L669-T673 WeakPolarHBondContact O-CB 3.24Å; L669-T673 PolarHBondContact O-N 3.25Å; L669-T673 PolarHBondContact O-OG1 3.24Å; L669-L708 HydrophobicContact CD1-CD1 3.75Å; L669-A711 HydrophobicContact CB-CB 4.38Å; L669-A711 HydrophobicContact CD1-CB 4.26Å; L669-A712 HydrophobicContact CD1-CB 3.89Å; L669-V715 HydrophobicContact CB-CG2 4.38Å; L669-V715 HydrophobicContact CD2-CG2 4.33Å |
| 670 | M | 86.9 | Confident | 79.4 | Confident | 0.333333 Ų | 0.333333 | 41.3 Ų | 41.3 | 0% | 0.002 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.6 | -64.3 | -141.9 | -58.7 | 0 | 0 | 112 | I527 V531 I534 M619 I622 F666 L667 D668 T673 F674 | I527-M670 HydrophobicContact CG2-CB 4.2Å; V531-M670 HydrophobicContact CB-CE 4.31Å; V531-M670 HydrophobicContact CG2-CB 4.18Å; V531-M670 HydrophobicContact CG2-CE 3.7Å; V531-M670 HydrophobicContact CG2-SD 4.26Å; I534-M670 HydrophobicContact CB-CE 4.46Å; I534-M670 HydrophobicContact CD1-CE 3.33Å; I534-M670 VanDerWaalsContact CD1-CE 3.42Å; I534-M670 HydrophobicContact CD1-SD 4.43Å; I534-M670 HydrophobicContact CG1-CE 3.93Å; M619-M670 HydrophobicContact CE-CB 4.46Å; M619-M670 HydrophobicContact CE-CG 4.09Å; M619-M670 HydrophobicContact CE-SD 4.37Å; M619-M670 HydrophobicContact CG-CE 3.67Å; M619-M670 HydrophobicContact CG-SD 4.14Å; M619-M670 HydrophobicContact SD-CB 4.4Å; M619-M670 HydrophobicContact SD-CE 3.23Å; M619-M670 WeakPolarHBondContact SD-CE 3.45Å; M619-M670 HydrophobicContact SD-CG 3.62Å; M619-M670 WeakPolarHBondContact SD-CG 3.38Å; M619-M670 HydrophobicContact SD-SD 3.33Å; I622-M670 HydrophobicContact CG2-SD 4.35Å; F666-M670 WeakPolarHBondContact O-CG 3.4Å; F666-M670 PolarHBondContact O-N 3.27Å; L667-M670 HydrophobicContact CD2-CE 3.84Å; L667-M670 PolarHBondContact O-N 3.23Å; D668-M670 VanDerWaalsContact C-N 3.34Å; D668-M670 PolarHBondContact O-N 2.86Å; M670-T673 VanDerWaalsContact C-OG1 3.23Å; M670-T673 VanDerWaalsContact CA-OG1 3.26Å; M670-T673 WeakPolarHBondContact CA-OG1 3.37Å; M670-T673 PolarHBondContact O-N 3.37Å; M670-T673 PolarHBondContact O-OG1 2.84Å; M670-F674 WeakPolarHBondContact O-CB 3.4Å; M670-F674 PolarHBondContact O-N 3.26Å |
| 671 | R | 85.7 | Confident | 77 | Confident | 120.667 Ų | 120.667 | 43 Ų | 43 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.3 | -39.4 | 177.8 | -71.1 | 166.1 | -175.9 | 157.1 | 1 | 112.8 | L667 D668 L669 F674 S675 | L667-R671 WeakPolarHBondContact O-CB 3.42Å; L667-R671 WeakPolarHBondContact O-CD 3.32Å; L667-R671 VanDerWaalsContact O-CG 3.23Å; L667-R671 WeakPolarHBondContact O-CG 3.35Å; L667-R671 PolarHBondContact O-N 3.03Å; D668-R671 PolarHBondContact O-N 3.12Å; D668-R671 IonicContact OD1-CZ 3.61Å; D668-R671 IonicContact OD1-NH1 3.48Å; D668-R671 PolarHBondContact OD1-NH1 3.09Å; L669-R671 VanDerWaalsContact C-N 3.35Å; L669-R671 PolarHBondContact O-N 3.37Å; R671-F674 WeakPolarHBondContact O-CB 3.39Å; R671-F674 PolarHBondContact O-N 3.38Å; R671-S675 PolarHBondContact O-N 3.02Å; R671-S675 PolarHBondContact O-OG 3.14Å |
| 672 | T | 82.3 | Confident | 74.4 | Confident | 32.3333 Ų | 32.3333 | 45.4 Ų | 45.4 | 20% | 0.198 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.2 | -39.2 | 175.3 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | D668 L669 F674 S675 S676 A707 L708 A711 | D668-T672 WeakPolarHBondContact O-CB 3.41Å; D668-T672 VanDerWaalsContact O-CG2 3.3Å; D668-T672 WeakPolarHBondContact O-CG2 3.25Å; D668-T672 PolarHBondContact O-N 3.06Å; D668-T672 PolarHBondContact O-OG1 3.19Å; L669-T672 WeakPolarHBondContact CA-OG1 3.27Å; L669-T672 PolarHBondContact O-N 3.44Å; L669-T672 PolarHBondContact O-OG1 3.12Å; L669-T672 VanDerWaalsContact O-OG1 3.06Å; T672-F674 VanDerWaalsContact C-N 3.33Å; T672-F674 PolarHBondContact O-N 3.12Å; T672-S675 PolarHBondContact O-N 3.1Å; T672-S676 WeakPolarHBondContact O-CB 3.5Å; T672-S676 PolarHBondContact O-N 3.13Å; T672-A707 HydrophobicContact CG2-CB 4.34Å; T672-L708 WeakPolarHBondContact OG1-CD1 3.38Å; T672-A711 HydrophobicContact CG2-CB 4.31Å |
| 673 | T | 77.5 | Confident | 71.8 | Confident | 1.33333 Ų | 1.33333 | 50.3 Ų | 50.3 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 170.3 | -30.3 | 0 | 0 | 0 | 0 | 111.8 | I527 M615 M619 L669 M670 S675 S676 V677 L708 | I527-T673 HydrophobicContact CD1-CG2 4.2Å; M615-T673 HydrophobicContact CE-CG2 3.36Å; M615-T673 VanDerWaalsContact CE-CG2 3.43Å; M619-T673 HydrophobicContact CE-CG2 4.01Å; M619-T673 VanDerWaalsContact CE-OG1 3.23Å; M619-T673 WeakPolarHBondContact CE-OG1 3.36Å; L669-T673 WeakPolarHBondContact O-CB 3.24Å; L669-T673 PolarHBondContact O-N 3.25Å; L669-T673 PolarHBondContact O-OG1 3.24Å; M670-T673 VanDerWaalsContact C-OG1 3.23Å; M670-T673 VanDerWaalsContact CA-OG1 3.26Å; M670-T673 WeakPolarHBondContact CA-OG1 3.37Å; M670-T673 PolarHBondContact O-N 3.37Å; M670-T673 PolarHBondContact O-OG1 2.84Å; T673-S675 VanDerWaalsContact C-N 3.34Å; T673-S675 PolarHBondContact O-N 3.27Å; T673-S676 PolarHBondContact O-N 3.1Å; T673-V677 VanDerWaalsContact O-CG2 3.29Å; T673-V677 WeakPolarHBondContact O-CG2 3.36Å; T673-V677 PolarHBondContact O-N 3.16Å; T673-V677 VanDerWaalsContact O-N 3.14Å; T673-L708 HydrophobicContact CG2-CD1 3.66Å; T673-L708 HydrophobicContact CG2-CD2 4.2Å; T673-L708 WeakPolarHBondContact OG1-CD1 3.32Å |
| 674 | F | 73 | Confident | 69.1 | Low | 87.6667 Ų | 87.6667 | 56.1 Ų | 56.1 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.9 | -177.2 | -82.6 | 0 | 0 | 0 | 112 | L524 I527 M670 R671 T672 S676 V677 S678 | L524-F674 HydrophobicContact CD2-CD2 3.42Å; L524-F674 VanDerWaalsContact CD2-CD2 3.47Å; L524-F674 HydrophobicContact CD2-CE2 3.48Å; L524-F674 HydrophobicContact CD2-CG 4.14Å; L524-F674 HydrophobicContact CD2-CZ 4.21Å; L524-F674 HydrophobicContact CG-CE2 4.46Å; I527-F674 HydrophobicContact CD1-CB 4.43Å; I527-F674 HydrophobicContact CG2-CB 4.31Å; I527-F674 HydrophobicContact CG2-CD2 4.21Å; M670-F674 WeakPolarHBondContact O-CB 3.4Å; M670-F674 PolarHBondContact O-N 3.26Å; R671-F674 WeakPolarHBondContact O-CB 3.39Å; R671-F674 PolarHBondContact O-N 3.38Å; T672-F674 VanDerWaalsContact C-N 3.33Å; T672-F674 PolarHBondContact O-N 3.12Å; F674-S676 VanDerWaalsContact C-N 3.35Å; F674-S676 PolarHBondContact O-N 3.26Å; F674-V677 PolarHBondContact O-N 3.02Å; F674-S678 WeakPolarHBondContact O-CB 3.33Å; F674-S678 PolarHBondContact O-N 2.96Å; F674-S678 VanDerWaalsContact O-N 3.14Å |
| 675 | S | 67.1 | Low | 66.4 | Low | 52.6667 Ų | 52.6667 | 60.5 Ų | 60.5 | 37% | 0.368 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 177.8 | -90.4 | 0 | 0 | 0 | 0 | 111.6 | R671 T672 T673 V677 S678 L679 D704 | R671-S675 PolarHBondContact O-N 3.02Å; R671-S675 PolarHBondContact O-OG 3.14Å; T672-S675 PolarHBondContact O-N 3.1Å; T673-S675 VanDerWaalsContact C-N 3.34Å; T673-S675 PolarHBondContact O-N 3.27Å; S675-V677 VanDerWaalsContact C-N 3.29Å; S675-V677 PolarHBondContact O-N 3.3Å; S675-S678 PolarHBondContact O-N 3.08Å; S675-L679 PolarHBondContact O-N 3.34Å; S675-D704 PolarHBondContact OG-OD2 2.93Å |
| 676 | S | 65.2 | Low | 63.7 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 22% | 0.217 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.5 | -33.3 | 178.4 | -173 | 0 | 0 | 0 | 0 | 112.8 | T672 T673 F674 | T672-S676 WeakPolarHBondContact O-CB 3.5Å; T672-S676 PolarHBondContact O-N 3.13Å; T673-S676 PolarHBondContact O-N 3.1Å; F674-S676 VanDerWaalsContact C-N 3.35Å; F674-S676 PolarHBondContact O-N 3.26Å |
| 677 | V | 63.9 | Low | 61.1 | Low | 2.66667 Ų | 2.66667 | 69.5 Ų | 69.5 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -79.4 | -31.2 | 178.9 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | K520 L523 L524 Y612 M615 T673 F674 S675 | K520-V677 HydrophobicContact CB-CG1 4.45Å; K520-V677 HydrophobicContact CD-CG1 4.3Å; K520-V677 HydrophobicContact CG-CG1 4.31Å; K520-V677 PolarHBondContact NZ-O 2.92Å; L523-V677 HydrophobicContact CD2-CG2 3.86Å; L524-V677 HydrophobicContact CD2-CG1 4.26Å; L524-V677 HydrophobicContact CG-CG1 4.33Å; Y612-V677 HydrophobicContact CE1-CG1 4.23Å; Y612-V677 HydrophobicContact CE1-CG2 4.46Å; M615-V677 HydrophobicContact CE-CG2 4.11Å; T673-V677 VanDerWaalsContact O-CG2 3.29Å; T673-V677 WeakPolarHBondContact O-CG2 3.36Å; T673-V677 PolarHBondContact O-N 3.16Å; T673-V677 VanDerWaalsContact O-N 3.14Å; F674-V677 PolarHBondContact O-N 3.02Å; S675-V677 VanDerWaalsContact C-N 3.29Å; S675-V677 PolarHBondContact O-N 3.3Å |
| 678 | S | 57.5 | Low | 58.4 | Low | 57.3333 Ų | 57.3333 | 75.5 Ų | 75.5 | 40% | 0.401 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -83.5 | -23.4 | -172.2 | -169.2 | 0 | 0 | 0 | 0 | 115 | F674 S675 | F674-S678 WeakPolarHBondContact O-CB 3.33Å; F674-S678 PolarHBondContact O-N 2.96Å; F674-S678 VanDerWaalsContact O-N 3.14Å; S675-S678 PolarHBondContact O-N 3.08Å |
| 679 | L | 52.3 | Low | 55.7 | Low | 107.333 Ų | 107.333 | 80.6 Ų | 80.6 | 56% | 0.562 | 46% | 0.461 | S | S | * | . | trans | -95.3 | -6 | -165.5 | -129.8 | 90.2 | 0 | 0 | 0 | 116.6 | S675 N681 S682 D704 | S675-L679 PolarHBondContact O-N 3.34Å; L679-N681 PolarHBondContact O-N 3.17Å; L679-S682 PolarHBondContact O-N 3.37Å; L679-S682 VanDerWaalsContact O-N 3.09Å; L679-D704 WeakPolarHBondContact CD2-OD2 3.4Å | ||
| 680 | D | 48.7 | Very low | 53.2 | Low | 97.6667 Ų | 97.6667 | 87 Ų | 87 | 52% | 0.522 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -4.4 | -179 | -85.5 | -24 | 0 | 0 | 0 | 115.5 | K520 I610 S682 | K520-D680 IonicContact NZ-OD2 2.74Å; K520-D680 PolarHBondContact NZ-OD2 2.88Å; I610-D680 WeakPolarHBondContact CD1-OD2 3.37Å; D680-S682 PolarHBondContact O-N 2.89Å; D680-S682 VanDerWaalsContact O-N 3.15Å |
| 681 | N | 39.4 | Very low | 50.6 | Low | 108.667 Ų | 108.667 | 98.3 Ų | 98.3 | 58% | 0.581 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -95 | 33.7 | -178 | -67.5 | -13.2 | 0 | 0 | 0 | 113.7 | L679 S683 | L679-N681 PolarHBondContact O-N 3.17Å; N681-S683 VanDerWaalsContact C-N 3.3Å; N681-S683 PolarHBondContact O-N 3.31Å |
| 682 | S | 35.3 | Very low | 48 | Very low | 90.3333 Ų | 90.3333 | 97.4 Ų | 97.4 | 63% | 0.632 | 56% | 0.555 | S | S | * | * | trans | -94.9 | 47.9 | 179.7 | 130.2 | 0 | 0 | 0 | 0 | 114 | L679 D680 D684 | L679-S682 PolarHBondContact O-N 3.37Å; L679-S682 VanDerWaalsContact O-N 3.09Å; D680-S682 PolarHBondContact O-N 2.89Å; D680-S682 VanDerWaalsContact O-N 3.15Å; S682-D684 PolarHBondContact O-N 2.95Å | ||
| 683 | S | 37 | Very low | 45.4 | Very low | 104.667 Ų | 104.667 | 102.4 Ų | 102.4 | 73% | 0.732 | 59% | 0.586 | S | S | * | * | trans | -79.7 | -13.4 | 174.2 | 59.8 | 0 | 0 | 0 | 0 | 114.3 | N681 K685 | N681-S683 VanDerWaalsContact C-N 3.3Å; N681-S683 PolarHBondContact O-N 3.31Å; S683-K685 PolarHBondContact O-N 3.37Å | ||
| 684 | D | 34.1 | Very low | 43.2 | Very low | 121.667 Ų | 121.667 | 107.9 Ų | 107.9 | 65% | 0.651 | 63% | 0.625 | S | S | * | * | trans | -102.4 | 84.5 | -174.2 | -70.9 | -8.1 | 0 | 0 | 0 | 112.1 | S682 A686 | S682-D684 PolarHBondContact O-N 2.95Å; D684-A686 VanDerWaalsContact C-N 3.25Å; D684-A686 PolarHBondContact O-N 3.27Å | ||
| 685 | K | 35.8 | Very low | 41.2 | Very low | 184.667 Ų | 184.667 | 109.1 Ų | 109.1 | 80% | 0.803 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 32.2 | -179.9 | -80.5 | -170.4 | 174.6 | -177.3 | 0 | 115.6 | S683 D698 | S683-K685 PolarHBondContact O-N 3.37Å; K685-D698 IonicContact NZ-OD1 2.95Å; K685-D698 IonicContact NZ-OD2 3.86Å; K685-D698 PolarHBondContact NZ-OD2 3Å |
| 686 | A | 35.3 | Very low | 39.5 | Very low | 91.3333 Ų | 91.3333 | 114.7 Ų | 114.7 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -4.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | D684 | D684-A686 VanDerWaalsContact C-N 3.25Å; D684-A686 PolarHBondContact O-N 3.27Å |
| 687 | S | 36 | Very low | 38.1 | Very low | 104.667 Ų | 104.667 | 122.1 Ų | 122.1 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -124.3 | 36.4 | -168.5 | 53.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 688 | T | 35 | Very low | 36.4 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | trans | -130 | 54.4 | 169.6 | 40.2 | 0 | 0 | 0 | 0 | 112.6 | T690 | T688-T690 PolarHBondContact O-N 3.12Š| ||
| 689 | L | 33.3 | Very low | 35.3 | Very low | 159.333 Ų | 159.333 | 130.9 Ų | 130.9 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -104.8 | 87.1 | 163.6 | -87.1 | 114.2 | 0 | 0 | 0 | 109.5 | ||||
| 690 | T | 35.6 | Very low | 34.5 | Very low | 136.667 Ų | 136.667 | 134.3 Ų | 134.3 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -178.1 | 94.6 | 146.3 | 23.7 | 0 | 0 | 0 | 0 | 111.3 | T688 | T688-T690 PolarHBondContact O-N 3.12Š| ||
| 691 | R | 32.5 | Very low | 34.2 | Very low | 237.667 Ų | 237.667 | 135.1 Ų | 135.1 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | 154.4 | 105.5 | 142.7 | -125.6 | 168 | 141.2 | -174.1 | -2.6 | 113.2 | ||||
| 692 | S | 30.7 | Very low | 34.5 | Very low | 100.667 Ų | 100.667 | 133.4 Ų | 133.4 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | trans | 41.6 | 103.5 | 147.8 | -55.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 693 | T | 28.9 | Very low | 35.3 | Very low | 137.333 Ų | 137.333 | 133 Ų | 133 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | 51.2 | 101.9 | 142.7 | 62.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 694 | S | 30.1 | Very low | 36.6 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | 149.2 | 83.5 | 138.6 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 695 | S | 31.8 | Very low | 38.4 | Very low | 113.667 Ų | 113.667 | 126.9 Ų | 126.9 | 80% | 0.795 | 72% | 0.716 | S | S | * | * | trans | -139.9 | 123.7 | 160.7 | 56 | 0 | 0 | 0 | 0 | 112 | F697 | S695-F697 PolarHBondContact O-N 3.42Š| ||
| 696 | L | 30.9 | Very low | 40.5 | Very low | 168.667 Ų | 168.667 | 120.9 Ų | 120.9 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | trans | -96.1 | 81.4 | 172.5 | -75.8 | 159 | 0 | 0 | 0 | 112.2 | ||||
| 697 | F | 35.2 | Very low | 42.7 | Very low | 188 Ų | 188 | 118.4 Ų | 118.4 | 83% | 0.825 | 68% | 0.68 | S | S | * | * | trans | -142.5 | 101.2 | 162.9 | -87.2 | -76.4 | 0 | 0 | 0 | 110.5 | S695 S699 | S695-F697 PolarHBondContact O-N 3.42Å; F697-S699 VanDerWaalsContact C-N 3.34Å; F697-S699 PolarHBondContact O-N 3.05Å; F697-S699 VanDerWaalsContact O-N 3.15Å; F697-S699 PolarHBondContact O-OG 3.01Å | ||
| 698 | D | 29.4 | Very low | 45 | Very low | 162.333 Ų | 162.333 | 113.8 Ų | 113.8 | 87% | 0.868 | 65% | 0.647 | S | S | * | * | trans | -69.1 | 99 | 166.8 | -111.9 | -19.4 | 0 | 0 | 0 | 108.6 | K685 K700 | K685-D698 IonicContact NZ-OD1 2.95Å; K685-D698 IonicContact NZ-OD2 3.86Å; K685-D698 PolarHBondContact NZ-OD2 3Å; D698-K700 PolarHBondContact O-N 3.04Å | ||
| 699 | S | 34.4 | Very low | 47.5 | Very low | 81 Ų | 81 | 108.2 Ų | 108.2 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | trans | -119.8 | 29.9 | -167.7 | 50.9 | 0 | 0 | 0 | 0 | 115.2 | F697 S701 S702 T703 | F697-S699 VanDerWaalsContact C-N 3.34Å; F697-S699 PolarHBondContact O-N 3.05Å; F697-S699 VanDerWaalsContact O-N 3.15Å; F697-S699 PolarHBondContact O-OG 3.01Å; S699-S701 VanDerWaalsContact C-N 3.28Å; S699-S701 PolarHBondContact O-N 3.33Å; S699-S701 VanDerWaalsContact O-N 3.14Å; S699-S702 WeakPolarHBondContact O-CB 3.48Å; S699-S702 PolarHBondContact O-N 2.92Å; S699-T703 PolarHBondContact O-OG1 3.25Å; S699-T703 VanDerWaalsContact O-OG1 3.13Å | ||
| 700 | K | 36.1 | Very low | 50.1 | Low | 179.667 Ų | 179.667 | 105.5 Ų | 105.5 | 78% | 0.781 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 6 | 175.1 | -80.9 | -172.9 | 175.3 | -177.6 | 0 | 113.9 | D698 S702 T703 | D698-K700 PolarHBondContact O-N 3.04Å; K700-S702 VanDerWaalsContact C-N 3.3Å; K700-S702 PolarHBondContact O-N 2.87Å; K700-T703 PolarHBondContact O-OG1 3.13Å |
| 701 | S | 42.3 | Very low | 52.7 | Low | 115 Ų | 115 | 99.2 Ų | 99.2 | 80% | 0.804 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 6.9 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | S699 | S699-S701 VanDerWaalsContact C-N 3.28Å; S699-S701 PolarHBondContact O-N 3.33Å; S699-S701 VanDerWaalsContact O-N 3.14Å |
| 702 | S | 44.7 | Very low | 55.4 | Low | 71.3333 Ų | 71.3333 | 87.9 Ų | 87.9 | 50% | 0.499 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -102.7 | -13 | 176.6 | 164.1 | 0 | 0 | 0 | 0 | 113.7 | S699 K700 | S699-S702 WeakPolarHBondContact O-CB 3.48Å; S699-S702 PolarHBondContact O-N 2.92Å; K700-S702 VanDerWaalsContact C-N 3.3Å; K700-S702 PolarHBondContact O-N 2.87Å |
| 703 | T | 52 | Low | 58.3 | Low | 81.6667 Ų | 81.6667 | 84 Ų | 84 | 50% | 0.501 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.1 | -36.4 | -176 | 33.6 | 0 | 0 | 0 | 0 | 112.7 | S699 K700 R705 A706 A707 | S699-T703 PolarHBondContact O-OG1 3.25Å; S699-T703 VanDerWaalsContact O-OG1 3.13Å; K700-T703 PolarHBondContact O-OG1 3.13Å; T703-R705 PolarHBondContact O-N 3.39Å; T703-A706 WeakPolarHBondContact O-CA 3.2Å; T703-A706 WeakPolarHBondContact O-CB 3.45Å; T703-A706 PolarHBondContact O-N 3.07Å; T703-A707 WeakPolarHBondContact O-CB 3.48Å; T703-A707 PolarHBondContact O-N 3.07Å; T703-A707 VanDerWaalsContact O-N 3.1Å |
| 704 | D | 63.8 | Low | 61.3 | Low | 50 Ų | 50 | 82.9 Ų | 82.9 | 27% | 0.267 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.3 | -37.6 | -171.3 | -64.7 | 8.1 | 0 | 0 | 0 | 112.7 | S675 L679 A706 A707 L708 | S675-D704 PolarHBondContact OG-OD2 2.93Å; L679-D704 WeakPolarHBondContact CD2-OD2 3.4Å; D704-A706 VanDerWaalsContact C-N 3.34Å; D704-A706 PolarHBondContact O-N 3.12Å; D704-A707 PolarHBondContact O-N 3.12Å; D704-L708 WeakPolarHBondContact O-CB 3.36Å; D704-L708 PolarHBondContact O-N 3.38Å |
| 705 | R | 73.2 | Confident | 64.2 | Low | 50 Ų | 50 | 77.4 Ų | 77.4 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 172.9 | 177.4 | -178.4 | 155.7 | 101.5 | -5.7 | 111.9 | E593 T703 A707 L708 L709 K829 Q833 | E593-R705 IonicContact OE1-CZ 3.61Å; E593-R705 IonicContact OE1-NH1 2.68Å; E593-R705 PolarHBondContact OE1-NH1 2.76Å; E593-R705 IonicContact OE1-NH2 3.01Å; E593-R705 PolarHBondContact OE1-NH2 3.17Å; E593-R705 IonicContact OE2-NH1 3.36Å; T703-R705 PolarHBondContact O-N 3.39Å; R705-A707 VanDerWaalsContact C-N 3.33Å; R705-L708 PolarHBondContact O-N 3.08Å; R705-L709 HydrophobicContact CG-CD1 4.28Å; R705-L709 HydrophobicContact CG-CG 4.44Å; R705-L709 WeakPolarHBondContact O-CG 3.28Å; R705-L709 PolarHBondContact O-N 3.16Å; R705-K829 PolarHBondContact NH2-O 3.15Å; R705-Q833 VanDerWaalsContact NH2-NE2 3.14Å |
| 706 | A | 78.7 | Confident | 67 | Low | 57.6667 Ų | 57.6667 | 72 Ų | 72 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T703 D704 L708 L709 E710 | T703-A706 WeakPolarHBondContact O-CA 3.2Å; T703-A706 WeakPolarHBondContact O-CB 3.45Å; T703-A706 PolarHBondContact O-N 3.07Å; D704-A706 VanDerWaalsContact C-N 3.34Å; D704-A706 PolarHBondContact O-N 3.12Å; A706-L708 VanDerWaalsContact C-N 3.34Å; A706-L708 PolarHBondContact O-N 3.04Å; A706-L709 PolarHBondContact O-N 3.06Å; A706-E710 WeakPolarHBondContact O-CB 3.46Å; A706-E710 PolarHBondContact O-N 2.97Å |
| 707 | A | 82.7 | Confident | 69.8 | Low | 39.3333 Ų | 39.3333 | 66.9 Ų | 66.9 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T672 T703 D704 R705 E710 A711 | T672-A707 HydrophobicContact CG2-CB 4.34Å; T703-A707 WeakPolarHBondContact O-CB 3.48Å; T703-A707 PolarHBondContact O-N 3.07Å; T703-A707 VanDerWaalsContact O-N 3.1Å; D704-A707 PolarHBondContact O-N 3.12Å; R705-A707 VanDerWaalsContact C-N 3.33Å; A707-E710 PolarHBondContact O-N 3.3Å; A707-A711 WeakPolarHBondContact O-CB 3.44Å; A707-A711 PolarHBondContact O-N 3.2Å |
| 708 | L | 84.7 | Confident | 72.4 | Confident | 7.66667 Ų | 7.66667 | 58.3 Ų | 58.3 | 4% | 0.04 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -42.4 | 177.5 | -174.8 | 62.2 | 0 | 0 | 0 | 112.5 | L588 I592 L669 T672 T673 D704 R705 A706 E710 A711 A712 | L588-L708 HydrophobicContact CD2-CD1 4.3Å; L588-L708 HydrophobicContact CD2-CD2 4.5Å; I592-L708 HydrophobicContact CD1-CD2 3.28Å; I592-L708 HydrophobicContact CD1-CG 4.12Å; I592-L708 HydrophobicContact CG1-CD2 4.13Å; L669-L708 HydrophobicContact CD1-CD1 3.75Å; T672-L708 WeakPolarHBondContact OG1-CD1 3.38Å; T673-L708 HydrophobicContact CG2-CD1 3.66Å; T673-L708 HydrophobicContact CG2-CD2 4.2Å; T673-L708 WeakPolarHBondContact OG1-CD1 3.32Å; D704-L708 WeakPolarHBondContact O-CB 3.36Å; D704-L708 PolarHBondContact O-N 3.38Å; R705-L708 PolarHBondContact O-N 3.08Å; A706-L708 VanDerWaalsContact C-N 3.34Å; A706-L708 PolarHBondContact O-N 3.04Å; L708-E710 VanDerWaalsContact C-N 3.32Å; L708-E710 PolarHBondContact O-N 2.9Å; L708-A711 PolarHBondContact O-N 3.05Å; L708-A712 WeakPolarHBondContact O-CB 3.39Å; L708-A712 PolarHBondContact O-N 3.1Å |
| 709 | L | 86.7 | Confident | 75.3 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 173.6 | -69.7 | 176.5 | 0 | 0 | 0 | 111.7 | I589 R705 A706 A712 S713 Q833 T836 | I589-L709 HydrophobicContact CG2-CD2 4.03Å; R705-L709 HydrophobicContact CG-CD1 4.28Å; R705-L709 HydrophobicContact CG-CG 4.44Å; R705-L709 WeakPolarHBondContact O-CG 3.28Å; R705-L709 PolarHBondContact O-N 3.16Å; A706-L709 PolarHBondContact O-N 3.06Å; L709-A712 PolarHBondContact O-N 2.92Å; L709-S713 WeakPolarHBondContact O-CB 3.36Å; L709-S713 PolarHBondContact O-N 3.14Å; L709-Q833 HydrophobicContact CD1-CG 4.32Å; L709-Q833 HydrophobicContact CD2-CG 4.27Å; L709-T836 HydrophobicContact CB-CG2 4.31Å; L709-T836 HydrophobicContact CD2-CG2 4.02Å; L709-T836 VanDerWaalsContact O-CG2 3.24Å; L709-T836 WeakPolarHBondContact O-CG2 3.38Å |
| 710 | E | 88.3 | Confident | 77.8 | Confident | 103.333 Ų | 103.333 | 49.6 Ų | 49.6 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 174 | -167.8 | -173.7 | 151.5 | 0 | 0 | 111.3 | A706 A707 L708 A712 S713 R714 | A706-E710 WeakPolarHBondContact O-CB 3.46Å; A706-E710 PolarHBondContact O-N 2.97Å; A707-E710 PolarHBondContact O-N 3.3Å; L708-E710 VanDerWaalsContact C-N 3.32Å; L708-E710 PolarHBondContact O-N 2.9Å; E710-A712 VanDerWaalsContact C-N 3.33Å; E710-A712 PolarHBondContact O-N 3.06Å; E710-S713 WeakPolarHBondContact O-CA 3.43Å; E710-S713 WeakPolarHBondContact O-CB 3.43Å; E710-S713 PolarHBondContact O-N 3.34Å; E710-S713 PolarHBondContact O-OG 2.84Å; E710-R714 WeakPolarHBondContact O-CG 3.37Å; E710-R714 PolarHBondContact O-N 3.39Å; E710-R714 IonicContact OE1-CZ 3.17Å; E710-R714 IonicContact OE1-NE 3.51Å; E710-R714 PolarHBondContact OE1-NE 3.45Å; E710-R714 IonicContact OE1-NH2 3.35Å; E710-R714 PolarHBondContact OE1-NH2 3.41Å |
| 711 | A | 89.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L669 T672 A707 L708 S713 R714 V715 | L669-A711 HydrophobicContact CB-CB 4.38Å; L669-A711 HydrophobicContact CD1-CB 4.26Å; T672-A711 HydrophobicContact CG2-CB 4.31Å; A707-A711 WeakPolarHBondContact O-CB 3.44Å; A707-A711 PolarHBondContact O-N 3.2Å; L708-A711 PolarHBondContact O-N 3.05Å; A711-S713 VanDerWaalsContact C-N 3.32Å; A711-S713 PolarHBondContact O-N 3.15Å; A711-R714 WeakPolarHBondContact O-CB 3.37Å; A711-R714 PolarHBondContact O-N 3.18Å; A711-V715 PolarHBondContact O-N 3.13Å; A711-V715 VanDerWaalsContact O-N 3.12Å |
| 712 | A | 90.5 | Very high | 82.4 | Confident | 0.333333 Ų | 0.333333 | 40.3 Ų | 40.3 | 0% | 0.003 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.9 | -35.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T585 I589 L669 L708 L709 E710 R714 V715 G716 T836 V840 | T585-A712 HydrophobicContact CG2-CB 3.95Å; I589-A712 HydrophobicContact CD1-CB 3.86Å; I589-A712 HydrophobicContact CG1-CB 4.09Å; L669-A712 HydrophobicContact CD1-CB 3.89Å; L708-A712 WeakPolarHBondContact O-CB 3.39Å; L708-A712 PolarHBondContact O-N 3.1Å; L709-A712 PolarHBondContact O-N 2.92Å; E710-A712 VanDerWaalsContact C-N 3.33Å; E710-A712 PolarHBondContact O-N 3.06Å; A712-R714 VanDerWaalsContact C-N 3.32Å; A712-R714 PolarHBondContact O-N 3.13Å; A712-V715 WeakPolarHBondContact O-CB 3.28Å; A712-V715 PolarHBondContact O-N 3.22Å; A712-G716 PolarHBondContact O-N 3.04Å; A712-G716 VanDerWaalsContact O-N 3.13Å; A712-T836 HydrophobicContact CB-CG2 3.84Å; A712-V840 HydrophobicContact CB-CG2 4.5Å; A712-V840 VanDerWaalsContact O-CG2 3.24Å; A712-V840 WeakPolarHBondContact O-CG2 3.43Å |
| 713 | S | 91 | Very high | 84.3 | Confident | 19.3333 Ų | 19.3333 | 37.2 Ų | 37.2 | 14% | 0.135 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 172.6 | 149.6 | 0 | 0 | 0 | 0 | 111.8 | L709 E710 A711 V715 G716 D717 K839 | L709-S713 WeakPolarHBondContact O-CB 3.36Å; L709-S713 PolarHBondContact O-N 3.14Å; E710-S713 WeakPolarHBondContact O-CA 3.43Å; E710-S713 WeakPolarHBondContact O-CB 3.43Å; E710-S713 PolarHBondContact O-N 3.34Å; E710-S713 PolarHBondContact O-OG 2.84Å; A711-S713 VanDerWaalsContact C-N 3.32Å; A711-S713 PolarHBondContact O-N 3.15Å; S713-V715 VanDerWaalsContact C-N 3.3Å; S713-V715 PolarHBondContact O-N 3.08Å; S713-G716 PolarHBondContact O-N 3.46Å; S713-D717 VanDerWaalsContact O-CG 3.3Å; S713-D717 PolarHBondContact O-N 3.31Å; S713-D717 PolarHBondContact OG-OD2 3.17Å; S713-K839 WeakPolarHBondContact OG-CD 3.3Å; S713-K839 PolarHBondContact OG-NZ 3.24Å |
| 714 | R | 91.1 | Very high | 85.7 | Confident | 114.667 Ų | 114.667 | 37.6 Ų | 37.6 | 43% | 0.433 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.8 | -38 | 175.5 | -67 | 179 | -169.1 | 178.5 | 2.8 | 111.7 | A665 D668 E710 A711 A712 G716 D717 A718 | A665-R714 HydrophobicContact CB-CB 4.13Å; D668-R714 IonicContact OD2-NH1 3.13Å; D668-R714 PolarHBondContact OD2-NH1 3.29Å; E710-R714 WeakPolarHBondContact O-CG 3.37Å; E710-R714 PolarHBondContact O-N 3.39Å; E710-R714 IonicContact OE1-CZ 3.17Å; E710-R714 IonicContact OE1-NE 3.51Å; E710-R714 PolarHBondContact OE1-NE 3.45Å; E710-R714 IonicContact OE1-NH2 3.35Å; E710-R714 PolarHBondContact OE1-NH2 3.41Å; A711-R714 WeakPolarHBondContact O-CB 3.37Å; A711-R714 PolarHBondContact O-N 3.18Å; A712-R714 VanDerWaalsContact C-N 3.32Å; A712-R714 PolarHBondContact O-N 3.13Å; R714-G716 VanDerWaalsContact C-N 3.34Å; R714-G716 PolarHBondContact O-N 3.09Å; R714-D717 PolarHBondContact O-N 3.27Å; R714-A718 VanDerWaalsContact O-CB 3.29Å; R714-A718 WeakPolarHBondContact O-CB 3.45Å; R714-A718 PolarHBondContact O-N 3.2Å |
| 715 | V | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 172.6 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | T585 L662 A665 F666 L669 A711 A712 S713 S719 | T585-V715 HydrophobicContact CG2-CG1 4.41Å; L662-V715 HydrophobicContact CD1-CG1 4.44Å; A665-V715 HydrophobicContact CB-CB 4.47Å; A665-V715 HydrophobicContact CB-CG2 3.78Å; F666-V715 HydrophobicContact CD1-CG1 4.28Å; F666-V715 HydrophobicContact CD1-CG2 4.03Å; F666-V715 HydrophobicContact CE1-CB 4.46Å; F666-V715 HydrophobicContact CE1-CG1 3.57Å; F666-V715 VanDerWaalsContact CE1-CG1 3.47Å; F666-V715 HydrophobicContact CE1-CG2 4.14Å; F666-V715 HydrophobicContact CE2-CG1 3.89Å; F666-V715 HydrophobicContact CG-CG2 4.26Å; F666-V715 HydrophobicContact CZ-CG1 3.32Å; F666-V715 HydrophobicContact CZ-CG2 4.45Å; L669-V715 HydrophobicContact CB-CG2 4.38Å; L669-V715 HydrophobicContact CD2-CG2 4.33Å; A711-V715 PolarHBondContact O-N 3.13Å; A711-V715 VanDerWaalsContact O-N 3.12Å; A712-V715 WeakPolarHBondContact O-CB 3.28Å; A712-V715 PolarHBondContact O-N 3.22Å; S713-V715 VanDerWaalsContact C-N 3.3Å; S713-V715 PolarHBondContact O-N 3.08Å; V715-S719 VanDerWaalsContact O-CB 3.24Å; V715-S719 WeakPolarHBondContact O-CB 3.43Å; V715-S719 PolarHBondContact O-N 3.11Å; V715-S719 PolarHBondContact O-OG 3.39Å |
| 716 | G | 89.9 | Confident | 86.7 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A712 S713 R714 S719 R720 K839 | A712-G716 PolarHBondContact O-N 3.04Å; A712-G716 VanDerWaalsContact O-N 3.13Å; S713-G716 PolarHBondContact O-N 3.46Å; R714-G716 VanDerWaalsContact C-N 3.34Å; R714-G716 PolarHBondContact O-N 3.09Å; G716-S719 WeakPolarHBondContact O-CB 3.5Å; G716-S719 PolarHBondContact O-N 3.1Å; G716-R720 PolarHBondContact O-N 3.28Å; G716-K839 WeakPolarHBondContact CA-O 3.31Å |
| 717 | D | 89.9 | Confident | 86.2 | Confident | 61.6667 Ų | 61.6667 | 34.3 Ų | 34.3 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67 | -40.4 | 179.9 | -65.1 | -33.8 | 0 | 0 | 0 | 112 | S713 R714 R720 Q721 K839 | S713-D717 VanDerWaalsContact O-CG 3.3Å; S713-D717 PolarHBondContact O-N 3.31Å; S713-D717 PolarHBondContact OG-OD2 3.17Å; R714-D717 PolarHBondContact O-N 3.27Å; D717-R720 PolarHBondContact O-N 3.16Å; D717-Q721 WeakPolarHBondContact O-CG 3.34Å; D717-Q721 PolarHBondContact O-N 3.18Å; D717-Q721 VanDerWaalsContact O-N 3.13Å; D717-Q721 PolarHBondContact O-NE2 3.03Å; D717-K839 WeakPolarHBondContact OD1-CE 3.37Å; D717-K839 IonicContact OD1-NZ 3.13Å; D717-K839 PolarHBondContact OD1-NZ 3.23Å; D717-K839 IonicContact OD2-NZ 3.06Å; D717-K839 PolarHBondContact OD2-NZ 3.03Å |
| 718 | A | 90.8 | Very high | 85.1 | Confident | 7.66667 Ų | 7.66667 | 34.4 Ų | 34.4 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.9 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L662 A665 R714 R720 Q721 L722 | L662-A718 HydrophobicContact CB-CB 4.11Å; L662-A718 HydrophobicContact CD1-CB 3.91Å; A665-A718 HydrophobicContact CB-CB 4.47Å; R714-A718 VanDerWaalsContact O-CB 3.29Å; R714-A718 WeakPolarHBondContact O-CB 3.45Å; R714-A718 PolarHBondContact O-N 3.2Å; A718-R720 VanDerWaalsContact C-N 3.32Å; A718-R720 PolarHBondContact O-N 2.87Å; A718-Q721 PolarHBondContact O-N 3.26Å; A718-L722 PolarHBondContact O-N 3.39Å |
| 719 | S | 90.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 174 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | L578 L662 V715 G716 Q721 L722 L723 C843 | L578-S719 WeakPolarHBondContact CD1-OG 3.23Å; L662-S719 WeakPolarHBondContact CD1-OG 3.46Å; V715-S719 VanDerWaalsContact O-CB 3.24Å; V715-S719 WeakPolarHBondContact O-CB 3.43Å; V715-S719 PolarHBondContact O-N 3.11Å; V715-S719 PolarHBondContact O-OG 3.39Å; G716-S719 WeakPolarHBondContact O-CB 3.5Å; G716-S719 PolarHBondContact O-N 3.1Å; S719-Q721 PolarHBondContact O-N 3.21Å; S719-L722 PolarHBondContact O-N 3.2Å; S719-L723 WeakPolarHBondContact O-CG 3.33Å; S719-L723 PolarHBondContact O-N 3.29Å; S719-C843 VanDerWaalsContact CB-SG 3.58Å; S719-C843 WeakPolarHBondContact CB-SG 3.45Å |
| 720 | R | 86.9 | Confident | 80.7 | Confident | 59.6667 Ų | 59.6667 | 43.5 Ų | 43.5 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 175.1 | 175.4 | 168 | -176.1 | 172.4 | 3.5 | 111.8 | G716 D717 A718 L723 Q724 W759 D763 C843 | G716-R720 PolarHBondContact O-N 3.28Å; D717-R720 PolarHBondContact O-N 3.16Å; A718-R720 VanDerWaalsContact C-N 3.32Å; A718-R720 PolarHBondContact O-N 2.87Å; R720-L723 PolarHBondContact O-N 3.1Å; R720-Q724 HydrophobicContact CG-CG 4.41Å; R720-Q724 WeakPolarHBondContact O-CB 3.5Å; R720-Q724 VanDerWaalsContact O-CG 3.3Å; R720-Q724 WeakPolarHBondContact O-CG 3.43Å; R720-Q724 PolarHBondContact O-N 3.15Å; R720-W759 HydrophobicContact CG-CH2 4.04Å; R720-W759 HydrophobicContact CG-CZ3 3.74Å; R720-D763 IonicContact CZ-OD1 3.23Å; R720-D763 VanDerWaalsContact CZ-OD1 3.22Å; R720-D763 IonicContact NH1-OD1 3.14Å; R720-D763 PolarHBondContact NH1-OD1 3.31Å; R720-D763 IonicContact NH2-OD1 2.71Å; R720-D763 PolarHBondContact NH2-OD1 3.19Å; R720-D763 IonicContact NH2-OD2 3.33Å; R720-D763 PolarHBondContact NH2-OD2 2.98Å; R720-C843 PolarHBondContact N-SG 3.48Å |
| 721 | Q | 86.3 | Confident | 77.9 | Confident | 100 Ų | 100 | 45.8 Ų | 45.8 | 47% | 0.467 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 178.1 | -72.2 | 169.8 | 36.6 | 0 | 0 | 111.9 | D717 A718 S719 L723 Q724 L725 | D717-Q721 WeakPolarHBondContact O-CG 3.34Å; D717-Q721 PolarHBondContact O-N 3.18Å; D717-Q721 VanDerWaalsContact O-N 3.13Å; D717-Q721 PolarHBondContact O-NE2 3.03Å; A718-Q721 PolarHBondContact O-N 3.26Å; S719-Q721 PolarHBondContact O-N 3.21Å; Q721-L723 VanDerWaalsContact C-N 3.35Å; Q721-L723 PolarHBondContact O-N 3.18Å; Q721-Q724 PolarHBondContact O-N 2.89Å; Q721-L725 WeakPolarHBondContact O-CG 3.47Å; Q721-L725 PolarHBondContact O-N 3.2Å; Q721-L725 VanDerWaalsContact O-N 3.15Å |
| 722 | L | 87.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 177.5 | -176.4 | 63.6 | 0 | 0 | 0 | 111.7 | V574 L629 V633 L655 A658 A659 L662 A718 S719 Q724 L725 I726 | V574-L722 HydrophobicContact CG1-CD2 4.28Å; L629-L722 HydrophobicContact CD1-CD2 4.3Å; L629-L722 HydrophobicContact CD2-CD2 4.44Å; V633-L722 HydrophobicContact CG2-CD1 4.33Å; V633-L722 HydrophobicContact CG2-CD2 4.42Å; L655-L722 HydrophobicContact CD1-CD1 3.61Å; L655-L722 HydrophobicContact CG-CD1 4.3Å; A658-L722 HydrophobicContact CB-CB 4.4Å; A658-L722 HydrophobicContact CB-CD1 4.11Å; A659-L722 HydrophobicContact CB-CD1 4.34Å; L662-L722 HydrophobicContact CD2-CD2 3.65Å; A718-L722 PolarHBondContact O-N 3.39Å; S719-L722 PolarHBondContact O-N 3.2Å; L722-Q724 VanDerWaalsContact C-N 3.34Å; L722-Q724 PolarHBondContact O-N 3.38Å; L722-L725 PolarHBondContact O-N 2.99Å; L722-I726 HydrophobicContact CD1-CD1 4Å; L722-I726 HydrophobicContact CG-CD1 3.98Å; L722-I726 WeakPolarHBondContact O-CG1 3.34Å; L722-I726 PolarHBondContact O-N 3.09Å; L722-I726 VanDerWaalsContact O-N 3.16Å |
| 723 | L | 84 | Confident | 72.1 | Confident | 5.33333 Ų | 5.33333 | 58.9 Ų | 58.9 | 3% | 0.028 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.8 | -30.4 | 178.2 | -71.1 | -176.5 | 0 | 0 | 0 | 113.8 | L575 L578 S719 R720 Q721 L725 I726 S727 I757 W759 C843 | L575-L723 HydrophobicContact CD2-CD1 4.37Å; L575-L723 HydrophobicContact CD2-CD2 3.5Å; L575-L723 VanDerWaalsContact CD2-CD2 3.42Å; L575-L723 HydrophobicContact CG-CD2 4.14Å; L578-L723 HydrophobicContact CD2-CD1 3.9Å; L578-L723 HydrophobicContact CD2-CD2 3.76Å; L578-L723 HydrophobicContact CD2-CG 3.58Å; S719-L723 WeakPolarHBondContact O-CG 3.33Å; S719-L723 PolarHBondContact O-N 3.29Å; R720-L723 PolarHBondContact O-N 3.1Å; Q721-L723 VanDerWaalsContact C-N 3.35Å; Q721-L723 PolarHBondContact O-N 3.18Å; L723-L725 VanDerWaalsContact C-N 3.32Å; L723-I726 PolarHBondContact O-N 3.44Å; L723-S727 WeakPolarHBondContact O-CB 3.45Å; L723-S727 PolarHBondContact O-N 3.18Å; L723-S727 VanDerWaalsContact O-N 3.1Å; L723-S727 PolarHBondContact O-OG 3.1Å; L723-I757 HydrophobicContact CB-CD1 4.1Å; L723-I757 HydrophobicContact CD1-CD1 4.38Å; L723-I757 HydrophobicContact CD2-CD1 4.29Å; L723-I757 HydrophobicContact CG-CD1 4.4Å; L723-W759 HydrophobicContact CB-CH2 3.84Å; L723-W759 HydrophobicContact CB-CZ2 3.9Å; L723-C843 HydrophobicContact CD1-CB 3.74Å |
| 724 | Q | 82.5 | Confident | 68.9 | Low | 91 Ų | 91 | 63.7 Ų | 63.7 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 174.8 | -76.6 | 177 | -30.3 | 0 | 0 | 111.5 | R720 Q721 L722 S727 W759 | R720-Q724 HydrophobicContact CG-CG 4.41Å; R720-Q724 WeakPolarHBondContact O-CB 3.5Å; R720-Q724 VanDerWaalsContact O-CG 3.3Å; R720-Q724 WeakPolarHBondContact O-CG 3.43Å; R720-Q724 PolarHBondContact O-N 3.15Å; Q721-Q724 PolarHBondContact O-N 2.89Å; L722-Q724 VanDerWaalsContact C-N 3.34Å; L722-Q724 PolarHBondContact O-N 3.38Å; Q724-S727 WeakPolarHBondContact O-CB 3.39Å; Q724-S727 PolarHBondContact O-N 2.8Å; Q724-W759 HydrophobicContact CB-CH2 4.43Å; Q724-W759 HydrophobicContact CB-CZ2 4.32Å; Q724-W759 HydrophobicContact CG-CD2 4.41Å; Q724-W759 HydrophobicContact CG-CE3 4.41Å; Q724-W759 HydrophobicContact CG-CH2 3.63Å; Q724-W759 VanDerWaalsContact CG-CH2 3.4Å; Q724-W759 HydrophobicContact CG-CZ2 3.47Å; Q724-W759 VanDerWaalsContact CG-CZ2 3.41Å; Q724-W759 HydrophobicContact CG-CZ3 4.17Å |
| 725 | L | 81 | Confident | 65.7 | Low | 70 Ų | 70 | 64.3 Ų | 64.3 | 37% | 0.366 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73 | -30 | 177.7 | -65.1 | 174.3 | 0 | 0 | 0 | 113.4 | S654 L655 A658 Q721 L722 L723 | S654-L725 WeakPolarHBondContact O-CD1 3.29Å; L655-L725 HydrophobicContact CD1-CB 3.98Å; L655-L725 HydrophobicContact CD1-CD1 4.31Å; A658-L725 HydrophobicContact CB-CD1 3.69Å; Q721-L725 WeakPolarHBondContact O-CG 3.47Å; Q721-L725 PolarHBondContact O-N 3.2Å; Q721-L725 VanDerWaalsContact O-N 3.15Å; L722-L725 PolarHBondContact O-N 2.99Å; L723-L725 VanDerWaalsContact C-N 3.32Å |
| 726 | I | 77.6 | Confident | 62.6 | Low | 1.33333 Ų | 1.33333 | 70.7 Ų | 70.7 | 1% | 0.007 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -87.2 | -16.3 | 179.1 | -64.2 | 170.8 | 0 | 0 | 0 | 111.8 | R571 V574 Y636 L655 L722 L723 | R571-I726 HydrophobicContact CB-CG2 4.16Å; R571-I726 WeakPolarHBondContact CD-O 3.46Å; R571-I726 HydrophobicContact CG-CG2 3.57Å; R571-I726 PolarHBondContact NE-O 3.12Å; R571-I726 VanDerWaalsContact NE-O 3.07Å; R571-I726 PolarHBondContact NH1-O 3.18Å; V574-I726 HydrophobicContact CB-CD1 4.03Å; V574-I726 HydrophobicContact CG1-CD1 3.38Å; V574-I726 VanDerWaalsContact CG1-CD1 3.46Å; V574-I726 HydrophobicContact CG2-CD1 4.07Å; Y636-I726 HydrophobicContact CD2-CG2 4.34Å; Y636-I726 HydrophobicContact CE1-CG1 4.27Å; Y636-I726 HydrophobicContact CE2-CG2 4.04Å; L655-I726 HydrophobicContact CD1-CD1 3.98Å; L655-I726 HydrophobicContact CD1-CG1 3.57Å; L655-I726 HydrophobicContact CD2-CG1 4.45Å; L722-I726 HydrophobicContact CD1-CD1 4Å; L722-I726 HydrophobicContact CG-CD1 3.98Å; L722-I726 WeakPolarHBondContact O-CG1 3.34Å; L722-I726 PolarHBondContact O-N 3.09Å; L722-I726 VanDerWaalsContact O-N 3.16Å; L723-I726 PolarHBondContact O-N 3.44Å |
| 727 | S | 68.2 | Low | 59.6 | Low | 17.3333 Ų | 17.3333 | 75.7 Ų | 75.7 | 12% | 0.121 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -66.8 | 145.3 | 175.3 | -68.8 | 0 | 0 | 0 | 0 | 110.9 | L723 Q724 I757 W759 | L723-S727 WeakPolarHBondContact O-CB 3.45Å; L723-S727 PolarHBondContact O-N 3.18Å; L723-S727 VanDerWaalsContact O-N 3.1Å; L723-S727 PolarHBondContact O-OG 3.1Å; Q724-S727 WeakPolarHBondContact O-CB 3.39Å; Q724-S727 PolarHBondContact O-N 2.8Å; S727-I757 WeakPolarHBondContact OG-CD1 3.35Å; S727-W759 PolarHBondContact OG-NE1 3.22Å; S727-W759 VanDerWaalsContact OG-NE1 3.11Å |
| 728 | P | 59 | Low | 56.7 | Low | 40.3333 Ų | 40.3333 | 78.7 Ų | 78.7 | 26% | 0.262 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 139.3 | 176.7 | 21.7 | -11.7 | 0 | 0 | 0 | 107.4 | R571 T730 | R571-P728 VanDerWaalsContact NH1-CD 3.32Å; R571-P728 VanDerWaalsContact NH1-N 3.17Å; P728-T730 PolarHBondContact O-N 3.2Å; P728-T730 VanDerWaalsContact O-N 3.12Å |
| 729 | P | 42.8 | Very low | 53.9 | Low | 116.333 Ų | 116.333 | 85.8 Ų | 85.8 | 76% | 0.755 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 122.6 | -178.8 | 22 | -31.9 | 0 | 0 | 0 | 109.9 | I731 | P729-I731 PolarHBondContact O-N 3.02Å; P729-I731 VanDerWaalsContact O-N 3.15Å |
| 730 | T | 35.8 | Very low | 51.1 | Low | 99.6667 Ų | 99.6667 | 94.2 Ų | 94.2 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | trans | -64.1 | 108.7 | 167 | 32.5 | 0 | 0 | 0 | 0 | 107.6 | P728 S732 I756 | P728-T730 PolarHBondContact O-N 3.2Å; P728-T730 VanDerWaalsContact O-N 3.12Å; T730-S732 VanDerWaalsContact C-N 3.26Å; T730-S732 PolarHBondContact O-N 3.21Å; T730-I756 HydrophobicContact CG2-CD1 4.37Å; T730-I756 HydrophobicContact CG2-CG1 3.84Å | ||
| 731 | I | 30.2 | Very low | 48.5 | Very low | 151.333 Ų | 151.333 | 98.3 Ų | 98.3 | 78% | 0.776 | 56% | 0.562 | S | S | * | * | trans | -72.9 | 81.5 | 173.6 | -54 | 174.9 | 0 | 0 | 0 | 107.6 | P729 | P729-I731 PolarHBondContact O-N 3.02Å; P729-I731 VanDerWaalsContact O-N 3.15Å | ||
| 732 | S | 29.2 | Very low | 45.9 | Very low | 99.3333 Ų | 99.3333 | 101.4 Ų | 101.4 | 70% | 0.695 | 58% | 0.582 | S | S | * | * | trans | -115.1 | 89.6 | 169 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | T730 | T730-S732 VanDerWaalsContact C-N 3.26Å; T730-S732 PolarHBondContact O-N 3.21Å | ||
| 733 | E | 27.6 | Very low | 43.2 | Very low | 180 Ų | 180 | 108 Ų | 108 | 84% | 0.841 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 54 | 52.8 | 173.1 | -57.5 | -174.3 | 162.3 | 0 | 0 | 117.3 | C735 | E733-C735 VanDerWaalsContact C-N 3.35Å; E733-C735 PolarHBondContact O-N 3.03Å; E733-C735 VanDerWaalsContact O-N 3.12Å |
| 734 | C | 24.5 | Very low | 40.7 | Very low | 121 Ų | 121 | 113.3 Ų | 113.3 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | trans | -125.8 | 64.3 | 159.5 | -153.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 735 | C | 23 | Very low | 38.2 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 86% | 0.858 | 68% | 0.675 | S | S | * | * | trans | -132.6 | 61.4 | 172 | -75.2 | 0 | 0 | 0 | 0 | 110.3 | E733 | E733-C735 VanDerWaalsContact C-N 3.35Å; E733-C735 PolarHBondContact O-N 3.03Å; E733-C735 VanDerWaalsContact O-N 3.12Å | ||
| 736 | V | 27 | Very low | 35.7 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -127 | 81.4 | 167.2 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 737 | S | 28.3 | Very low | 33.3 | Very low | 104.667 Ų | 104.667 | 134.3 Ų | 134.3 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | 172.5 | 97.3 | 158.5 | 32.1 | 0 | 0 | 0 | 0 | 114 | N739 | S737-N739 PolarHBondContact O-N 3.2Š| ||
| 738 | T | 28.8 | Very low | 31.4 | Very low | 126.333 Ų | 126.333 | 140.3 Ų | 140.3 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 145 | 123.3 | 146.7 | 45.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 739 | N | 32.4 | Very low | 30 | Very low | 155.333 Ų | 155.333 | 145.5 Ų | 145.5 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | 110.2 | 99 | 148 | -66.4 | -16.8 | 0 | 0 | 0 | 114 | S737 | S737-N739 PolarHBondContact O-N 3.2Š| ||
| 740 | E | 31.6 | Very low | 29.3 | Very low | 176.667 Ų | 176.667 | 146.8 Ų | 146.8 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -46.6 | 147.3 | 156 | -60.4 | 175.7 | 153.2 | 0 | 0 | 112 | ||||
| 741 | N | 30.4 | Very low | 29.2 | Very low | 145.667 Ų | 145.667 | 146.5 Ų | 146.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | 88.7 | 72 | 173.2 | -44.6 | -50.5 | 0 | 0 | 0 | 116.1 | ||||
| 742 | D | 32.5 | Very low | 29.3 | Very low | 166.667 Ų | 166.667 | 145.6 Ų | 145.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | -162 | 111.1 | 129.4 | -104.4 | -25.6 | 0 | 0 | 0 | 110.7 | |||||
| 743 | T | 30 | Very low | 29.4 | Very low | 137.667 Ų | 137.667 | 146 Ų | 146 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -105.2 | 93.5 | 179 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 744 | V | 32.2 | Very low | 30 | Very low | 115.667 Ų | 115.667 | 140.7 Ų | 140.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -157 | 127.5 | 160.5 | 168.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 745 | Y | 29.7 | Very low | 31.2 | Very low | 222.333 Ų | 222.333 | 136.4 Ų | 136.4 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | trans | 45.2 | 88.7 | 170.7 | -54.6 | -69.6 | 0 | 0 | 0 | 117.7 | E747 | Y745-E747 PolarHBondContact O-N 3.45Š| ||
| 746 | K | 29.3 | Very low | 32.4 | Very low | 201.333 Ų | 201.333 | 132.5 Ų | 132.5 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | trans | -116.3 | 104.2 | 154.7 | -79.7 | -172.7 | 175.7 | -178.3 | 0 | 109.1 | N748 | K746-N748 PolarHBondContact O-N 3.15Š| ||
| 747 | E | 27.4 | Very low | 33.9 | Very low | 181.333 Ų | 181.333 | 127.9 Ų | 127.9 | 85% | 0.847 | 68% | 0.679 | S | S | * | * | trans | -91.3 | 128 | 168.3 | -88.4 | 172 | 169.7 | 0 | 0 | 109.9 | Y745 N749 | Y745-E747 PolarHBondContact O-N 3.45Å; E747-N749 PolarHBondContact O-N 3.31Å | ||
| 748 | N | 28.3 | Very low | 35.8 | Very low | 142.333 Ų | 142.333 | 126.5 Ų | 126.5 | 76% | 0.761 | 66% | 0.663 | S | S | * | * | trans | -11.9 | 69.9 | 168.3 | -63.6 | -26 | 0 | 0 | 0 | 116.2 | K746 H750 | K746-N748 PolarHBondContact O-N 3.15Å; N748-H750 VanDerWaalsContact C-N 3.26Å; N748-H750 PolarHBondContact O-N 3.24Å | ||
| 749 | N | 28.3 | Very low | 38.1 | Very low | 149.333 Ų | 149.333 | 122.5 Ų | 122.5 | 80% | 0.799 | 63% | 0.634 | S | S | * | * | trans | -87.8 | 72.1 | 157.6 | -89.1 | -13.6 | 0 | 0 | 0 | 110.2 | E747 V751 | E747-N749 PolarHBondContact O-N 3.31Å; N749-V751 VanDerWaalsContact C-N 3.29Å; N749-V751 PolarHBondContact O-N 3.05Å; N749-V751 VanDerWaalsContact O-N 3.11Å | ||
| 750 | H | 29.2 | Very low | 40.3 | Very low | 145 Ų | 145 | 122.3 Ų | 122.3 | 67% | 0.671 | 63% | 0.628 | S | S | * | * | trans | -79.7 | 87.8 | 167.8 | -106.2 | -59 | 0 | 0 | 0 | 108.8 | N748 N752 | N748-H750 VanDerWaalsContact C-N 3.26Å; N748-H750 PolarHBondContact O-N 3.24Å; H750-N752 PolarHBondContact O-N 3.14Å | ||
| 751 | V | 32.3 | Very low | 42.5 | Very low | 92.6667 Ų | 92.6667 | 115 Ų | 115 | 56% | 0.562 | 60% | 0.597 | S | S | * | * | trans | -67 | 115.8 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | N749 N753 V1110 | N749-V751 VanDerWaalsContact C-N 3.29Å; N749-V751 PolarHBondContact O-N 3.05Å; N749-V751 VanDerWaalsContact O-N 3.11Å; V751-N753 WeakPolarHBondContact CG1-OD1 3Å; V751-N753 PolarHBondContact O-N 3.41Å; V751-V1110 HydrophobicContact CG1-CG1 4.07Å | ||
| 752 | N | 32.4 | Very low | 45 | Very low | 132.667 Ų | 132.667 | 108.7 Ų | 108.7 | 71% | 0.709 | 56% | 0.563 | S | S | * | * | trans | -65.9 | 71.6 | 175.5 | -73.5 | -24 | 0 | 0 | 0 | 111.3 | H750 A754 S755 | H750-N752 PolarHBondContact O-N 3.14Å; N752-A754 PolarHBondContact O-N 2.88Å; N752-A754 VanDerWaalsContact O-N 3.11Å; N752-S755 PolarHBondContact O-N 2.97Å | ||
| 753 | N | 31.4 | Very low | 47.6 | Very low | 108 Ų | 108 | 103.8 Ų | 103.8 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | trans | -65.9 | 70 | 175.5 | -77.7 | -17.6 | 0 | 0 | 0 | 110.2 | V751 S755 I756 I757 | V751-N753 WeakPolarHBondContact CG1-OD1 3Å; V751-N753 PolarHBondContact O-N 3.41Å; N753-S755 PolarHBondContact O-N 2.88Å; N753-I756 PolarHBondContact O-N 3.43Å; N753-I757 WeakPolarHBondContact O-CG1 3.47Å; N753-I757 PolarHBondContact O-N 3.13Å | ||
| 754 | A | 41.6 | Very low | 50.3 | Low | 67.6667 Ų | 67.6667 | 104.7 Ų | 104.7 | 56% | 0.559 | 53% | 0.525 | S | S | * | . | trans | -62.3 | 76.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N752 I756 I757 D758 R1109 | N752-A754 PolarHBondContact O-N 2.88Å; N752-A754 VanDerWaalsContact O-N 3.11Å; A754-I756 VanDerWaalsContact C-N 3.28Å; A754-I756 PolarHBondContact O-N 3.11Å; A754-I757 PolarHBondContact O-N 3.24Å; A754-D758 PolarHBondContact O-N 3.02Å; A754-R1109 HydrophobicContact CB-CG 4.32Å; A754-R1109 WeakPolarHBondContact O-CD 3.5Å | ||
| 755 | S | 48.1 | Very low | 53 | Low | 30.3333 Ų | 30.3333 | 99.2 Ų | 99.2 | 21% | 0.212 | 49% | 0.491 | C | S | . | . | trans | -59.9 | 126.8 | 172.9 | 145.5 | 0 | 0 | 0 | 0 | 111.1 | N752 N753 I757 | N752-S755 PolarHBondContact O-N 2.97Å; N753-S755 PolarHBondContact O-N 2.88Å; S755-I757 VanDerWaalsContact CB-O 3.28Å; S755-I757 WeakPolarHBondContact CB-O 3.32Å; S755-I757 PolarHBondContact O-N 3.11Å; S755-I757 VanDerWaalsContact O-N 3.16Å; S755-I757 PolarHBondContact OG-N 3.04Å; S755-I757 VanDerWaalsContact OG-N 3.11Å; S755-I757 PolarHBondContact OG-O 3.46Å | ||
| 756 | I | 50 | Low | 55.9 | Low | 46 Ų | 46 | 89.9 Ų | 89.9 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -64 | -30.9 | 173.3 | -58.5 | -177.5 | 0 | 0 | 0 | 110.5 | R571 L575 T730 N753 A754 D758 W759 E760 | R571-I756 VanDerWaalsContact CZ-CD1 3.48Å; L575-I756 HydrophobicContact CD1-CG2 4.32Å; T730-I756 HydrophobicContact CG2-CD1 4.37Å; T730-I756 HydrophobicContact CG2-CG1 3.84Å; N753-I756 PolarHBondContact O-N 3.43Å; A754-I756 VanDerWaalsContact C-N 3.28Å; A754-I756 PolarHBondContact O-N 3.11Å; I756-D758 VanDerWaalsContact C-N 3.35Å; I756-D758 PolarHBondContact O-N 2.73Å; I756-W759 PolarHBondContact O-N 3.09Å; I756-E760 PolarHBondContact O-N 2.88Å |
| 757 | I | 57.4 | Low | 58.9 | Low | 37.6667 Ų | 37.6667 | 83.7 Ų | 83.7 | 19% | 0.193 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -103.3 | 89.6 | -177.3 | -57.8 | 177.1 | 0 | 0 | 0 | 109 | L575 L723 S727 N753 A754 S755 W759 E760 A761 R762 | L575-I757 HydrophobicContact CD2-CD1 4.03Å; L723-I757 HydrophobicContact CB-CD1 4.1Å; L723-I757 HydrophobicContact CD1-CD1 4.38Å; L723-I757 HydrophobicContact CD2-CD1 4.29Å; L723-I757 HydrophobicContact CG-CD1 4.4Å; S727-I757 WeakPolarHBondContact OG-CD1 3.35Å; N753-I757 WeakPolarHBondContact O-CG1 3.47Å; N753-I757 PolarHBondContact O-N 3.13Å; A754-I757 PolarHBondContact O-N 3.24Å; S755-I757 VanDerWaalsContact CB-O 3.28Å; S755-I757 WeakPolarHBondContact CB-O 3.32Å; S755-I757 PolarHBondContact O-N 3.11Å; S755-I757 VanDerWaalsContact O-N 3.16Å; S755-I757 PolarHBondContact OG-N 3.04Å; S755-I757 VanDerWaalsContact OG-N 3.11Å; S755-I757 PolarHBondContact OG-O 3.46Å; I757-W759 HydrophobicContact CB-CZ2 4.45Å; I757-W759 HydrophobicContact CD1-CZ2 4.23Å; I757-W759 HydrophobicContact CG2-CD2 3.96Å; I757-W759 HydrophobicContact CG2-CE3 4.38Å; I757-W759 HydrophobicContact CG2-CG 4.41Å; I757-W759 HydrophobicContact CG2-CH2 4.27Å; I757-W759 HydrophobicContact CG2-CZ2 3.85Å; I757-W759 HydrophobicContact CG2-CZ3 4.43Å; I757-W759 PolarHBondContact O-N 3.04Å; I757-W759 VanDerWaalsContact O-N 3.16Å; I757-E760 PolarHBondContact O-N 3.38Å; I757-A761 PolarHBondContact O-N 3.21Å; I757-A761 VanDerWaalsContact O-N 3.17Å; I757-R762 VanDerWaalsContact CG2-CZ 3.4Å |
| 758 | D | 69.1 | Low | 61.9 | Low | 75.3333 Ų | 75.3333 | 76 Ų | 76 | 40% | 0.403 | 40% | 0.4 | S | S | . | . | trans | -70.3 | 82.3 | 171.2 | -146 | -13.7 | 0 | 0 | 0 | 110.1 | A754 I756 E760 A761 R762 | A754-D758 PolarHBondContact O-N 3.02Å; I756-D758 VanDerWaalsContact C-N 3.35Å; I756-D758 PolarHBondContact O-N 2.73Å; D758-E760 WeakPolarHBondContact OD1-CA 3.21Å; D758-E760 WeakPolarHBondContact OD1-CB 3.38Å; D758-E760 PolarHBondContact OD1-N 2.95Å; D758-A761 HydrophobicContact CB-CB 4.2Å; D758-A761 PolarHBondContact OD1-N 2.91Å; D758-A761 VanDerWaalsContact OD1-N 3.09Å; D758-A761 WeakPolarHBondContact OD2-CB 3.39Å; D758-R762 WeakPolarHBondContact O-CD 3.32Å; D758-R762 WeakPolarHBondContact O-CG 3.32Å; D758-R762 PolarHBondContact O-N 2.87Å; D758-R762 VanDerWaalsContact O-N 3.16Å; D758-R762 PolarHBondContact O-NH1 3.07Å; D758-R762 VanDerWaalsContact O-NH1 3.12Å | ||
| 759 | W | 76 | Confident | 65 | Low | 43 Ų | 43 | 69.4 Ų | 69.4 | 16% | 0.163 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -78.4 | -27.2 | 178.9 | -75.4 | 111.5 | 0 | 0 | 0 | 113 | R720 L723 Q724 S727 I756 I757 R762 D763 | R720-W759 HydrophobicContact CG-CH2 4.04Å; R720-W759 HydrophobicContact CG-CZ3 3.74Å; L723-W759 HydrophobicContact CB-CH2 3.84Å; L723-W759 HydrophobicContact CB-CZ2 3.9Å; Q724-W759 HydrophobicContact CB-CH2 4.43Å; Q724-W759 HydrophobicContact CB-CZ2 4.32Å; Q724-W759 HydrophobicContact CG-CD2 4.41Å; Q724-W759 HydrophobicContact CG-CE3 4.41Å; Q724-W759 HydrophobicContact CG-CH2 3.63Å; Q724-W759 VanDerWaalsContact CG-CH2 3.4Å; Q724-W759 HydrophobicContact CG-CZ2 3.47Å; Q724-W759 VanDerWaalsContact CG-CZ2 3.41Å; Q724-W759 HydrophobicContact CG-CZ3 4.17Å; S727-W759 PolarHBondContact OG-NE1 3.22Å; S727-W759 VanDerWaalsContact OG-NE1 3.11Å; I756-W759 PolarHBondContact O-N 3.09Å; I757-W759 HydrophobicContact CB-CZ2 4.45Å; I757-W759 HydrophobicContact CD1-CZ2 4.23Å; I757-W759 HydrophobicContact CG2-CD2 3.96Å; I757-W759 HydrophobicContact CG2-CE3 4.38Å; I757-W759 HydrophobicContact CG2-CG 4.41Å; I757-W759 HydrophobicContact CG2-CH2 4.27Å; I757-W759 HydrophobicContact CG2-CZ2 3.85Å; I757-W759 HydrophobicContact CG2-CZ3 4.43Å; I757-W759 PolarHBondContact O-N 3.04Å; I757-W759 VanDerWaalsContact O-N 3.16Å; W759-R762 HydrophobicContact CE3-CB 4.32Å; W759-R762 PolarHBondContact O-N 3.34Å; W759-D763 WeakPolarHBondContact O-CB 3.38Å; W759-D763 PolarHBondContact O-N 3.33Å |
| 760 | E | 78.5 | Confident | 68.1 | Low | 152 Ų | 152 | 68.2 Ų | 68.2 | 71% | 0.71 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.2 | -45.1 | 177.7 | -91.6 | -177.5 | -179.1 | 0 | 0 | 110.6 | I756 I757 D758 R762 D763 R764 | I756-E760 PolarHBondContact O-N 2.88Å; I757-E760 PolarHBondContact O-N 3.38Å; D758-E760 WeakPolarHBondContact OD1-CA 3.21Å; D758-E760 WeakPolarHBondContact OD1-CB 3.38Å; D758-E760 PolarHBondContact OD1-N 2.95Å; E760-R762 VanDerWaalsContact C-N 3.29Å; E760-R762 PolarHBondContact O-N 2.98Å; E760-D763 PolarHBondContact O-N 3.1Å; E760-R764 VanDerWaalsContact O-CB 3.25Å; E760-R764 WeakPolarHBondContact O-CB 3.34Å; E760-R764 PolarHBondContact O-N 3.26Å |
| 761 | A | 78.3 | Confident | 71.1 | Confident | 21.3333 Ų | 21.3333 | 63.1 Ų | 63.1 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I757 D758 R764 L765 M845 T926 | I757-A761 PolarHBondContact O-N 3.21Å; I757-A761 VanDerWaalsContact O-N 3.17Å; D758-A761 HydrophobicContact CB-CB 4.2Å; D758-A761 PolarHBondContact OD1-N 2.91Å; D758-A761 VanDerWaalsContact OD1-N 3.09Å; D758-A761 WeakPolarHBondContact OD2-CB 3.39Å; A761-R764 WeakPolarHBondContact O-CB 3.44Å; A761-R764 PolarHBondContact O-N 3.29Å; A761-L765 PolarHBondContact O-N 3.23Å; A761-M845 HydrophobicContact CB-CE 4.47Å; A761-T926 HydrophobicContact CB-CG2 4.1Å |
| 762 | R | 83.5 | Confident | 74 | Confident | 13.3333 Ų | 13.3333 | 58.7 Ų | 58.7 | 5% | 0.05 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.4 | -70 | 173.8 | 172 | 94.2 | 0.4 | 112.6 | I757 D758 W759 E760 R764 L765 L766 A842 C843 M845 E846 | I757-R762 VanDerWaalsContact CG2-CZ 3.4Å; D758-R762 WeakPolarHBondContact O-CD 3.32Å; D758-R762 WeakPolarHBondContact O-CG 3.32Å; D758-R762 PolarHBondContact O-N 2.87Å; D758-R762 VanDerWaalsContact O-N 3.16Å; D758-R762 PolarHBondContact O-NH1 3.07Å; D758-R762 VanDerWaalsContact O-NH1 3.12Å; W759-R762 HydrophobicContact CE3-CB 4.32Å; W759-R762 PolarHBondContact O-N 3.34Å; E760-R762 VanDerWaalsContact C-N 3.29Å; E760-R762 PolarHBondContact O-N 2.98Å; R762-R764 VanDerWaalsContact C-N 3.35Å; R762-L765 PolarHBondContact O-N 2.93Å; R762-L766 WeakPolarHBondContact O-CG 3.32Å; R762-L766 PolarHBondContact O-N 2.92Å; R762-A842 VanDerWaalsContact CD-O 3.25Å; R762-A842 WeakPolarHBondContact CD-O 3.38Å; R762-A842 VanDerWaalsContact CG-O 3.27Å; R762-A842 WeakPolarHBondContact CG-O 3.43Å; R762-A842 PolarHBondContact NE-O 3.13Å; R762-C843 PolarHBondContact NH2-O 2.71Å; R762-M845 HydrophobicContact CB-CE 4.11Å; R762-M845 HydrophobicContact CG-CE 3.73Å; R762-M845 HydrophobicContact CG-SD 3.91Å; R762-E846 IonicContact CZ-OE1 3.37Å; R762-E846 VanDerWaalsContact CZ-OE1 3.28Å; R762-E846 IonicContact NE-OE1 3.7Å; R762-E846 IonicContact NH1-OE1 3.02Å; R762-E846 PolarHBondContact NH1-OE1 3.01Å; R762-E846 IonicContact NH2-OE1 3.29Å; R762-E846 PolarHBondContact NH2-OE1 3.08Å; R762-E846 IonicContact NH2-OE2 2.7Å |
| 763 | D | 86.3 | Confident | 76.9 | Confident | 64.3333 Ų | 64.3333 | 53.2 Ų | 53.2 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.7 | -34.3 | 176.6 | -127.7 | 44.2 | 0 | 0 | 0 | 112.2 | R720 W759 E760 L765 L766 T767 | R720-D763 IonicContact CZ-OD1 3.23Å; R720-D763 VanDerWaalsContact CZ-OD1 3.22Å; R720-D763 IonicContact NH1-OD1 3.14Å; R720-D763 PolarHBondContact NH1-OD1 3.31Å; R720-D763 IonicContact NH2-OD1 2.71Å; R720-D763 PolarHBondContact NH2-OD1 3.19Å; R720-D763 IonicContact NH2-OD2 3.33Å; R720-D763 PolarHBondContact NH2-OD2 2.98Å; W759-D763 WeakPolarHBondContact O-CB 3.38Å; W759-D763 PolarHBondContact O-N 3.33Å; E760-D763 PolarHBondContact O-N 3.1Å; D763-L765 VanDerWaalsContact C-N 3.35Å; D763-L765 PolarHBondContact O-N 2.94Å; D763-L766 PolarHBondContact O-N 3.05Å; D763-L766 VanDerWaalsContact O-N 3.14Å; D763-T767 VanDerWaalsContact O-CB 3.3Å; D763-T767 WeakPolarHBondContact O-CB 3.23Å; D763-T767 WeakPolarHBondContact O-CG2 3.41Å; D763-T767 PolarHBondContact O-N 3.04Å; D763-T767 PolarHBondContact O-OG1 3.08Å |
| 764 | R | 87.1 | Confident | 79.9 | Confident | 157.667 Ų | 157.667 | 53.3 Ų | 53.3 | 60% | 0.595 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.7 | -46.9 | 171.6 | -174.5 | 146.6 | 178.9 | 178.6 | -1.1 | 111.4 | E760 A761 R762 L766 T767 L768 | E760-R764 VanDerWaalsContact O-CB 3.25Å; E760-R764 WeakPolarHBondContact O-CB 3.34Å; E760-R764 PolarHBondContact O-N 3.26Å; A761-R764 WeakPolarHBondContact O-CB 3.44Å; A761-R764 PolarHBondContact O-N 3.29Å; R762-R764 VanDerWaalsContact C-N 3.35Å; R764-L766 VanDerWaalsContact C-N 3.32Å; R764-L766 PolarHBondContact O-N 3.25Å; R764-T767 WeakPolarHBondContact CA-OG1 3.27Å; R764-T767 PolarHBondContact O-N 3.03Å; R764-T767 PolarHBondContact O-OG1 3.1Å; R764-L768 HydrophobicContact CG-CD1 4.13Å; R764-L768 WeakPolarHBondContact O-CG 3.33Å; R764-L768 PolarHBondContact O-N 2.94Å |
| 765 | L | 88.8 | Confident | 82.4 | Confident | 0.333333 Ų | 0.333333 | 50.9 Ų | 50.9 | 0% | 0.002 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 175.5 | -175.7 | 99.9 | 0 | 0 | 0 | 111.7 | A761 R762 D763 T767 L768 T769 A838 A842 M845 L854 L919 L923 | A761-L765 PolarHBondContact O-N 3.23Å; R762-L765 PolarHBondContact O-N 2.93Å; D763-L765 VanDerWaalsContact C-N 3.35Å; D763-L765 PolarHBondContact O-N 2.94Å; L765-T767 VanDerWaalsContact C-N 3.28Å; L765-T767 PolarHBondContact O-N 3.19Å; L765-L768 PolarHBondContact O-N 3.23Å; L765-T769 WeakPolarHBondContact O-CB 3.34Å; L765-T769 PolarHBondContact O-N 3.02Å; L765-T769 PolarHBondContact O-OG1 2.96Å; L765-A838 HydrophobicContact CD2-CB 4.23Å; L765-A842 HydrophobicContact CD2-CB 4.46Å; L765-M845 HydrophobicContact CB-CE 3.83Å; L765-M845 HydrophobicContact CB-SD 4.13Å; L765-M845 HydrophobicContact CD1-CE 3.47Å; L765-M845 VanDerWaalsContact CD1-CE 3.47Å; L765-M845 HydrophobicContact CD1-SD 3.97Å; L765-M845 HydrophobicContact CD2-CE 3.89Å; L765-M845 HydrophobicContact CD2-SD 3.7Å; L765-M845 HydrophobicContact CG-CE 4.15Å; L765-M845 HydrophobicContact CG-SD 4.08Å; L765-L854 HydrophobicContact CD1-CD2 4.02Å; L765-L854 HydrophobicContact CD2-CD2 4.09Å; L765-L854 HydrophobicContact CG-CD2 4.39Å; L765-L919 HydrophobicContact CD1-CD2 4.43Å; L765-L919 HydrophobicContact CD1-CG 4.31Å; L765-L919 HydrophobicContact CD2-CD1 4.34Å; L765-L919 HydrophobicContact CG-CD1 3.86Å; L765-L923 HydrophobicContact CD1-CD1 4.17Å; L765-L923 HydrophobicContact CD1-CD2 3.87Å; L765-L923 HydrophobicContact CD1-CG 4.13Å; L765-L923 HydrophobicContact CD2-CD2 4.39Å |
| 766 | L | 90.6 | Very high | 84.6 | Confident | 26.6667 Ų | 26.6667 | 49.5 Ų | 49.5 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.4 | -34 | 179.4 | -68.2 | 173.7 | 0 | 0 | 0 | 112.3 | R762 D763 R764 T769 K770 A838 K839 A842 | R762-L766 WeakPolarHBondContact O-CG 3.32Å; R762-L766 PolarHBondContact O-N 2.92Å; D763-L766 PolarHBondContact O-N 3.05Å; D763-L766 VanDerWaalsContact O-N 3.14Å; R764-L766 VanDerWaalsContact C-N 3.32Å; R764-L766 PolarHBondContact O-N 3.25Å; L766-T769 PolarHBondContact O-N 3.35Å; L766-K770 WeakPolarHBondContact O-CB 3.47Å; L766-K770 WeakPolarHBondContact O-CD 3.32Å; L766-K770 WeakPolarHBondContact O-CE 3.31Å; L766-K770 VanDerWaalsContact O-CG 3.22Å; L766-K770 WeakPolarHBondContact O-CG 3.33Å; L766-K770 PolarHBondContact O-N 3.3Å; L766-K770 VanDerWaalsContact O-N 3.08Å; L766-A838 HydrophobicContact CD2-CB 4.43Å; L766-K839 HydrophobicContact CD2-CG 4.1Å; L766-A842 HydrophobicContact CD1-CB 4.3Å; L766-A842 HydrophobicContact CD2-CB 4.13Å; L766-A842 HydrophobicContact CG-CB 4.23Å |
| 767 | T | 92.1 | Very high | 86.6 | Confident | 69.6667 Ų | 69.6667 | 50.5 Ų | 50.5 | 43% | 0.427 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 175.6 | -31.3 | 0 | 0 | 0 | 0 | 111.5 | D763 R764 L765 T769 K770 S771 | D763-T767 VanDerWaalsContact O-CB 3.3Å; D763-T767 WeakPolarHBondContact O-CB 3.23Å; D763-T767 WeakPolarHBondContact O-CG2 3.41Å; D763-T767 PolarHBondContact O-N 3.04Å; D763-T767 PolarHBondContact O-OG1 3.08Å; R764-T767 WeakPolarHBondContact CA-OG1 3.27Å; R764-T767 PolarHBondContact O-N 3.03Å; R764-T767 PolarHBondContact O-OG1 3.1Å; L765-T767 VanDerWaalsContact C-N 3.28Å; L765-T767 PolarHBondContact O-N 3.19Å; T767-T769 VanDerWaalsContact C-N 3.3Å; T767-T769 PolarHBondContact O-N 3.33Å; T767-K770 WeakPolarHBondContact O-CB 3.37Å; T767-K770 PolarHBondContact O-N 3.32Å; T767-K770 VanDerWaalsContact O-N 3.1Å; T767-S771 PolarHBondContact O-N 3.46Å; T767-S771 PolarHBondContact O-OG 3.32Å |
| 768 | L | 91.5 | Very high | 88.3 | Confident | 21.6667 Ų | 21.6667 | 50.2 Ų | 50.2 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.8 | -69.3 | 171.6 | 0 | 0 | 0 | 111.5 | R764 L765 K770 S771 V772 N918 L919 C922 | R764-L768 HydrophobicContact CG-CD1 4.13Å; R764-L768 WeakPolarHBondContact O-CG 3.33Å; R764-L768 PolarHBondContact O-N 2.94Å; L765-L768 PolarHBondContact O-N 3.23Å; L768-K770 VanDerWaalsContact C-N 3.29Å; L768-K770 PolarHBondContact O-N 3.07Å; L768-S771 WeakPolarHBondContact O-CA 3.33Å; L768-S771 VanDerWaalsContact O-CB 3.3Å; L768-S771 WeakPolarHBondContact O-CB 3.31Å; L768-S771 PolarHBondContact O-N 2.97Å; L768-S771 VanDerWaalsContact O-N 3.08Å; L768-V772 WeakPolarHBondContact O-CG2 3.4Å; L768-V772 PolarHBondContact O-N 3.16Å; L768-N918 HydrophobicContact CD2-CB 4.07Å; L768-L919 HydrophobicContact CB-CB 4.36Å; L768-L919 HydrophobicContact CB-CD1 4.28Å; L768-L919 HydrophobicContact CB-CG 4.37Å; L768-C922 HydrophobicContact CD1-CB 3.58Å |
| 769 | T | 91.9 | Very high | 89.5 | Confident | 2.66667 Ų | 2.66667 | 46.6 Ų | 46.6 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -38 | 175.8 | -52.5 | 0 | 0 | 0 | 0 | 112 | L765 L766 T767 S771 V772 A773 L834 V835 A838 L919 | L765-T769 WeakPolarHBondContact O-CB 3.34Å; L765-T769 PolarHBondContact O-N 3.02Å; L765-T769 PolarHBondContact O-OG1 2.96Å; L766-T769 PolarHBondContact O-N 3.35Å; T767-T769 VanDerWaalsContact C-N 3.3Å; T767-T769 PolarHBondContact O-N 3.33Å; T769-S771 VanDerWaalsContact C-N 3.32Å; T769-V772 PolarHBondContact O-N 2.89Å; T769-A773 WeakPolarHBondContact O-CB 3.36Å; T769-A773 PolarHBondContact O-N 3.26Å; T769-L834 HydrophobicContact CG2-CD2 4.29Å; T769-L834 HydrophobicContact CG2-CG 3.96Å; T769-V835 HydrophobicContact CG2-CB 4.48Å; T769-V835 HydrophobicContact CG2-CG2 4.06Å; T769-A838 HydrophobicContact CG2-CB 3.73Å; T769-A838 WeakPolarHBondContact OG1-CB 3.28Å; T769-L919 HydrophobicContact CG2-CD1 4.47Å; T769-L919 WeakPolarHBondContact OG1-CD1 3.32Å |
| 770 | K | 93.2 | Very high | 90.3 | Very high | 123.667 Ų | 123.667 | 45.7 Ų | 45.7 | 54% | 0.538 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.7 | -37.9 | 172.8 | -98.1 | 169.2 | -173.1 | 172.4 | 0 | 111.5 | L766 T767 L768 A773 N774 | L766-K770 WeakPolarHBondContact O-CB 3.47Å; L766-K770 WeakPolarHBondContact O-CD 3.32Å; L766-K770 WeakPolarHBondContact O-CE 3.31Å; L766-K770 VanDerWaalsContact O-CG 3.22Å; L766-K770 WeakPolarHBondContact O-CG 3.33Å; L766-K770 PolarHBondContact O-N 3.3Å; L766-K770 VanDerWaalsContact O-N 3.08Å; T767-K770 WeakPolarHBondContact O-CB 3.37Å; T767-K770 PolarHBondContact O-N 3.32Å; T767-K770 VanDerWaalsContact O-N 3.1Å; L768-K770 VanDerWaalsContact C-N 3.29Å; L768-K770 PolarHBondContact O-N 3.07Å; K770-A773 PolarHBondContact O-N 2.93Å; K770-N774 WeakPolarHBondContact O-CB 3.37Å; K770-N774 VanDerWaalsContact O-CG 3.25Å; K770-N774 PolarHBondContact O-N 3.4Å; K770-N774 PolarHBondContact O-ND2 3.18Å; K770-N774 VanDerWaalsContact O-ND2 3.15Å |
| 771 | S | 93.8 | Very high | 91 | Very high | 39.3333 Ų | 39.3333 | 44.8 Ų | 44.8 | 28% | 0.275 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.3 | -86.8 | 0 | 0 | 0 | 0 | 111.9 | T767 L768 T769 A773 N774 A775 E915 | T767-S771 PolarHBondContact O-N 3.46Å; T767-S771 PolarHBondContact O-OG 3.32Å; L768-S771 WeakPolarHBondContact O-CA 3.33Å; L768-S771 VanDerWaalsContact O-CB 3.3Å; L768-S771 WeakPolarHBondContact O-CB 3.31Å; L768-S771 PolarHBondContact O-N 2.97Å; L768-S771 VanDerWaalsContact O-N 3.08Å; T769-S771 VanDerWaalsContact C-N 3.32Å; S771-A773 VanDerWaalsContact C-N 3.33Å; S771-A773 PolarHBondContact O-N 3.04Å; S771-N774 WeakPolarHBondContact O-CB 3.37Å; S771-N774 PolarHBondContact O-N 3.12Å; S771-N774 VanDerWaalsContact O-N 3.13Å; S771-A775 WeakPolarHBondContact O-CB 3.31Å; S771-A775 PolarHBondContact O-N 3.06Å; S771-E915 WeakPolarHBondContact CB-OE1 3.3Å; S771-E915 VanDerWaalsContact CB-OE2 3.29Å; S771-E915 WeakPolarHBondContact CB-OE2 3.32Å; S771-E915 VanDerWaalsContact OG-CD 3.27Å; S771-E915 PolarHBondContact OG-OE1 2.77Å |
| 772 | V | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.8 | -46.4 | 173.6 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | L768 T769 N774 A775 M776 L834 V861 E915 L916 L919 | L768-V772 WeakPolarHBondContact O-CG2 3.4Å; L768-V772 PolarHBondContact O-N 3.16Å; T769-V772 PolarHBondContact O-N 2.89Å; V772-N774 VanDerWaalsContact C-N 3.32Å; V772-N774 PolarHBondContact O-N 3.29Å; V772-A775 PolarHBondContact O-N 3.01Å; V772-M776 WeakPolarHBondContact O-CB 3.33Å; V772-M776 PolarHBondContact O-N 3.18Å; V772-L834 HydrophobicContact CB-CD2 4.3Å; V772-L834 HydrophobicContact CG1-CD2 3.67Å; V772-V861 HydrophobicContact CG1-CG1 4.26Å; V772-E915 HydrophobicContact CB-CB 4.47Å; V772-E915 HydrophobicContact CG2-CB 3.65Å; V772-E915 WeakPolarHBondContact CG2-O 3.41Å; V772-L916 HydrophobicContact CB-CD2 4.46Å; V772-L916 HydrophobicContact CG1-CD2 3.57Å; V772-L916 HydrophobicContact CG1-CG 4.19Å; V772-L916 HydrophobicContact CG2-CD2 3.98Å; V772-L916 HydrophobicContact CG2-CG 4.42Å; V772-L919 HydrophobicContact CG2-CB 4.5Å; V772-L919 HydrophobicContact CG2-CD1 4.09Å; V772-L919 HydrophobicContact CG2-CD2 4.24Å |
| 773 | A | 93 | Very high | 92 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T769 K770 S771 T777 V835 | T769-A773 WeakPolarHBondContact O-CB 3.36Å; T769-A773 PolarHBondContact O-N 3.26Å; K770-A773 PolarHBondContact O-N 2.93Å; S771-A773 VanDerWaalsContact C-N 3.33Å; S771-A773 PolarHBondContact O-N 3.04Å; A773-T777 VanDerWaalsContact O-CB 3.28Å; A773-T777 WeakPolarHBondContact O-CB 3.36Å; A773-T777 PolarHBondContact O-N 3.06Å; A773-T777 PolarHBondContact O-OG1 3.23Å; A773-V835 HydrophobicContact CB-CG2 3.66Å |
| 774 | N | 94.5 | Very high | 92.2 | Very high | 109.667 Ų | 109.667 | 48.9 Ų | 48.9 | 59% | 0.586 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -69.1 | -45.3 | 175 | -73 | -27.9 | 0 | 0 | 0 | 111.8 | K770 S771 V772 M776 T777 G778 | K770-N774 WeakPolarHBondContact O-CB 3.37Å; K770-N774 VanDerWaalsContact O-CG 3.25Å; K770-N774 PolarHBondContact O-N 3.4Å; K770-N774 PolarHBondContact O-ND2 3.18Å; K770-N774 VanDerWaalsContact O-ND2 3.15Å; S771-N774 WeakPolarHBondContact O-CB 3.37Å; S771-N774 PolarHBondContact O-N 3.12Å; S771-N774 VanDerWaalsContact O-N 3.13Å; V772-N774 VanDerWaalsContact C-N 3.32Å; V772-N774 PolarHBondContact O-N 3.29Å; N774-M776 VanDerWaalsContact C-N 3.34Å; N774-M776 PolarHBondContact O-N 3.44Å; N774-T777 WeakPolarHBondContact O-CB 3.37Å; N774-T777 PolarHBondContact O-N 3.08Å; N774-G778 PolarHBondContact O-N 3.3Å |
| 775 | A | 93.9 | Very high | 92.3 | Very high | 17.3333 Ų | 17.3333 | 47.4 Ų | 47.4 | 14% | 0.143 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | S771 V772 T777 G778 L779 V912 E915 | S771-A775 WeakPolarHBondContact O-CB 3.31Å; S771-A775 PolarHBondContact O-N 3.06Å; V772-A775 PolarHBondContact O-N 3.01Å; A775-T777 VanDerWaalsContact C-N 3.34Å; A775-T777 PolarHBondContact O-N 3.11Å; A775-G778 CarbonylContact O-C 3.43Å; A775-G778 VanDerWaalsContact O-CA 3.31Å; A775-G778 WeakPolarHBondContact O-CA 3.42Å; A775-G778 PolarHBondContact O-N 2.97Å; A775-G778 VanDerWaalsContact O-N 3.1Å; A775-L779 PolarHBondContact O-N 3.21Å; A775-V912 HydrophobicContact CB-CG2 3.98Å; A775-E915 HydrophobicContact CB-CG 4.41Å |
| 776 | M | 93.3 | Very high | 92.2 | Very high | 0.666667 Ų | 0.666667 | 47.5 Ų | 47.5 | 0% | 0.003 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | 175.5 | -174.1 | 62.1 | 100.5 | 0 | 0 | 111.9 | V772 N774 G778 L779 V780 A827 A831 V861 A864 A865 V912 | V772-M776 WeakPolarHBondContact O-CB 3.33Å; V772-M776 PolarHBondContact O-N 3.18Å; N774-M776 VanDerWaalsContact C-N 3.34Å; N774-M776 PolarHBondContact O-N 3.44Å; M776-G778 VanDerWaalsContact C-N 3.28Å; M776-G778 PolarHBondContact O-N 3.27Å; M776-L779 WeakPolarHBondContact O-CB 3.31Å; M776-L779 PolarHBondContact O-N 3.26Å; M776-L779 VanDerWaalsContact O-N 3.15Å; M776-L779 HydrophobicContact SD-CB 4.45Å; M776-L779 HydrophobicContact SD-CD2 3.91Å; M776-L779 HydrophobicContact SD-CG 4.49Å; M776-V780 HydrophobicContact CG-CG2 4.36Å; M776-V780 WeakPolarHBondContact O-CB 3.19Å; M776-V780 VanDerWaalsContact O-CG2 3.32Å; M776-V780 WeakPolarHBondContact O-CG2 3.32Å; M776-V780 PolarHBondContact O-N 3.24Å; M776-V780 HydrophobicContact SD-CG2 4.48Å; M776-A827 HydrophobicContact CE-CB 3.84Å; M776-A827 HydrophobicContact CG-CB 4.47Å; M776-A827 HydrophobicContact SD-CB 3.66Å; M776-A831 HydrophobicContact CB-CB 4.05Å; M776-A831 HydrophobicContact CG-CB 3.77Å; M776-V861 HydrophobicContact CE-CG1 3.78Å; M776-A864 HydrophobicContact CE-CB 4.38Å; M776-A865 HydrophobicContact CE-CB 3.86Å; M776-A865 HydrophobicContact SD-CB 4.33Å; M776-V912 HydrophobicContact CB-CG2 4.27Å; M776-V912 HydrophobicContact CE-CG1 4.22Å; M776-V912 HydrophobicContact SD-CG2 4.34Å |
| 777 | T | 93.3 | Very high | 92 | Very high | 66.6667 Ų | 66.6667 | 46.5 Ų | 46.5 | 41% | 0.409 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -35.8 | 173.4 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | A773 N774 A775 V780 K781 | A773-T777 VanDerWaalsContact O-CB 3.28Å; A773-T777 WeakPolarHBondContact O-CB 3.36Å; A773-T777 PolarHBondContact O-N 3.06Å; A773-T777 PolarHBondContact O-OG1 3.23Å; N774-T777 WeakPolarHBondContact O-CB 3.37Å; N774-T777 PolarHBondContact O-N 3.08Å; A775-T777 VanDerWaalsContact C-N 3.34Å; A775-T777 PolarHBondContact O-N 3.11Å; T777-V780 PolarHBondContact O-N 3.41Å; T777-K781 HydrophobicContact CG2-CD 4.39Å; T777-K781 WeakPolarHBondContact O-CB 3.29Å; T777-K781 WeakPolarHBondContact O-CD 3.3Å; T777-K781 VanDerWaalsContact O-CG 3.3Å; T777-K781 WeakPolarHBondContact O-CG 3.29Å; T777-K781 PolarHBondContact O-N 3.09Å |
| 778 | G | 93.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | N774 A775 M776 V780 K781 K782 | N774-G778 PolarHBondContact O-N 3.3Å; A775-G778 CarbonylContact O-C 3.43Å; A775-G778 VanDerWaalsContact O-CA 3.31Å; A775-G778 WeakPolarHBondContact O-CA 3.42Å; A775-G778 PolarHBondContact O-N 2.97Å; A775-G778 VanDerWaalsContact O-N 3.1Å; M776-G778 VanDerWaalsContact C-N 3.28Å; M776-G778 PolarHBondContact O-N 3.27Å; G778-V780 PolarHBondContact O-N 3.03Å; G778-K781 WeakPolarHBondContact O-CB 3.39Å; G778-K781 PolarHBondContact O-N 3.16Å; G778-K782 WeakPolarHBondContact O-CG 3.47Å; G778-K782 PolarHBondContact O-N 3.01Å |
| 779 | L | 93.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 176 | 176.8 | 59.7 | 0 | 0 | 0 | 112.2 | A775 M776 K781 K782 A783 A865 V868 L905 V909 V912 | A775-L779 PolarHBondContact O-N 3.21Å; M776-L779 WeakPolarHBondContact O-CB 3.31Å; M776-L779 PolarHBondContact O-N 3.26Å; M776-L779 VanDerWaalsContact O-N 3.15Å; M776-L779 HydrophobicContact SD-CB 4.45Å; M776-L779 HydrophobicContact SD-CD2 3.91Å; M776-L779 HydrophobicContact SD-CG 4.49Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-K781 PolarHBondContact O-N 3.12Å; L779-K782 PolarHBondContact O-N 3.1Å; L779-A783 WeakPolarHBondContact O-CB 3.43Å; L779-A783 PolarHBondContact O-N 2.9Å; L779-A865 HydrophobicContact CD2-CB 4.06Å; L779-V868 HydrophobicContact CD1-CB 4.41Å; L779-V868 HydrophobicContact CD1-CG1 4.05Å; L779-V868 HydrophobicContact CD2-CB 4.28Å; L779-V868 HydrophobicContact CD2-CG2 4.09Å; L779-V868 HydrophobicContact CG-CB 4.35Å; L779-V868 HydrophobicContact CG-CG1 4.21Å; L779-V868 HydrophobicContact CG-CG2 4.39Å; L779-L905 HydrophobicContact CD1-CB 4.43Å; L779-L905 HydrophobicContact CD1-CD2 3.93Å; L779-L905 WeakPolarHBondContact CD1-O 3.37Å; L779-V909 HydrophobicContact CD1-CG2 4.11Å; L779-V909 HydrophobicContact CD2-CG2 3.73Å; L779-V912 HydrophobicContact CD2-CG2 4.41Å |
| 780 | V | 93.4 | Very high | 91 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | M776 T777 G778 A783 K784 A824 A827 | M776-V780 HydrophobicContact CG-CG2 4.36Å; M776-V780 WeakPolarHBondContact O-CB 3.19Å; M776-V780 VanDerWaalsContact O-CG2 3.32Å; M776-V780 WeakPolarHBondContact O-CG2 3.32Å; M776-V780 PolarHBondContact O-N 3.24Å; M776-V780 HydrophobicContact SD-CG2 4.48Å; T777-V780 PolarHBondContact O-N 3.41Å; G778-V780 PolarHBondContact O-N 3.03Å; V780-A783 PolarHBondContact O-N 3.27Å; V780-K784 HydrophobicContact CG1-CD 4.31Å; V780-K784 WeakPolarHBondContact O-CB 3.34Å; V780-K784 WeakPolarHBondContact O-CG 3.37Å; V780-K784 PolarHBondContact O-N 3.22Å; V780-A824 HydrophobicContact CG1-CB 4.31Å; V780-A824 VanDerWaalsContact CG2-O 3.28Å; V780-A824 WeakPolarHBondContact CG2-O 3.35Å; V780-A827 HydrophobicContact CG2-CB 4.19Å |
| 781 | K | 93 | Very high | 90.5 | Very high | 133.667 Ų | 133.667 | 46.1 Ų | 46.1 | 58% | 0.581 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64.8 | -47.2 | 173.3 | -76.8 | 171.3 | -179.3 | 175.7 | 0 | 111.4 | T777 G778 L779 A783 K784 M785 | T777-K781 HydrophobicContact CG2-CD 4.39Å; T777-K781 WeakPolarHBondContact O-CB 3.29Å; T777-K781 WeakPolarHBondContact O-CD 3.3Å; T777-K781 VanDerWaalsContact O-CG 3.3Å; T777-K781 WeakPolarHBondContact O-CG 3.29Å; T777-K781 PolarHBondContact O-N 3.09Å; G778-K781 WeakPolarHBondContact O-CB 3.39Å; G778-K781 PolarHBondContact O-N 3.16Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-K781 PolarHBondContact O-N 3.12Å; K781-A783 VanDerWaalsContact C-N 3.31Å; K781-A783 PolarHBondContact O-N 2.99Å; K781-K784 PolarHBondContact O-N 3.06Å; K781-M785 HydrophobicContact CB-SD 4.46Å; K781-M785 WeakPolarHBondContact O-CG 3.3Å; K781-M785 PolarHBondContact O-N 3.43Å; K781-M785 VanDerWaalsContact O-SD 3.34Å |
| 782 | K | 91 | Very high | 90 | Very high | 60.3333 Ų | 60.3333 | 50.5 Ų | 50.5 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.6 | -44.7 | 175 | -72.6 | -178.5 | 167.8 | -172.9 | 0 | 111.4 | G778 L779 K784 M785 G786 D904 L905 E907 | G778-K782 WeakPolarHBondContact O-CG 3.47Å; G778-K782 PolarHBondContact O-N 3.01Å; L779-K782 PolarHBondContact O-N 3.1Å; K782-K784 PolarHBondContact O-N 3.33Å; K782-M785 WeakPolarHBondContact O-CB 3.38Å; K782-M785 PolarHBondContact O-N 3.06Å; K782-M785 VanDerWaalsContact O-N 3.13Å; K782-G786 PolarHBondContact O-N 3.16Å; K782-D904 HydrophobicContact CD-CB 4.47Å; K782-D904 VanDerWaalsContact CD-O 3.26Å; K782-D904 WeakPolarHBondContact CD-O 3.4Å; K782-D904 WeakPolarHBondContact CE-O 3.41Å; K782-D904 PolarHBondContact NZ-O 3.22Å; K782-L905 HydrophobicContact CB-CD2 4.07Å; K782-E907 IonicContact NZ-OE2 3.31Å; K782-E907 PolarHBondContact NZ-OE2 3.01Å |
| 783 | A | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | L779 V780 K781 G786 A787 L820 A824 V868 L905 | L779-A783 WeakPolarHBondContact O-CB 3.43Å; L779-A783 PolarHBondContact O-N 2.9Å; V780-A783 PolarHBondContact O-N 3.27Å; K781-A783 VanDerWaalsContact C-N 3.31Å; K781-A783 PolarHBondContact O-N 2.99Å; A783-G786 PolarHBondContact O-N 3.02Å; A783-A787 WeakPolarHBondContact O-CB 3.3Å; A783-A787 PolarHBondContact O-N 3.22Å; A783-L820 HydrophobicContact CB-CD1 3.96Å; A783-L820 HydrophobicContact CB-CG 4.32Å; A783-L820 WeakPolarHBondContact O-CD2 3.25Å; A783-A824 HydrophobicContact CB-CB 3.71Å; A783-V868 HydrophobicContact CB-CG1 3.56Å; A783-V868 VanDerWaalsContact CB-CG1 3.5Å; A783-L905 HydrophobicContact CB-CD2 3.84Å |
| 784 | K | 90.4 | Very high | 88.3 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 173.4 | -103.8 | 177.8 | 179.2 | -177.2 | 0 | 112.1 | V780 K781 K782 A787 L788 | V780-K784 HydrophobicContact CG1-CD 4.31Å; V780-K784 WeakPolarHBondContact O-CB 3.34Å; V780-K784 WeakPolarHBondContact O-CG 3.37Å; V780-K784 PolarHBondContact O-N 3.22Å; K781-K784 PolarHBondContact O-N 3.06Å; K782-K784 PolarHBondContact O-N 3.33Å; K784-A787 PolarHBondContact O-N 3.08Å; K784-L788 WeakPolarHBondContact O-CG 3.44Å; K784-L788 PolarHBondContact O-N 3.23Å; K784-L788 VanDerWaalsContact O-N 3.17Å |
| 785 | M | 88.9 | Confident | 87.4 | Confident | 125.667 Ų | 125.667 | 48.4 Ų | 48.4 | 62% | 0.619 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 173.4 | -98.6 | 135.1 | 99.4 | 0 | 0 | 110.8 | K781 K782 A787 L788 V789 | K781-M785 HydrophobicContact CB-SD 4.46Å; K781-M785 WeakPolarHBondContact O-CG 3.3Å; K781-M785 PolarHBondContact O-N 3.43Å; K781-M785 VanDerWaalsContact O-SD 3.34Å; K782-M785 WeakPolarHBondContact O-CB 3.38Å; K782-M785 PolarHBondContact O-N 3.06Å; K782-M785 VanDerWaalsContact O-N 3.13Å; M785-A787 VanDerWaalsContact C-N 3.32Å; M785-A787 PolarHBondContact O-N 3Å; M785-L788 WeakPolarHBondContact O-CA 3.3Å; M785-L788 WeakPolarHBondContact O-CB 3.41Å; M785-L788 PolarHBondContact O-N 2.99Å; M785-L788 VanDerWaalsContact O-N 3.11Å; M785-L788 HydrophobicContact SD-CD1 4.3Å; M785-V789 WeakPolarHBondContact O-CG2 3.44Å; M785-V789 PolarHBondContact O-N 3.04Å |
| 786 | G | 86.4 | Confident | 86.5 | Confident | 2.66667 Ų | 2.66667 | 52.6 Ų | 52.6 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -39.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K782 A783 L788 V789 L790 L901 | K782-G786 PolarHBondContact O-N 3.16Å; A783-G786 PolarHBondContact O-N 3.02Å; G786-L788 VanDerWaalsContact C-N 3.27Å; G786-L788 PolarHBondContact O-N 3.29Å; G786-V789 PolarHBondContact O-N 2.84Å; G786-L790 WeakPolarHBondContact O-CB 3.27Å; G786-L790 VanDerWaalsContact O-CG 3.3Å; G786-L790 WeakPolarHBondContact O-CG 3.22Å; G786-L790 PolarHBondContact O-N 2.96Å; G786-L901 VanDerWaalsContact CA-CD1 3.44Å |
| 787 | A | 87.3 | Confident | 85.3 | Confident | 5.33333 Ų | 5.33333 | 54.4 Ų | 54.4 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69 | -23.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A783 K784 M785 D791 Q817 L820 V821 | A783-A787 WeakPolarHBondContact O-CB 3.3Å; A783-A787 PolarHBondContact O-N 3.22Å; K784-A787 PolarHBondContact O-N 3.08Å; M785-A787 VanDerWaalsContact C-N 3.32Å; M785-A787 PolarHBondContact O-N 3Å; A787-D791 PolarHBondContact O-N 3.28Å; A787-D791 VanDerWaalsContact O-N 3.11Å; A787-Q817 HydrophobicContact CB-CG 4.24Å; A787-Q817 WeakPolarHBondContact O-CG 3.35Å; A787-Q817 PolarHBondContact O-NE2 3.18Å; A787-L820 HydrophobicContact CB-CD2 4.13Å; A787-L820 HydrophobicContact CB-CG 4.48Å; A787-V821 HydrophobicContact CB-CG2 3.56Å |
| 788 | L | 87.6 | Confident | 84.2 | Confident | 104.667 Ų | 104.667 | 53.6 Ų | 53.6 | 55% | 0.548 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -76.7 | -41.7 | 170.6 | -97.9 | 165.8 | 0 | 0 | 0 | 110.9 | K784 M785 G786 L790 D791 E792 | K784-L788 WeakPolarHBondContact O-CG 3.44Å; K784-L788 PolarHBondContact O-N 3.23Å; K784-L788 VanDerWaalsContact O-N 3.17Å; M785-L788 WeakPolarHBondContact O-CA 3.3Å; M785-L788 WeakPolarHBondContact O-CB 3.41Å; M785-L788 PolarHBondContact O-N 2.99Å; M785-L788 VanDerWaalsContact O-N 3.11Å; M785-L788 HydrophobicContact SD-CD1 4.3Å; G786-L788 VanDerWaalsContact C-N 3.27Å; G786-L788 PolarHBondContact O-N 3.29Å; L788-L790 VanDerWaalsContact C-N 3.34Å; L788-L790 PolarHBondContact O-N 2.81Å; L788-D791 WeakPolarHBondContact O-CA 3.42Å; L788-D791 VanDerWaalsContact O-CB 3.27Å; L788-D791 WeakPolarHBondContact O-CB 3.3Å; L788-D791 PolarHBondContact O-N 3.05Å; L788-E792 WeakPolarHBondContact O-CG 3.17Å; L788-E792 PolarHBondContact O-N 3.25Å |
| 789 | V | 84.4 | Confident | 83 | Confident | 51.3333 Ų | 51.3333 | 59.8 Ų | 59.8 | 31% | 0.311 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 172.9 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | M785 G786 D791 E792 E793 V897 | M785-V789 WeakPolarHBondContact O-CG2 3.44Å; M785-V789 PolarHBondContact O-N 3.04Å; G786-V789 PolarHBondContact O-N 2.84Å; V789-D791 VanDerWaalsContact C-N 3.27Å; V789-D791 PolarHBondContact O-N 3.2Å; V789-E792 PolarHBondContact O-N 3.14Å; V789-E792 VanDerWaalsContact O-N 3.15Å; V789-E793 HydrophobicContact CG1-CG 4.47Å; V789-E793 WeakPolarHBondContact CG1-OE1 3.36Å; V789-E793 WeakPolarHBondContact O-CB 3.41Å; V789-E793 VanDerWaalsContact O-CG 3.27Å; V789-E793 WeakPolarHBondContact O-CG 3.38Å; V789-E793 PolarHBondContact O-N 3.12Å; V789-V897 HydrophobicContact CG1-CG1 3.74Å |
| 790 | L | 82.2 | Confident | 81.5 | Confident | 0.666667 Ų | 0.666667 | 65.9 Ų | 65.9 | 0% | 0.003 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -27.2 | 174.3 | -68.4 | 170.5 | 0 | 0 | 0 | 113.3 | G786 L788 V794 L813 Q817 L820 L875 L901 | G786-L790 WeakPolarHBondContact O-CB 3.27Å; G786-L790 VanDerWaalsContact O-CG 3.3Å; G786-L790 WeakPolarHBondContact O-CG 3.22Å; G786-L790 PolarHBondContact O-N 2.96Å; L788-L790 VanDerWaalsContact C-N 3.34Å; L788-L790 PolarHBondContact O-N 2.81Å; L790-V794 VanDerWaalsContact O-CG2 3.24Å; L790-V794 WeakPolarHBondContact O-CG2 3.38Å; L790-V794 PolarHBondContact O-N 3.44Å; L790-V794 VanDerWaalsContact O-N 3.1Å; L790-L813 HydrophobicContact CD2-CD2 4.13Å; L790-Q817 HydrophobicContact CB-CB 4.1Å; L790-Q817 HydrophobicContact CB-CG 4.26Å; L790-Q817 HydrophobicContact CD1-CB 4.39Å; L790-L820 HydrophobicContact CD1-CD2 4.01Å; L790-L875 HydrophobicContact CD1-CD1 4.43Å; L790-L875 HydrophobicContact CD2-CD1 3.68Å; L790-L901 HydrophobicContact CD1-CD2 4.44Å; L790-L901 HydrophobicContact CG-CD2 4.49Å |
| 791 | D | 82.8 | Confident | 79.9 | Confident | 53 Ų | 53 | 69 Ų | 69 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.6 | -44.5 | 173.6 | -158.7 | 68.7 | 0 | 0 | 0 | 111.6 | A787 L788 V789 E793 V794 N795 Q817 | A787-D791 PolarHBondContact O-N 3.28Å; A787-D791 VanDerWaalsContact O-N 3.11Å; L788-D791 WeakPolarHBondContact O-CA 3.42Å; L788-D791 VanDerWaalsContact O-CB 3.27Å; L788-D791 WeakPolarHBondContact O-CB 3.3Å; L788-D791 PolarHBondContact O-N 3.05Å; V789-D791 VanDerWaalsContact C-N 3.27Å; V789-D791 PolarHBondContact O-N 3.2Å; D791-E793 VanDerWaalsContact C-N 3.33Å; D791-E793 PolarHBondContact O-N 3.21Å; D791-V794 WeakPolarHBondContact O-CB 3.2Å; D791-V794 PolarHBondContact O-N 3.04Å; D791-N795 WeakPolarHBondContact O-CB 3.29Å; D791-N795 VanDerWaalsContact O-CG 3.25Å; D791-N795 PolarHBondContact O-N 3.26Å; D791-N795 PolarHBondContact O-ND2 3.11Å; D791-N795 PolarHBondContact OD2-ND2 3.27Å; D791-N795 VanDerWaalsContact OD2-ND2 3.14Å; D791-Q817 VanDerWaalsContact CB-NE2 3.28Å; D791-Q817 VanDerWaalsContact CG-NE2 3.35Å; D791-Q817 PolarHBondContact OD1-NE2 3.03Å |
| 792 | E | 82.5 | Confident | 78 | Confident | 132 Ų | 132 | 72.3 Ų | 72.3 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61 | -43 | 177.4 | -142.5 | 169.1 | -165.6 | 0 | 0 | 110.8 | L788 V789 N795 Q796 | L788-E792 WeakPolarHBondContact O-CG 3.17Å; L788-E792 PolarHBondContact O-N 3.25Å; V789-E792 PolarHBondContact O-N 3.14Å; V789-E792 VanDerWaalsContact O-N 3.15Å; E792-N795 PolarHBondContact O-N 3.1Å; E792-Q796 WeakPolarHBondContact O-CB 3.35Å; E792-Q796 PolarHBondContact O-N 3.08Å |
| 793 | E | 75.1 | Confident | 76.3 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 171.7 | -72.6 | 174.6 | -173.9 | 0 | 0 | 111.9 | V789 D791 N795 Q796 Y797 M894 V897 H898 | V789-E793 HydrophobicContact CG1-CG 4.47Å; V789-E793 WeakPolarHBondContact CG1-OE1 3.36Å; V789-E793 WeakPolarHBondContact O-CB 3.41Å; V789-E793 VanDerWaalsContact O-CG 3.27Å; V789-E793 WeakPolarHBondContact O-CG 3.38Å; V789-E793 PolarHBondContact O-N 3.12Å; D791-E793 VanDerWaalsContact C-N 3.33Å; D791-E793 PolarHBondContact O-N 3.21Å; E793-N795 VanDerWaalsContact C-N 3.28Å; E793-N795 PolarHBondContact O-N 2.84Å; E793-Q796 PolarHBondContact O-N 3.15Å; E793-Y797 WeakPolarHBondContact O-CB 3.35Å; E793-Y797 VanDerWaalsContact O-CD2 3.24Å; E793-Y797 WeakPolarHBondContact O-CD2 3.42Å; E793-Y797 PolarHBondContact O-N 2.99Å; E793-M894 HydrophobicContact CB-CE 3.77Å; E793-M894 VanDerWaalsContact CD-CE 3.41Å; E793-M894 HydrophobicContact CG-CE 3.73Å; E793-M894 HydrophobicContact CG-SD 3.89Å; E793-M894 VanDerWaalsContact OE1-CE 3.31Å; E793-M894 WeakPolarHBondContact OE1-CE 3.39Å; E793-M894 VanDerWaalsContact OE2-CE 3.25Å; E793-M894 WeakPolarHBondContact OE2-CE 3.36Å; E793-V897 WeakPolarHBondContact OE1-CG1 3.32Å; E793-H898 VanDerWaalsContact CD-NE2 3.27Å; E793-H898 IonicContact OE1-CD2 2.87Å; E793-H898 PolarHBondContact OE1-CD2 3.27Å; E793-H898 IonicContact OE1-NE2 3.02Å; E793-H898 PolarHBondContact OE1-NE2 3.22Å; E793-H898 VanDerWaalsContact OE1-NE2 3.08Å; E793-H898 IonicContact OE2-CD2 3.45Å; E793-H898 IonicContact OE2-CE1 3.03Å; E793-H898 IonicContact OE2-NE2 3.31Å; E793-H898 PolarHBondContact OE2-NE2 2.95Å |
| 794 | V | 75.7 | Confident | 74.7 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 176.4 | 165 | 0 | 0 | 0 | 0 | 111.4 | L790 D791 L798 V810 L813 R814 | L790-V794 VanDerWaalsContact O-CG2 3.24Å; L790-V794 WeakPolarHBondContact O-CG2 3.38Å; L790-V794 PolarHBondContact O-N 3.44Å; L790-V794 VanDerWaalsContact O-N 3.1Å; D791-V794 WeakPolarHBondContact O-CB 3.2Å; D791-V794 PolarHBondContact O-N 3.04Å; V794-L798 HydrophobicContact CG1-CD1 4Å; V794-L798 WeakPolarHBondContact O-CB 3.22Å; V794-L798 WeakPolarHBondContact O-CD1 3.45Å; V794-L798 VanDerWaalsContact O-CG 3.23Å; V794-L798 WeakPolarHBondContact O-CG 3.32Å; V794-L798 PolarHBondContact O-N 3.06Å; V794-L798 VanDerWaalsContact O-N 3.1Å; V794-V810 HydrophobicContact CG1-CG1 4.07Å; V794-L813 HydrophobicContact CG2-CB 3.45Å; V794-L813 VanDerWaalsContact CG2-CB 3.45Å; V794-L813 HydrophobicContact CG2-CD1 4.06Å; V794-L813 HydrophobicContact CG2-CG 4.41Å; V794-R814 HydrophobicContact CG1-CG 4.28Å; V794-R814 HydrophobicContact CG2-CG 4.44Å |
| 795 | N | 76.5 | Confident | 73.2 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | 179.1 | -68.7 | -40.3 | 0 | 0 | 0 | 111.8 | D791 E792 E793 L798 M799 | D791-N795 WeakPolarHBondContact O-CB 3.29Å; D791-N795 VanDerWaalsContact O-CG 3.25Å; D791-N795 PolarHBondContact O-N 3.26Å; D791-N795 PolarHBondContact O-ND2 3.11Å; D791-N795 PolarHBondContact OD2-ND2 3.27Å; D791-N795 VanDerWaalsContact OD2-ND2 3.14Å; E792-N795 PolarHBondContact O-N 3.1Å; E793-N795 VanDerWaalsContact C-N 3.28Å; E793-N795 PolarHBondContact O-N 2.84Å; N795-L798 PolarHBondContact O-N 3.3Å; N795-M799 WeakPolarHBondContact O-CB 3.45Å; N795-M799 WeakPolarHBondContact O-CG 3.35Å; N795-M799 PolarHBondContact O-N 3.15Å |
| 796 | Q | 74.7 | Confident | 71.7 | Confident | 105.333 Ų | 105.333 | 75.2 Ų | 75.2 | 49% | 0.492 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 174.9 | -173.5 | 173.7 | 2 | 0 | 0 | 111.2 | E792 E793 L798 M799 E800 | E792-Q796 WeakPolarHBondContact O-CB 3.35Å; E792-Q796 PolarHBondContact O-N 3.08Å; E793-Q796 PolarHBondContact O-N 3.15Å; Q796-L798 VanDerWaalsContact C-N 3.31Å; Q796-L798 PolarHBondContact O-N 3.23Å; Q796-M799 WeakPolarHBondContact O-CB 3.4Å; Q796-M799 PolarHBondContact O-N 3.26Å; Q796-M799 VanDerWaalsContact O-N 3.12Å; Q796-E800 HydrophobicContact CG-CG 4.35Å; Q796-E800 VanDerWaalsContact CG-OE1 3.29Å; Q796-E800 WeakPolarHBondContact CG-OE1 3.37Å; Q796-E800 PolarHBondContact NE2-OE1 3.36Å; Q796-E800 PolarHBondContact O-N 3.22Å |
| 797 | Y | 68 | Low | 70.8 | Confident | 39.3333 Ų | 39.3333 | 77.8 Ų | 77.8 | 15% | 0.154 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.2 | -39.1 | 174.6 | -92.3 | -76.8 | 0 | 0 | 0 | 112.8 | E793 M799 N801 T803 L813 F887 M894 | E793-Y797 WeakPolarHBondContact O-CB 3.35Å; E793-Y797 VanDerWaalsContact O-CD2 3.24Å; E793-Y797 WeakPolarHBondContact O-CD2 3.42Å; E793-Y797 PolarHBondContact O-N 2.99Å; Y797-M799 VanDerWaalsContact C-N 3.35Å; Y797-N801 WeakPolarHBondContact O-CB 3.4Å; Y797-N801 PolarHBondContact O-N 3.12Å; Y797-T803 PolarHBondContact O-OG1 3.37Å; Y797-L813 HydrophobicContact CD2-CD1 4.07Å; Y797-L813 HydrophobicContact CE2-CD1 4.26Å; Y797-F887 HydrophobicContact CE1-CE1 4.29Å; Y797-F887 VanDerWaalsContact OH-CD1 3.3Å; Y797-F887 WeakPolarHBondContact OH-CD1 3.21Å; Y797-F887 VanDerWaalsContact OH-CE1 3.27Å; Y797-F887 WeakPolarHBondContact OH-CE1 3.42Å; Y797-M894 HydrophobicContact CE2-CG 4.46Å; Y797-M894 HydrophobicContact CE2-SD 3.73Å; Y797-M894 WeakPolarHBondContact CE2-SD 3.3Å; Y797-M894 PolarHBondContact OH-SD 2.85Å |
| 798 | L | 70.4 | Confident | 69.9 | Low | 50 Ų | 50 | 83.3 Ų | 83.3 | 26% | 0.262 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.2 | -32.2 | 175.2 | -80.3 | 164.9 | 0 | 0 | 0 | 113 | V794 N795 Q796 V810 | V794-L798 HydrophobicContact CG1-CD1 4Å; V794-L798 WeakPolarHBondContact O-CB 3.22Å; V794-L798 WeakPolarHBondContact O-CD1 3.45Å; V794-L798 VanDerWaalsContact O-CG 3.23Å; V794-L798 WeakPolarHBondContact O-CG 3.32Å; V794-L798 PolarHBondContact O-N 3.06Å; V794-L798 VanDerWaalsContact O-N 3.1Å; N795-L798 PolarHBondContact O-N 3.3Å; Q796-L798 VanDerWaalsContact C-N 3.31Å; Q796-L798 PolarHBondContact O-N 3.23Å; L798-V810 HydrophobicContact CD2-CG2 4.41Å |
| 799 | M | 67.8 | Low | 68.9 | Low | 161 Ų | 161 | 80.9 Ų | 80.9 | 79% | 0.793 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -75.7 | -44.2 | 178.2 | -69.1 | -111.3 | 98 | 0 | 0 | 112.6 | N795 Q796 Y797 | N795-M799 WeakPolarHBondContact O-CB 3.45Å; N795-M799 WeakPolarHBondContact O-CG 3.35Å; N795-M799 PolarHBondContact O-N 3.15Å; Q796-M799 WeakPolarHBondContact O-CB 3.4Å; Q796-M799 PolarHBondContact O-N 3.26Å; Q796-M799 VanDerWaalsContact O-N 3.12Å; Y797-M799 VanDerWaalsContact C-N 3.35Å |
| 800 | E | 62.6 | Low | 68.3 | Low | 128.667 Ų | 128.667 | 78.8 Ų | 78.8 | 60% | 0.601 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -78.5 | -39.4 | -171.4 | -70.1 | -179.7 | -175 | 0 | 0 | 113 | Q796 | Q796-E800 HydrophobicContact CG-CG 4.35Å; Q796-E800 VanDerWaalsContact CG-OE1 3.29Å; Q796-E800 WeakPolarHBondContact CG-OE1 3.37Å; Q796-E800 PolarHBondContact NE2-OE1 3.36Å; Q796-E800 PolarHBondContact O-N 3.22Å |
| 801 | N | 59.3 | Low | 67.9 | Low | 89 Ų | 89 | 83.8 Ų | 83.8 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -96.3 | -5.1 | -167.7 | -75.8 | -35.2 | 0 | 0 | 0 | 116 | Y797 T803 | Y797-N801 WeakPolarHBondContact O-CB 3.4Å; Y797-N801 PolarHBondContact O-N 3.12Å; N801-T803 HydrophobicContact CB-CG2 3.71Å; N801-T803 VanDerWaalsContact CB-OG1 3.29Å; N801-T803 WeakPolarHBondContact CB-OG1 3.41Å; N801-T803 PolarHBondContact O-N 3.24Å; N801-T803 VanDerWaalsContact O-N 3.14Å |
| 802 | K | 54.2 | Low | 67.6 | Low | 203.25 Ų | 203.25 | 83.7 Ų | 83.7 | 88% | 0.884 | 42% | 0.422 | S | S | * | . | trans | 48.5 | 27.7 | -171.6 | -78.2 | -177.3 | 178.3 | 174.7 | 0 | 113.1 | ||||
| 803 | T | 54.4 | Low | 67.3 | Low | 47 Ų | 47 | 77.6 Ų | 77.6 | 29% | 0.288 | 39% | 0.393 | S | S | . | . | trans | -81.1 | 153.1 | -172.5 | 32.5 | 0 | 0 | 0 | 0 | 111.7 | Y797 N801 D807 | Y797-T803 PolarHBondContact O-OG1 3.37Å; N801-T803 HydrophobicContact CB-CG2 3.71Å; N801-T803 VanDerWaalsContact CB-OG1 3.29Å; N801-T803 WeakPolarHBondContact CB-OG1 3.41Å; N801-T803 PolarHBondContact O-N 3.24Å; N801-T803 VanDerWaalsContact O-N 3.14Å; T803-D807 WeakPolarHBondContact CB-OD2 3.22Å; T803-D807 WeakPolarHBondContact CG2-OD2 3.31Å | ||
| 804 | N | 57.2 | Low | 67.6 | Low | 117.25 Ų | 117.25 | 82.3 Ų | 82.3 | 63% | 0.627 | 41% | 0.411 | S | S | * | . | trans | -68.2 | 145.2 | 178.6 | -78.9 | -51.8 | 0 | 0 | 0 | 109.8 | N806 D807 | N804-N806 PolarHBondContact O-N 3.29Å; N804-D807 PolarHBondContact N-OD2 2.86Å; N804-D807 PolarHBondContact O-N 3.08Å; N804-D807 VanDerWaalsContact O-N 3.09Å | ||
| 805 | P | 60.4 | Low | 68 | Low | 86 Ų | 86 | 89 Ų | 89 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -0.6 | 174.2 | 27.5 | -36.2 | 0 | 0 | 0 | 114.2 | ||
| 806 | N | 57 | Low | 68.3 | Low | 120.75 Ų | 120.75 | 86 Ų | 86 | 65% | 0.646 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 3.3 | 177.9 | -66.8 | -22.3 | 0 | 0 | 0 | 113.5 | N804 Q811 | N804-N806 PolarHBondContact O-N 3.29Å; N806-Q811 PolarHBondContact O-NE2 3.02Å |
| 807 | D | 66.5 | Low | 68.8 | Low | 58 Ų | 58 | 82.5 Ų | 82.5 | 31% | 0.31 | 41% | 0.408 | S | S | . | . | trans | -65.3 | 139.3 | 179.8 | -104.4 | -25.6 | 0 | 0 | 0 | 111.3 | T803 N804 E809 V810 Q811 | T803-D807 WeakPolarHBondContact CB-OD2 3.22Å; T803-D807 WeakPolarHBondContact CG2-OD2 3.31Å; N804-D807 PolarHBondContact N-OD2 2.86Å; N804-D807 PolarHBondContact O-N 3.08Å; N804-D807 VanDerWaalsContact O-N 3.09Å; D807-E809 VanDerWaalsContact C-N 3.27Å; D807-E809 PolarHBondContact O-N 3.06Å; D807-E809 VanDerWaalsContact O-N 3.13Å; D807-V810 HydrophobicContact CB-CB 4.41Å; D807-V810 HydrophobicContact CB-CG2 4.24Å; D807-V810 PolarHBondContact O-N 3Å; D807-V810 VanDerWaalsContact O-N 3.12Å; D807-Q811 WeakPolarHBondContact O-CG 3.35Å; D807-Q811 PolarHBondContact O-N 3.12Å | ||
| 808 | I | 68.5 | Low | 69.7 | Low | 119.75 Ų | 119.75 | 83.1 Ų | 83.1 | 61% | 0.614 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.2 | -37.9 | -171.4 | -63.3 | 171.1 | 0 | 0 | 0 | 110.4 | Q811 T812 A884 | I808-Q811 CarbonylContact O-C 3.6Å; I808-Q811 WeakPolarHBondContact O-CB 3.39Å; I808-Q811 PolarHBondContact O-N 3.18Å; I808-T812 HydrophobicContact CG2-CG2 4.37Å; I808-T812 VanDerWaalsContact O-CG2 3.29Å; I808-T812 WeakPolarHBondContact O-CG2 3.36Å; I808-T812 PolarHBondContact O-N 3.23Å; I808-T812 PolarHBondContact O-OG1 3.16Å; I808-T812 VanDerWaalsContact O-OG1 3.11Å; I808-A884 HydrophobicContact CG2-CB 4.24Å |
| 809 | E | 66.2 | Low | 70.6 | Confident | 55.5 Ų | 55.5 | 83.9 Ų | 83.9 | 26% | 0.259 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.5 | -46.6 | -179.4 | -68.1 | 166.2 | -169.3 | 0 | 0 | 112.4 | D807 Q811 T812 L813 A884 F887 | D807-E809 VanDerWaalsContact C-N 3.27Å; D807-E809 PolarHBondContact O-N 3.06Å; D807-E809 VanDerWaalsContact O-N 3.13Å; E809-Q811 VanDerWaalsContact C-N 3.27Å; E809-Q811 PolarHBondContact O-N 3.01Å; E809-T812 VanDerWaalsContact CA-OG1 3.28Å; E809-T812 WeakPolarHBondContact CA-OG1 3.44Å; E809-T812 PolarHBondContact O-N 3.28Å; E809-T812 VanDerWaalsContact O-N 3.13Å; E809-T812 PolarHBondContact O-OG1 3.2Å; E809-L813 WeakPolarHBondContact O-CG 3.3Å; E809-L813 PolarHBondContact O-N 3.14Å; E809-A884 HydrophobicContact CG-CB 3.95Å; E809-F887 WeakPolarHBondContact OE1-CB 3.4Å |
| 810 | V | 73.1 | Confident | 71.6 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | V794 L798 D807 R814 | V794-V810 HydrophobicContact CG1-CG1 4.07Å; L798-V810 HydrophobicContact CD2-CG2 4.41Å; D807-V810 HydrophobicContact CB-CB 4.41Å; D807-V810 HydrophobicContact CB-CG2 4.24Å; D807-V810 PolarHBondContact O-N 3Å; D807-V810 VanDerWaalsContact O-N 3.12Å; V810-R814 HydrophobicContact CG1-CG 4.29Å; V810-R814 VanDerWaalsContact O-CB 3.24Å; V810-R814 WeakPolarHBondContact O-CB 3.26Å; V810-R814 VanDerWaalsContact O-CG 3.25Å; V810-R814 WeakPolarHBondContact O-CG 3.37Å; V810-R814 PolarHBondContact O-N 3.25Å |
| 811 | Q | 73 | Confident | 72.8 | Confident | 105.5 Ų | 105.5 | 72.9 Ų | 72.9 | 49% | 0.493 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 175.1 | -69.8 | -172.8 | 16.3 | 0 | 0 | 112.6 | N806 D807 I808 E809 K815 | N806-Q811 PolarHBondContact O-NE2 3.02Å; D807-Q811 WeakPolarHBondContact O-CG 3.35Å; D807-Q811 PolarHBondContact O-N 3.12Å; I808-Q811 CarbonylContact O-C 3.6Å; I808-Q811 WeakPolarHBondContact O-CB 3.39Å; I808-Q811 PolarHBondContact O-N 3.18Å; E809-Q811 VanDerWaalsContact C-N 3.27Å; E809-Q811 PolarHBondContact O-N 3.01Å; Q811-K815 WeakPolarHBondContact O-CB 3.26Å; Q811-K815 PolarHBondContact O-N 3.15Å |
| 812 | T | 75.8 | Confident | 74.2 | Confident | 50.5 Ų | 50.5 | 74.2 Ų | 74.2 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 177.3 | 51.7 | 0 | 0 | 0 | 0 | 112 | I808 E809 K815 A816 | I808-T812 HydrophobicContact CG2-CG2 4.37Å; I808-T812 VanDerWaalsContact O-CG2 3.29Å; I808-T812 WeakPolarHBondContact O-CG2 3.36Å; I808-T812 PolarHBondContact O-N 3.23Å; I808-T812 PolarHBondContact O-OG1 3.16Å; I808-T812 VanDerWaalsContact O-OG1 3.11Å; E809-T812 VanDerWaalsContact CA-OG1 3.28Å; E809-T812 WeakPolarHBondContact CA-OG1 3.44Å; E809-T812 PolarHBondContact O-N 3.28Å; E809-T812 VanDerWaalsContact O-N 3.13Å; E809-T812 PolarHBondContact O-OG1 3.2Å; T812-K815 PolarHBondContact O-N 3.29Å; T812-A816 WeakPolarHBondContact O-CB 3.29Å; T812-A816 PolarHBondContact O-N 2.95Å |
| 813 | L | 77.6 | Confident | 75.8 | Confident | 2.75 Ų | 2.75 | 65.6 Ų | 65.6 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 176.2 | -70.7 | 172.5 | 0 | 0 | 0 | 111.7 | L790 V794 Y797 E809 K815 A816 Q817 L875 L888 | L790-L813 HydrophobicContact CD2-CD2 4.13Å; V794-L813 HydrophobicContact CG2-CB 3.45Å; V794-L813 VanDerWaalsContact CG2-CB 3.45Å; V794-L813 HydrophobicContact CG2-CD1 4.06Å; V794-L813 HydrophobicContact CG2-CG 4.41Å; Y797-L813 HydrophobicContact CD2-CD1 4.07Å; Y797-L813 HydrophobicContact CE2-CD1 4.26Å; E809-L813 WeakPolarHBondContact O-CG 3.3Å; E809-L813 PolarHBondContact O-N 3.14Å; L813-K815 VanDerWaalsContact C-N 3.26Å; L813-K815 PolarHBondContact O-N 3.02Å; L813-A816 PolarHBondContact O-N 3.33Å; L813-A816 VanDerWaalsContact O-N 3.15Å; L813-Q817 VanDerWaalsContact O-CB 3.27Å; L813-Q817 WeakPolarHBondContact O-CB 3.23Å; L813-Q817 PolarHBondContact O-N 3.16Å; L813-L875 HydrophobicContact CD2-CD1 4.35Å; L813-L875 HydrophobicContact CD2-CD2 4.12Å; L813-L888 HydrophobicContact CD1-CD2 4.42Å; L813-L888 HydrophobicContact CD2-CD1 4.27Å; L813-L888 HydrophobicContact CD2-CD2 4.49Å |
| 814 | R | 81.4 | Confident | 77.5 | Confident | 112.75 Ų | 112.75 | 63.4 Ų | 63.4 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.8 | -38.6 | 172.9 | -77.7 | -87.7 | -175.2 | 86.1 | 1 | 112.1 | V794 V810 S818 | V794-R814 HydrophobicContact CG1-CG 4.28Å; V794-R814 HydrophobicContact CG2-CG 4.44Å; V810-R814 HydrophobicContact CG1-CG 4.29Å; V810-R814 VanDerWaalsContact O-CB 3.24Å; V810-R814 WeakPolarHBondContact O-CB 3.26Å; V810-R814 VanDerWaalsContact O-CG 3.25Å; V810-R814 WeakPolarHBondContact O-CG 3.37Å; V810-R814 PolarHBondContact O-N 3.25Å; R814-S818 WeakPolarHBondContact O-CB 3.45Å; R814-S818 PolarHBondContact O-N 3.24Å |
| 815 | K | 82.9 | Confident | 79.1 | Confident | 138.75 Ų | 138.75 | 60.8 Ų | 60.8 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.2 | -43.5 | 176.8 | -175.4 | -179.9 | 178.8 | -174.7 | 0 | 111.4 | Q811 T812 L813 S818 N819 | Q811-K815 WeakPolarHBondContact O-CB 3.26Å; Q811-K815 PolarHBondContact O-N 3.15Å; T812-K815 PolarHBondContact O-N 3.29Å; L813-K815 VanDerWaalsContact C-N 3.26Å; L813-K815 PolarHBondContact O-N 3.02Å; K815-S818 PolarHBondContact O-N 3.39Å; K815-N819 VanDerWaalsContact O-CB 3.26Å; K815-N819 WeakPolarHBondContact O-CB 3.39Å; K815-N819 PolarHBondContact O-N 3.45Å; K815-N819 PolarHBondContact O-ND2 3.4Å; K815-N819 PolarHBondContact O-OD1 2.88Å |
| 816 | A | 83 | Confident | 80.3 | Confident | 8 Ų | 8 | 61 Ų | 61 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T812 L813 N819 L820 L875 | T812-A816 WeakPolarHBondContact O-CB 3.29Å; T812-A816 PolarHBondContact O-N 2.95Å; L813-A816 PolarHBondContact O-N 3.33Å; L813-A816 VanDerWaalsContact O-N 3.15Å; A816-N819 PolarHBondContact O-N 3.12Å; A816-L820 VanDerWaalsContact O-CB 3.31Å; A816-L820 WeakPolarHBondContact O-CB 3.35Å; A816-L820 PolarHBondContact O-N 2.93Å; A816-L875 HydrophobicContact CB-CD1 3.91Å; A816-L875 HydrophobicContact CB-CD2 3.8Å; A816-L875 HydrophobicContact CB-CG 3.97Å |
| 817 | Q | 86.5 | Confident | 81.8 | Confident | 31.75 Ų | 31.75 | 55.2 Ų | 55.2 | 15% | 0.148 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.3 | -53.6 | 173.2 | -178 | -158.2 | 25.2 | 0 | 0 | 111.5 | A787 L790 D791 L813 N819 L820 V821 | A787-Q817 HydrophobicContact CB-CG 4.24Å; A787-Q817 WeakPolarHBondContact O-CG 3.35Å; A787-Q817 PolarHBondContact O-NE2 3.18Å; L790-Q817 HydrophobicContact CB-CB 4.1Å; L790-Q817 HydrophobicContact CB-CG 4.26Å; L790-Q817 HydrophobicContact CD1-CB 4.39Å; D791-Q817 VanDerWaalsContact CB-NE2 3.28Å; D791-Q817 VanDerWaalsContact CG-NE2 3.35Å; D791-Q817 PolarHBondContact OD1-NE2 3.03Å; L813-Q817 VanDerWaalsContact O-CB 3.27Å; L813-Q817 WeakPolarHBondContact O-CB 3.23Å; L813-Q817 PolarHBondContact O-N 3.16Å; Q817-N819 VanDerWaalsContact C-N 3.34Å; Q817-N819 PolarHBondContact O-N 3.01Å; Q817-L820 PolarHBondContact O-N 3.16Å; Q817-V821 WeakPolarHBondContact O-CG2 3.42Å; Q817-V821 PolarHBondContact O-N 3.22Å |
| 818 | S | 86.8 | Confident | 82.9 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | R814 K815 L820 V821 H822 | R814-S818 WeakPolarHBondContact O-CB 3.45Å; R814-S818 PolarHBondContact O-N 3.24Å; K815-S818 PolarHBondContact O-N 3.39Å; S818-L820 VanDerWaalsContact C-N 3.32Å; S818-L820 PolarHBondContact O-N 3.08Å; S818-V821 PolarHBondContact O-N 3.04Å; S818-H822 PolarHBondContact O-N 3.1Å; S818-H822 PolarHBondContact O-ND1 3.19Å; S818-H822 PolarHBondContact OG-CE1 3.41Å; S818-H822 VanDerWaalsContact OG-CE1 3.29Å; S818-H822 PolarHBondContact OG-ND1 3.16Å |
| 819 | N | 87.5 | Confident | 83.8 | Confident | 68.25 Ų | 68.25 | 52.8 Ų | 52.8 | 37% | 0.365 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 178.1 | -72.4 | -13 | 0 | 0 | 0 | 112.5 | K815 A816 Q817 H822 S823 P871 | K815-N819 VanDerWaalsContact O-CB 3.26Å; K815-N819 WeakPolarHBondContact O-CB 3.39Å; K815-N819 PolarHBondContact O-N 3.45Å; K815-N819 PolarHBondContact O-ND2 3.4Å; K815-N819 PolarHBondContact O-OD1 2.88Å; A816-N819 PolarHBondContact O-N 3.12Å; Q817-N819 VanDerWaalsContact C-N 3.34Å; Q817-N819 PolarHBondContact O-N 3.01Å; N819-H822 PolarHBondContact O-N 3.09Å; N819-S823 WeakPolarHBondContact O-CB 3.34Å; N819-S823 PolarHBondContact O-N 3.12Å; N819-S823 PolarHBondContact O-OG 3.17Å; N819-P871 HydrophobicContact CB-CB 3.94Å; N819-P871 HydrophobicContact CB-CG 3.92Å |
| 820 | L | 89.4 | Confident | 84.8 | Confident | 0.25 Ų | 0.25 | 50.4 Ų | 50.4 | 0% | 0.001 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 176.3 | -177.2 | 60.5 | 0 | 0 | 0 | 111.4 | A783 A787 L790 A816 Q817 S818 H822 S823 A824 V868 P871 L901 L905 | A783-L820 HydrophobicContact CB-CD1 3.96Å; A783-L820 HydrophobicContact CB-CG 4.32Å; A783-L820 WeakPolarHBondContact O-CD2 3.25Å; A787-L820 HydrophobicContact CB-CD2 4.13Å; A787-L820 HydrophobicContact CB-CG 4.48Å; L790-L820 HydrophobicContact CD1-CD2 4.01Å; A816-L820 VanDerWaalsContact O-CB 3.31Å; A816-L820 WeakPolarHBondContact O-CB 3.35Å; A816-L820 PolarHBondContact O-N 2.93Å; Q817-L820 PolarHBondContact O-N 3.16Å; S818-L820 VanDerWaalsContact C-N 3.32Å; S818-L820 PolarHBondContact O-N 3.08Å; L820-H822 VanDerWaalsContact C-N 3.32Å; L820-H822 PolarHBondContact O-N 3.03Å; L820-S823 PolarHBondContact O-N 3.1Å; L820-A824 VanDerWaalsContact O-CB 3.28Å; L820-A824 WeakPolarHBondContact O-CB 3.32Å; L820-A824 PolarHBondContact O-N 2.87Å; L820-V868 HydrophobicContact CD1-CG1 4.18Å; L820-V868 VanDerWaalsContact CD1-O 3.24Å; L820-V868 WeakPolarHBondContact CD1-O 3.41Å; L820-P871 HydrophobicContact CB-CB 4.2Å; L820-P871 HydrophobicContact CB-CG 4.48Å; L820-L901 HydrophobicContact CD2-CD2 4.42Å; L820-L905 HydrophobicContact CD1-CD1 4.06Å |
| 821 | V | 89.1 | Confident | 85.6 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 35% | 0.345 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 174.7 | 175 | 0 | 0 | 0 | 0 | 111.3 | A787 Q817 S818 A824 T825 | A787-V821 HydrophobicContact CB-CG2 3.56Å; Q817-V821 WeakPolarHBondContact O-CG2 3.42Å; Q817-V821 PolarHBondContact O-N 3.22Å; S818-V821 PolarHBondContact O-N 3.04Å; V821-A824 PolarHBondContact O-N 3.27Å; V821-T825 VanDerWaalsContact O-CB 3.25Å; V821-T825 WeakPolarHBondContact O-CB 3.45Å; V821-T825 PolarHBondContact O-N 3.18Å; V821-T825 PolarHBondContact O-OG1 3.19Å |
| 822 | H | 87.7 | Confident | 86.4 | Confident | 116.75 Ų | 116.75 | 48.3 Ų | 48.3 | 54% | 0.541 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 176.7 | -75.9 | 81.7 | 0 | 0 | 0 | 111.8 | S818 N819 L820 T825 R826 | S818-H822 PolarHBondContact O-N 3.1Å; S818-H822 PolarHBondContact O-ND1 3.19Å; S818-H822 PolarHBondContact OG-CE1 3.41Å; S818-H822 VanDerWaalsContact OG-CE1 3.29Å; S818-H822 PolarHBondContact OG-ND1 3.16Å; N819-H822 PolarHBondContact O-N 3.09Å; L820-H822 VanDerWaalsContact C-N 3.32Å; L820-H822 PolarHBondContact O-N 3.03Å; H822-T825 PolarHBondContact O-N 3.03Å; H822-R826 WeakPolarHBondContact O-CB 3.38Å; H822-R826 PolarHBondContact O-N 3.03Å |
| 823 | S | 88 | Confident | 87 | Confident | 23.5 Ų | 23.5 | 46.8 Ų | 46.8 | 16% | 0.164 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.8 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | N819 L820 T825 R826 A827 A867 | N819-S823 WeakPolarHBondContact O-CB 3.34Å; N819-S823 PolarHBondContact O-N 3.12Å; N819-S823 PolarHBondContact O-OG 3.17Å; L820-S823 PolarHBondContact O-N 3.1Å; S823-T825 VanDerWaalsContact C-N 3.32Å; S823-T825 PolarHBondContact O-N 3.18Å; S823-R826 WeakPolarHBondContact O-CB 3.37Å; S823-R826 PolarHBondContact O-N 3.33Å; S823-R826 VanDerWaalsContact O-N 3.16Å; S823-A827 WeakPolarHBondContact O-CB 3.38Å; S823-A827 PolarHBondContact O-N 3.03Å; S823-A867 VanDerWaalsContact CB-O 3.24Å; S823-A867 WeakPolarHBondContact CB-O 3.09Å; S823-A867 PolarHBondContact OG-O 3.01Å |
| 824 | A | 90.6 | Very high | 87.7 | Confident | 1.25 Ų | 1.25 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V780 A783 L820 V821 A827 G828 | V780-A824 HydrophobicContact CG1-CB 4.31Å; V780-A824 VanDerWaalsContact CG2-O 3.28Å; V780-A824 WeakPolarHBondContact CG2-O 3.35Å; A783-A824 HydrophobicContact CB-CB 3.71Å; L820-A824 VanDerWaalsContact O-CB 3.28Å; L820-A824 WeakPolarHBondContact O-CB 3.32Å; L820-A824 PolarHBondContact O-N 2.87Å; V821-A824 PolarHBondContact O-N 3.27Å; A824-A827 PolarHBondContact O-N 3.24Å; A824-G828 PolarHBondContact O-N 3.14Å |
| 825 | T | 89.1 | Confident | 88.1 | Confident | 61.5 Ų | 61.5 | 43.4 Ų | 43.4 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 176 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | V821 H822 S823 G828 K829 | V821-T825 VanDerWaalsContact O-CB 3.25Å; V821-T825 WeakPolarHBondContact O-CB 3.45Å; V821-T825 PolarHBondContact O-N 3.18Å; V821-T825 PolarHBondContact O-OG1 3.19Å; H822-T825 PolarHBondContact O-N 3.03Å; S823-T825 VanDerWaalsContact C-N 3.32Å; S823-T825 PolarHBondContact O-N 3.18Å; T825-G828 PolarHBondContact O-N 3.15Å; T825-K829 HydrophobicContact CG2-CD 4.39Å; T825-K829 WeakPolarHBondContact O-CB 3.41Å; T825-K829 VanDerWaalsContact O-CG 3.29Å; T825-K829 WeakPolarHBondContact O-CG 3.36Å; T825-K829 PolarHBondContact O-N 3.1Å |
| 826 | R | 87 | Confident | 88.4 | Confident | 89.75 Ų | 89.75 | 37.4 Ų | 37.4 | 34% | 0.339 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 173.2 | -178.2 | 179.8 | 151.6 | 120.3 | 0.8 | 110.8 | N597 H822 S823 G828 K829 T830 E860 A864 | N597-R826 VanDerWaalsContact CG-NH2 3.29Å; N597-R826 PolarHBondContact ND2-NH2 2.86Å; N597-R826 VanDerWaalsContact OD1-CZ 3.23Å; N597-R826 PolarHBondContact OD1-NH1 3.19Å; N597-R826 PolarHBondContact OD1-NH2 3.37Å; H822-R826 WeakPolarHBondContact O-CB 3.38Å; H822-R826 PolarHBondContact O-N 3.03Å; S823-R826 WeakPolarHBondContact O-CB 3.37Å; S823-R826 PolarHBondContact O-N 3.33Å; S823-R826 VanDerWaalsContact O-N 3.16Å; R826-G828 VanDerWaalsContact C-N 3.34Å; R826-G828 PolarHBondContact O-N 3.14Å; R826-K829 WeakPolarHBondContact O-CA 3.39Å; R826-K829 WeakPolarHBondContact O-CB 3.34Å; R826-K829 PolarHBondContact O-N 3.37Å; R826-K829 VanDerWaalsContact O-N 3.08Å; R826-T830 HydrophobicContact CG-CG2 4.43Å; R826-T830 PolarHBondContact O-N 3.08Å; R826-T830 PolarHBondContact O-OG1 2.95Å; R826-E860 IonicContact NH2-OE2 3.16Å; R826-E860 PolarHBondContact NH2-OE2 2.93Å; R826-A864 HydrophobicContact CG-CB 4.23Å |
| 827 | A | 89 | Confident | 88.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | M776 V780 S823 A824 K829 T830 A831 A864 V868 | M776-A827 HydrophobicContact CE-CB 3.84Å; M776-A827 HydrophobicContact CG-CB 4.47Å; M776-A827 HydrophobicContact SD-CB 3.66Å; V780-A827 HydrophobicContact CG2-CB 4.19Å; S823-A827 WeakPolarHBondContact O-CB 3.38Å; S823-A827 PolarHBondContact O-N 3.03Å; A824-A827 PolarHBondContact O-N 3.24Å; A827-K829 PolarHBondContact O-N 2.88Å; A827-T830 WeakPolarHBondContact CA-OG1 3.46Å; A827-T830 PolarHBondContact O-N 3.36Å; A827-T830 PolarHBondContact O-OG1 3.04Å; A827-T830 VanDerWaalsContact O-OG1 3.08Å; A827-A831 WeakPolarHBondContact O-CB 3.35Å; A827-A831 PolarHBondContact O-N 3.3Å; A827-A831 VanDerWaalsContact O-N 3.13Å; A827-A864 HydrophobicContact CB-CB 4.4Å; A827-V868 HydrophobicContact CB-CG2 3.78Å |
| 828 | G | 89.4 | Confident | 88.8 | Confident | 24.75 Ų | 24.75 | 35.7 Ų | 35.7 | 26% | 0.255 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.4 | -37 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A824 T825 R826 S832 | A824-G828 PolarHBondContact O-N 3.14Å; T825-G828 PolarHBondContact O-N 3.15Å; R826-G828 VanDerWaalsContact C-N 3.34Å; R826-G828 PolarHBondContact O-N 3.14Å; G828-S832 PolarHBondContact O-N 3.24Å; G828-S832 VanDerWaalsContact O-N 3.14Å; G828-S832 PolarHBondContact O-OG 3.18Å; G828-S832 VanDerWaalsContact O-OG 3.08Å |
| 829 | K | 86.9 | Confident | 89 | Confident | 102.25 Ų | 102.25 | 36.1 Ų | 36.1 | 45% | 0.445 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.4 | -42.3 | 177.6 | -77 | 175.7 | 179 | -177.3 | 0 | 112.4 | R705 T825 R826 A827 S832 Q833 | R705-K829 PolarHBondContact NH2-O 3.15Å; T825-K829 HydrophobicContact CG2-CD 4.39Å; T825-K829 WeakPolarHBondContact O-CB 3.41Å; T825-K829 VanDerWaalsContact O-CG 3.29Å; T825-K829 WeakPolarHBondContact O-CG 3.36Å; T825-K829 PolarHBondContact O-N 3.1Å; R826-K829 WeakPolarHBondContact O-CA 3.39Å; R826-K829 WeakPolarHBondContact O-CB 3.34Å; R826-K829 PolarHBondContact O-N 3.37Å; R826-K829 VanDerWaalsContact O-N 3.08Å; A827-K829 PolarHBondContact O-N 2.88Å; K829-S832 WeakPolarHBondContact O-CB 3.46Å; K829-S832 PolarHBondContact O-N 3.16Å; K829-Q833 WeakPolarHBondContact O-CG 3.29Å; K829-Q833 PolarHBondContact O-N 3.38Å; K829-Q833 VanDerWaalsContact O-N 3.13Å; K829-Q833 PolarHBondContact O-OE1 3.07Å |
| 830 | T | 87.5 | Confident | 89.1 | Confident | 4.75 Ų | 4.75 | 33.5 Ų | 33.5 | 3% | 0.029 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.4 | -36.5 | 177.7 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | R826 A827 S832 Q833 L834 V861 A864 | R826-T830 HydrophobicContact CG-CG2 4.43Å; R826-T830 PolarHBondContact O-N 3.08Å; R826-T830 PolarHBondContact O-OG1 2.95Å; A827-T830 WeakPolarHBondContact CA-OG1 3.46Å; A827-T830 PolarHBondContact O-N 3.36Å; A827-T830 PolarHBondContact O-OG1 3.04Å; A827-T830 VanDerWaalsContact O-OG1 3.08Å; T830-S832 VanDerWaalsContact C-N 3.33Å; T830-S832 PolarHBondContact O-N 3.43Å; T830-Q833 WeakPolarHBondContact O-CB 3.28Å; T830-Q833 PolarHBondContact O-N 3.03Å; T830-Q833 VanDerWaalsContact O-N 3.16Å; T830-L834 PolarHBondContact O-N 3.41Å; T830-V861 WeakPolarHBondContact O-CG2 3.37Å; T830-A864 HydrophobicContact CG2-CB 4.07Å; T830-A864 VanDerWaalsContact OG1-CB 3.27Å; T830-A864 WeakPolarHBondContact OG1-CB 3.41Å |
| 831 | A | 90 | Very high | 88.9 | Confident | 5.5 Ų | 5.5 | 33.6 Ų | 33.6 | 5% | 0.045 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M776 A827 Q833 L834 V835 | M776-A831 HydrophobicContact CB-CB 4.05Å; M776-A831 HydrophobicContact CG-CB 3.77Å; A827-A831 WeakPolarHBondContact O-CB 3.35Å; A827-A831 PolarHBondContact O-N 3.3Å; A827-A831 VanDerWaalsContact O-N 3.13Å; A831-Q833 VanDerWaalsContact C-N 3.31Å; A831-Q833 PolarHBondContact O-N 3.08Å; A831-L834 PolarHBondContact O-N 2.98Å; A831-V835 WeakPolarHBondContact O-CG2 3.32Å; A831-V835 PolarHBondContact O-N 3.2Å; A831-V835 VanDerWaalsContact O-N 3.07Å |
| 832 | S | 89.7 | Confident | 88.6 | Confident | 63.75 Ų | 63.75 | 31.2 Ų | 31.2 | 45% | 0.446 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 174.9 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | G828 K829 T830 V835 T836 | G828-S832 PolarHBondContact O-N 3.24Å; G828-S832 VanDerWaalsContact O-N 3.14Å; G828-S832 PolarHBondContact O-OG 3.18Å; G828-S832 VanDerWaalsContact O-OG 3.08Å; K829-S832 WeakPolarHBondContact O-CB 3.46Å; K829-S832 PolarHBondContact O-N 3.16Å; T830-S832 VanDerWaalsContact C-N 3.33Å; T830-S832 PolarHBondContact O-N 3.43Å; S832-V835 PolarHBondContact O-N 3.2Å; S832-T836 PolarHBondContact O-N 3.09Å; S832-T836 VanDerWaalsContact O-N 3.11Å; S832-T836 PolarHBondContact O-OG1 3.1Å; S832-T836 VanDerWaalsContact O-OG1 3.11Å |
| 833 | Q | 88.4 | Confident | 88.2 | Confident | 17.5 Ų | 17.5 | 26.1 Ų | 26.1 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 173 | -121 | -175.2 | -26.6 | 0 | 0 | 111.8 | I589 E593 R705 L709 K829 T830 A831 V835 T836 C837 | I589-Q833 HydrophobicContact CG2-CG 3.43Å; I589-Q833 VanDerWaalsContact CG2-CG 3.47Å; I589-Q833 PolarHBondContact O-NE2 2.99Å; E593-Q833 WeakPolarHBondContact OE1-CB 3.44Å; E593-Q833 VanDerWaalsContact OE1-CG 3.31Å; E593-Q833 WeakPolarHBondContact OE1-CG 3.32Å; E593-Q833 PolarHBondContact OE1-NE2 3.47Å; E593-Q833 PolarHBondContact OE1-OE1 3.18Å; E593-Q833 PolarHBondContact OE2-OE1 3.46Å; E593-Q833 VanDerWaalsContact OE2-OE1 3.05Å; R705-Q833 VanDerWaalsContact NH2-NE2 3.14Å; L709-Q833 HydrophobicContact CD1-CG 4.32Å; L709-Q833 HydrophobicContact CD2-CG 4.27Å; K829-Q833 WeakPolarHBondContact O-CG 3.29Å; K829-Q833 PolarHBondContact O-N 3.38Å; K829-Q833 VanDerWaalsContact O-N 3.13Å; K829-Q833 PolarHBondContact O-OE1 3.07Å; T830-Q833 WeakPolarHBondContact O-CB 3.28Å; T830-Q833 PolarHBondContact O-N 3.03Å; T830-Q833 VanDerWaalsContact O-N 3.16Å; A831-Q833 VanDerWaalsContact C-N 3.31Å; A831-Q833 PolarHBondContact O-N 3.08Å; Q833-V835 VanDerWaalsContact C-N 3.34Å; Q833-V835 PolarHBondContact O-N 3.08Å; Q833-T836 WeakPolarHBondContact O-CB 3.5Å; Q833-T836 PolarHBondContact O-N 3.15Å; Q833-T836 VanDerWaalsContact O-N 3.16Å; Q833-C837 VanDerWaalsContact O-CB 3.24Å; Q833-C837 WeakPolarHBondContact O-CB 3.25Å; Q833-C837 PolarHBondContact O-N 2.89Å |
| 834 | L | 90.9 | Very high | 87.9 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 177.5 | 177.2 | 68.9 | 0 | 0 | 0 | 111.4 | T769 V772 T830 A831 T836 C837 A838 L854 T857 I858 V861 L916 L919 | T769-L834 HydrophobicContact CG2-CD2 4.29Å; T769-L834 HydrophobicContact CG2-CG 3.96Å; V772-L834 HydrophobicContact CB-CD2 4.3Å; V772-L834 HydrophobicContact CG1-CD2 3.67Å; T830-L834 PolarHBondContact O-N 3.41Å; A831-L834 PolarHBondContact O-N 2.98Å; L834-T836 VanDerWaalsContact C-N 3.3Å; L834-T836 PolarHBondContact O-N 3.28Å; L834-C837 WeakPolarHBondContact O-CB 3.12Å; L834-C837 PolarHBondContact O-N 3.39Å; L834-A838 VanDerWaalsContact O-CB 3.29Å; L834-A838 WeakPolarHBondContact O-CB 3.36Å; L834-A838 PolarHBondContact O-N 3.02Å; L834-L854 HydrophobicContact CD1-CD1 3.66Å; L834-T857 WeakPolarHBondContact CD1-OG1 3.37Å; L834-I858 HydrophobicContact CD1-CG1 3.96Å; L834-V861 HydrophobicContact CB-CG2 3.88Å; L834-V861 HydrophobicContact CD2-CB 4.49Å; L834-V861 HydrophobicContact CD2-CG1 4.48Å; L834-V861 HydrophobicContact CD2-CG2 4.09Å; L834-V861 HydrophobicContact CG-CG2 4.46Å; L834-L916 HydrophobicContact CD2-CD2 4.27Å; L834-L919 HydrophobicContact CD1-CD2 4.41Å; L834-L919 HydrophobicContact CD2-CD2 4.29Å |
| 835 | V | 90.9 | Very high | 87.5 | Confident | 43.75 Ų | 43.75 | 26 Ų | 26 | 27% | 0.265 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | T769 A773 A831 S832 Q833 K839 | T769-V835 HydrophobicContact CG2-CB 4.48Å; T769-V835 HydrophobicContact CG2-CG2 4.06Å; A773-V835 HydrophobicContact CB-CG2 3.66Å; A831-V835 WeakPolarHBondContact O-CG2 3.32Å; A831-V835 PolarHBondContact O-N 3.2Å; A831-V835 VanDerWaalsContact O-N 3.07Å; S832-V835 PolarHBondContact O-N 3.2Å; Q833-V835 VanDerWaalsContact C-N 3.34Å; Q833-V835 PolarHBondContact O-N 3.08Å; V835-K839 WeakPolarHBondContact O-CB 3.27Å; V835-K839 WeakPolarHBondContact O-CG 3.38Å; V835-K839 PolarHBondContact O-N 3.06Å; V835-K839 VanDerWaalsContact O-N 3.09Å |
| 836 | T | 88.7 | Confident | 87 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 8% | 0.08 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.8 | -44.5 | 178 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | I589 L709 A712 S832 Q833 L834 K839 V840 | I589-T836 HydrophobicContact CD1-CG2 3.84Å; L709-T836 HydrophobicContact CB-CG2 4.31Å; L709-T836 HydrophobicContact CD2-CG2 4.02Å; L709-T836 VanDerWaalsContact O-CG2 3.24Å; L709-T836 WeakPolarHBondContact O-CG2 3.38Å; A712-T836 HydrophobicContact CB-CG2 3.84Å; S832-T836 PolarHBondContact O-N 3.09Å; S832-T836 VanDerWaalsContact O-N 3.11Å; S832-T836 PolarHBondContact O-OG1 3.1Å; S832-T836 VanDerWaalsContact O-OG1 3.11Å; Q833-T836 WeakPolarHBondContact O-CB 3.5Å; Q833-T836 PolarHBondContact O-N 3.15Å; Q833-T836 VanDerWaalsContact O-N 3.16Å; L834-T836 VanDerWaalsContact C-N 3.3Å; L834-T836 PolarHBondContact O-N 3.28Å; T836-K839 PolarHBondContact O-N 3.03Å; T836-V840 WeakPolarHBondContact O-CG2 3.3Å; T836-V840 PolarHBondContact O-N 2.96Å; T836-V840 VanDerWaalsContact O-N 3.12Å |
| 837 | C | 89 | Confident | 86.9 | Confident | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.034 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 177 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | Q833 L834 K839 V840 V841 Q853 T857 | Q833-C837 VanDerWaalsContact O-CB 3.24Å; Q833-C837 WeakPolarHBondContact O-CB 3.25Å; Q833-C837 PolarHBondContact O-N 2.89Å; L834-C837 WeakPolarHBondContact O-CB 3.12Å; L834-C837 PolarHBondContact O-N 3.39Å; C837-K839 VanDerWaalsContact C-N 3.31Å; C837-K839 PolarHBondContact O-N 3.24Å; C837-V840 PolarHBondContact O-N 3.09Å; C837-V840 VanDerWaalsContact O-N 3.14Å; C837-V841 VanDerWaalsContact O-CB 3.29Å; C837-V841 WeakPolarHBondContact O-CB 3.35Å; C837-V841 VanDerWaalsContact O-CG2 3.29Å; C837-V841 WeakPolarHBondContact O-CG2 3.39Å; C837-V841 PolarHBondContact O-N 3.26Å; C837-Q853 PolarHBondContact SG-NE2 3.14Å; C837-T857 HydrophobicContact CB-CG2 4.1Å; C837-T857 PolarHBondContact SG-OG1 3.16Å; C837-T857 VanDerWaalsContact SG-OG1 3.38Å |
| 838 | A | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L765 L766 T769 L834 V840 V841 A842 L854 | L765-A838 HydrophobicContact CD2-CB 4.23Å; L766-A838 HydrophobicContact CD2-CB 4.43Å; T769-A838 HydrophobicContact CG2-CB 3.73Å; T769-A838 WeakPolarHBondContact OG1-CB 3.28Å; L834-A838 VanDerWaalsContact O-CB 3.29Å; L834-A838 WeakPolarHBondContact O-CB 3.36Å; L834-A838 PolarHBondContact O-N 3.02Å; A838-V840 PolarHBondContact O-N 3.01Å; A838-V841 PolarHBondContact O-N 3.29Å; A838-A842 WeakPolarHBondContact O-CA 3.34Å; A838-A842 VanDerWaalsContact O-CB 3.25Å; A838-A842 WeakPolarHBondContact O-CB 3.34Å; A838-A842 PolarHBondContact O-N 3.14Å; A838-L854 HydrophobicContact CB-CD1 4.17Å |
| 839 | K | 89.7 | Confident | 86.2 | Confident | 58.25 Ų | 58.25 | 21.8 Ų | 21.8 | 25% | 0.253 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 174.3 | -83.7 | -174.1 | 163.2 | -144.2 | 0 | 113.2 | S713 G716 D717 L766 V835 T836 C837 | S713-K839 WeakPolarHBondContact OG-CD 3.3Å; S713-K839 PolarHBondContact OG-NZ 3.24Å; G716-K839 WeakPolarHBondContact CA-O 3.31Å; D717-K839 WeakPolarHBondContact OD1-CE 3.37Å; D717-K839 IonicContact OD1-NZ 3.13Å; D717-K839 PolarHBondContact OD1-NZ 3.23Å; D717-K839 IonicContact OD2-NZ 3.06Å; D717-K839 PolarHBondContact OD2-NZ 3.03Å; L766-K839 HydrophobicContact CD2-CG 4.1Å; V835-K839 WeakPolarHBondContact O-CB 3.27Å; V835-K839 WeakPolarHBondContact O-CG 3.38Å; V835-K839 PolarHBondContact O-N 3.06Å; V835-K839 VanDerWaalsContact O-N 3.09Å; T836-K839 PolarHBondContact O-N 3.03Å; C837-K839 VanDerWaalsContact C-N 3.31Å; C837-K839 PolarHBondContact O-N 3.24Å |
| 840 | V | 89.1 | Confident | 86.1 | Confident | 14.25 Ų | 14.25 | 17 Ų | 17 | 9% | 0.086 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.9 | -44.4 | 178.4 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | T582 T585 I589 A712 T836 C837 A838 | T582-V840 WeakPolarHBondContact CB-O 3.45Å; T582-V840 HydrophobicContact CG2-CG1 4.37Å; T582-V840 WeakPolarHBondContact O-CG1 3.37Å; T585-V840 HydrophobicContact CG2-CG1 4.02Å; T585-V840 HydrophobicContact CG2-CG2 4.07Å; I589-V840 HydrophobicContact CD1-CG2 4.17Å; A712-V840 HydrophobicContact CB-CG2 4.5Å; A712-V840 VanDerWaalsContact O-CG2 3.24Å; A712-V840 WeakPolarHBondContact O-CG2 3.43Å; T836-V840 WeakPolarHBondContact O-CG2 3.3Å; T836-V840 PolarHBondContact O-N 2.96Å; T836-V840 VanDerWaalsContact O-N 3.12Å; C837-V840 PolarHBondContact O-N 3.09Å; C837-V840 VanDerWaalsContact O-N 3.14Å; A838-V840 PolarHBondContact O-N 3.01Å |
| 841 | V | 85.5 | Confident | 86 | Confident | 2.75 Ų | 2.75 | 18.2 Ų | 18.2 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -76.3 | -22.6 | -176.8 | 166.3 | 0 | 0 | 0 | 0 | 113 | C837 A838 C843 T844 M845 S850 L854 | C837-V841 VanDerWaalsContact O-CB 3.29Å; C837-V841 WeakPolarHBondContact O-CB 3.35Å; C837-V841 VanDerWaalsContact O-CG2 3.29Å; C837-V841 WeakPolarHBondContact O-CG2 3.39Å; C837-V841 PolarHBondContact O-N 3.26Å; A838-V841 PolarHBondContact O-N 3.29Å; V841-C843 PolarHBondContact O-N 3.32Å; V841-T844 CarbonylContact O-C 3.59Å; V841-T844 VanDerWaalsContact O-C 3.28Å; V841-T844 WeakPolarHBondContact O-CA 3.35Å; V841-T844 PolarHBondContact O-N 3.15Å; V841-T844 PolarHBondContact O-OG1 3.17Å; V841-M845 WeakPolarHBondContact O-CA 3.48Å; V841-M845 PolarHBondContact O-N 3.22Å; V841-S850 VanDerWaalsContact CG1-CB 3.48Å; V841-L854 HydrophobicContact CG1-CB 4.39Å; V841-L854 HydrophobicContact CG1-CD2 4.16Å |
| 842 | A | 84.1 | Confident | 85.8 | Confident | 6.25 Ų | 6.25 | 22.9 Ų | 22.9 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R762 L765 L766 A838 T844 M845 | R762-A842 VanDerWaalsContact CD-O 3.25Å; R762-A842 WeakPolarHBondContact CD-O 3.38Å; R762-A842 VanDerWaalsContact CG-O 3.27Å; R762-A842 WeakPolarHBondContact CG-O 3.43Å; R762-A842 PolarHBondContact NE-O 3.13Å; L765-A842 HydrophobicContact CD2-CB 4.46Å; L766-A842 HydrophobicContact CD1-CB 4.3Å; L766-A842 HydrophobicContact CD2-CB 4.13Å; L766-A842 HydrophobicContact CG-CB 4.23Å; A838-A842 WeakPolarHBondContact O-CA 3.34Å; A838-A842 VanDerWaalsContact O-CB 3.25Å; A838-A842 WeakPolarHBondContact O-CB 3.34Å; A838-A842 PolarHBondContact O-N 3.14Å; A842-T844 VanDerWaalsContact C-N 3.32Å; A842-M845 HydrophobicContact CB-CE 4.21Å; A842-M845 WeakPolarHBondContact O-CE 3.37Å |
| 843 | C | 79.4 | Confident | 85.7 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -26.6 | 175.7 | -65.4 | 0 | 0 | 0 | 0 | 113.1 | T582 S719 R720 L723 R762 V841 | T582-C843 HydrophobicContact CG2-CB 4.36Å; S719-C843 VanDerWaalsContact CB-SG 3.58Å; S719-C843 WeakPolarHBondContact CB-SG 3.45Å; R720-C843 PolarHBondContact N-SG 3.48Å; L723-C843 HydrophobicContact CD1-CB 3.74Å; R762-C843 PolarHBondContact NH2-O 2.71Å; V841-C843 PolarHBondContact O-N 3.32Å |
| 844 | T | 80.5 | Confident | 85.7 | Confident | 20.5 Ų | 20.5 | 20.8 Ų | 20.8 | 13% | 0.126 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 16 | -170.6 | 49.9 | 0 | 0 | 0 | 0 | 113.8 | T582 V841 A842 E846 Q847 S850 | T582-T844 WeakPolarHBondContact OG1-CG2 3.35Å; T582-T844 PolarHBondContact OG1-OG1 3.18Å; V841-T844 CarbonylContact O-C 3.59Å; V841-T844 VanDerWaalsContact O-C 3.28Å; V841-T844 WeakPolarHBondContact O-CA 3.35Å; V841-T844 PolarHBondContact O-N 3.15Å; V841-T844 PolarHBondContact O-OG1 3.17Å; A842-T844 VanDerWaalsContact C-N 3.32Å; T844-E846 PolarHBondContact O-N 3.34Å; T844-Q847 VanDerWaalsContact O-CB 3.26Å; T844-Q847 WeakPolarHBondContact O-CB 3.41Å; T844-Q847 PolarHBondContact O-N 3.06Å; T844-S850 WeakPolarHBondContact O-CB 3.2Å; T844-S850 PolarHBondContact O-OG 3.02Å |
| 845 | M | 82.6 | Confident | 85.6 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -20.4 | -171.9 | 120.8 | 175 | 53.8 | 0 | 0 | 115.1 | A761 R762 L765 V841 A842 Q847 S850 Q851 T926 | A761-M845 HydrophobicContact CB-CE 4.47Å; R762-M845 HydrophobicContact CB-CE 4.11Å; R762-M845 HydrophobicContact CG-CE 3.73Å; R762-M845 HydrophobicContact CG-SD 3.91Å; L765-M845 HydrophobicContact CB-CE 3.83Å; L765-M845 HydrophobicContact CB-SD 4.13Å; L765-M845 HydrophobicContact CD1-CE 3.47Å; L765-M845 VanDerWaalsContact CD1-CE 3.47Å; L765-M845 HydrophobicContact CD1-SD 3.97Å; L765-M845 HydrophobicContact CD2-CE 3.89Å; L765-M845 HydrophobicContact CD2-SD 3.7Å; L765-M845 HydrophobicContact CG-CE 4.15Å; L765-M845 HydrophobicContact CG-SD 4.08Å; V841-M845 WeakPolarHBondContact O-CA 3.48Å; V841-M845 PolarHBondContact O-N 3.22Å; A842-M845 HydrophobicContact CB-CE 4.21Å; A842-M845 WeakPolarHBondContact O-CE 3.37Å; M845-Q847 VanDerWaalsContact C-N 3.3Å; M845-Q847 PolarHBondContact O-N 3.06Å; M845-S850 WeakPolarHBondContact CA-OG 3.26Å; M845-Q851 WeakPolarHBondContact O-CG 3.31Å; M845-Q851 PolarHBondContact O-NE2 3.04Å; M845-T926 HydrophobicContact CE-CG2 3.45Å; M845-T926 WeakPolarHBondContact CG-OG1 3.28Å; M845-T926 HydrophobicContact SD-CG2 3.81Å; M845-T926 VanDerWaalsContact SD-CG2 3.57Å; M845-T926 PolarHBondContact SD-OG1 3.27Å; M845-T926 VanDerWaalsContact SD-OG1 3.4Å |
| 846 | E | 79.5 | Confident | 85.5 | Confident | 23.5 Ų | 23.5 | 25.9 Ų | 25.9 | 11% | 0.11 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24.2 | 175.3 | -60.2 | 145.9 | -148.6 | 0 | 0 | 112.2 | R762 T844 Q851 F1056 R1059 L1060 | R762-E846 IonicContact CZ-OE1 3.37Å; R762-E846 VanDerWaalsContact CZ-OE1 3.28Å; R762-E846 IonicContact NE-OE1 3.7Å; R762-E846 IonicContact NH1-OE1 3.02Å; R762-E846 PolarHBondContact NH1-OE1 3.01Å; R762-E846 IonicContact NH2-OE1 3.29Å; R762-E846 PolarHBondContact NH2-OE1 3.08Å; R762-E846 IonicContact NH2-OE2 2.7Å; T844-E846 PolarHBondContact O-N 3.34Å; E846-Q851 PolarHBondContact O-NE2 3.46Å; E846-F1056 HydrophobicContact CB-CE2 4.42Å; E846-F1056 HydrophobicContact CB-CZ 3.9Å; E846-F1056 HydrophobicContact CG-CE2 4.02Å; E846-F1056 HydrophobicContact CG-CZ 3.78Å; E846-F1056 WeakPolarHBondContact OE2-CE2 3.26Å; E846-R1059 IonicContact OE2-CZ 3.53Å; E846-R1059 IonicContact OE2-NH1 3.7Å; E846-R1059 PolarHBondContact OE2-NH1 3.36Å; E846-R1059 IonicContact OE2-NH2 3.68Å; E846-R1059 PolarHBondContact OE2-NH2 3.38Å; E846-L1060 HydrophobicContact CB-CD1 3.86Å; E846-L1060 HydrophobicContact CB-CD2 4.21Å; E846-L1060 WeakPolarHBondContact O-CD1 3.43Å; E846-L1060 VanDerWaalsContact O-CD2 3.26Å; E846-L1060 WeakPolarHBondContact O-CD2 3.38Å |
| 847 | Q | 83.2 | Confident | 85.4 | Confident | 18 Ų | 18 | 25.5 Ų | 25.5 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -74.3 | 134.2 | -178.9 | -65.4 | -124.2 | -27.8 | 0 | 0 | 111.6 | M583 T844 M845 E849 S850 Q851 L1060 N1064 N1161 | M583-Q847 HydrophobicContact CE-CB 4.43Å; M583-Q847 HydrophobicContact CE-CG 4.37Å; M583-Q847 HydrophobicContact SD-CB 3.71Å; M583-Q847 HydrophobicContact SD-CG 4.15Å; T844-Q847 VanDerWaalsContact O-CB 3.26Å; T844-Q847 WeakPolarHBondContact O-CB 3.41Å; T844-Q847 PolarHBondContact O-N 3.06Å; M845-Q847 VanDerWaalsContact C-N 3.3Å; M845-Q847 PolarHBondContact O-N 3.06Å; Q847-E849 VanDerWaalsContact C-N 3.31Å; Q847-E849 PolarHBondContact O-N 3.07Å; Q847-S850 WeakPolarHBondContact CB-OG 3.41Å; Q847-S850 WeakPolarHBondContact O-CB 3.45Å; Q847-S850 PolarHBondContact O-N 3.09Å; Q847-S850 VanDerWaalsContact O-N 3.11Å; Q847-S850 PolarHBondContact O-OG 3.07Å; Q847-Q851 WeakPolarHBondContact O-CG 3.43Å; Q847-Q851 PolarHBondContact O-N 3.24Å; Q847-Q851 VanDerWaalsContact O-N 3.12Å; Q847-L1060 HydrophobicContact CG-CD1 4.13Å; Q847-L1060 VanDerWaalsContact NE2-CD1 3.28Å; Q847-N1064 PolarHBondContact NE2-ND2 3.36Å; Q847-N1064 VanDerWaalsContact NE2-ND2 3.13Å; Q847-N1064 PolarHBondContact NE2-OD1 3.18Å; Q847-N1064 PolarHBondContact OE1-ND2 3.17Å; Q847-N1064 PolarHBondContact OE1-OD1 3.1Å; Q847-N1161 PolarHBondContact OE1-ND2 3.22Å; Q847-N1161 VanDerWaalsContact OE1-ND2 3.13Å |
| 848 | P | 82.1 | Confident | 85.5 | Confident | 13.5 Ų | 13.5 | 25.9 Ų | 25.9 | 9% | 0.088 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.8 | -33 | -173.1 | 24.8 | -31.8 | 0 | 0 | 0 | 112.6 | S850 Q851 Q852 N1161 A1164 C1165 | P848-S850 VanDerWaalsContact C-N 3.35Å; P848-Q851 PolarHBondContact O-N 3.06Å; P848-Q852 WeakPolarHBondContact O-CB 3.36Å; P848-Q852 VanDerWaalsContact O-CG 3.27Å; P848-Q852 WeakPolarHBondContact O-CG 3.24Å; P848-Q852 PolarHBondContact O-N 3.16Å; P848-N1161 WeakPolarHBondContact CG-OD1 3.3Å; P848-A1164 HydrophobicContact CB-CB 4.27Å; P848-A1164 HydrophobicContact CG-CB 3.91Å; P848-C1165 VanDerWaalsContact CD-SG 3.55Å; P848-C1165 WeakPolarHBondContact CD-SG 3.35Å; P848-C1165 VanDerWaalsContact CG-SG 3.56Å |
| 849 | E | 82.7 | Confident | 85.5 | Confident | 33.75 Ų | 33.75 | 31.5 Ų | 31.5 | 16% | 0.158 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.9 | -176.2 | -177.6 | 173.3 | 0 | 0 | 112.5 | M583 R587 Q847 Q851 Q852 Q853 R1160 N1161 | M583-E849 WeakPolarHBondContact CB-OE1 3.42Å; M583-E849 HydrophobicContact SD-CB 3.86Å; R587-E849 IonicContact CZ-OE1 3.11Å; R587-E849 IonicContact CZ-OE2 3.7Å; R587-E849 IonicContact NE-OE1 2.73Å; R587-E849 PolarHBondContact NE-OE1 3.11Å; R587-E849 IonicContact NH1-OE1 3.84Å; R587-E849 PolarHBondContact NH1-OE1 2.87Å; R587-E849 IonicContact NH1-OE2 3.43Å; R587-E849 PolarHBondContact NH1-OE2 3.13Å; R587-E849 IonicContact NH2-OE1 2.68Å; R587-E849 PolarHBondContact NH2-OE1 3.17Å; R587-E849 VanDerWaalsContact NH2-OE1 3.09Å; R587-E849 IonicContact NH2-OE2 3.26Å; R587-E849 PolarHBondContact NH2-OE2 3.21Å; Q847-E849 VanDerWaalsContact C-N 3.31Å; Q847-E849 PolarHBondContact O-N 3.07Å; E849-Q851 VanDerWaalsContact C-N 3.29Å; E849-Q851 PolarHBondContact O-N 3.37Å; E849-Q852 WeakPolarHBondContact O-CB 3.23Å; E849-Q852 PolarHBondContact O-N 3.33Å; E849-Q852 VanDerWaalsContact O-N 3.15Å; E849-Q853 WeakPolarHBondContact O-CB 3.36Å; E849-Q853 VanDerWaalsContact O-CG 3.26Å; E849-Q853 WeakPolarHBondContact O-CG 3.4Å; E849-Q853 PolarHBondContact O-N 3.1Å; E849-Q853 PolarHBondContact OE1-NE2 3.15Å; E849-R1160 IonicContact OE1-NH2 3.96Å; E849-R1160 PolarHBondContact OE1-NH2 3.28Å; E849-N1161 HydrophobicContact CB-CB 4.48Å; E849-N1161 VanDerWaalsContact CB-OD1 3.27Å; E849-N1161 WeakPolarHBondContact CB-OD1 3.34Å; E849-N1161 PolarHBondContact N-OD1 3.09Å |
| 850 | S | 84.5 | Confident | 85.5 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 178.8 | 78.1 | 0 | 0 | 0 | 0 | 111.3 | V841 T844 M845 Q847 P848 Q853 L854 | V841-S850 VanDerWaalsContact CG1-CB 3.48Å; T844-S850 WeakPolarHBondContact O-CB 3.2Å; T844-S850 PolarHBondContact O-OG 3.02Å; M845-S850 WeakPolarHBondContact CA-OG 3.26Å; Q847-S850 WeakPolarHBondContact CB-OG 3.41Å; Q847-S850 WeakPolarHBondContact O-CB 3.45Å; Q847-S850 PolarHBondContact O-N 3.09Å; Q847-S850 VanDerWaalsContact O-N 3.11Å; Q847-S850 PolarHBondContact O-OG 3.07Å; P848-S850 VanDerWaalsContact C-N 3.35Å; S850-Q853 PolarHBondContact O-N 3.23Å; S850-L854 WeakPolarHBondContact O-CB 3.38Å; S850-L854 PolarHBondContact O-N 3.2Å |
| 851 | Q | 85.8 | Confident | 85.6 | Confident | 29.25 Ų | 29.25 | 30.1 Ų | 30.1 | 14% | 0.137 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 171.5 | -68.6 | 179.2 | 1.4 | 0 | 0 | 111.7 | M845 E846 Q847 P848 E849 Q853 L854 M855 L923 S927 | M845-Q851 WeakPolarHBondContact O-CG 3.31Å; M845-Q851 PolarHBondContact O-NE2 3.04Å; E846-Q851 PolarHBondContact O-NE2 3.46Å; Q847-Q851 WeakPolarHBondContact O-CG 3.43Å; Q847-Q851 PolarHBondContact O-N 3.24Å; Q847-Q851 VanDerWaalsContact O-N 3.12Å; P848-Q851 PolarHBondContact O-N 3.06Å; E849-Q851 VanDerWaalsContact C-N 3.29Å; E849-Q851 PolarHBondContact O-N 3.37Å; Q851-Q853 VanDerWaalsContact C-N 3.33Å; Q851-Q853 PolarHBondContact O-N 3.14Å; Q851-L854 PolarHBondContact O-N 3.16Å; Q851-M855 WeakPolarHBondContact O-CB 3.43Å; Q851-M855 VanDerWaalsContact O-CG 3.25Å; Q851-M855 WeakPolarHBondContact O-CG 3.46Å; Q851-M855 PolarHBondContact O-N 3.24Å; Q851-L923 HydrophobicContact CB-CD1 4.38Å; Q851-L923 HydrophobicContact CB-CD2 4.06Å; Q851-L923 HydrophobicContact CG-CD1 3.95Å; Q851-L923 HydrophobicContact CG-CD2 4.06Å; Q851-L923 HydrophobicContact CG-CG 4.38Å; Q851-S927 PolarHBondContact OE1-OG 3.42Å |
| 852 | Q | 86 | Confident | 85.9 | Confident | 104.75 Ų | 104.75 | 30.8 Ų | 30.8 | 49% | 0.489 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.3 | -74.6 | 174.7 | 15.1 | 0 | 0 | 112 | P848 E849 M855 H856 | P848-Q852 WeakPolarHBondContact O-CB 3.36Å; P848-Q852 VanDerWaalsContact O-CG 3.27Å; P848-Q852 WeakPolarHBondContact O-CG 3.24Å; P848-Q852 PolarHBondContact O-N 3.16Å; E849-Q852 WeakPolarHBondContact O-CB 3.23Å; E849-Q852 PolarHBondContact O-N 3.33Å; E849-Q852 VanDerWaalsContact O-N 3.15Å; Q852-M855 WeakPolarHBondContact O-CB 3.34Å; Q852-M855 PolarHBondContact O-N 3.19Å; Q852-H856 VanDerWaalsContact O-CB 3.29Å; Q852-H856 WeakPolarHBondContact O-CB 3.38Å; Q852-H856 PolarHBondContact O-N 3.15Å |
| 853 | Q | 86.6 | Confident | 86.3 | Confident | 36.75 Ų | 36.75 | 34.8 Ų | 34.8 | 17% | 0.172 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -45.8 | 177 | -120.6 | 162.8 | -5.4 | 0 | 0 | 111.5 | M583 G586 R587 C837 E849 S850 Q851 M855 H856 T857 | M583-Q853 PolarHBondContact O-NE2 3.4Å; G586-Q853 VanDerWaalsContact CA-CD 3.4Å; R587-Q853 VanDerWaalsContact CG-NE2 3.3Å; C837-Q853 PolarHBondContact SG-NE2 3.14Å; E849-Q853 WeakPolarHBondContact O-CB 3.36Å; E849-Q853 VanDerWaalsContact O-CG 3.26Å; E849-Q853 WeakPolarHBondContact O-CG 3.4Å; E849-Q853 PolarHBondContact O-N 3.1Å; E849-Q853 PolarHBondContact OE1-NE2 3.15Å; S850-Q853 PolarHBondContact O-N 3.23Å; Q851-Q853 VanDerWaalsContact C-N 3.33Å; Q851-Q853 PolarHBondContact O-N 3.14Å; Q853-M855 VanDerWaalsContact C-N 3.34Å; Q853-M855 PolarHBondContact O-N 3.2Å; Q853-H856 WeakPolarHBondContact O-CB 3.47Å; Q853-H856 PolarHBondContact O-N 3.09Å; Q853-H856 VanDerWaalsContact O-N 3.11Å; Q853-T857 WeakPolarHBondContact O-CG2 3.47Å; Q853-T857 PolarHBondContact O-N 2.95Å; Q853-T857 PolarHBondContact O-OG1 3.29Å |
| 854 | L | 88.9 | Confident | 86.8 | Confident | 0.25 Ų | 0.25 | 34.4 Ų | 34.4 | 0% | 0.001 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 177.6 | -172.3 | 55.6 | 0 | 0 | 0 | 111 | L765 L834 A838 V841 S850 Q851 H856 T857 I858 L923 | L765-L854 HydrophobicContact CD1-CD2 4.02Å; L765-L854 HydrophobicContact CD2-CD2 4.09Å; L765-L854 HydrophobicContact CG-CD2 4.39Å; L834-L854 HydrophobicContact CD1-CD1 3.66Å; A838-L854 HydrophobicContact CB-CD1 4.17Å; V841-L854 HydrophobicContact CG1-CB 4.39Å; V841-L854 HydrophobicContact CG1-CD2 4.16Å; S850-L854 WeakPolarHBondContact O-CB 3.38Å; S850-L854 PolarHBondContact O-N 3.2Å; Q851-L854 PolarHBondContact O-N 3.16Å; L854-H856 VanDerWaalsContact C-N 3.32Å; L854-H856 PolarHBondContact O-N 3.12Å; L854-T857 WeakPolarHBondContact CA-OG1 3.23Å; L854-T857 PolarHBondContact O-N 3.02Å; L854-T857 VanDerWaalsContact O-N 3.13Å; L854-T857 PolarHBondContact O-OG1 3.26Å; L854-I858 HydrophobicContact CD1-CD1 4.41Å; L854-I858 HydrophobicContact CD1-CG1 4.45Å; L854-I858 HydrophobicContact CG-CD1 4.16Å; L854-I858 WeakPolarHBondContact O-CB 3.45Å; L854-I858 WeakPolarHBondContact O-CD1 3.36Å; L854-I858 VanDerWaalsContact O-CG1 3.26Å; L854-I858 WeakPolarHBondContact O-CG1 3.42Å; L854-I858 PolarHBondContact O-N 3.28Å; L854-L923 HydrophobicContact CB-CD1 4.11Å; L854-L923 HydrophobicContact CB-CD2 4.14Å; L854-L923 HydrophobicContact CD2-CD1 3.7Å; L854-L923 VanDerWaalsContact CD2-CD1 3.44Å; L854-L923 HydrophobicContact CD2-CD2 3.75Å; L854-L923 VanDerWaalsContact CD2-CD2 3.42Å; L854-L923 HydrophobicContact CD2-CG 4.23Å; L854-L923 HydrophobicContact CG-CD1 3.82Å; L854-L923 HydrophobicContact CG-CD2 4.34Å |
| 855 | M | 88.8 | Confident | 87.3 | Confident | 62.25 Ų | 62.25 | 33.4 Ų | 33.4 | 31% | 0.307 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.9 | -37.9 | 172.4 | -158.5 | 157.6 | 58.2 | 0 | 0 | 112.7 | Q851 Q852 Q853 I858 K859 L920 L923 | Q851-M855 WeakPolarHBondContact O-CB 3.43Å; Q851-M855 VanDerWaalsContact O-CG 3.25Å; Q851-M855 WeakPolarHBondContact O-CG 3.46Å; Q851-M855 PolarHBondContact O-N 3.24Å; Q852-M855 WeakPolarHBondContact O-CB 3.34Å; Q852-M855 PolarHBondContact O-N 3.19Å; Q853-M855 VanDerWaalsContact C-N 3.34Å; Q853-M855 PolarHBondContact O-N 3.2Å; M855-I858 PolarHBondContact O-N 2.9Å; M855-K859 HydrophobicContact CG-CD 4.38Å; M855-K859 WeakPolarHBondContact O-CD 3.39Å; M855-K859 VanDerWaalsContact O-CG 3.29Å; M855-K859 WeakPolarHBondContact O-CG 3.35Å; M855-K859 PolarHBondContact O-N 3.08Å; M855-K859 VanDerWaalsContact O-N 3.12Å; M855-L920 HydrophobicContact CE-CD1 3.84Å; M855-L920 VanDerWaalsContact CE-CD1 3.47Å; M855-L920 HydrophobicContact CG-CD1 4.04Å; M855-L920 HydrophobicContact SD-CD1 3.89Å; M855-L923 HydrophobicContact CB-CD2 4.44Å; M855-L923 HydrophobicContact CE-CD2 4.25Å; M855-L923 HydrophobicContact CG-CD2 3.89Å; M855-L923 HydrophobicContact SD-CD2 4.15Å |
| 856 | H | 88 | Confident | 87.8 | Confident | 88.5 Ų | 88.5 | 37 Ų | 37 | 41% | 0.41 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 174.5 | -178.9 | -19.9 | 0 | 0 | 0 | 111.2 | Q852 Q853 L854 I858 K859 E860 | Q852-H856 VanDerWaalsContact O-CB 3.29Å; Q852-H856 WeakPolarHBondContact O-CB 3.38Å; Q852-H856 PolarHBondContact O-N 3.15Å; Q853-H856 WeakPolarHBondContact O-CB 3.47Å; Q853-H856 PolarHBondContact O-N 3.09Å; Q853-H856 VanDerWaalsContact O-N 3.11Å; L854-H856 VanDerWaalsContact C-N 3.32Å; L854-H856 PolarHBondContact O-N 3.12Å; H856-I858 VanDerWaalsContact C-N 3.34Å; H856-I858 PolarHBondContact O-N 3.3Å; H856-K859 WeakPolarHBondContact O-CB 3.46Å; H856-K859 PolarHBondContact O-N 3.12Å; H856-K859 VanDerWaalsContact O-N 3.17Å; H856-E860 VanDerWaalsContact CE1-CD 3.44Å; H856-E860 IonicContact CE1-OE1 3.09Å; H856-E860 PolarHBondContact CE1-OE1 3.18Å; H856-E860 IonicContact ND1-OE1 3.22Å; H856-E860 WeakPolarHBondContact O-CG 3.48Å; H856-E860 PolarHBondContact O-N 3.32Å |
| 857 | T | 87.7 | Confident | 88.3 | Confident | 5.25 Ų | 5.25 | 37 Ų | 37 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -36.1 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | L834 C837 Q853 L854 K859 E860 V861 | L834-T857 WeakPolarHBondContact CD1-OG1 3.37Å; C837-T857 HydrophobicContact CB-CG2 4.1Å; C837-T857 PolarHBondContact SG-OG1 3.16Å; C837-T857 VanDerWaalsContact SG-OG1 3.38Å; Q853-T857 WeakPolarHBondContact O-CG2 3.47Å; Q853-T857 PolarHBondContact O-N 2.95Å; Q853-T857 PolarHBondContact O-OG1 3.29Å; L854-T857 WeakPolarHBondContact CA-OG1 3.23Å; L854-T857 PolarHBondContact O-N 3.02Å; L854-T857 VanDerWaalsContact O-N 3.13Å; L854-T857 PolarHBondContact O-OG1 3.26Å; T857-K859 VanDerWaalsContact C-N 3.33Å; T857-K859 PolarHBondContact O-N 3.2Å; T857-E860 PolarHBondContact O-N 3.17Å; T857-V861 WeakPolarHBondContact O-CB 3.41Å; T857-V861 VanDerWaalsContact O-CG2 3.3Å; T857-V861 WeakPolarHBondContact O-CG2 3.36Å; T857-V861 PolarHBondContact O-N 3.25Å |
| 858 | I | 90.7 | Very high | 88.7 | Confident | 12.5 Ų | 12.5 | 36.1 Ų | 36.1 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 171.2 | -73.5 | 165.3 | 0 | 0 | 0 | 110.5 | L834 L854 M855 H856 E860 V861 A862 L916 L919 L923 | L834-I858 HydrophobicContact CD1-CG1 3.96Å; L854-I858 HydrophobicContact CD1-CD1 4.41Å; L854-I858 HydrophobicContact CD1-CG1 4.45Å; L854-I858 HydrophobicContact CG-CD1 4.16Å; L854-I858 WeakPolarHBondContact O-CB 3.45Å; L854-I858 WeakPolarHBondContact O-CD1 3.36Å; L854-I858 VanDerWaalsContact O-CG1 3.26Å; L854-I858 WeakPolarHBondContact O-CG1 3.42Å; L854-I858 PolarHBondContact O-N 3.28Å; M855-I858 PolarHBondContact O-N 2.9Å; H856-I858 VanDerWaalsContact C-N 3.34Å; H856-I858 PolarHBondContact O-N 3.3Å; I858-E860 VanDerWaalsContact C-N 3.35Å; I858-E860 PolarHBondContact O-N 3.02Å; I858-V861 PolarHBondContact O-N 3.01Å; I858-A862 PolarHBondContact O-N 3.14Å; I858-L916 HydrophobicContact CG1-CD2 4.45Å; I858-L916 HydrophobicContact CG2-CB 4.36Å; I858-L916 HydrophobicContact CG2-CD2 4.12Å; I858-L919 HydrophobicContact CD1-CD2 3.52Å; I858-L919 VanDerWaalsContact CD1-CD2 3.42Å; I858-L919 HydrophobicContact CD1-CG 3.88Å; I858-L919 HydrophobicContact CG1-CD2 3.86Å; I858-L919 HydrophobicContact CG1-CG 4.48Å; I858-L923 HydrophobicContact CD1-CD1 4.02Å; I858-L923 HydrophobicContact CD1-CD2 4.44Å |
| 859 | K | 90.7 | Very high | 89.1 | Confident | 117.25 Ų | 117.25 | 35.7 Ų | 35.7 | 51% | 0.51 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.8 | -72.7 | 170.1 | -177.7 | 175.3 | 0 | 112.3 | M855 H856 T857 V861 A862 I863 | M855-K859 HydrophobicContact CG-CD 4.38Å; M855-K859 WeakPolarHBondContact O-CD 3.39Å; M855-K859 VanDerWaalsContact O-CG 3.29Å; M855-K859 WeakPolarHBondContact O-CG 3.35Å; M855-K859 PolarHBondContact O-N 3.08Å; M855-K859 VanDerWaalsContact O-N 3.12Å; H856-K859 WeakPolarHBondContact O-CB 3.46Å; H856-K859 PolarHBondContact O-N 3.12Å; H856-K859 VanDerWaalsContact O-N 3.17Å; T857-K859 VanDerWaalsContact C-N 3.33Å; T857-K859 PolarHBondContact O-N 3.2Å; K859-V861 VanDerWaalsContact C-N 3.32Å; K859-V861 PolarHBondContact O-N 3Å; K859-A862 WeakPolarHBondContact O-CB 3.37Å; K859-A862 PolarHBondContact O-N 3Å; K859-I863 WeakPolarHBondContact O-CB 3.36Å; K859-I863 WeakPolarHBondContact O-CD1 3.18Å; K859-I863 VanDerWaalsContact O-CG1 3.27Å; K859-I863 WeakPolarHBondContact O-CG1 3.36Å; K859-I863 PolarHBondContact O-N 3Å |
| 860 | E | 88.3 | Confident | 89.4 | Confident | 42.75 Ų | 42.75 | 38.9 Ų | 38.9 | 20% | 0.2 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -34.7 | 175.3 | -74.3 | -82.3 | 143.8 | 0 | 0 | 112.4 | N597 R826 H856 T857 I858 A864 | N597-E860 PolarHBondContact ND2-OE1 3.05Å; N597-E860 PolarHBondContact ND2-OE2 3.43Å; N597-E860 VanDerWaalsContact ND2-OE2 3.12Å; R826-E860 IonicContact NH2-OE2 3.16Å; R826-E860 PolarHBondContact NH2-OE2 2.93Å; H856-E860 VanDerWaalsContact CE1-CD 3.44Å; H856-E860 IonicContact CE1-OE1 3.09Å; H856-E860 PolarHBondContact CE1-OE1 3.18Å; H856-E860 IonicContact ND1-OE1 3.22Å; H856-E860 WeakPolarHBondContact O-CG 3.48Å; H856-E860 PolarHBondContact O-N 3.32Å; T857-E860 PolarHBondContact O-N 3.17Å; I858-E860 VanDerWaalsContact C-N 3.35Å; I858-E860 PolarHBondContact O-N 3.02Å; E860-A864 VanDerWaalsContact O-CB 3.22Å; E860-A864 WeakPolarHBondContact O-CB 3.28Å; E860-A864 PolarHBondContact O-N 3.13Å |
| 861 | V | 91.4 | Very high | 89.4 | Confident | 0.5 Ų | 0.5 | 39.4 Ų | 39.4 | 0% | 0.003 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 173.2 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | V772 M776 T830 L834 T857 I858 K859 A864 A865 V912 L916 | V772-V861 HydrophobicContact CG1-CG1 4.26Å; M776-V861 HydrophobicContact CE-CG1 3.78Å; T830-V861 WeakPolarHBondContact O-CG2 3.37Å; L834-V861 HydrophobicContact CB-CG2 3.88Å; L834-V861 HydrophobicContact CD2-CB 4.49Å; L834-V861 HydrophobicContact CD2-CG1 4.48Å; L834-V861 HydrophobicContact CD2-CG2 4.09Å; L834-V861 HydrophobicContact CG-CG2 4.46Å; T857-V861 WeakPolarHBondContact O-CB 3.41Å; T857-V861 VanDerWaalsContact O-CG2 3.3Å; T857-V861 WeakPolarHBondContact O-CG2 3.36Å; T857-V861 PolarHBondContact O-N 3.25Å; I858-V861 PolarHBondContact O-N 3.01Å; K859-V861 VanDerWaalsContact C-N 3.32Å; K859-V861 PolarHBondContact O-N 3Å; V861-A864 PolarHBondContact O-N 3.18Å; V861-A865 WeakPolarHBondContact O-CB 3.28Å; V861-A865 PolarHBondContact O-N 3.11Å; V861-V912 HydrophobicContact CG1-CG1 4.45Å; V861-L916 HydrophobicContact CB-CD2 4.43Å; V861-L916 HydrophobicContact CG1-CD1 4.21Å; V861-L916 HydrophobicContact CG1-CD2 4.14Å |
| 862 | A | 92.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 38.2 Ų | 38.2 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I858 K859 A864 A865 D866 L916 | I858-A862 PolarHBondContact O-N 3.14Å; K859-A862 WeakPolarHBondContact O-CB 3.37Å; K859-A862 PolarHBondContact O-N 3Å; A862-A864 VanDerWaalsContact C-N 3.29Å; A862-A864 PolarHBondContact O-N 3.01Å; A862-A865 WeakPolarHBondContact O-CA 3.4Å; A862-A865 WeakPolarHBondContact O-CB 3.33Å; A862-A865 PolarHBondContact O-N 3.15Å; A862-A865 VanDerWaalsContact O-N 3.11Å; A862-D866 VanDerWaalsContact O-CG 3.32Å; A862-D866 PolarHBondContact O-N 3.13Å; A862-L916 HydrophobicContact CB-CD1 3.94Å |
| 863 | I | 91.4 | Very high | 89.2 | Confident | 90.5 Ų | 90.5 | 36.3 Ų | 36.3 | 46% | 0.464 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.6 | -38.4 | 177.8 | -65.5 | 164.4 | 0 | 0 | 0 | 111.3 | K859 D866 A867 | K859-I863 WeakPolarHBondContact O-CB 3.36Å; K859-I863 WeakPolarHBondContact O-CD1 3.18Å; K859-I863 VanDerWaalsContact O-CG1 3.27Å; K859-I863 WeakPolarHBondContact O-CG1 3.36Å; K859-I863 PolarHBondContact O-N 3Å; I863-D866 PolarHBondContact O-N 3.43Å; I863-A867 WeakPolarHBondContact O-CB 3.42Å; I863-A867 PolarHBondContact O-N 3.1Å; I863-A867 VanDerWaalsContact O-N 3.12Å |
| 864 | A | 90 | Very high | 88.9 | Confident | 0.5 Ų | 0.5 | 37.3 Ų | 37.3 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.7 | -35 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M776 R826 A827 T830 E860 V861 A862 V868 | M776-A864 HydrophobicContact CE-CB 4.38Å; R826-A864 HydrophobicContact CG-CB 4.23Å; A827-A864 HydrophobicContact CB-CB 4.4Å; T830-A864 HydrophobicContact CG2-CB 4.07Å; T830-A864 VanDerWaalsContact OG1-CB 3.27Å; T830-A864 WeakPolarHBondContact OG1-CB 3.41Å; E860-A864 VanDerWaalsContact O-CB 3.22Å; E860-A864 WeakPolarHBondContact O-CB 3.28Å; E860-A864 PolarHBondContact O-N 3.13Å; V861-A864 PolarHBondContact O-N 3.18Å; A862-A864 VanDerWaalsContact C-N 3.29Å; A862-A864 PolarHBondContact O-N 3.01Å; A864-V868 WeakPolarHBondContact O-CG2 3.37Å |
| 865 | A | 92.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -48.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | M776 L779 V861 A862 A867 V868 P869 V909 V912 | M776-A865 HydrophobicContact CE-CB 3.86Å; M776-A865 HydrophobicContact SD-CB 4.33Å; L779-A865 HydrophobicContact CD2-CB 4.06Å; V861-A865 WeakPolarHBondContact O-CB 3.28Å; V861-A865 PolarHBondContact O-N 3.11Å; A862-A865 WeakPolarHBondContact O-CA 3.4Å; A862-A865 WeakPolarHBondContact O-CB 3.33Å; A862-A865 PolarHBondContact O-N 3.15Å; A862-A865 VanDerWaalsContact O-N 3.11Å; A865-A867 PolarHBondContact O-N 3.09Å; A865-A867 VanDerWaalsContact O-N 3.14Å; A865-V868 WeakPolarHBondContact O-CB 3.36Å; A865-V868 WeakPolarHBondContact O-CG2 3.21Å; A865-V868 PolarHBondContact O-N 2.88Å; A865-P869 VanDerWaalsContact O-CD 3.3Å; A865-P869 WeakPolarHBondContact O-CD 3.36Å; A865-V909 HydrophobicContact CB-CG1 4.42Å; A865-V909 HydrophobicContact CB-CG2 4.4Å; A865-V909 VanDerWaalsContact O-CG2 3.29Å; A865-V909 WeakPolarHBondContact O-CG2 3.4Å; A865-V912 HydrophobicContact CB-CG1 4.13Å |
| 866 | D | 92.2 | Very high | 87.4 | Confident | 78 Ų | 78 | 37.3 Ų | 37.3 | 42% | 0.417 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.8 | -27.7 | 178.7 | -73.2 | -21 | 0 | 0 | 0 | 113.1 | A862 I863 V868 P869 L870 V909 H913 | A862-D866 VanDerWaalsContact O-CG 3.32Å; A862-D866 PolarHBondContact O-N 3.13Å; I863-D866 PolarHBondContact O-N 3.43Å; D866-V868 VanDerWaalsContact C-N 3.31Å; D866-V868 PolarHBondContact O-N 3.08Å; D866-P869 VanDerWaalsContact O-CD 3.31Å; D866-P869 WeakPolarHBondContact O-CD 3.36Å; D866-P869 WeakPolarHBondContact O-CG 3.43Å; D866-L870 WeakPolarHBondContact O-CG 3.32Å; D866-V909 VanDerWaalsContact OD1-CG1 3.29Å; D866-V909 WeakPolarHBondContact OD1-CG1 3.41Å; D866-H913 IonicContact OD1-CD2 3.67Å; D866-H913 IonicContact OD1-CE1 3.17Å; D866-H913 PolarHBondContact OD1-CE1 3.22Å; D866-H913 VanDerWaalsContact OD1-CE1 3.24Å; D866-H913 IonicContact OD1-NE2 2.91Å; D866-H913 PolarHBondContact OD1-NE2 3.45Å; D866-H913 IonicContact OD2-CE1 3.31Å; D866-H913 IonicContact OD2-NE2 3.51Å |
| 867 | A | 90.6 | Very high | 86.4 | Confident | 22.25 Ų | 22.25 | 37.6 Ų | 37.6 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S823 I863 A865 L870 P871 | S823-A867 VanDerWaalsContact CB-O 3.24Å; S823-A867 WeakPolarHBondContact CB-O 3.09Å; S823-A867 PolarHBondContact OG-O 3.01Å; I863-A867 WeakPolarHBondContact O-CB 3.42Å; I863-A867 PolarHBondContact O-N 3.1Å; I863-A867 VanDerWaalsContact O-N 3.12Å; A865-A867 PolarHBondContact O-N 3.09Å; A865-A867 VanDerWaalsContact O-N 3.14Å; A867-L870 HydrophobicContact CB-CD1 4.37Å; A867-L870 PolarHBondContact O-N 3.4Å; A867-P871 WeakPolarHBondContact O-CD 3.33Å |
| 868 | V | 91.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -69.7 | -45.8 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 113 | L779 A783 L820 A827 A864 A865 D866 L870 P871 L905 | L779-V868 HydrophobicContact CD1-CB 4.41Å; L779-V868 HydrophobicContact CD1-CG1 4.05Å; L779-V868 HydrophobicContact CD2-CB 4.28Å; L779-V868 HydrophobicContact CD2-CG2 4.09Å; L779-V868 HydrophobicContact CG-CB 4.35Å; L779-V868 HydrophobicContact CG-CG1 4.21Å; L779-V868 HydrophobicContact CG-CG2 4.39Å; A783-V868 HydrophobicContact CB-CG1 3.56Å; A783-V868 VanDerWaalsContact CB-CG1 3.5Å; L820-V868 HydrophobicContact CD1-CG1 4.18Å; L820-V868 VanDerWaalsContact CD1-O 3.24Å; L820-V868 WeakPolarHBondContact CD1-O 3.41Å; A827-V868 HydrophobicContact CB-CG2 3.78Å; A864-V868 WeakPolarHBondContact O-CG2 3.37Å; A865-V868 WeakPolarHBondContact O-CB 3.36Å; A865-V868 WeakPolarHBondContact O-CG2 3.21Å; A865-V868 PolarHBondContact O-N 2.88Å; D866-V868 VanDerWaalsContact C-N 3.31Å; D866-V868 PolarHBondContact O-N 3.08Å; V868-L870 VanDerWaalsContact C-N 3.33Å; V868-L870 PolarHBondContact O-N 3.11Å; V868-P871 VanDerWaalsContact O-CD 3.27Å; V868-P871 WeakPolarHBondContact O-CD 3.37Å; V868-L905 HydrophobicContact CG1-CD2 4.07Å |
| 869 | P | 90.2 | Very high | 82.5 | Confident | 4.75 Ų | 4.75 | 46.5 Ų | 46.5 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -73 | -19.7 | 177.7 | 4.1 | -2.1 | 0 | 0 | 0 | 114.4 | A865 D866 A872 K873 L905 E906 V909 | A865-P869 VanDerWaalsContact O-CD 3.3Å; A865-P869 WeakPolarHBondContact O-CD 3.36Å; D866-P869 VanDerWaalsContact O-CD 3.31Å; D866-P869 WeakPolarHBondContact O-CD 3.36Å; D866-P869 WeakPolarHBondContact O-CG 3.43Å; P869-A872 PolarHBondContact O-N 3.29Å; P869-A872 VanDerWaalsContact O-N 3.11Å; P869-K873 HydrophobicContact CB-CD 4.36Å; P869-K873 HydrophobicContact CB-CG 4.44Å; P869-K873 WeakPolarHBondContact O-CG 3.35Å; P869-K873 PolarHBondContact O-N 3.23Å; P869-L905 HydrophobicContact CB-CB 4.14Å; P869-L905 HydrophobicContact CG-CB 4.08Å; P869-E906 HydrophobicContact CG-CG 4.49Å; P869-V909 HydrophobicContact CG-CG2 3.94Å |
| 870 | L | 88.3 | Confident | 80.4 | Confident | 100.5 Ų | 100.5 | 44.7 Ų | 44.7 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.1 | -43.1 | -173.2 | -63.2 | 178.3 | 0 | 0 | 0 | 114.8 | D866 A867 V868 A872 K873 A874 | D866-L870 WeakPolarHBondContact O-CG 3.32Å; A867-L870 HydrophobicContact CB-CD1 4.37Å; A867-L870 PolarHBondContact O-N 3.4Å; V868-L870 VanDerWaalsContact C-N 3.33Å; V868-L870 PolarHBondContact O-N 3.11Å; L870-A872 VanDerWaalsContact C-N 3.27Å; L870-A872 PolarHBondContact O-N 3.2Å; L870-K873 PolarHBondContact O-N 3.22Å; L870-A874 WeakPolarHBondContact O-CB 3.43Å; L870-A874 PolarHBondContact O-N 3.08Å |
| 871 | P | 84.3 | Confident | 78 | Confident | 13.5 Ų | 13.5 | 48.8 Ų | 48.8 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.8 | -30.4 | 177.7 | -22.8 | 36.5 | 0 | 0 | 0 | 113.3 | N819 L820 A867 V868 | N819-P871 HydrophobicContact CB-CB 3.94Å; N819-P871 HydrophobicContact CB-CG 3.92Å; L820-P871 HydrophobicContact CB-CB 4.2Å; L820-P871 HydrophobicContact CB-CG 4.48Å; A867-P871 WeakPolarHBondContact O-CD 3.33Å; V868-P871 VanDerWaalsContact O-CD 3.27Å; V868-P871 WeakPolarHBondContact O-CD 3.37Å |
| 872 | A | 83.9 | Confident | 75.9 | Confident | 2.5 Ų | 2.5 | 51 Ų | 51 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -78.9 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P869 L870 A874 L875 L901 V902 L905 | P869-A872 PolarHBondContact O-N 3.29Å; P869-A872 VanDerWaalsContact O-N 3.11Å; L870-A872 VanDerWaalsContact C-N 3.27Å; L870-A872 PolarHBondContact O-N 3.2Å; A872-A874 VanDerWaalsContact C-N 3.3Å; A872-A874 PolarHBondContact O-N 2.88Å; A872-L875 WeakPolarHBondContact O-CB 3.38Å; A872-L875 PolarHBondContact O-N 3.11Å; A872-L875 VanDerWaalsContact O-N 3.15Å; A872-L901 HydrophobicContact CB-CD2 4.25Å; A872-L901 HydrophobicContact CB-CG 4.39Å; A872-V902 HydrophobicContact CB-CG2 3.62Å; A872-L905 HydrophobicContact CB-CD1 4.16Å |
| 873 | K | 84.2 | Confident | 73.7 | Confident | 66.5 Ų | 66.5 | 54.2 Ų | 54.2 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 172.5 | -71.8 | -179.1 | 176.7 | -173.8 | 0 | 112.6 | P869 L870 L875 L876 D877 V902 E906 | P869-K873 HydrophobicContact CB-CD 4.36Å; P869-K873 HydrophobicContact CB-CG 4.44Å; P869-K873 WeakPolarHBondContact O-CG 3.35Å; P869-K873 PolarHBondContact O-N 3.23Å; L870-K873 PolarHBondContact O-N 3.22Å; K873-L875 PolarHBondContact O-N 2.95Å; K873-L875 VanDerWaalsContact O-N 3.12Å; K873-L876 WeakPolarHBondContact O-CA 3.4Å; K873-L876 WeakPolarHBondContact O-CB 3.43Å; K873-L876 PolarHBondContact O-N 3.09Å; K873-D877 PolarHBondContact O-N 2.96Å; K873-D877 VanDerWaalsContact O-N 3.09Å; K873-V902 HydrophobicContact CD-CG1 4.5Å; K873-V902 HydrophobicContact CG-CG1 3.83Å; K873-V902 HydrophobicContact CG-CG2 4.19Å; K873-E906 WeakPolarHBondContact CE-OE1 3.39Å; K873-E906 IonicContact NZ-OE1 3.21Å; K873-E906 PolarHBondContact NZ-OE1 2.96Å |
| 874 | A | 80.3 | Confident | 71.5 | Confident | 57.5 Ų | 57.5 | 50.6 Ų | 50.6 | 48% | 0.475 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.3 | -17.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | L870 A872 | L870-A874 WeakPolarHBondContact O-CB 3.43Å; L870-A874 PolarHBondContact O-N 3.08Å; A872-A874 VanDerWaalsContact C-N 3.3Å; A872-A874 PolarHBondContact O-N 2.88Å |
| 875 | L | 74 | Confident | 69.5 | Low | 23 Ų | 23 | 51.8 Ų | 51.8 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -79.5 | -25.8 | 171.2 | -63.8 | 172 | 0 | 0 | 0 | 112.4 | L790 L813 A816 A872 K873 L888 | L790-L875 HydrophobicContact CD1-CD1 4.43Å; L790-L875 HydrophobicContact CD2-CD1 3.68Å; L813-L875 HydrophobicContact CD2-CD1 4.35Å; L813-L875 HydrophobicContact CD2-CD2 4.12Å; A816-L875 HydrophobicContact CB-CD1 3.91Å; A816-L875 HydrophobicContact CB-CD2 3.8Å; A816-L875 HydrophobicContact CB-CG 3.97Å; A872-L875 WeakPolarHBondContact O-CB 3.38Å; A872-L875 PolarHBondContact O-N 3.11Å; A872-L875 VanDerWaalsContact O-N 3.15Å; K873-L875 PolarHBondContact O-N 2.95Å; K873-L875 VanDerWaalsContact O-N 3.12Å; L875-L888 HydrophobicContact CD2-CD1 4.41Å |
| 876 | L | 72.5 | Confident | 67.4 | Low | 39.25 Ų | 39.25 | 56 Ų | 56 | 21% | 0.205 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -88.1 | -26.4 | 178.3 | -59.4 | 175.4 | 0 | 0 | 0 | 112.7 | K873 S878 F895 H898 V902 | K873-L876 WeakPolarHBondContact O-CA 3.4Å; K873-L876 WeakPolarHBondContact O-CB 3.43Å; K873-L876 PolarHBondContact O-N 3.09Å; L876-S878 PolarHBondContact O-N 3.09Å; L876-S878 VanDerWaalsContact O-N 3.12Å; L876-F895 HydrophobicContact CD2-CD2 3.88Å; L876-F895 HydrophobicContact CD2-CE2 3.62Å; L876-F895 VanDerWaalsContact CD2-CE2 3.49Å; L876-F895 HydrophobicContact CD2-CZ 4.23Å; L876-H898 HydrophobicContact CD2-CB 3.86Å; L876-H898 HydrophobicContact CG-CB 4.47Å; L876-V902 HydrophobicContact CD1-CB 4.2Å; L876-V902 HydrophobicContact CD1-CG1 4.49Å; L876-V902 HydrophobicContact CD1-CG2 3.71Å |
| 877 | D | 66.7 | Low | 65.3 | Low | 94.75 Ų | 94.75 | 58.1 Ų | 58.1 | 51% | 0.507 | 38% | 0.377 | S | S | . | . | trans | -73 | 93.4 | -176.1 | -79.6 | -27.3 | 0 | 0 | 0 | 112.9 | K873 S879 S880 | K873-D877 PolarHBondContact O-N 2.96Å; K873-D877 VanDerWaalsContact O-N 3.09Å; D877-S879 PolarHBondContact O-N 3.19Å; D877-S879 VanDerWaalsContact O-N 3.08Å; D877-S880 PolarHBondContact O-N 2.93Å; D877-S880 PolarHBondContact O-OG 3.46Å | ||
| 878 | S | 50.5 | Low | 63.5 | Low | 98 Ų | 98 | 57.7 Ų | 57.7 | 69% | 0.685 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -3.6 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 116 | L876 | L876-S878 PolarHBondContact O-N 3.09Å; L876-S878 VanDerWaalsContact O-N 3.12Å |
| 879 | S | 46.1 | Very low | 61.6 | Low | 107.25 Ų | 107.25 | 60.5 Ų | 60.5 | 75% | 0.75 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -6.4 | -174.3 | 71.6 | 0 | 0 | 0 | 0 | 114.3 | D877 S881 | D877-S879 PolarHBondContact O-N 3.19Å; D877-S879 VanDerWaalsContact O-N 3.08Å; S879-S881 VanDerWaalsContact C-N 3.33Å; S879-S881 PolarHBondContact O-N 3.27Å; S879-S881 VanDerWaalsContact O-N 3.1Å |
| 880 | S | 46.9 | Very low | 59.8 | Low | 79.25 Ų | 79.25 | 66.1 Ų | 66.1 | 55% | 0.554 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -94.4 | 76.1 | -179.6 | 66.8 | 0 | 0 | 0 | 0 | 112.9 | D877 G882 | D877-S880 PolarHBondContact O-N 2.93Å; D877-S880 PolarHBondContact O-OG 3.46Å; S880-G882 PolarHBondContact O-N 2.79Å; S880-G882 VanDerWaalsContact O-N 3.13Å |
| 881 | S | 37.3 | Very low | 58.5 | Low | 128.25 Ų | 128.25 | 65 Ų | 65 | 90% | 0.897 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 21.7 | 85.2 | 161 | -178.7 | 0 | 0 | 0 | 0 | 116.9 | S879 | S879-S881 VanDerWaalsContact C-N 3.33Å; S879-S881 PolarHBondContact O-N 3.27Å; S879-S881 VanDerWaalsContact O-N 3.1Å |
| 882 | G | 47.1 | Very low | 57.6 | Low | 46.5 Ų | 46.5 | 71.2 Ų | 71.2 | 48% | 0.479 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 170.7 | 148 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S880 A884 A885 | S880-G882 PolarHBondContact O-N 2.79Å; S880-G882 VanDerWaalsContact O-N 3.13Å; G882-A884 PolarHBondContact O-N 3.31Å; G882-A885 PolarHBondContact O-N 3.22Å; G882-A885 VanDerWaalsContact O-N 3.13Å |
| 883 | A | 47.2 | Very low | 56.9 | Low | 85.5 Ų | 85.5 | 78.6 Ų | 78.6 | 71% | 0.707 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.9 | -19.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A885 T886 | A883-A885 VanDerWaalsContact C-N 3.34Å; A883-A885 PolarHBondContact O-N 3.13Å; A883-T886 PolarHBondContact O-N 3.06Å; A883-T886 PolarHBondContact O-OG1 3.08Å |
| 884 | A | 46 | Very low | 56.1 | Low | 15.5 Ų | 15.5 | 76.6 Ų | 76.6 | 13% | 0.128 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.7 | -34.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I808 E809 G882 T886 F887 L888 | I808-A884 HydrophobicContact CG2-CB 4.24Å; E809-A884 HydrophobicContact CG-CB 3.95Å; G882-A884 PolarHBondContact O-N 3.31Å; A884-T886 VanDerWaalsContact C-N 3.31Å; A884-T886 PolarHBondContact O-N 3.3Å; A884-F887 PolarHBondContact O-N 3.38Å; A884-F887 VanDerWaalsContact O-N 3.14Å; A884-L888 PolarHBondContact O-N 3.03Å |
| 885 | A | 46.5 | Very low | 55.8 | Low | 25 Ų | 25 | 77.1 Ų | 77.1 | 21% | 0.207 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -71.6 | -30.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G882 A883 F887 T889 | G882-A885 PolarHBondContact O-N 3.22Å; G882-A885 VanDerWaalsContact O-N 3.13Å; A883-A885 VanDerWaalsContact C-N 3.34Å; A883-A885 PolarHBondContact O-N 3.13Å; A885-F887 VanDerWaalsContact C-N 3.27Å; A885-F887 PolarHBondContact O-N 3.33Å; A885-T889 WeakPolarHBondContact O-CG2 3.29Å; A885-T889 PolarHBondContact O-N 3.17Å; A885-T889 PolarHBondContact O-OG1 3Å |
| 886 | T | 48.9 | Very low | 56 | Low | 87.5 Ų | 87.5 | 80.3 Ų | 80.3 | 54% | 0.537 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.6 | -21.5 | 177.5 | -17.7 | 0 | 0 | 0 | 0 | 112.7 | A883 A884 T889 N890 | A883-T886 PolarHBondContact O-N 3.06Å; A883-T886 PolarHBondContact O-OG1 3.08Å; A884-T886 VanDerWaalsContact C-N 3.31Å; A884-T886 PolarHBondContact O-N 3.3Å; T886-T889 PolarHBondContact O-OG1 2.95Å; T886-T889 VanDerWaalsContact O-OG1 3.09Å; T886-N890 PolarHBondContact O-ND2 2.86Å; T886-N890 VanDerWaalsContact O-ND2 3.13Å; T886-N890 PolarHBondContact O-OD1 3.47Å |
| 887 | F | 48.4 | Very low | 56.4 | Low | 122.25 Ų | 122.25 | 81.3 Ų | 81.3 | 54% | 0.536 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -84.8 | -45.3 | 178.1 | -132.2 | -87 | 0 | 0 | 0 | 112.1 | Y797 E809 A884 A885 T889 N890 | Y797-F887 HydrophobicContact CE1-CE1 4.29Å; Y797-F887 VanDerWaalsContact OH-CD1 3.3Å; Y797-F887 WeakPolarHBondContact OH-CD1 3.21Å; Y797-F887 VanDerWaalsContact OH-CE1 3.27Å; Y797-F887 WeakPolarHBondContact OH-CE1 3.42Å; E809-F887 WeakPolarHBondContact OE1-CB 3.4Å; A884-F887 PolarHBondContact O-N 3.38Å; A884-F887 VanDerWaalsContact O-N 3.14Å; A885-F887 VanDerWaalsContact C-N 3.27Å; A885-F887 PolarHBondContact O-N 3.33Å; F887-T889 PolarHBondContact O-N 3.17Å; F887-N890 PolarHBondContact O-N 3.17Å; F887-N890 VanDerWaalsContact O-N 3.09Å |
| 888 | L | 52.4 | Low | 57 | Low | 15.25 Ų | 15.25 | 77 Ų | 77 | 8% | 0.08 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62 | -27.5 | 177.8 | -66.4 | 174.5 | 0 | 0 | 0 | 113.1 | L813 L875 A884 N890 M894 | L813-L888 HydrophobicContact CD1-CD2 4.42Å; L813-L888 HydrophobicContact CD2-CD1 4.27Å; L813-L888 HydrophobicContact CD2-CD2 4.49Å; L875-L888 HydrophobicContact CD2-CD1 4.41Å; A884-L888 PolarHBondContact O-N 3.03Å; L888-N890 VanDerWaalsContact C-N 3.34Å; L888-M894 HydrophobicContact CD2-CE 4.28Å; L888-M894 HydrophobicContact CD2-SD 3.63Å |
| 889 | T | 52.5 | Low | 58.6 | Low | 57 Ų | 57 | 73.9 Ų | 73.9 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -16.8 | 175.9 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | A885 T886 F887 F895 | A885-T889 WeakPolarHBondContact O-CG2 3.29Å; A885-T889 PolarHBondContact O-N 3.17Å; A885-T889 PolarHBondContact O-OG1 3Å; T886-T889 PolarHBondContact O-OG1 2.95Å; T886-T889 VanDerWaalsContact O-OG1 3.09Å; F887-T889 PolarHBondContact O-N 3.17Å; T889-F895 HydrophobicContact CG2-CD2 4.43Å; T889-F895 HydrophobicContact CG2-CE2 4.48Å |
| 890 | N | 51.2 | Low | 60.5 | Low | 122.75 Ų | 122.75 | 75.2 Ų | 75.2 | 66% | 0.656 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -24.8 | -178.4 | -73.7 | -20.4 | 0 | 0 | 0 | 113 | T886 F887 L888 H892 | T886-N890 PolarHBondContact O-ND2 2.86Å; T886-N890 VanDerWaalsContact O-ND2 3.13Å; T886-N890 PolarHBondContact O-OD1 3.47Å; F887-N890 PolarHBondContact O-N 3.17Å; F887-N890 VanDerWaalsContact O-N 3.09Å; L888-N890 VanDerWaalsContact C-N 3.34Å; N890-H892 PolarHBondContact O-N 3.33Å |
| 891 | D | 61.2 | Low | 62.4 | Low | 78.5 Ų | 78.5 | 72.3 Ų | 72.3 | 42% | 0.42 | 41% | 0.408 | S | S | . | . | trans | -88 | 101.3 | 176.1 | -142 | -20.5 | 0 | 0 | 0 | 110.4 | E893 M894 F895 | D891-E893 VanDerWaalsContact C-N 3.26Å; D891-E893 PolarHBondContact O-N 3.23Å; D891-E893 VanDerWaalsContact O-N 3.16Å; D891-E893 PolarHBondContact OD1-N 3.33Å; D891-E893 VanDerWaalsContact OD1-N 3.1Å; D891-M894 HydrophobicContact CB-CB 4.13Å; D891-M894 HydrophobicContact CB-CG 4.12Å; D891-M894 PolarHBondContact O-N 3.12Å; D891-M894 VanDerWaalsContact O-N 3.11Å; D891-F895 WeakPolarHBondContact O-CB 3.47Å; D891-F895 PolarHBondContact O-N 3.23Å; D891-F895 VanDerWaalsContact O-N 3.11Å | ||
| 892 | H | 64.9 | Low | 64.8 | Low | 142.75 Ų | 142.75 | 66.5 Ų | 66.5 | 66% | 0.661 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -26.8 | -171.9 | -154.9 | 44.9 | 0 | 0 | 0 | 112.8 | N890 N896 | N890-H892 PolarHBondContact O-N 3.33Å; H892-N896 PolarHBondContact CD2-ND2 3.07Å; H892-N896 PolarHBondContact NE2-ND2 3.04Å; H892-N896 WeakPolarHBondContact O-CB 3.42Å; H892-N896 PolarHBondContact O-N 3.03Å; H892-N896 PolarHBondContact O-ND2 3.15Å |
| 893 | E | 69.9 | Low | 66.9 | Low | 158.75 Ų | 158.75 | 69 Ų | 69 | 74% | 0.742 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -73.7 | -45.9 | 176.5 | -64.6 | -167.5 | 167.9 | 0 | 0 | 111.4 | D891 F895 N896 V897 | D891-E893 VanDerWaalsContact C-N 3.26Å; D891-E893 PolarHBondContact O-N 3.23Å; D891-E893 VanDerWaalsContact O-N 3.16Å; D891-E893 PolarHBondContact OD1-N 3.33Å; D891-E893 VanDerWaalsContact OD1-N 3.1Å; E893-F895 PolarHBondContact O-N 2.93Å; E893-N896 WeakPolarHBondContact O-CB 3.34Å; E893-N896 PolarHBondContact O-N 2.8Å; E893-V897 WeakPolarHBondContact O-CG2 3.26Å; E893-V897 PolarHBondContact O-N 3.09Å; E893-V897 VanDerWaalsContact O-N 3.08Å |
| 894 | M | 68.2 | Low | 69 | Low | 23.25 Ų | 23.25 | 68.1 Ų | 68.1 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 177.5 | -75.4 | -105.2 | 60.9 | 0 | 0 | 112.4 | E793 Y797 L888 D891 N896 V897 H898 | E793-M894 HydrophobicContact CB-CE 3.77Å; E793-M894 VanDerWaalsContact CD-CE 3.41Å; E793-M894 HydrophobicContact CG-CE 3.73Å; E793-M894 HydrophobicContact CG-SD 3.89Å; E793-M894 VanDerWaalsContact OE1-CE 3.31Å; E793-M894 WeakPolarHBondContact OE1-CE 3.39Å; E793-M894 VanDerWaalsContact OE2-CE 3.25Å; E793-M894 WeakPolarHBondContact OE2-CE 3.36Å; Y797-M894 HydrophobicContact CE2-CG 4.46Å; Y797-M894 HydrophobicContact CE2-SD 3.73Å; Y797-M894 WeakPolarHBondContact CE2-SD 3.3Å; Y797-M894 PolarHBondContact OH-SD 2.85Å; L888-M894 HydrophobicContact CD2-CE 4.28Å; L888-M894 HydrophobicContact CD2-SD 3.63Å; D891-M894 HydrophobicContact CB-CB 4.13Å; D891-M894 HydrophobicContact CB-CG 4.12Å; D891-M894 PolarHBondContact O-N 3.12Å; D891-M894 VanDerWaalsContact O-N 3.11Å; M894-N896 VanDerWaalsContact C-N 3.27Å; M894-N896 PolarHBondContact O-N 3.02Å; M894-V897 HydrophobicContact CE-CB 4.19Å; M894-V897 HydrophobicContact CE-CG1 4.4Å; M894-V897 HydrophobicContact CE-CG2 4.28Å; M894-V897 PolarHBondContact O-N 3.14Å; M894-V897 VanDerWaalsContact O-N 3.13Å; M894-H898 WeakPolarHBondContact CE-CE1 3.33Å; M894-H898 WeakPolarHBondContact CE-NE2 3.43Å; M894-H898 PolarHBondContact O-N 2.9Å |
| 895 | F | 73.5 | Confident | 71.1 | Confident | 69.25 Ų | 69.25 | 67.4 Ų | 67.4 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 177.2 | -175.1 | -95.5 | 0 | 0 | 0 | 111.8 | L876 T889 D891 E893 V897 H898 C899 | L876-F895 HydrophobicContact CD2-CD2 3.88Å; L876-F895 HydrophobicContact CD2-CE2 3.62Å; L876-F895 VanDerWaalsContact CD2-CE2 3.49Å; L876-F895 HydrophobicContact CD2-CZ 4.23Å; T889-F895 HydrophobicContact CG2-CD2 4.43Å; T889-F895 HydrophobicContact CG2-CE2 4.48Å; D891-F895 WeakPolarHBondContact O-CB 3.47Å; D891-F895 PolarHBondContact O-N 3.23Å; D891-F895 VanDerWaalsContact O-N 3.11Å; E893-F895 PolarHBondContact O-N 2.93Å; F895-V897 PolarHBondContact O-N 3.1Å; F895-H898 PolarHBondContact O-N 3.09Å; F895-C899 WeakPolarHBondContact CE1-SG 3.37Å; F895-C899 VanDerWaalsContact O-CB 3.31Å; F895-C899 WeakPolarHBondContact O-CB 3.35Å; F895-C899 PolarHBondContact O-N 2.96Å; F895-C899 PolarHBondContact O-SG 2.92Å |
| 896 | N | 78.4 | Confident | 73.3 | Confident | 88.75 Ų | 88.75 | 69.6 Ų | 69.6 | 48% | 0.475 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 176.8 | -97.9 | -30.3 | 0 | 0 | 0 | 112.6 | H892 E893 M894 C899 K900 | H892-N896 PolarHBondContact CD2-ND2 3.07Å; H892-N896 PolarHBondContact NE2-ND2 3.04Å; H892-N896 WeakPolarHBondContact O-CB 3.42Å; H892-N896 PolarHBondContact O-N 3.03Å; H892-N896 PolarHBondContact O-ND2 3.15Å; E893-N896 WeakPolarHBondContact O-CB 3.34Å; E893-N896 PolarHBondContact O-N 2.8Å; M894-N896 VanDerWaalsContact C-N 3.27Å; M894-N896 PolarHBondContact O-N 3.02Å; N896-C899 PolarHBondContact O-N 2.83Å; N896-K900 WeakPolarHBondContact O-CB 3.41Å; N896-K900 WeakPolarHBondContact O-CG 3.48Å; N896-K900 PolarHBondContact O-N 3.08Å; N896-K900 VanDerWaalsContact O-N 3.14Å |
| 897 | V | 80.3 | Confident | 75.3 | Confident | 60.5 Ų | 60.5 | 71.3 Ų | 71.3 | 37% | 0.367 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | V789 E793 E893 M894 F895 C899 K900 L901 | V789-V897 HydrophobicContact CG1-CG1 3.74Å; E793-V897 WeakPolarHBondContact OE1-CG1 3.32Å; E893-V897 WeakPolarHBondContact O-CG2 3.26Å; E893-V897 PolarHBondContact O-N 3.09Å; E893-V897 VanDerWaalsContact O-N 3.08Å; M894-V897 HydrophobicContact CE-CB 4.19Å; M894-V897 HydrophobicContact CE-CG1 4.4Å; M894-V897 HydrophobicContact CE-CG2 4.28Å; M894-V897 PolarHBondContact O-N 3.14Å; M894-V897 VanDerWaalsContact O-N 3.13Å; F895-V897 PolarHBondContact O-N 3.1Å; V897-C899 PolarHBondContact O-N 3.44Å; V897-K900 PolarHBondContact O-N 3.01Å; V897-L901 PolarHBondContact O-N 3.22Å |
| 898 | H | 79.7 | Confident | 77.4 | Confident | 5.75 Ų | 5.75 | 65.7 Ų | 65.7 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 177.3 | -66.9 | 166 | 0 | 0 | 0 | 112.6 | E793 L876 M894 F895 K900 L901 V902 | E793-H898 VanDerWaalsContact CD-NE2 3.27Å; E793-H898 IonicContact OE1-CD2 2.87Å; E793-H898 PolarHBondContact OE1-CD2 3.27Å; E793-H898 IonicContact OE1-NE2 3.02Å; E793-H898 PolarHBondContact OE1-NE2 3.22Å; E793-H898 VanDerWaalsContact OE1-NE2 3.08Å; E793-H898 IonicContact OE2-CD2 3.45Å; E793-H898 IonicContact OE2-CE1 3.03Å; E793-H898 IonicContact OE2-NE2 3.31Å; E793-H898 PolarHBondContact OE2-NE2 2.95Å; L876-H898 HydrophobicContact CD2-CB 3.86Å; L876-H898 HydrophobicContact CG-CB 4.47Å; M894-H898 WeakPolarHBondContact CE-CE1 3.33Å; M894-H898 WeakPolarHBondContact CE-NE2 3.43Å; M894-H898 PolarHBondContact O-N 2.9Å; F895-H898 PolarHBondContact O-N 3.09Å; H898-K900 PolarHBondContact O-N 3.05Å; H898-L901 PolarHBondContact O-N 3.11Å; H898-V902 WeakPolarHBondContact O-CG2 3.47Å; H898-V902 PolarHBondContact O-N 3.38Å |
| 899 | C | 84.2 | Confident | 79.3 | Confident | 31.5 Ų | 31.5 | 65.6 Ų | 65.6 | 21% | 0.213 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | 172.9 | -74.3 | 0 | 0 | 0 | 0 | 112.2 | F895 N896 V897 L901 V902 N903 | F895-C899 WeakPolarHBondContact CE1-SG 3.37Å; F895-C899 VanDerWaalsContact O-CB 3.31Å; F895-C899 WeakPolarHBondContact O-CB 3.35Å; F895-C899 PolarHBondContact O-N 2.96Å; F895-C899 PolarHBondContact O-SG 2.92Å; N896-C899 PolarHBondContact O-N 2.83Å; V897-C899 PolarHBondContact O-N 3.44Å; C899-L901 VanDerWaalsContact C-N 3.34Å; C899-L901 PolarHBondContact O-N 3.13Å; C899-V902 PolarHBondContact O-N 3.29Å; C899-N903 WeakPolarHBondContact O-CB 3.2Å; C899-N903 VanDerWaalsContact O-CG 3.25Å; C899-N903 PolarHBondContact O-N 2.89Å; C899-N903 PolarHBondContact O-ND2 3.03Å; C899-N903 PolarHBondContact O-OD1 3.21Å |
| 900 | K | 85.9 | Confident | 81.3 | Confident | 135.5 Ų | 135.5 | 70.8 Ų | 70.8 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 176.5 | -154.4 | 179.9 | 177.5 | -176.5 | 0 | 111.5 | N896 V897 H898 V902 N903 D904 | N896-K900 WeakPolarHBondContact O-CB 3.41Å; N896-K900 WeakPolarHBondContact O-CG 3.48Å; N896-K900 PolarHBondContact O-N 3.08Å; N896-K900 VanDerWaalsContact O-N 3.14Å; V897-K900 PolarHBondContact O-N 3.01Å; H898-K900 PolarHBondContact O-N 3.05Å; K900-V902 VanDerWaalsContact C-N 3.33Å; K900-V902 PolarHBondContact O-N 3.16Å; K900-N903 PolarHBondContact O-N 3.33Å; K900-D904 WeakPolarHBondContact O-CB 3.41Å; K900-D904 VanDerWaalsContact O-CG 3.27Å; K900-D904 PolarHBondContact O-N 3.12Å |
| 901 | L | 86.3 | Confident | 83.3 | Confident | 17.25 Ų | 17.25 | 67.7 Ų | 67.7 | 9% | 0.09 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 176.1 | 174.7 | 59.1 | 0 | 0 | 0 | 111.9 | G786 L790 L820 A872 V897 H898 C899 D904 L905 | G786-L901 VanDerWaalsContact CA-CD1 3.44Å; L790-L901 HydrophobicContact CD1-CD2 4.44Å; L790-L901 HydrophobicContact CG-CD2 4.49Å; L820-L901 HydrophobicContact CD2-CD2 4.42Å; A872-L901 HydrophobicContact CB-CD2 4.25Å; A872-L901 HydrophobicContact CB-CG 4.39Å; V897-L901 PolarHBondContact O-N 3.22Å; H898-L901 PolarHBondContact O-N 3.11Å; C899-L901 VanDerWaalsContact C-N 3.34Å; C899-L901 PolarHBondContact O-N 3.13Å; L901-D904 PolarHBondContact O-N 3.22Å; L901-L905 HydrophobicContact CD1-CD1 3.97Å; L901-L905 HydrophobicContact CD1-CG 4.05Å; L901-L905 HydrophobicContact CG-CD1 4.12Å; L901-L905 WeakPolarHBondContact O-CB 3.41Å; L901-L905 VanDerWaalsContact O-CG 3.23Å; L901-L905 WeakPolarHBondContact O-CG 3.35Å; L901-L905 PolarHBondContact O-N 3.32Å |
| 902 | V | 88.7 | Confident | 84.8 | Confident | 8.5 Ų | 8.5 | 64 Ų | 64 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -45.9 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | A872 K873 L876 H898 C899 K900 D904 L905 E906 | A872-V902 HydrophobicContact CB-CG2 3.62Å; K873-V902 HydrophobicContact CD-CG1 4.5Å; K873-V902 HydrophobicContact CG-CG1 3.83Å; K873-V902 HydrophobicContact CG-CG2 4.19Å; L876-V902 HydrophobicContact CD1-CB 4.2Å; L876-V902 HydrophobicContact CD1-CG1 4.49Å; L876-V902 HydrophobicContact CD1-CG2 3.71Å; H898-V902 WeakPolarHBondContact O-CG2 3.47Å; H898-V902 PolarHBondContact O-N 3.38Å; C899-V902 PolarHBondContact O-N 3.29Å; K900-V902 VanDerWaalsContact C-N 3.33Å; K900-V902 PolarHBondContact O-N 3.16Å; V902-D904 PolarHBondContact O-N 3.38Å; V902-L905 PolarHBondContact O-N 3.14Å; V902-E906 HydrophobicContact CG1-CG 4.29Å; V902-E906 WeakPolarHBondContact O-CB 3.12Å; V902-E906 WeakPolarHBondContact O-CG 3.3Å; V902-E906 PolarHBondContact O-N 3.06Å |
| 903 | N | 90.1 | Very high | 86.1 | Confident | 97.25 Ų | 97.25 | 59.5 Ų | 59.5 | 52% | 0.52 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 177.6 | -67.6 | -17.9 | 0 | 0 | 0 | 112.1 | C899 K900 L905 E906 E907 | C899-N903 WeakPolarHBondContact O-CB 3.2Å; C899-N903 VanDerWaalsContact O-CG 3.25Å; C899-N903 PolarHBondContact O-N 2.89Å; C899-N903 PolarHBondContact O-ND2 3.03Å; C899-N903 PolarHBondContact O-OD1 3.21Å; K900-N903 PolarHBondContact O-N 3.33Å; N903-L905 VanDerWaalsContact C-N 3.29Å; N903-L905 PolarHBondContact O-N 3.27Å; N903-E906 PolarHBondContact O-N 3.22Å; N903-E907 WeakPolarHBondContact O-CB 3.33Å; N903-E907 PolarHBondContact O-N 3.3Å |
| 904 | D | 90.5 | Very high | 87.3 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 178.3 | -72.8 | -14.2 | 0 | 0 | 0 | 111.4 | K782 K900 L901 V902 G908 | K782-D904 HydrophobicContact CD-CB 4.47Å; K782-D904 VanDerWaalsContact CD-O 3.26Å; K782-D904 WeakPolarHBondContact CD-O 3.4Å; K782-D904 WeakPolarHBondContact CE-O 3.41Å; K782-D904 PolarHBondContact NZ-O 3.22Å; K900-D904 WeakPolarHBondContact O-CB 3.41Å; K900-D904 VanDerWaalsContact O-CG 3.27Å; K900-D904 PolarHBondContact O-N 3.12Å; L901-D904 PolarHBondContact O-N 3.22Å; V902-D904 PolarHBondContact O-N 3.38Å; D904-G908 PolarHBondContact O-N 2.98Å; D904-G908 VanDerWaalsContact O-N 3.15Å |
| 905 | L | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.8 | -42.4 | 175.9 | -68.7 | 176.6 | 0 | 0 | 0 | 112.1 | L779 K782 A783 L820 V868 P869 A872 L901 V902 N903 G908 V909 | L779-L905 HydrophobicContact CD1-CB 4.43Å; L779-L905 HydrophobicContact CD1-CD2 3.93Å; L779-L905 WeakPolarHBondContact CD1-O 3.37Å; K782-L905 HydrophobicContact CB-CD2 4.07Å; A783-L905 HydrophobicContact CB-CD2 3.84Å; L820-L905 HydrophobicContact CD1-CD1 4.06Å; V868-L905 HydrophobicContact CG1-CD2 4.07Å; P869-L905 HydrophobicContact CB-CB 4.14Å; P869-L905 HydrophobicContact CG-CB 4.08Å; A872-L905 HydrophobicContact CB-CD1 4.16Å; L901-L905 HydrophobicContact CD1-CD1 3.97Å; L901-L905 HydrophobicContact CD1-CG 4.05Å; L901-L905 HydrophobicContact CG-CD1 4.12Å; L901-L905 WeakPolarHBondContact O-CB 3.41Å; L901-L905 VanDerWaalsContact O-CG 3.23Å; L901-L905 WeakPolarHBondContact O-CG 3.35Å; L901-L905 PolarHBondContact O-N 3.32Å; V902-L905 PolarHBondContact O-N 3.14Å; N903-L905 VanDerWaalsContact C-N 3.29Å; N903-L905 PolarHBondContact O-N 3.27Å; L905-G908 CarbonylContact O-C 3.27Å; L905-G908 WeakPolarHBondContact O-CA 3.32Å; L905-G908 PolarHBondContact O-N 3.2Å; L905-G908 VanDerWaalsContact O-N 3.14Å; L905-V909 WeakPolarHBondContact O-CG2 3.35Å; L905-V909 PolarHBondContact O-N 3.23Å |
| 906 | E | 91.6 | Very high | 89.4 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.4 | -74.7 | -172.8 | 152.7 | 0 | 0 | 112.1 | P869 K873 V902 N903 G908 V909 Y910 | P869-E906 HydrophobicContact CG-CG 4.49Å; K873-E906 WeakPolarHBondContact CE-OE1 3.39Å; K873-E906 IonicContact NZ-OE1 3.21Å; K873-E906 PolarHBondContact NZ-OE1 2.96Å; V902-E906 HydrophobicContact CG1-CG 4.29Å; V902-E906 WeakPolarHBondContact O-CB 3.12Å; V902-E906 WeakPolarHBondContact O-CG 3.3Å; V902-E906 PolarHBondContact O-N 3.06Å; N903-E906 PolarHBondContact O-N 3.22Å; E906-G908 VanDerWaalsContact C-N 3.27Å; E906-G908 PolarHBondContact O-N 3.22Å; E906-V909 CarbonylContact O-C 3.59Å; E906-V909 WeakPolarHBondContact O-CA 3.28Å; E906-V909 WeakPolarHBondContact O-CB 3.37Å; E906-V909 PolarHBondContact O-N 2.91Å; E906-V909 VanDerWaalsContact O-N 3.11Å; E906-Y910 HydrophobicContact CB-CD2 4.49Å; E906-Y910 HydrophobicContact CB-CE2 4.19Å; E906-Y910 WeakPolarHBondContact O-CB 3.36Å; E906-Y910 WeakPolarHBondContact O-CD2 3.21Å; E906-Y910 PolarHBondContact O-N 3.23Å |
| 907 | E | 92.1 | Very high | 90 | Very high | 121.75 Ų | 121.75 | 53.3 Ų | 53.3 | 57% | 0.569 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.3 | -40.6 | 172 | -173.7 | -162.8 | -146.9 | 0 | 0 | 111.1 | K782 N903 V909 Y910 S911 | K782-E907 IonicContact NZ-OE2 3.31Å; K782-E907 PolarHBondContact NZ-OE2 3.01Å; N903-E907 WeakPolarHBondContact O-CB 3.33Å; N903-E907 PolarHBondContact O-N 3.3Å; E907-V909 VanDerWaalsContact C-N 3.35Å; E907-V909 PolarHBondContact O-N 2.85Å; E907-Y910 PolarHBondContact O-N 3.25Å; E907-S911 WeakPolarHBondContact O-CB 3.4Å; E907-S911 PolarHBondContact O-N 3.13Å |
| 908 | G | 91.5 | Very high | 90.5 | Very high | 5.5 Ų | 5.5 | 53.4 Ų | 53.4 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D904 L905 E906 S911 V912 | D904-G908 PolarHBondContact O-N 2.98Å; D904-G908 VanDerWaalsContact O-N 3.15Å; L905-G908 CarbonylContact O-C 3.27Å; L905-G908 WeakPolarHBondContact O-CA 3.32Å; L905-G908 PolarHBondContact O-N 3.2Å; L905-G908 VanDerWaalsContact O-N 3.14Å; E906-G908 VanDerWaalsContact C-N 3.27Å; E906-G908 PolarHBondContact O-N 3.22Å; G908-S911 PolarHBondContact O-N 3.38Å; G908-V912 WeakPolarHBondContact O-CG2 3.37Å; G908-V912 PolarHBondContact O-N 3.32Å; G908-V912 VanDerWaalsContact O-N 3.14Å |
| 909 | V | 93.3 | Very high | 90.9 | Very high | 12.25 Ų | 12.25 | 53.2 Ų | 53.2 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L779 A865 D866 P869 L905 E906 E907 S911 V912 H913 | L779-V909 HydrophobicContact CD1-CG2 4.11Å; L779-V909 HydrophobicContact CD2-CG2 3.73Å; A865-V909 HydrophobicContact CB-CG1 4.42Å; A865-V909 HydrophobicContact CB-CG2 4.4Å; A865-V909 VanDerWaalsContact O-CG2 3.29Å; A865-V909 WeakPolarHBondContact O-CG2 3.4Å; D866-V909 VanDerWaalsContact OD1-CG1 3.29Å; D866-V909 WeakPolarHBondContact OD1-CG1 3.41Å; P869-V909 HydrophobicContact CG-CG2 3.94Å; L905-V909 WeakPolarHBondContact O-CG2 3.35Å; L905-V909 PolarHBondContact O-N 3.23Å; E906-V909 CarbonylContact O-C 3.59Å; E906-V909 WeakPolarHBondContact O-CA 3.28Å; E906-V909 WeakPolarHBondContact O-CB 3.37Å; E906-V909 PolarHBondContact O-N 2.91Å; E906-V909 VanDerWaalsContact O-N 3.11Å; E907-V909 VanDerWaalsContact C-N 3.35Å; E907-V909 PolarHBondContact O-N 2.85Å; V909-S911 VanDerWaalsContact C-N 3.34Å; V909-S911 PolarHBondContact O-N 3.05Å; V909-V912 WeakPolarHBondContact O-CB 3.49Å; V909-V912 PolarHBondContact O-N 3.15Å; V909-V912 VanDerWaalsContact O-N 3.09Å; V909-H913 VanDerWaalsContact CG1-CE1 3.41Å; V909-H913 WeakPolarHBondContact CG1-CE1 3.47Å; V909-H913 WeakPolarHBondContact CG1-ND1 3.4Å; V909-H913 PolarHBondContact O-CD2 2.91Å; V909-H913 PolarHBondContact O-N 3.14Å; V909-H913 PolarHBondContact O-ND1 3.16Å |
| 910 | Y | 93.6 | Very high | 91.1 | Very high | 166.5 Ų | 166.5 | 54.1 Ų | 54.1 | 65% | 0.653 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.2 | -43.2 | 175.5 | -159.4 | -92.4 | 0 | 0 | 0 | 111.9 | E906 E907 V912 H913 N914 | E906-Y910 HydrophobicContact CB-CD2 4.49Å; E906-Y910 HydrophobicContact CB-CE2 4.19Å; E906-Y910 WeakPolarHBondContact O-CB 3.36Å; E906-Y910 WeakPolarHBondContact O-CD2 3.21Å; E906-Y910 PolarHBondContact O-N 3.23Å; E907-Y910 PolarHBondContact O-N 3.25Å; Y910-V912 VanDerWaalsContact C-N 3.28Å; Y910-V912 PolarHBondContact O-N 3.35Å; Y910-H913 PolarHBondContact O-N 3Å; Y910-N914 PolarHBondContact O-N 3.36Å |
| 911 | S | 92.8 | Very high | 91.1 | Very high | 58.75 Ų | 58.75 | 52.8 Ų | 52.8 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -34.4 | 175 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | E907 G908 V909 E915 | E907-S911 WeakPolarHBondContact O-CB 3.4Å; E907-S911 PolarHBondContact O-N 3.13Å; G908-S911 PolarHBondContact O-N 3.38Å; V909-S911 VanDerWaalsContact C-N 3.34Å; V909-S911 PolarHBondContact O-N 3.05Å; S911-E915 WeakPolarHBondContact O-CG 3.3Å; S911-E915 PolarHBondContact O-N 3.09Å |
| 912 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.4 | -44.9 | 174.8 | 171 | 0 | 0 | 0 | 0 | 110.7 | A775 M776 L779 V861 A865 G908 V909 Y910 N914 E915 L916 | A775-V912 HydrophobicContact CB-CG2 3.98Å; M776-V912 HydrophobicContact CB-CG2 4.27Å; M776-V912 HydrophobicContact CE-CG1 4.22Å; M776-V912 HydrophobicContact SD-CG2 4.34Å; L779-V912 HydrophobicContact CD2-CG2 4.41Å; V861-V912 HydrophobicContact CG1-CG1 4.45Å; A865-V912 HydrophobicContact CB-CG1 4.13Å; G908-V912 WeakPolarHBondContact O-CG2 3.37Å; G908-V912 PolarHBondContact O-N 3.32Å; G908-V912 VanDerWaalsContact O-N 3.14Å; V909-V912 WeakPolarHBondContact O-CB 3.49Å; V909-V912 PolarHBondContact O-N 3.15Å; V909-V912 VanDerWaalsContact O-N 3.09Å; Y910-V912 VanDerWaalsContact C-N 3.28Å; Y910-V912 PolarHBondContact O-N 3.35Å; V912-N914 PolarHBondContact O-N 3.08Å; V912-E915 PolarHBondContact O-N 3.22Å; V912-L916 HydrophobicContact CG1-CD1 3.89Å; V912-L916 HydrophobicContact CG1-CG 4.23Å; V912-L916 WeakPolarHBondContact O-CG 3.36Å; V912-L916 PolarHBondContact O-N 2.99Å |
| 913 | H | 93.3 | Very high | 90.6 | Very high | 49.5 Ų | 49.5 | 52.6 Ų | 52.6 | 23% | 0.229 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 179.3 | -79.1 | 75.2 | 0 | 0 | 0 | 112.7 | D866 V909 Y910 E915 L916 D917 | D866-H913 IonicContact OD1-CD2 3.67Å; D866-H913 IonicContact OD1-CE1 3.17Å; D866-H913 PolarHBondContact OD1-CE1 3.22Å; D866-H913 VanDerWaalsContact OD1-CE1 3.24Å; D866-H913 IonicContact OD1-NE2 2.91Å; D866-H913 PolarHBondContact OD1-NE2 3.45Å; D866-H913 IonicContact OD2-CE1 3.31Å; D866-H913 IonicContact OD2-NE2 3.51Å; V909-H913 VanDerWaalsContact CG1-CE1 3.41Å; V909-H913 WeakPolarHBondContact CG1-CE1 3.47Å; V909-H913 WeakPolarHBondContact CG1-ND1 3.4Å; V909-H913 PolarHBondContact O-CD2 2.91Å; V909-H913 PolarHBondContact O-N 3.14Å; V909-H913 PolarHBondContact O-ND1 3.16Å; Y910-H913 PolarHBondContact O-N 3Å; H913-E915 VanDerWaalsContact C-N 3.3Å; H913-E915 PolarHBondContact O-N 3.02Å; H913-L916 CarbonylContact O-C 3.59Å; H913-L916 WeakPolarHBondContact O-CA 3.31Å; H913-L916 WeakPolarHBondContact O-CB 3.32Å; H913-L916 PolarHBondContact O-N 3.29Å; H913-L916 VanDerWaalsContact O-N 3.09Å; H913-D917 VanDerWaalsContact O-CG 3.29Å; H913-D917 PolarHBondContact O-N 3.2Å |
| 914 | N | 93.3 | Very high | 90 | Very high | 78.75 Ų | 78.75 | 51.8 Ų | 51.8 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58 | -37.7 | 177.5 | -174.4 | 77.3 | 0 | 0 | 0 | 112.6 | Y910 V912 N918 | Y910-N914 PolarHBondContact O-N 3.36Å; V912-N914 PolarHBondContact O-N 3.08Å; N914-N918 VanDerWaalsContact O-CG 3.27Å; N914-N918 PolarHBondContact O-N 3.04Å; N914-N918 VanDerWaalsContact O-N 3.16Å; N914-N918 PolarHBondContact O-ND2 3.22Å |
| 915 | E | 93.3 | Very high | 89.2 | Confident | 38.25 Ų | 38.25 | 50.7 Ų | 50.7 | 18% | 0.179 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.1 | -31.5 | 175.8 | -84.6 | -44.9 | 169.2 | 0 | 0 | 113 | S771 V772 A775 S911 V912 H913 D917 N918 L919 | S771-E915 WeakPolarHBondContact CB-OE1 3.3Å; S771-E915 VanDerWaalsContact CB-OE2 3.29Å; S771-E915 WeakPolarHBondContact CB-OE2 3.32Å; S771-E915 VanDerWaalsContact OG-CD 3.27Å; S771-E915 PolarHBondContact OG-OE1 2.77Å; V772-E915 HydrophobicContact CB-CB 4.47Å; V772-E915 HydrophobicContact CG2-CB 3.65Å; V772-E915 WeakPolarHBondContact CG2-O 3.41Å; A775-E915 HydrophobicContact CB-CG 4.41Å; S911-E915 WeakPolarHBondContact O-CG 3.3Å; S911-E915 PolarHBondContact O-N 3.09Å; V912-E915 PolarHBondContact O-N 3.22Å; H913-E915 VanDerWaalsContact C-N 3.3Å; H913-E915 PolarHBondContact O-N 3.02Å; E915-D917 VanDerWaalsContact C-N 3.34Å; E915-N918 PolarHBondContact OE2-ND2 3.18Å; E915-N918 VanDerWaalsContact OE2-ND2 3.12Å; E915-L919 WeakPolarHBondContact O-CB 3.34Å; E915-L919 PolarHBondContact O-N 3.18Å; E915-L919 VanDerWaalsContact O-N 3.11Å |
| 916 | L | 93 | Very high | 88.3 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -38 | 172 | -70.7 | 174.2 | 0 | 0 | 0 | 111.6 | V772 L834 I858 V861 A862 V912 H913 L919 L920 | V772-L916 HydrophobicContact CB-CD2 4.46Å; V772-L916 HydrophobicContact CG1-CD2 3.57Å; V772-L916 HydrophobicContact CG1-CG 4.19Å; V772-L916 HydrophobicContact CG2-CD2 3.98Å; V772-L916 HydrophobicContact CG2-CG 4.42Å; L834-L916 HydrophobicContact CD2-CD2 4.27Å; I858-L916 HydrophobicContact CG1-CD2 4.45Å; I858-L916 HydrophobicContact CG2-CB 4.36Å; I858-L916 HydrophobicContact CG2-CD2 4.12Å; V861-L916 HydrophobicContact CB-CD2 4.43Å; V861-L916 HydrophobicContact CG1-CD1 4.21Å; V861-L916 HydrophobicContact CG1-CD2 4.14Å; A862-L916 HydrophobicContact CB-CD1 3.94Å; V912-L916 HydrophobicContact CG1-CD1 3.89Å; V912-L916 HydrophobicContact CG1-CG 4.23Å; V912-L916 WeakPolarHBondContact O-CG 3.36Å; V912-L916 PolarHBondContact O-N 2.99Å; H913-L916 CarbonylContact O-C 3.59Å; H913-L916 WeakPolarHBondContact O-CA 3.31Å; H913-L916 WeakPolarHBondContact O-CB 3.32Å; H913-L916 PolarHBondContact O-N 3.29Å; H913-L916 VanDerWaalsContact O-N 3.09Å; L916-L919 WeakPolarHBondContact O-CB 3.33Å; L916-L919 PolarHBondContact O-N 3.14Å; L916-L920 WeakPolarHBondContact O-CB 3.25Å; L916-L920 PolarHBondContact O-N 3.3Å |
| 917 | D | 91.5 | Very high | 87.3 | Confident | 86.5 Ų | 86.5 | 48.5 Ų | 48.5 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 176.3 | -68 | -27.6 | 0 | 0 | 0 | 110.6 | H913 E915 L919 L920 D921 | H913-D917 VanDerWaalsContact O-CG 3.29Å; H913-D917 PolarHBondContact O-N 3.2Å; E915-D917 VanDerWaalsContact C-N 3.34Å; D917-L919 VanDerWaalsContact C-N 3.27Å; D917-L919 PolarHBondContact O-N 3.3Å; D917-L920 WeakPolarHBondContact O-CB 3.44Å; D917-L920 PolarHBondContact O-N 3.21Å; D917-L920 VanDerWaalsContact O-N 3.11Å; D917-D921 PolarHBondContact O-N 3.11Å |
| 918 | N | 90.4 | Very high | 86 | Confident | 63.5 Ų | 63.5 | 43.1 Ų | 43.1 | 34% | 0.34 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.2 | -39.3 | 172.7 | -71 | -31.8 | 0 | 0 | 0 | 112.6 | L768 N914 E915 C922 | L768-N918 HydrophobicContact CD2-CB 4.07Å; N914-N918 VanDerWaalsContact O-CG 3.27Å; N914-N918 PolarHBondContact O-N 3.04Å; N914-N918 VanDerWaalsContact O-N 3.16Å; N914-N918 PolarHBondContact O-ND2 3.22Å; E915-N918 PolarHBondContact OE2-ND2 3.18Å; E915-N918 VanDerWaalsContact OE2-ND2 3.12Å; N918-C922 WeakPolarHBondContact O-CB 3.28Å; N918-C922 PolarHBondContact O-N 3.29Å; N918-C922 VanDerWaalsContact O-N 3.14Å |
| 919 | L | 89.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.1 | -38.7 | 177.4 | -176.3 | 108.9 | 0 | 0 | 0 | 111.5 | L765 L768 T769 V772 L834 I858 E915 L916 D917 C922 L923 | L765-L919 HydrophobicContact CD1-CD2 4.43Å; L765-L919 HydrophobicContact CD1-CG 4.31Å; L765-L919 HydrophobicContact CD2-CD1 4.34Å; L765-L919 HydrophobicContact CG-CD1 3.86Å; L768-L919 HydrophobicContact CB-CB 4.36Å; L768-L919 HydrophobicContact CB-CD1 4.28Å; L768-L919 HydrophobicContact CB-CG 4.37Å; T769-L919 HydrophobicContact CG2-CD1 4.47Å; T769-L919 WeakPolarHBondContact OG1-CD1 3.32Å; V772-L919 HydrophobicContact CG2-CB 4.5Å; V772-L919 HydrophobicContact CG2-CD1 4.09Å; V772-L919 HydrophobicContact CG2-CD2 4.24Å; L834-L919 HydrophobicContact CD1-CD2 4.41Å; L834-L919 HydrophobicContact CD2-CD2 4.29Å; I858-L919 HydrophobicContact CD1-CD2 3.52Å; I858-L919 VanDerWaalsContact CD1-CD2 3.42Å; I858-L919 HydrophobicContact CD1-CG 3.88Å; I858-L919 HydrophobicContact CG1-CD2 3.86Å; I858-L919 HydrophobicContact CG1-CG 4.48Å; E915-L919 WeakPolarHBondContact O-CB 3.34Å; E915-L919 PolarHBondContact O-N 3.18Å; E915-L919 VanDerWaalsContact O-N 3.11Å; L916-L919 WeakPolarHBondContact O-CB 3.33Å; L916-L919 PolarHBondContact O-N 3.14Å; D917-L919 VanDerWaalsContact C-N 3.27Å; D917-L919 PolarHBondContact O-N 3.3Å; L919-C922 WeakPolarHBondContact O-CB 3.33Å; L919-C922 PolarHBondContact O-N 3.05Å; L919-L923 HydrophobicContact CD2-CD1 3.71Å; L919-L923 HydrophobicContact CD2-CG 4.37Å; L919-L923 WeakPolarHBondContact O-CB 3.18Å; L919-L923 WeakPolarHBondContact O-CG 3.43Å; L919-L923 PolarHBondContact O-N 3.31Å; L919-L923 VanDerWaalsContact O-N 3.08Å |
| 920 | L | 88 | Confident | 82.8 | Confident | 51.25 Ų | 51.25 | 50.7 Ų | 50.7 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 176.4 | -174.2 | 64.7 | 0 | 0 | 0 | 111.3 | M855 L916 D917 C922 L923 I924 | M855-L920 HydrophobicContact CE-CD1 3.84Å; M855-L920 VanDerWaalsContact CE-CD1 3.47Å; M855-L920 HydrophobicContact CG-CD1 4.04Å; M855-L920 HydrophobicContact SD-CD1 3.89Å; L916-L920 WeakPolarHBondContact O-CB 3.25Å; L916-L920 PolarHBondContact O-N 3.3Å; D917-L920 WeakPolarHBondContact O-CB 3.44Å; D917-L920 PolarHBondContact O-N 3.21Å; D917-L920 VanDerWaalsContact O-N 3.11Å; L920-C922 VanDerWaalsContact C-N 3.3Å; L920-C922 PolarHBondContact O-N 3.21Å; L920-L923 WeakPolarHBondContact O-CB 3.43Å; L920-L923 PolarHBondContact O-N 3.12Å; L920-L923 VanDerWaalsContact O-N 3.13Å; L920-I924 HydrophobicContact CD1-CD1 4.4Å; L920-I924 HydrophobicContact CG-CD1 4.04Å; L920-I924 VanDerWaalsContact O-CG1 3.29Å; L920-I924 WeakPolarHBondContact O-CG1 3.38Å; L920-I924 PolarHBondContact O-N 3.26Å |
| 921 | D | 84.6 | Confident | 81.2 | Confident | 107.25 Ų | 107.25 | 46.4 Ų | 46.4 | 57% | 0.574 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | 174.7 | -75.5 | -14.7 | 0 | 0 | 0 | 111.6 | D917 L923 I924 G925 | D917-D921 PolarHBondContact O-N 3.11Å; D921-L923 VanDerWaalsContact C-N 3.33Å; D921-L923 PolarHBondContact O-N 3.26Å; D921-I924 PolarHBondContact O-N 3.31Å; D921-G925 PolarHBondContact O-N 3.22Å |
| 922 | C | 83.9 | Confident | 79.8 | Confident | 16.5 Ų | 16.5 | 45.1 Ų | 45.1 | 11% | 0.111 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | 174.1 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | L768 N918 L919 L920 G925 T926 | L768-C922 HydrophobicContact CD1-CB 3.58Å; N918-C922 WeakPolarHBondContact O-CB 3.28Å; N918-C922 PolarHBondContact O-N 3.29Å; N918-C922 VanDerWaalsContact O-N 3.14Å; L919-C922 WeakPolarHBondContact O-CB 3.33Å; L919-C922 PolarHBondContact O-N 3.05Å; L920-C922 VanDerWaalsContact C-N 3.3Å; L920-C922 PolarHBondContact O-N 3.21Å; C922-G925 PolarHBondContact O-N 3.1Å; C922-T926 WeakPolarHBondContact O-CG2 3.18Å; C922-T926 PolarHBondContact O-N 3.23Å; C922-T926 PolarHBondContact O-OG1 3.18Å |
| 923 | L | 80.9 | Confident | 78.5 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.4 | -43.1 | 178 | -155.5 | 138.7 | 0 | 0 | 0 | 111.9 | L765 Q851 L854 M855 I858 L919 L920 D921 G925 T926 S927 | L765-L923 HydrophobicContact CD1-CD1 4.17Å; L765-L923 HydrophobicContact CD1-CD2 3.87Å; L765-L923 HydrophobicContact CD1-CG 4.13Å; L765-L923 HydrophobicContact CD2-CD2 4.39Å; Q851-L923 HydrophobicContact CB-CD1 4.38Å; Q851-L923 HydrophobicContact CB-CD2 4.06Å; Q851-L923 HydrophobicContact CG-CD1 3.95Å; Q851-L923 HydrophobicContact CG-CD2 4.06Å; Q851-L923 HydrophobicContact CG-CG 4.38Å; L854-L923 HydrophobicContact CB-CD1 4.11Å; L854-L923 HydrophobicContact CB-CD2 4.14Å; L854-L923 HydrophobicContact CD2-CD1 3.7Å; L854-L923 VanDerWaalsContact CD2-CD1 3.44Å; L854-L923 HydrophobicContact CD2-CD2 3.75Å; L854-L923 VanDerWaalsContact CD2-CD2 3.42Å; L854-L923 HydrophobicContact CD2-CG 4.23Å; L854-L923 HydrophobicContact CG-CD1 3.82Å; L854-L923 HydrophobicContact CG-CD2 4.34Å; M855-L923 HydrophobicContact CB-CD2 4.44Å; M855-L923 HydrophobicContact CE-CD2 4.25Å; M855-L923 HydrophobicContact CG-CD2 3.89Å; M855-L923 HydrophobicContact SD-CD2 4.15Å; I858-L923 HydrophobicContact CD1-CD1 4.02Å; I858-L923 HydrophobicContact CD1-CD2 4.44Å; L919-L923 HydrophobicContact CD2-CD1 3.71Å; L919-L923 HydrophobicContact CD2-CG 4.37Å; L919-L923 WeakPolarHBondContact O-CB 3.18Å; L919-L923 WeakPolarHBondContact O-CG 3.43Å; L919-L923 PolarHBondContact O-N 3.31Å; L919-L923 VanDerWaalsContact O-N 3.08Å; L920-L923 WeakPolarHBondContact O-CB 3.43Å; L920-L923 PolarHBondContact O-N 3.12Å; L920-L923 VanDerWaalsContact O-N 3.13Å; D921-L923 VanDerWaalsContact C-N 3.33Å; D921-L923 PolarHBondContact O-N 3.26Å; L923-G925 VanDerWaalsContact C-N 3.28Å; L923-G925 PolarHBondContact O-N 3.4Å; L923-T926 PolarHBondContact O-N 3.04Å; L923-T926 VanDerWaalsContact O-N 3.08Å; L923-T926 PolarHBondContact O-OG1 3.31Å; L923-T926 VanDerWaalsContact O-OG1 3.06Å; L923-S927 PolarHBondContact O-N 3.14Å |
| 924 | I | 77.9 | Confident | 77.5 | Confident | 80 Ų | 80 | 47.8 Ų | 47.8 | 41% | 0.41 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 175 | -67.3 | 165.9 | 0 | 0 | 0 | 109.6 | L920 D921 T926 S927 A930 | L920-I924 HydrophobicContact CD1-CD1 4.4Å; L920-I924 HydrophobicContact CG-CD1 4.04Å; L920-I924 VanDerWaalsContact O-CG1 3.29Å; L920-I924 WeakPolarHBondContact O-CG1 3.38Å; L920-I924 PolarHBondContact O-N 3.26Å; D921-I924 PolarHBondContact O-N 3.31Å; I924-T926 PolarHBondContact O-N 3.2Å; I924-T926 VanDerWaalsContact O-N 3.11Å; I924-S927 WeakPolarHBondContact O-CB 3.36Å; I924-S927 PolarHBondContact O-N 3.23Å; I924-S927 VanDerWaalsContact O-N 3.11Å; I924-S927 PolarHBondContact O-OG 2.93Å; I924-A930 WeakPolarHBondContact O-CB 3.37Å |
| 925 | G | 73.8 | Confident | 76.6 | Confident | 45.25 Ų | 45.25 | 45.3 Ų | 45.3 | 47% | 0.466 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.1 | -17 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D921 C922 L923 A930 | D921-G925 PolarHBondContact O-N 3.22Å; C922-G925 PolarHBondContact O-N 3.1Å; L923-G925 VanDerWaalsContact C-N 3.28Å; L923-G925 PolarHBondContact O-N 3.4Å; G925-A930 VanDerWaalsContact C-CB 3.44Å; G925-A930 VanDerWaalsContact CA-CB 3.49Å; G925-A930 VanDerWaalsContact O-CB 3.29Å; G925-A930 WeakPolarHBondContact O-CB 3.38Å |
| 926 | T | 71.8 | Confident | 75.8 | Confident | 15.25 Ų | 15.25 | 43.5 Ų | 43.5 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 0.1 | 177.2 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | A761 M845 C922 L923 I924 | A761-T926 HydrophobicContact CB-CG2 4.1Å; M845-T926 HydrophobicContact CE-CG2 3.45Å; M845-T926 WeakPolarHBondContact CG-OG1 3.28Å; M845-T926 HydrophobicContact SD-CG2 3.81Å; M845-T926 VanDerWaalsContact SD-CG2 3.57Å; M845-T926 PolarHBondContact SD-OG1 3.27Å; M845-T926 VanDerWaalsContact SD-OG1 3.4Å; C922-T926 WeakPolarHBondContact O-CG2 3.18Å; C922-T926 PolarHBondContact O-N 3.23Å; C922-T926 PolarHBondContact O-OG1 3.18Å; L923-T926 PolarHBondContact O-N 3.04Å; L923-T926 VanDerWaalsContact O-N 3.08Å; L923-T926 PolarHBondContact O-OG1 3.31Å; L923-T926 VanDerWaalsContact O-OG1 3.06Å; I924-T926 PolarHBondContact O-N 3.2Å; I924-T926 VanDerWaalsContact O-N 3.11Å |
| 927 | S | 71.9 | Confident | 75 | Confident | 10.5 Ų | 10.5 | 44.8 Ų | 44.8 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -80 | 162.1 | 177 | 127.4 | 0 | 0 | 0 | 0 | 112.3 | Q851 L923 I924 Q929 A930 H931 | Q851-S927 PolarHBondContact OE1-OG 3.42Å; L923-S927 PolarHBondContact O-N 3.14Å; I924-S927 WeakPolarHBondContact O-CB 3.36Å; I924-S927 PolarHBondContact O-N 3.23Å; I924-S927 VanDerWaalsContact O-N 3.11Å; I924-S927 PolarHBondContact O-OG 2.93Å; S927-Q929 PolarHBondContact O-N 3.15Å; S927-Q929 VanDerWaalsContact O-N 3.07Å; S927-Q929 PolarHBondContact OG-N 3.26Å; S927-A930 WeakPolarHBondContact O-CB 3.29Å; S927-A930 PolarHBondContact O-N 3.21Å; S927-A930 PolarHBondContact OG-N 3.29Å; S927-H931 PolarHBondContact O-CD2 3.12Å; S927-H931 PolarHBondContact O-N 3.13Å; S927-H931 PolarHBondContact O-ND1 2.88Å |
| 928 | I | 64.3 | Low | 74.4 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.3 | -34.9 | 171.5 | -53.9 | 167.1 | 0 | 0 | 0 | 110.6 | A930 H931 Q932 F1056 A1057 L1060 D1168 | I928-A930 VanDerWaalsContact C-N 3.27Å; I928-A930 PolarHBondContact O-N 3.12Å; I928-H931 CarbonylContact O-C 3.46Å; I928-H931 WeakPolarHBondContact O-CA 3.42Å; I928-H931 PolarHBondContact O-N 3.26Å; I928-H931 VanDerWaalsContact O-N 3.13Å; I928-Q932 PolarHBondContact O-N 3.13Å; I928-F1056 HydrophobicContact CB-CE1 4.35Å; I928-F1056 HydrophobicContact CG1-CD1 4.18Å; I928-F1056 HydrophobicContact CG1-CE1 3.83Å; I928-A1057 HydrophobicContact CG2-CB 4.11Å; I928-L1060 HydrophobicContact CD1-CD2 3.49Å; I928-L1060 HydrophobicContact CG1-CD2 3.58Å; I928-D1168 HydrophobicContact CB-CB 4.44Å; I928-D1168 HydrophobicContact CD1-CB 3.46Å; I928-D1168 WeakPolarHBondContact CD1-OD2 3.38Å; I928-D1168 HydrophobicContact CG2-CB 4.39Å |
| 929 | Q | 62 | Low | 74 | Confident | 132.75 Ų | 132.75 | 42 Ų | 42 | 62% | 0.62 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.7 | -29.9 | 177.5 | -65.8 | 179.8 | -9.8 | 0 | 0 | 112.9 | S927 Q932 | S927-Q929 PolarHBondContact O-N 3.15Å; S927-Q929 VanDerWaalsContact O-N 3.07Å; S927-Q929 PolarHBondContact OG-N 3.26Å; Q929-Q932 PolarHBondContact O-N 3.16Å; Q929-Q932 VanDerWaalsContact O-O 3.09Å |
| 930 | A | 56.2 | Low | 73.4 | Confident | 44.75 Ų | 44.75 | 42.5 Ų | 42.5 | 37% | 0.37 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -77.4 | -25 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I924 G925 S927 I928 Q932 | I924-A930 WeakPolarHBondContact O-CB 3.37Å; G925-A930 VanDerWaalsContact C-CB 3.44Å; G925-A930 VanDerWaalsContact CA-CB 3.49Å; G925-A930 VanDerWaalsContact O-CB 3.29Å; G925-A930 WeakPolarHBondContact O-CB 3.38Å; S927-A930 WeakPolarHBondContact O-CB 3.29Å; S927-A930 PolarHBondContact O-N 3.21Å; S927-A930 PolarHBondContact OG-N 3.29Å; I928-A930 VanDerWaalsContact C-N 3.27Å; I928-A930 PolarHBondContact O-N 3.12Å; A930-Q932 PolarHBondContact O-N 2.67Å |
| 931 | H | 60.2 | Low | 73 | Confident | 75.25 Ų | 75.25 | 42.3 Ų | 42.3 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -82.6 | -16.5 | 175 | -69.9 | -51.1 | 0 | 0 | 0 | 112.9 | S927 I928 D933 F1056 | S927-H931 PolarHBondContact O-CD2 3.12Å; S927-H931 PolarHBondContact O-N 3.13Å; S927-H931 PolarHBondContact O-ND1 2.88Å; I928-H931 CarbonylContact O-C 3.46Å; I928-H931 WeakPolarHBondContact O-CA 3.42Å; I928-H931 PolarHBondContact O-N 3.26Å; I928-H931 VanDerWaalsContact O-N 3.13Å; H931-D933 PolarHBondContact O-N 3.06Å; H931-F1056 HydrophobicContact CB-CB 4.32Å; H931-F1056 HydrophobicContact CB-CD1 4.12Å; H931-F1056 HydrophobicContact CB-CE1 4.47Å; H931-F1056 HydrophobicContact CB-CG 4.36Å; H931-F1056 AromaticContact CD2-CD1 3.58Å; H931-F1056 AromaticContact CD2-CD2 3.61Å; H931-F1056 VanDerWaalsContact CD2-CD2 3.45Å; H931-F1056 WeakPolarHBondContact CD2-CD2 3.24Å; H931-F1056 AromaticContact CD2-CE1 3.4Å; H931-F1056 WeakPolarHBondContact CD2-CE1 3.42Å; H931-F1056 AromaticContact CD2-CE2 3.75Å; H931-F1056 AromaticContact CD2-CG 3.5Å; H931-F1056 WeakPolarHBondContact CD2-CG 3.36Å; H931-F1056 AromaticContact CD2-CZ 3.51Å; H931-F1056 WeakPolarHBondContact CD2-CZ 3.36Å; H931-F1056 AromaticContact CE1-CE2 3.95Å; H931-F1056 AromaticContact CE1-CZ 3.99Å; H931-F1056 AromaticContact CG-CD1 3.81Å; H931-F1056 AromaticContact CG-CE1 3.99Å; H931-F1056 AromaticContact CG-CG 3.83Å; H931-F1056 AromaticContact NE2-CD2 3.54Å; H931-F1056 WeakPolarHBondContact NE2-CD2 3.25Å; H931-F1056 AromaticContact NE2-CE1 3.8Å; H931-F1056 AromaticContact NE2-CE2 3.55Å; H931-F1056 WeakPolarHBondContact NE2-CE2 3.41Å; H931-F1056 AromaticContact NE2-CG 3.93Å; H931-F1056 AromaticContact NE2-CZ 3.64Å; H931-F1056 WeakPolarHBondContact NE2-CZ 3.42Å |
| 932 | Q | 62.7 | Low | 72.7 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -78.4 | 106 | 163.6 | -66.8 | -176.7 | -7.7 | 0 | 0 | 108.7 | I928 Q929 A930 P934 M937 C1172 | I928-Q932 PolarHBondContact O-N 3.13Å; Q929-Q932 PolarHBondContact O-N 3.16Å; Q929-Q932 VanDerWaalsContact O-O 3.09Å; A930-Q932 PolarHBondContact O-N 2.67Å; Q932-P934 VanDerWaalsContact O-CD 3.27Å; Q932-P934 WeakPolarHBondContact O-CD 3.36Å; Q932-P934 VanDerWaalsContact O-N 3.07Å; Q932-M937 HydrophobicContact CB-CG 4.15Å; Q932-M937 HydrophobicContact CB-SD 4.39Å; Q932-C1172 VanDerWaalsContact NE2-CB 3.32Å; Q932-C1172 PolarHBondContact NE2-SG 3.16Å |
| 933 | D | 66.5 | Low | 72.3 | Confident | 24.75 Ų | 24.75 | 38.4 Ų | 38.4 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | trans | -58.1 | 114.1 | -179.9 | -179.5 | -5.2 | 0 | 0 | 0 | 110.4 | H931 V935 I936 M937 R1049 | H931-D933 PolarHBondContact O-N 3.06Å; D933-V935 PolarHBondContact O-N 3.08Å; D933-V935 VanDerWaalsContact O-N 3.15Å; D933-V935 VanDerWaalsContact OD1-CB 3.28Å; D933-V935 WeakPolarHBondContact OD1-CB 3.42Å; D933-V935 WeakPolarHBondContact OD1-CG2 3.34Å; D933-V935 PolarHBondContact OD1-N 3.31Å; D933-I936 HydrophobicContact CB-CB 4.22Å; D933-I936 HydrophobicContact CB-CD1 3.92Å; D933-I936 HydrophobicContact CB-CG1 4.06Å; D933-I936 PolarHBondContact O-N 3.15Å; D933-I936 VanDerWaalsContact O-N 3.11Å; D933-I936 WeakPolarHBondContact OD2-CD1 3.45Å; D933-I936 WeakPolarHBondContact OD2-CG1 3.32Å; D933-M937 WeakPolarHBondContact O-CG 3.42Å; D933-M937 PolarHBondContact O-N 3.29Å; D933-R1049 HydrophobicContact CB-CB 4.46Å; D933-R1049 WeakPolarHBondContact OD2-CD 3.47Å; D933-R1049 IonicContact OD2-CZ 3.2Å; D933-R1049 IonicContact OD2-NE 3.06Å; D933-R1049 PolarHBondContact OD2-NE 3.36Å; D933-R1049 IonicContact OD2-NH1 3.34Å; D933-R1049 PolarHBondContact OD2-NH1 3.23Å | ||
| 934 | P | 71.9 | Confident | 72.2 | Confident | 82.25 Ų | 82.25 | 44.6 Ų | 44.6 | 53% | 0.534 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.1 | -26 | -177.4 | 26.3 | -35.3 | 0 | 0 | 0 | 111.9 | Q932 N938 | Q932-P934 VanDerWaalsContact O-CD 3.27Å; Q932-P934 WeakPolarHBondContact O-CD 3.36Å; Q932-P934 VanDerWaalsContact O-N 3.07Å; P934-N938 WeakPolarHBondContact O-CB 3.31Å; P934-N938 PolarHBondContact O-N 3.29Å; P934-N938 PolarHBondContact O-ND2 3.12Å |
| 935 | V | 74.9 | Confident | 72.3 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 16% | 0.158 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 176 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | D933 N938 L939 A966 C969 L970 | D933-V935 PolarHBondContact O-N 3.08Å; D933-V935 VanDerWaalsContact O-N 3.15Å; D933-V935 VanDerWaalsContact OD1-CB 3.28Å; D933-V935 WeakPolarHBondContact OD1-CB 3.42Å; D933-V935 WeakPolarHBondContact OD1-CG2 3.34Å; D933-V935 PolarHBondContact OD1-N 3.31Å; V935-N938 PolarHBondContact O-N 3.14Å; V935-L939 WeakPolarHBondContact O-CB 3.38Å; V935-L939 PolarHBondContact O-N 3.37Å; V935-A966 HydrophobicContact CG1-CB 4.26Å; V935-A966 VanDerWaalsContact CG1-O 3.27Å; V935-A966 WeakPolarHBondContact CG1-O 3.43Å; V935-C969 HydrophobicContact CG1-CB 3.78Å; V935-C969 HydrophobicContact CG2-CB 3.99Å; V935-L970 HydrophobicContact CG1-CD2 4.14Å; V935-L970 HydrophobicContact CG1-CG 3.95Å |
| 936 | I | 76.2 | Confident | 72.6 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.6 | -40.4 | 178.9 | -60.6 | 172.5 | 0 | 0 | 0 | 110.4 | D933 N938 L939 L940 I1046 R1049 L1050 | D933-I936 HydrophobicContact CB-CB 4.22Å; D933-I936 HydrophobicContact CB-CD1 3.92Å; D933-I936 HydrophobicContact CB-CG1 4.06Å; D933-I936 PolarHBondContact O-N 3.15Å; D933-I936 VanDerWaalsContact O-N 3.11Å; D933-I936 WeakPolarHBondContact OD2-CD1 3.45Å; D933-I936 WeakPolarHBondContact OD2-CG1 3.32Å; I936-N938 VanDerWaalsContact C-N 3.34Å; I936-N938 PolarHBondContact O-N 3.28Å; I936-L939 WeakPolarHBondContact O-CB 3.44Å; I936-L939 PolarHBondContact O-N 3.36Å; I936-L940 HydrophobicContact CG2-CD1 3.96Å; I936-L940 HydrophobicContact CG2-CG 4.27Å; I936-L940 WeakPolarHBondContact O-CB 3.29Å; I936-L940 WeakPolarHBondContact O-CG 3.2Å; I936-L940 PolarHBondContact O-N 3.16Å; I936-I1046 HydrophobicContact CD1-CB 4.37Å; I936-I1046 HydrophobicContact CD1-CG1 4.47Å; I936-I1046 HydrophobicContact CD1-CG2 4.19Å; I936-I1046 HydrophobicContact CG1-CG1 4.47Å; I936-I1046 HydrophobicContact CG1-CG2 4.44Å; I936-I1046 HydrophobicContact CG2-CG2 4.15Å; I936-R1049 HydrophobicContact CD1-CB 3.58Å; I936-R1049 VanDerWaalsContact CD1-CB 3.46Å; I936-R1049 HydrophobicContact CD1-CG 4.31Å; I936-L1050 HydrophobicContact CD1-CG 4.4Å; I936-L1050 HydrophobicContact CG2-CD1 4.43Å; I936-L1050 HydrophobicContact CG2-CD2 3.98Å; I936-L1050 HydrophobicContact CG2-CG 4.25Å |
| 937 | M | 76.8 | Confident | 72.7 | Confident | 32.75 Ų | 32.75 | 45.4 Ų | 45.4 | 16% | 0.161 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 176.6 | -65.8 | -56.5 | 108.8 | 0 | 0 | 111.5 | Q932 D933 L940 S941 L1050 N1175 | Q932-M937 HydrophobicContact CB-CG 4.15Å; Q932-M937 HydrophobicContact CB-SD 4.39Å; D933-M937 WeakPolarHBondContact O-CG 3.42Å; D933-M937 PolarHBondContact O-N 3.29Å; M937-L940 HydrophobicContact CE-CD1 4.06Å; M937-L940 PolarHBondContact O-N 3.21Å; M937-S941 VanDerWaalsContact O-CB 3.28Å; M937-S941 WeakPolarHBondContact O-CB 3.4Å; M937-S941 PolarHBondContact O-N 3.06Å; M937-S941 PolarHBondContact O-OG 3.04Å; M937-L1050 HydrophobicContact CE-CD2 3.86Å; M937-N1175 HydrophobicContact CE-CB 4.03Å; M937-N1175 HydrophobicContact SD-CB 4.19Å; M937-N1175 PolarHBondContact SD-ND2 2.96Å |
| 938 | N | 78.5 | Confident | 73.1 | Confident | 89.25 Ų | 89.25 | 48.4 Ų | 48.4 | 48% | 0.477 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 173.4 | -74.4 | -20.9 | 0 | 0 | 0 | 111.6 | P934 V935 I936 L940 S941 V942 A966 | P934-N938 WeakPolarHBondContact O-CB 3.31Å; P934-N938 PolarHBondContact O-N 3.29Å; P934-N938 PolarHBondContact O-ND2 3.12Å; V935-N938 PolarHBondContact O-N 3.14Å; I936-N938 VanDerWaalsContact C-N 3.34Å; I936-N938 PolarHBondContact O-N 3.28Å; N938-L940 PolarHBondContact O-N 3.26Å; N938-S941 PolarHBondContact O-N 3.05Å; N938-S941 PolarHBondContact O-OG 2.69Å; N938-V942 VanDerWaalsContact O-CB 3.25Å; N938-V942 WeakPolarHBondContact O-CB 3.33Å; N938-V942 WeakPolarHBondContact O-CG2 3.41Å; N938-V942 PolarHBondContact O-N 3.01Å; N938-A966 HydrophobicContact CB-CB 4.41Å |
| 939 | L | 80.5 | Confident | 73.7 | Confident | 0.5 Ų | 0.5 | 48.6 Ų | 48.6 | 0% | 0.003 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.4 | -50.4 | 175.1 | -179.4 | 109 | 0 | 0 | 0 | 111.4 | V935 I936 S943 L963 V967 L970 V1035 A1038 I1046 | V935-L939 WeakPolarHBondContact O-CB 3.38Å; V935-L939 PolarHBondContact O-N 3.37Å; I936-L939 WeakPolarHBondContact O-CB 3.44Å; I936-L939 PolarHBondContact O-N 3.36Å; L939-S943 VanDerWaalsContact O-CB 3.25Å; L939-S943 WeakPolarHBondContact O-CB 3.28Å; L939-S943 PolarHBondContact O-N 3.07Å; L939-L963 HydrophobicContact CD1-CD1 3.56Å; L939-L963 VanDerWaalsContact CD1-CD1 3.46Å; L939-L963 HydrophobicContact CG-CD1 4.24Å; L939-V967 HydrophobicContact CD1-CG2 3.84Å; L939-L970 HydrophobicContact CD1-CD1 3.53Å; L939-L970 HydrophobicContact CD2-CD1 4.04Å; L939-V1035 HydrophobicContact CD1-CG2 4.15Å; L939-A1038 HydrophobicContact CD1-CB 4.04Å; L939-I1046 HydrophobicContact CD2-CD1 4.28Å |
| 940 | L | 77.2 | Confident | 74.4 | Confident | 11.25 Ų | 11.25 | 45.6 Ų | 45.6 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -46 | 179.5 | -69.2 | 173.7 | 0 | 0 | 0 | 111.7 | I936 M937 N938 V942 S943 H944 N1175 V1179 | I936-L940 HydrophobicContact CG2-CD1 3.96Å; I936-L940 HydrophobicContact CG2-CG 4.27Å; I936-L940 WeakPolarHBondContact O-CB 3.29Å; I936-L940 WeakPolarHBondContact O-CG 3.2Å; I936-L940 PolarHBondContact O-N 3.16Å; M937-L940 HydrophobicContact CE-CD1 4.06Å; M937-L940 PolarHBondContact O-N 3.21Å; N938-L940 PolarHBondContact O-N 3.26Å; L940-V942 PolarHBondContact O-N 2.94Å; L940-S943 WeakPolarHBondContact O-CB 3.45Å; L940-S943 PolarHBondContact O-N 3.31Å; L940-H944 PolarHBondContact O-N 3.19Å; L940-H944 VanDerWaalsContact O-N 3.14Å; L940-H944 PolarHBondContact O-ND1 3Å; L940-N1175 HydrophobicContact CD1-CB 4.38Å; L940-V1179 HydrophobicContact CD2-CG2 4.24Å |
| 941 | S | 79.8 | Confident | 75.4 | Confident | 46.5 Ų | 46.5 | 45.8 Ų | 45.8 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | -178.3 | 119.7 | 0 | 0 | 0 | 0 | 112.1 | M937 N938 H944 Q945 | M937-S941 VanDerWaalsContact O-CB 3.28Å; M937-S941 WeakPolarHBondContact O-CB 3.4Å; M937-S941 PolarHBondContact O-N 3.06Å; M937-S941 PolarHBondContact O-OG 3.04Å; N938-S941 PolarHBondContact O-N 3.05Å; N938-S941 PolarHBondContact O-OG 2.69Å; S941-H944 PolarHBondContact O-N 2.93Å; S941-Q945 WeakPolarHBondContact O-CB 3.35Å; S941-Q945 VanDerWaalsContact O-CD 3.24Å; S941-Q945 VanDerWaalsContact O-CG 3.23Å; S941-Q945 WeakPolarHBondContact O-CG 3.37Å; S941-Q945 PolarHBondContact O-N 2.99Å; S941-Q945 VanDerWaalsContact O-N 3.13Å; S941-Q945 PolarHBondContact O-NE2 3.31Å; S941-Q945 PolarHBondContact OG-NE2 3.09Å |
| 942 | V | 77.7 | Confident | 76.5 | Confident | 10.25 Ų | 10.25 | 45.6 Ų | 45.6 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69 | -40.2 | 177.9 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | N938 L940 H944 Q945 L946 K959 A962 L963 | N938-V942 VanDerWaalsContact O-CB 3.25Å; N938-V942 WeakPolarHBondContact O-CB 3.33Å; N938-V942 WeakPolarHBondContact O-CG2 3.41Å; N938-V942 PolarHBondContact O-N 3.01Å; L940-V942 PolarHBondContact O-N 2.94Å; V942-H944 VanDerWaalsContact C-N 3.35Å; V942-H944 PolarHBondContact O-N 3.22Å; V942-Q945 PolarHBondContact O-N 3.36Å; V942-Q945 VanDerWaalsContact O-N 3.14Å; V942-L946 HydrophobicContact CG1-CD1 4.22Å; V942-L946 HydrophobicContact CG1-CG 4.29Å; V942-L946 WeakPolarHBondContact O-CD1 3.45Å; V942-L946 VanDerWaalsContact O-CG 3.29Å; V942-L946 WeakPolarHBondContact O-CG 3.35Å; V942-L946 PolarHBondContact O-N 3.14Å; V942-K959 HydrophobicContact CG1-CB 4.25Å; V942-K959 HydrophobicContact CG1-CD 4.46Å; V942-K959 WeakPolarHBondContact CG1-O 3.41Å; V942-K959 HydrophobicContact CG2-CD 4.49Å; V942-A962 HydrophobicContact CG2-CB 4.41Å; V942-L963 HydrophobicContact CG1-CB 3.82Å; V942-L963 HydrophobicContact CG1-CD1 4.34Å |
| 943 | S | 77 | Confident | 77.3 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.2 | -50.8 | 172.1 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | L939 L940 Q945 L946 P947 | L939-S943 VanDerWaalsContact O-CB 3.25Å; L939-S943 WeakPolarHBondContact O-CB 3.28Å; L939-S943 PolarHBondContact O-N 3.07Å; L940-S943 WeakPolarHBondContact O-CB 3.45Å; L940-S943 PolarHBondContact O-N 3.31Å; S943-Q945 VanDerWaalsContact C-N 3.3Å; S943-Q945 PolarHBondContact O-N 3.11Å; S943-L946 PolarHBondContact O-N 3.02Å; S943-P947 WeakPolarHBondContact O-CD 3.34Å |
| 944 | H | 78.2 | Confident | 78.2 | Confident | 135.75 Ų | 135.75 | 47.7 Ų | 47.7 | 63% | 0.628 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.6 | -25.6 | 179.4 | -71.6 | 82.5 | 0 | 0 | 0 | 113.7 | L940 S941 V942 | L940-H944 PolarHBondContact O-N 3.19Å; L940-H944 VanDerWaalsContact O-N 3.14Å; L940-H944 PolarHBondContact O-ND1 3Å; S941-H944 PolarHBondContact O-N 2.93Å; V942-H944 VanDerWaalsContact C-N 3.35Å; V942-H944 PolarHBondContact O-N 3.22Å |
| 945 | Q | 81.1 | Confident | 78.8 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -88.3 | -18.1 | -178 | -72.4 | 173.5 | 23.3 | 0 | 0 | 114 | S941 V942 S943 G948 S949 K959 | S941-Q945 WeakPolarHBondContact O-CB 3.35Å; S941-Q945 VanDerWaalsContact O-CD 3.24Å; S941-Q945 VanDerWaalsContact O-CG 3.23Å; S941-Q945 WeakPolarHBondContact O-CG 3.37Å; S941-Q945 PolarHBondContact O-N 2.99Å; S941-Q945 VanDerWaalsContact O-N 3.13Å; S941-Q945 PolarHBondContact O-NE2 3.31Å; S941-Q945 PolarHBondContact OG-NE2 3.09Å; V942-Q945 PolarHBondContact O-N 3.36Å; V942-Q945 VanDerWaalsContact O-N 3.14Å; S943-Q945 VanDerWaalsContact C-N 3.3Å; S943-Q945 PolarHBondContact O-N 3.11Å; Q945-G948 PolarHBondContact O-N 3.23Å; Q945-S949 PolarHBondContact O-N 3Å; Q945-S949 PolarHBondContact O-OG 3.02Å; Q945-K959 HydrophobicContact CB-CD 4.42Å |
| 946 | L | 79.8 | Confident | 79.4 | Confident | 3.25 Ų | 3.25 | 45.9 Ų | 45.9 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -49.4 | -179.4 | -84.4 | 157.3 | 0 | 0 | 0 | 112.7 | V942 S943 G948 S949 L956 K959 L963 A1031 | V942-L946 HydrophobicContact CG1-CD1 4.22Å; V942-L946 HydrophobicContact CG1-CG 4.29Å; V942-L946 WeakPolarHBondContact O-CD1 3.45Å; V942-L946 VanDerWaalsContact O-CG 3.29Å; V942-L946 WeakPolarHBondContact O-CG 3.35Å; V942-L946 PolarHBondContact O-N 3.14Å; S943-L946 PolarHBondContact O-N 3.02Å; L946-G948 VanDerWaalsContact C-N 3.3Å; L946-G948 PolarHBondContact O-N 3.16Å; L946-S949 PolarHBondContact O-N 2.98Å; L946-S949 VanDerWaalsContact O-N 3.14Å; L946-S949 PolarHBondContact O-OG 3.2Å; L946-L956 HydrophobicContact CD2-CD1 3.74Å; L946-K959 HydrophobicContact CD2-CB 4.17Å; L946-L963 HydrophobicContact CD1-CD2 4.01Å; L946-A1031 HydrophobicContact CD1-CB 3.61Å; L946-A1031 HydrophobicContact CD2-CB 4.1Å; L946-A1031 HydrophobicContact CG-CB 4.45Å |
| 947 | P | 74.2 | Confident | 79.8 | Confident | 70.5 Ų | 70.5 | 46.6 Ų | 46.6 | 46% | 0.458 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -63.7 | -31.1 | 177.8 | -21.6 | 33.1 | 0 | 0 | 0 | 113.3 | S943 S949 V950 | S943-P947 WeakPolarHBondContact O-CD 3.34Å; P947-S949 VanDerWaalsContact C-N 3.28Å; P947-S949 PolarHBondContact O-N 3.04Å; P947-V950 VanDerWaalsContact O-CG2 3.24Å; P947-V950 WeakPolarHBondContact O-CG2 3.36Å |
| 948 | G | 78.9 | Confident | 80.3 | Confident | 72 Ų | 72 | 53 Ų | 53 | 74% | 0.742 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -76.3 | -10.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q945 L946 V950 | Q945-G948 PolarHBondContact O-N 3.23Å; L946-G948 VanDerWaalsContact C-N 3.3Å; L946-G948 PolarHBondContact O-N 3.16Å; G948-V950 VanDerWaalsContact C-N 3.32Å |
| 949 | S | 78 | Confident | 80.7 | Confident | 13.25 Ų | 13.25 | 51.5 Ų | 51.5 | 9% | 0.093 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -95.2 | 3.4 | -179.5 | 5.7 | 0 | 0 | 0 | 0 | 113.7 | Q945 L946 P947 G951 D952 L956 K959 | Q945-S949 PolarHBondContact O-N 3Å; Q945-S949 PolarHBondContact O-OG 3.02Å; L946-S949 PolarHBondContact O-N 2.98Å; L946-S949 VanDerWaalsContact O-N 3.14Å; L946-S949 PolarHBondContact O-OG 3.2Å; P947-S949 VanDerWaalsContact C-N 3.28Å; P947-S949 PolarHBondContact O-N 3.04Å; S949-G951 PolarHBondContact O-N 3.21Å; S949-D952 PolarHBondContact O-N 3.03Å; S949-L956 WeakPolarHBondContact OG-CD1 3.37Å; S949-K959 VanDerWaalsContact OG-CD 3.32Å; S949-K959 WeakPolarHBondContact OG-CD 3.09Å; S949-K959 WeakPolarHBondContact OG-CE 3.38Å; S949-K959 PolarHBondContact OG-NZ 3.01Å |
| 950 | V | 76 | Confident | 81.1 | Confident | 70.5 Ų | 70.5 | 51.5 Ų | 51.5 | 43% | 0.427 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 126.6 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | P947 G948 L1021 I1028 | P947-V950 VanDerWaalsContact O-CG2 3.24Å; P947-V950 WeakPolarHBondContact O-CG2 3.36Å; G948-V950 VanDerWaalsContact C-N 3.32Å; V950-L1021 HydrophobicContact CG1-CD1 3.95Å; V950-I1028 HydrophobicContact CG2-CD1 3.3Å; V950-I1028 VanDerWaalsContact CG2-CD1 3.43Å |
| 951 | G | 77.4 | Confident | 81.7 | Confident | 48.25 Ų | 48.25 | 54.5 Ų | 54.5 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.5 | -27.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S949 Q1019 Q1024 | S949-G951 PolarHBondContact O-N 3.21Å; G951-Q1019 PolarHBondContact O-NE2 3.22Å; G951-Q1019 PolarHBondContact O-OE1 3.19Å; G951-Q1024 VanDerWaalsContact N-OE1 3.1Å |
| 952 | D | 82.7 | Confident | 82 | Confident | 72.25 Ų | 72.25 | 54.5 Ų | 54.5 | 39% | 0.386 | 31% | 0.314 | S | S | . | . | trans | -118.4 | 91.4 | 171.7 | -173.4 | -14 | 0 | 0 | 0 | 110.1 | S949 L954 L955 L956 | S949-D952 PolarHBondContact O-N 3.03Å; D952-L954 PolarHBondContact O-N 3.06Å; D952-L954 WeakPolarHBondContact OD1-CA 3.49Å; D952-L954 WeakPolarHBondContact OD1-CB 3.44Å; D952-L954 PolarHBondContact OD1-N 3.17Å; D952-L954 VanDerWaalsContact OD1-N 3.13Å; D952-L955 HydrophobicContact CB-CB 3.95Å; D952-L955 HydrophobicContact CB-CD1 4.03Å; D952-L955 HydrophobicContact CB-CG 4.17Å; D952-L955 WeakPolarHBondContact O-CB 3.15Å; D952-L955 PolarHBondContact O-N 3.21Å; D952-L955 VanDerWaalsContact O-N 3.11Å; D952-L955 PolarHBondContact OD1-N 3.23Å; D952-L955 VanDerWaalsContact OD1-N 3.14Å; D952-L955 WeakPolarHBondContact OD2-CB 3.42Å; D952-L955 WeakPolarHBondContact OD2-CD1 3.33Å; D952-L955 VanDerWaalsContact OD2-CG 3.23Å; D952-L955 WeakPolarHBondContact OD2-CG 3.34Å; D952-L956 WeakPolarHBondContact O-CB 3.32Å; D952-L956 PolarHBondContact O-N 3.31Å | ||
| 953 | G | 80.8 | Confident | 82.5 | Confident | 1.25 Ų | 1.25 | 54.1 Ų | 54.1 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -27.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V957 A1018 | G953-V957 WeakPolarHBondContact O-CB 3.39Å; G953-V957 VanDerWaalsContact O-CG2 3.25Å; G953-V957 WeakPolarHBondContact O-CG2 3.38Å; G953-V957 PolarHBondContact O-N 3.26Å; G953-A1018 VanDerWaalsContact CA-O 3.29Å; G953-A1018 WeakPolarHBondContact CA-O 3.29Å; G953-A1018 PolarHBondContact N-O 3.2Å |
| 954 | L | 84.2 | Confident | 83.1 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 51% | 0.508 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.6 | -39.6 | 177.1 | -93.4 | 146.6 | 0 | 0 | 0 | 111.4 | D952 L956 V957 R958 A1018 | D952-L954 PolarHBondContact O-N 3.06Å; D952-L954 WeakPolarHBondContact OD1-CA 3.49Å; D952-L954 WeakPolarHBondContact OD1-CB 3.44Å; D952-L954 PolarHBondContact OD1-N 3.17Å; D952-L954 VanDerWaalsContact OD1-N 3.13Å; L954-L956 VanDerWaalsContact C-N 3.31Å; L954-V957 PolarHBondContact O-N 3.07Å; L954-R958 WeakPolarHBondContact O-CD 3.32Å; L954-R958 VanDerWaalsContact O-CG 3.24Å; L954-R958 WeakPolarHBondContact O-CG 3.4Å; L954-R958 PolarHBondContact O-N 3.11Å; L954-A1018 HydrophobicContact CG-CB 4.48Å |
| 955 | L | 84.6 | Confident | 83.6 | Confident | 72.25 Ų | 72.25 | 49.2 Ų | 49.2 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 171.6 | -124 | 122.6 | 0 | 0 | 0 | 111.1 | D952 V957 R958 K959 | D952-L955 HydrophobicContact CB-CB 3.95Å; D952-L955 HydrophobicContact CB-CD1 4.03Å; D952-L955 HydrophobicContact CB-CG 4.17Å; D952-L955 WeakPolarHBondContact O-CB 3.15Å; D952-L955 PolarHBondContact O-N 3.21Å; D952-L955 VanDerWaalsContact O-N 3.11Å; D952-L955 PolarHBondContact OD1-N 3.23Å; D952-L955 VanDerWaalsContact OD1-N 3.14Å; D952-L955 WeakPolarHBondContact OD2-CB 3.42Å; D952-L955 WeakPolarHBondContact OD2-CD1 3.33Å; D952-L955 VanDerWaalsContact OD2-CG 3.23Å; D952-L955 WeakPolarHBondContact OD2-CG 3.34Å; L955-V957 PolarHBondContact O-N 2.79Å; L955-R958 WeakPolarHBondContact O-CB 3.49Å; L955-R958 PolarHBondContact O-N 3.21Å; L955-K959 VanDerWaalsContact O-CG 3.3Å; L955-K959 WeakPolarHBondContact O-CG 3.35Å; L955-K959 PolarHBondContact O-N 3.01Å |
| 956 | L | 86.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 176.7 | -177.3 | 67.9 | 0 | 0 | 0 | 111.7 | L946 S949 D952 L954 R958 K959 A960 Q1024 V1027 I1028 | L946-L956 HydrophobicContact CD2-CD1 3.74Å; S949-L956 WeakPolarHBondContact OG-CD1 3.37Å; D952-L956 WeakPolarHBondContact O-CB 3.32Å; D952-L956 PolarHBondContact O-N 3.31Å; L954-L956 VanDerWaalsContact C-N 3.31Å; L956-R958 VanDerWaalsContact C-N 3.34Å; L956-R958 PolarHBondContact O-N 3.06Å; L956-K959 CarbonylContact O-C 3.59Å; L956-K959 WeakPolarHBondContact O-CB 3.47Å; L956-K959 PolarHBondContact O-N 3.09Å; L956-K959 VanDerWaalsContact O-N 3.08Å; L956-A960 WeakPolarHBondContact O-CB 3.31Å; L956-A960 PolarHBondContact O-N 3.15Å; L956-Q1024 HydrophobicContact CD2-CB 3.71Å; L956-Q1024 HydrophobicContact CD2-CG 3.96Å; L956-Q1024 WeakPolarHBondContact CD2-O 3.33Å; L956-V1027 HydrophobicContact CD1-CG1 4.41Å; L956-V1027 HydrophobicContact CD2-CB 3.99Å; L956-V1027 HydrophobicContact CD2-CG1 4.07Å; L956-V1027 HydrophobicContact CG-CB 4.4Å; L956-V1027 HydrophobicContact CG-CG1 3.92Å; L956-I1028 HydrophobicContact CD1-CD1 4.28Å; L956-I1028 HydrophobicContact CD1-CG1 3.83Å; L956-I1028 HydrophobicContact CD2-CD1 4.39Å; L956-I1028 HydrophobicContact CD2-CG1 4.28Å |
| 957 | V | 86.3 | Confident | 84.2 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 176.2 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | G953 L954 L955 K959 A960 N961 A1010 C1013 A1014 | G953-V957 WeakPolarHBondContact O-CB 3.39Å; G953-V957 VanDerWaalsContact O-CG2 3.25Å; G953-V957 WeakPolarHBondContact O-CG2 3.38Å; G953-V957 PolarHBondContact O-N 3.26Å; L954-V957 PolarHBondContact O-N 3.07Å; L955-V957 PolarHBondContact O-N 2.79Å; V957-K959 VanDerWaalsContact C-N 3.32Å; V957-K959 PolarHBondContact O-N 3.13Å; V957-A960 PolarHBondContact O-N 3.09Å; V957-N961 WeakPolarHBondContact O-CB 3.36Å; V957-N961 VanDerWaalsContact O-CG 3.29Å; V957-N961 PolarHBondContact O-N 3.14Å; V957-N961 PolarHBondContact O-ND2 3.32Å; V957-A1010 HydrophobicContact CG1-CB 4.39Å; V957-A1010 HydrophobicContact CG2-CB 4.44Å; V957-A1010 VanDerWaalsContact CG2-O 3.28Å; V957-A1010 WeakPolarHBondContact CG2-O 3.29Å; V957-C1013 HydrophobicContact CG2-CB 4.07Å; V957-A1014 HydrophobicContact CG1-CB 4.33Å; V957-A1014 HydrophobicContact CG2-CB 4.39Å |
| 958 | R | 87 | Confident | 84.9 | Confident | 167.5 Ų | 167.5 | 47.3 Ų | 47.3 | 63% | 0.632 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62 | -39.3 | 174.1 | -73.3 | 174.8 | -172.7 | 165.8 | 3.6 | 112.1 | L954 L955 L956 N961 A962 | L954-R958 WeakPolarHBondContact O-CD 3.32Å; L954-R958 VanDerWaalsContact O-CG 3.24Å; L954-R958 WeakPolarHBondContact O-CG 3.4Å; L954-R958 PolarHBondContact O-N 3.11Å; L955-R958 WeakPolarHBondContact O-CB 3.49Å; L955-R958 PolarHBondContact O-N 3.21Å; L956-R958 VanDerWaalsContact C-N 3.34Å; L956-R958 PolarHBondContact O-N 3.06Å; R958-N961 PolarHBondContact O-N 2.89Å; R958-A962 WeakPolarHBondContact O-CB 3.38Å; R958-A962 PolarHBondContact O-N 3.02Å; R958-A962 VanDerWaalsContact O-N 3.11Å |
| 959 | K | 87.4 | Confident | 85.3 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 175.8 | -69.8 | -91.2 | 178.5 | -177.8 | 0 | 111.7 | V942 Q945 L946 S949 L955 L956 V957 N961 A962 L963 | V942-K959 HydrophobicContact CG1-CB 4.25Å; V942-K959 HydrophobicContact CG1-CD 4.46Å; V942-K959 WeakPolarHBondContact CG1-O 3.41Å; V942-K959 HydrophobicContact CG2-CD 4.49Å; Q945-K959 HydrophobicContact CB-CD 4.42Å; L946-K959 HydrophobicContact CD2-CB 4.17Å; S949-K959 VanDerWaalsContact OG-CD 3.32Å; S949-K959 WeakPolarHBondContact OG-CD 3.09Å; S949-K959 WeakPolarHBondContact OG-CE 3.38Å; S949-K959 PolarHBondContact OG-NZ 3.01Å; L955-K959 VanDerWaalsContact O-CG 3.3Å; L955-K959 WeakPolarHBondContact O-CG 3.35Å; L955-K959 PolarHBondContact O-N 3.01Å; L956-K959 CarbonylContact O-C 3.59Å; L956-K959 WeakPolarHBondContact O-CB 3.47Å; L956-K959 PolarHBondContact O-N 3.09Å; L956-K959 VanDerWaalsContact O-N 3.08Å; V957-K959 VanDerWaalsContact C-N 3.32Å; V957-K959 PolarHBondContact O-N 3.13Å; K959-N961 VanDerWaalsContact C-N 3.34Å; K959-N961 PolarHBondContact O-N 3.05Å; K959-A962 PolarHBondContact O-N 3.12Å; K959-L963 PolarHBondContact O-N 3.09Å |
| 960 | A | 88 | Confident | 85.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L956 V957 A962 L963 A964 L1006 A1010 V1027 | L956-A960 WeakPolarHBondContact O-CB 3.31Å; L956-A960 PolarHBondContact O-N 3.15Å; V957-A960 PolarHBondContact O-N 3.09Å; A960-A962 PolarHBondContact O-N 3.41Å; A960-L963 WeakPolarHBondContact O-CB 3.4Å; A960-L963 PolarHBondContact O-N 3.14Å; A960-A964 WeakPolarHBondContact O-CB 3.33Å; A960-A964 PolarHBondContact O-N 3.14Å; A960-L1006 HydrophobicContact CB-CD1 4.09Å; A960-L1006 HydrophobicContact CB-CD2 4.31Å; A960-L1006 HydrophobicContact CB-CG 4.33Å; A960-A1010 HydrophobicContact CB-CB 4.24Å; A960-V1027 HydrophobicContact CB-CG1 3.89Å |
| 961 | N | 89 | Confident | 86.2 | Confident | 73.75 Ų | 73.75 | 42.7 Ų | 42.7 | 39% | 0.394 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66 | -37.5 | 174.9 | -71 | -20.2 | 0 | 0 | 0 | 112.3 | V957 R958 K959 L963 A964 S965 L1007 | V957-N961 WeakPolarHBondContact O-CB 3.36Å; V957-N961 VanDerWaalsContact O-CG 3.29Å; V957-N961 PolarHBondContact O-N 3.14Å; V957-N961 PolarHBondContact O-ND2 3.32Å; R958-N961 PolarHBondContact O-N 2.89Å; K959-N961 VanDerWaalsContact C-N 3.34Å; K959-N961 PolarHBondContact O-N 3.05Å; N961-L963 VanDerWaalsContact C-N 3.35Å; N961-A964 PolarHBondContact O-N 3.3Å; N961-S965 WeakPolarHBondContact O-CB 3.37Å; N961-S965 PolarHBondContact O-N 3.07Å; N961-S965 VanDerWaalsContact O-N 3.08Å; N961-L1007 VanDerWaalsContact OD1-CD2 3.3Å; N961-L1007 WeakPolarHBondContact OD1-CD2 3.43Å |
| 962 | A | 87.2 | Confident | 86.6 | Confident | 47.75 Ų | 47.75 | 43.1 Ų | 43.1 | 40% | 0.395 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.9 | -38.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V942 R958 K959 A960 S965 A966 | V942-A962 HydrophobicContact CG2-CB 4.41Å; R958-A962 WeakPolarHBondContact O-CB 3.38Å; R958-A962 PolarHBondContact O-N 3.02Å; R958-A962 VanDerWaalsContact O-N 3.11Å; K959-A962 PolarHBondContact O-N 3.12Å; A960-A962 PolarHBondContact O-N 3.41Å; A962-S965 PolarHBondContact O-N 3.18Å; A962-A966 PolarHBondContact O-N 3.33Å; A962-A966 VanDerWaalsContact O-N 3.08Å |
| 963 | L | 88.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -48.7 | 172.4 | 178.3 | 65.3 | 0 | 0 | 0 | 111.1 | L939 V942 L946 K959 A960 N961 S965 A966 V967 L1006 A1031 L1034 V1035 | L939-L963 HydrophobicContact CD1-CD1 3.56Å; L939-L963 VanDerWaalsContact CD1-CD1 3.46Å; L939-L963 HydrophobicContact CG-CD1 4.24Å; V942-L963 HydrophobicContact CG1-CB 3.82Å; V942-L963 HydrophobicContact CG1-CD1 4.34Å; L946-L963 HydrophobicContact CD1-CD2 4.01Å; K959-L963 PolarHBondContact O-N 3.09Å; A960-L963 WeakPolarHBondContact O-CB 3.4Å; A960-L963 PolarHBondContact O-N 3.14Å; N961-L963 VanDerWaalsContact C-N 3.35Å; L963-S965 VanDerWaalsContact C-N 3.31Å; L963-S965 PolarHBondContact O-N 3.16Å; L963-A966 PolarHBondContact O-N 3.07Å; L963-A966 VanDerWaalsContact O-N 3.13Å; L963-V967 HydrophobicContact CD1-CG2 4.22Å; L963-V967 HydrophobicContact CG-CG2 4.37Å; L963-V967 VanDerWaalsContact O-CG2 3.3Å; L963-V967 WeakPolarHBondContact O-CG2 3.42Å; L963-V967 PolarHBondContact O-N 3.31Å; L963-L1006 HydrophobicContact CB-CD2 4.49Å; L963-L1006 HydrophobicContact CD2-CD2 3.99Å; L963-L1006 HydrophobicContact CG-CD2 4.45Å; L963-A1031 HydrophobicContact CD2-CB 3.82Å; L963-L1034 HydrophobicContact CD2-CB 4.45Å; L963-L1034 HydrophobicContact CD2-CD2 4.11Å; L963-L1034 HydrophobicContact CG-CD2 4.09Å; L963-V1035 HydrophobicContact CD1-CG2 3.84Å; L963-V1035 HydrophobicContact CD2-CG2 3.88Å; L963-V1035 HydrophobicContact CG-CG2 4.46Å |
| 964 | A | 88.4 | Confident | 86.8 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A960 N961 A966 V967 E968 I1003 L1006 L1007 | A960-A964 WeakPolarHBondContact O-CB 3.33Å; A960-A964 PolarHBondContact O-N 3.14Å; N961-A964 PolarHBondContact O-N 3.3Å; A964-A966 PolarHBondContact O-N 2.96Å; A964-V967 PolarHBondContact O-N 3.2Å; A964-E968 WeakPolarHBondContact O-CB 3.39Å; A964-E968 WeakPolarHBondContact O-CG 3.41Å; A964-E968 PolarHBondContact O-N 3.29Å; A964-I1003 HydrophobicContact CB-CG2 4.17Å; A964-L1006 HydrophobicContact CB-CD2 4.44Å; A964-L1007 HydrophobicContact CB-CD2 3.9Å; A964-L1007 HydrophobicContact CB-CG 4.22Å |
| 965 | S | 89.8 | Confident | 86.8 | Confident | 64 Ų | 64 | 41.9 Ų | 41.9 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 113 | N961 A962 L963 E968 C969 | N961-S965 WeakPolarHBondContact O-CB 3.37Å; N961-S965 PolarHBondContact O-N 3.07Å; N961-S965 VanDerWaalsContact O-N 3.08Å; A962-S965 PolarHBondContact O-N 3.18Å; L963-S965 VanDerWaalsContact C-N 3.31Å; L963-S965 PolarHBondContact O-N 3.16Å; S965-E968 PolarHBondContact O-N 3.08Å; S965-C969 PolarHBondContact O-N 3.08Å; S965-C969 VanDerWaalsContact O-N 3.16Å; S965-C969 PolarHBondContact O-SG 3.18Å; S965-C969 VanDerWaalsContact O-SG 3.36Å |
| 966 | A | 86.3 | Confident | 86.6 | Confident | 7.5 Ų | 7.5 | 41.2 Ų | 41.2 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V935 N938 A962 L963 A964 C969 L970 | V935-A966 HydrophobicContact CG1-CB 4.26Å; V935-A966 VanDerWaalsContact CG1-O 3.27Å; V935-A966 WeakPolarHBondContact CG1-O 3.43Å; N938-A966 HydrophobicContact CB-CB 4.41Å; A962-A966 PolarHBondContact O-N 3.33Å; A962-A966 VanDerWaalsContact O-N 3.08Å; L963-A966 PolarHBondContact O-N 3.07Å; L963-A966 VanDerWaalsContact O-N 3.13Å; A964-A966 PolarHBondContact O-N 2.96Å; A966-C969 WeakPolarHBondContact O-CB 3.38Å; A966-C969 PolarHBondContact O-N 3.15Å; A966-L970 PolarHBondContact O-N 3.17Å |
| 967 | V | 86.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.8 | -32.2 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | L939 L963 A964 C969 L970 V971 L999 I1003 L1034 A1038 | L939-V967 HydrophobicContact CD1-CG2 3.84Å; L963-V967 HydrophobicContact CD1-CG2 4.22Å; L963-V967 HydrophobicContact CG-CG2 4.37Å; L963-V967 VanDerWaalsContact O-CG2 3.3Å; L963-V967 WeakPolarHBondContact O-CG2 3.42Å; L963-V967 PolarHBondContact O-N 3.31Å; A964-V967 PolarHBondContact O-N 3.2Å; V967-C969 VanDerWaalsContact C-N 3.31Å; V967-C969 PolarHBondContact O-N 3.13Å; V967-L970 CarbonylContact O-C 3.58Å; V967-L970 WeakPolarHBondContact O-CA 3.39Å; V967-L970 WeakPolarHBondContact O-CB 3.3Å; V967-L970 PolarHBondContact O-N 3.14Å; V967-L970 VanDerWaalsContact O-N 3.08Å; V967-V971 WeakPolarHBondContact O-CG2 3.36Å; V967-V971 PolarHBondContact O-N 2.86Å; V967-L999 HydrophobicContact CG1-CB 4.34Å; V967-L999 HydrophobicContact CG1-CD1 3.68Å; V967-L999 HydrophobicContact CG1-CD2 3.67Å; V967-L999 HydrophobicContact CG1-CG 3.71Å; V967-L999 VanDerWaalsContact CG1-CG 3.41Å; V967-I1003 HydrophobicContact CB-CD1 4.17Å; V967-I1003 HydrophobicContact CB-CG1 4.2Å; V967-I1003 HydrophobicContact CG1-CD1 3.87Å; V967-I1003 HydrophobicContact CG1-CG1 3.98Å; V967-L1034 HydrophobicContact CB-CD1 4.44Å; V967-L1034 HydrophobicContact CB-CD2 4.43Å; V967-L1034 HydrophobicContact CG1-CD1 4.06Å; V967-L1034 HydrophobicContact CG2-CD1 4.4Å; V967-L1034 HydrophobicContact CG2-CD2 4.11Å; V967-L1034 HydrophobicContact CG2-CG 4.1Å; V967-A1038 HydrophobicContact CG1-CB 4.29Å; V967-A1038 HydrophobicContact CG2-CB 4.27Å |
| 968 | E | 88.6 | Confident | 85.6 | Confident | 109.5 Ų | 109.5 | 42.4 Ų | 42.4 | 51% | 0.512 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 171.8 | -125.7 | 176.4 | -172.6 | 0 | 0 | 111.9 | A964 S965 L970 V971 A972 I1003 | A964-E968 WeakPolarHBondContact O-CB 3.39Å; A964-E968 WeakPolarHBondContact O-CG 3.41Å; A964-E968 PolarHBondContact O-N 3.29Å; S965-E968 PolarHBondContact O-N 3.08Å; E968-L970 VanDerWaalsContact C-N 3.32Å; E968-L970 PolarHBondContact O-N 3.4Å; E968-V971 WeakPolarHBondContact O-CB 3.36Å; E968-V971 PolarHBondContact O-N 3.12Å; E968-A972 PolarHBondContact O-N 2.92Å; E968-I1003 HydrophobicContact CB-CD1 4.32Å; E968-I1003 HydrophobicContact CG-CD1 3.9Å; E968-I1003 HydrophobicContact CG-CG2 4.28Å |
| 969 | C | 87.4 | Confident | 85 | Confident | 54 Ų | 54 | 42.1 Ų | 42.1 | 37% | 0.365 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.4 | -42 | 171.2 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | V935 S965 A966 V967 V971 A972 D973 | V935-C969 HydrophobicContact CG1-CB 3.78Å; V935-C969 HydrophobicContact CG2-CB 3.99Å; S965-C969 PolarHBondContact O-N 3.08Å; S965-C969 VanDerWaalsContact O-N 3.16Å; S965-C969 PolarHBondContact O-SG 3.18Å; S965-C969 VanDerWaalsContact O-SG 3.36Å; A966-C969 WeakPolarHBondContact O-CB 3.38Å; A966-C969 PolarHBondContact O-N 3.15Å; V967-C969 VanDerWaalsContact C-N 3.31Å; V967-C969 PolarHBondContact O-N 3.13Å; C969-V971 VanDerWaalsContact C-N 3.34Å; C969-V971 PolarHBondContact O-N 3.14Å; C969-A972 WeakPolarHBondContact O-CB 3.43Å; C969-A972 PolarHBondContact O-N 3.11Å; C969-D973 VanDerWaalsContact O-CG 3.25Å; C969-D973 PolarHBondContact O-N 2.97Å |
| 970 | L | 85.3 | Confident | 84.2 | Confident | 0.25 Ų | 0.25 | 44 Ų | 44 | 0% | 0.001 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -34.5 | 175.2 | -66.6 | 173.1 | 0 | 0 | 0 | 112.7 | V935 L939 A966 V967 E968 D973 L974 L999 A1042 I1045 I1046 | V935-L970 HydrophobicContact CG1-CD2 4.14Å; V935-L970 HydrophobicContact CG1-CG 3.95Å; L939-L970 HydrophobicContact CD1-CD1 3.53Å; L939-L970 HydrophobicContact CD2-CD1 4.04Å; A966-L970 PolarHBondContact O-N 3.17Å; V967-L970 CarbonylContact O-C 3.58Å; V967-L970 WeakPolarHBondContact O-CA 3.39Å; V967-L970 WeakPolarHBondContact O-CB 3.3Å; V967-L970 PolarHBondContact O-N 3.14Å; V967-L970 VanDerWaalsContact O-N 3.08Å; E968-L970 VanDerWaalsContact C-N 3.32Å; E968-L970 PolarHBondContact O-N 3.4Å; L970-D973 PolarHBondContact O-N 3.06Å; L970-L974 WeakPolarHBondContact O-CB 3.39Å; L970-L974 VanDerWaalsContact O-CG 3.31Å; L970-L974 WeakPolarHBondContact O-CG 3.3Å; L970-L974 PolarHBondContact O-N 3.16Å; L970-L999 HydrophobicContact CB-CD2 4.44Å; L970-A1042 HydrophobicContact CD1-CB 4.46Å; L970-I1045 HydrophobicContact CD2-CG2 4.46Å; L970-I1046 HydrophobicContact CD1-CD1 4.27Å; L970-I1046 HydrophobicContact CD1-CG1 4.39Å; L970-I1046 HydrophobicContact CD2-CG1 4.42Å |
| 971 | V | 86.7 | Confident | 82.5 | Confident | 6.25 Ų | 6.25 | 53.3 Ų | 53.3 | 4% | 0.038 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 172.1 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | V967 E968 C969 D973 L974 R975 A996 L999 E1000 I1003 | V967-V971 WeakPolarHBondContact O-CG2 3.36Å; V967-V971 PolarHBondContact O-N 2.86Å; E968-V971 WeakPolarHBondContact O-CB 3.36Å; E968-V971 PolarHBondContact O-N 3.12Å; C969-V971 VanDerWaalsContact C-N 3.34Å; C969-V971 PolarHBondContact O-N 3.14Å; V971-D973 VanDerWaalsContact C-N 3.3Å; V971-D973 PolarHBondContact O-N 2.89Å; V971-L974 PolarHBondContact O-N 3.22Å; V971-R975 WeakPolarHBondContact O-CB 3.28Å; V971-R975 WeakPolarHBondContact O-CG 3.35Å; V971-R975 PolarHBondContact O-N 3.23Å; V971-A996 HydrophobicContact CG1-CB 4.29Å; V971-L999 HydrophobicContact CG2-CB 3.73Å; V971-L999 VanDerWaalsContact CG2-CB 3.48Å; V971-L999 HydrophobicContact CG2-CD1 4.06Å; V971-L999 HydrophobicContact CG2-CD2 3.55Å; V971-L999 HydrophobicContact CG2-CG 4.06Å; V971-E1000 HydrophobicContact CG1-CG 3.81Å; V971-E1000 HydrophobicContact CG2-CG 4.38Å; V971-I1003 HydrophobicContact CG2-CD1 3.91Å |
| 972 | A | 87.2 | Confident | 80.9 | Confident | 56.5 Ų | 56.5 | 56.7 Ų | 56.7 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E968 C969 R975 S976 | E968-A972 PolarHBondContact O-N 2.92Å; C969-A972 WeakPolarHBondContact O-CB 3.43Å; C969-A972 PolarHBondContact O-N 3.11Å; A972-R975 PolarHBondContact O-N 3.15Å; A972-S976 WeakPolarHBondContact O-CB 3.41Å; A972-S976 PolarHBondContact O-N 3.3Å |
| 973 | D | 83.1 | Confident | 79.3 | Confident | 39.5 Ų | 39.5 | 55.9 Ų | 55.9 | 21% | 0.211 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 175.1 | -72.2 | -42.9 | 0 | 0 | 0 | 112.1 | C969 L970 V971 R975 S976 E977 I1045 R1049 | C969-D973 VanDerWaalsContact O-CG 3.25Å; C969-D973 PolarHBondContact O-N 2.97Å; L970-D973 PolarHBondContact O-N 3.06Å; V971-D973 VanDerWaalsContact C-N 3.3Å; V971-D973 PolarHBondContact O-N 2.89Å; D973-R975 VanDerWaalsContact C-N 3.29Å; D973-R975 PolarHBondContact O-N 3.09Å; D973-S976 PolarHBondContact O-N 2.97Å; D973-S976 VanDerWaalsContact O-N 3.17Å; D973-S976 PolarHBondContact O-OG 3.11Å; D973-E977 WeakPolarHBondContact O-CB 3.32Å; D973-E977 PolarHBondContact O-N 3.13Å; D973-I1045 HydrophobicContact CB-CD1 4.14Å; D973-R1049 IonicContact OD1-CZ 3.33Å; D973-R1049 IonicContact OD1-NH1 2.68Å; D973-R1049 IonicContact OD1-NH2 3.21Å; D973-R1049 PolarHBondContact OD1-NH2 3.15Å; D973-R1049 VanDerWaalsContact OD1-NH2 3.07Å; D973-R1049 IonicContact OD2-CZ 3.22Å; D973-R1049 VanDerWaalsContact OD2-CZ 3.25Å; D973-R1049 IonicContact OD2-NH1 3.17Å; D973-R1049 PolarHBondContact OD2-NH1 3.02Å; D973-R1049 IonicContact OD2-NH2 3.38Å; D973-R1049 PolarHBondContact OD2-NH2 3.17Å |
| 974 | L | 83.1 | Confident | 77.9 | Confident | 5.25 Ų | 5.25 | 59.4 Ų | 59.4 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 174.2 | -75.4 | 167.1 | 0 | 0 | 0 | 111.2 | L970 V971 E977 A978 I992 R995 A996 L999 A1042 I1045 | L970-L974 WeakPolarHBondContact O-CB 3.39Å; L970-L974 VanDerWaalsContact O-CG 3.31Å; L970-L974 WeakPolarHBondContact O-CG 3.3Å; L970-L974 PolarHBondContact O-N 3.16Å; V971-L974 PolarHBondContact O-N 3.22Å; L974-E977 PolarHBondContact O-N 2.99Å; L974-A978 WeakPolarHBondContact O-CB 3.32Å; L974-A978 PolarHBondContact O-N 3.23Å; L974-I992 HydrophobicContact CB-CG2 4.08Å; L974-I992 HydrophobicContact CD2-CG2 3.85Å; L974-I992 WeakPolarHBondContact O-CG2 3.45Å; L974-R995 HydrophobicContact CD1-CB 4.42Å; L974-A996 HydrophobicContact CB-CB 4.14Å; L974-A996 HydrophobicContact CD1-CB 4.38Å; L974-L999 HydrophobicContact CD1-CD1 3.61Å; L974-L999 HydrophobicContact CD1-CD2 4.1Å; L974-A1042 HydrophobicContact CD1-CB 4.25Å; L974-I1045 HydrophobicContact CB-CD1 4.36Å; L974-I1045 HydrophobicContact CD2-CD1 3.51Å; L974-I1045 VanDerWaalsContact CD2-CD1 3.46Å; L974-I1045 HydrophobicContact CD2-CG1 4.22Å; L974-I1045 HydrophobicContact CG-CD1 3.75Å |
| 975 | R | 84.5 | Confident | 76.5 | Confident | 99.75 Ų | 99.75 | 60.2 Ų | 60.2 | 38% | 0.376 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 176.9 | -75.7 | 179.7 | 170.5 | 154 | 1.6 | 112.4 | V971 A972 D973 E977 A978 M979 A996 D997 E1000 | V971-R975 WeakPolarHBondContact O-CB 3.28Å; V971-R975 WeakPolarHBondContact O-CG 3.35Å; V971-R975 PolarHBondContact O-N 3.23Å; A972-R975 PolarHBondContact O-N 3.15Å; D973-R975 VanDerWaalsContact C-N 3.29Å; D973-R975 PolarHBondContact O-N 3.09Å; R975-E977 VanDerWaalsContact C-N 3.27Å; R975-E977 PolarHBondContact O-N 3.22Å; R975-A978 PolarHBondContact O-N 3.17Å; R975-M979 WeakPolarHBondContact O-CG 3.27Å; R975-M979 PolarHBondContact O-N 3.2Å; R975-A996 HydrophobicContact CG-CB 4.23Å; R975-D997 IonicContact NH2-OD1 2.74Å; R975-E1000 IonicContact CZ-OE1 3.69Å; R975-E1000 IonicContact CZ-OE2 3.38Å; R975-E1000 IonicContact NH1-OE1 2.68Å; R975-E1000 PolarHBondContact NH1-OE1 3.01Å; R975-E1000 IonicContact NH1-OE2 2.97Å; R975-E1000 IonicContact NH2-OE1 3.42Å; R975-E1000 PolarHBondContact NH2-OE1 2.85Å; R975-E1000 VanDerWaalsContact NH2-OE1 3.11Å; R975-E1000 IonicContact NH2-OE2 3.34Å; R975-E1000 PolarHBondContact NH2-OE2 3.15Å |
| 976 | S | 81.6 | Confident | 75.1 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 176 | 132.3 | 0 | 0 | 0 | 0 | 111.5 | A972 D973 M979 K980 | A972-S976 WeakPolarHBondContact O-CB 3.41Å; A972-S976 PolarHBondContact O-N 3.3Å; D973-S976 PolarHBondContact O-N 2.97Å; D973-S976 VanDerWaalsContact O-N 3.17Å; D973-S976 PolarHBondContact O-OG 3.11Å; S976-M979 WeakPolarHBondContact O-CB 3.5Å; S976-M979 PolarHBondContact O-N 3.23Å; S976-K980 PolarHBondContact O-N 3.26Å |
| 977 | E | 77 | Confident | 74.2 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.4 | -35.6 | 178.1 | -162.5 | 66.3 | -156.6 | 0 | 0 | 112.1 | D973 L974 R975 M979 K980 T984 L985 I992 | D973-E977 WeakPolarHBondContact O-CB 3.32Å; D973-E977 PolarHBondContact O-N 3.13Å; L974-E977 PolarHBondContact O-N 2.99Å; R975-E977 VanDerWaalsContact C-N 3.27Å; R975-E977 PolarHBondContact O-N 3.22Å; E977-M979 PolarHBondContact O-N 3.13Å; E977-M979 VanDerWaalsContact O-N 3.16Å; E977-K980 WeakPolarHBondContact O-CB 3.42Å; E977-K980 PolarHBondContact O-N 3.34Å; E977-K980 VanDerWaalsContact O-N 3.12Å; E977-K980 WeakPolarHBondContact OE1-CD 3.42Å; E977-K980 IonicContact OE1-NZ 3.23Å; E977-K980 WeakPolarHBondContact OE2-CD 3.34Å; E977-K980 WeakPolarHBondContact OE2-CE 3.33Å; E977-K980 IonicContact OE2-NZ 3.23Å; E977-K980 PolarHBondContact OE2-NZ 3.2Å; E977-T984 WeakPolarHBondContact OE1-CB 3.37Å; E977-T984 WeakPolarHBondContact OE1-CG2 3.34Å; E977-T984 PolarHBondContact OE1-N 3.05Å; E977-T984 PolarHBondContact OE1-OG1 2.97Å; E977-L985 HydrophobicContact CB-CD1 4.45Å; E977-L985 VanDerWaalsContact CD-CD1 3.44Å; E977-L985 HydrophobicContact CG-CD1 3.36Å; E977-L985 HydrophobicContact CG-CG 4.23Å; E977-L985 WeakPolarHBondContact OE1-CD1 3Å; E977-I992 HydrophobicContact CG-CD1 4.32Å |
| 978 | A | 74.7 | Confident | 73.5 | Confident | 25.25 Ų | 25.25 | 65.4 Ų | 65.4 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.8 | -22.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L974 R975 I992 | L974-A978 WeakPolarHBondContact O-CB 3.32Å; L974-A978 PolarHBondContact O-N 3.23Å; R975-A978 PolarHBondContact O-N 3.17Å; A978-I992 HydrophobicContact CB-CB 4.09Å; A978-I992 HydrophobicContact CB-CG2 3.93Å |
| 979 | M | 74.5 | Confident | 72.7 | Confident | 161 Ų | 161 | 62.9 Ų | 62.9 | 79% | 0.793 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -17.9 | 175.4 | -69 | -179 | 179.6 | 0 | 0 | 113.7 | R975 S976 E977 Q981 | R975-M979 WeakPolarHBondContact O-CG 3.27Å; R975-M979 PolarHBondContact O-N 3.2Å; S976-M979 WeakPolarHBondContact O-CB 3.5Å; S976-M979 PolarHBondContact O-N 3.23Å; E977-M979 PolarHBondContact O-N 3.13Å; E977-M979 VanDerWaalsContact O-N 3.16Å; M979-Q981 PolarHBondContact O-N 2.9Å |
| 980 | K | 70.1 | Confident | 72.1 | Confident | 97.5 Ų | 97.5 | 65.3 Ų | 65.3 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -74.9 | 129 | 177.8 | -64.4 | 176.2 | -169.8 | 165.3 | 0 | 109.3 | S976 E977 D982 | S976-K980 PolarHBondContact O-N 3.26Å; E977-K980 WeakPolarHBondContact O-CB 3.42Å; E977-K980 PolarHBondContact O-N 3.34Å; E977-K980 VanDerWaalsContact O-N 3.12Å; E977-K980 WeakPolarHBondContact OE1-CD 3.42Å; E977-K980 IonicContact OE1-NZ 3.23Å; E977-K980 WeakPolarHBondContact OE2-CD 3.34Å; E977-K980 WeakPolarHBondContact OE2-CE 3.33Å; E977-K980 IonicContact OE2-NZ 3.23Å; E977-K980 PolarHBondContact OE2-NZ 3.2Å; K980-D982 VanDerWaalsContact C-N 3.31Å; K980-D982 PolarHBondContact O-N 3.17Å |
| 981 | Q | 52.3 | Low | 71.8 | Confident | 195.5 Ų | 195.5 | 67.8 Ų | 67.8 | 91% | 0.914 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -63.8 | -35.5 | -177.6 | -70.8 | -171.1 | -10.6 | 0 | 0 | 112.1 | M979 | M979-Q981 PolarHBondContact O-N 2.9Š|
| 982 | D | 54.6 | Low | 71.4 | Confident | 144.75 Ų | 144.75 | 67.6 Ų | 67.6 | 77% | 0.774 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -106.9 | 102.4 | 168.1 | -64.6 | -42.6 | 0 | 0 | 0 | 108.7 | K980 T984 | K980-D982 VanDerWaalsContact C-N 3.31Å; K980-D982 PolarHBondContact O-N 3.17Å; D982-T984 PolarHBondContact O-N 3.14Å |
| 983 | S | 54.9 | Low | 71.1 | Confident | 31.5 Ų | 31.5 | 66.8 Ų | 66.8 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | trans | -70.5 | 124.2 | 176.2 | 69.1 | 0 | 0 | 0 | 0 | 109.3 | L985 G986 I987 | S983-L985 PolarHBondContact O-N 3.29Å; S983-L985 VanDerWaalsContact O-N 3.1Å; S983-G986 PolarHBondContact O-N 3.2Å; S983-I987 PolarHBondContact OG-N 3.17Å; S983-I987 PolarHBondContact OG-O 3.28Å; S983-I987 VanDerWaalsContact OG-O 3.05Å | ||
| 984 | T | 58.2 | Low | 71.1 | Confident | 72.75 Ų | 72.75 | 69.7 Ų | 69.7 | 45% | 0.446 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18 | -178.8 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | E977 D982 Y1113 | E977-T984 WeakPolarHBondContact OE1-CB 3.37Å; E977-T984 WeakPolarHBondContact OE1-CG2 3.34Å; E977-T984 PolarHBondContact OE1-N 3.05Å; E977-T984 PolarHBondContact OE1-OG1 2.97Å; D982-T984 PolarHBondContact O-N 3.14Å; T984-Y1113 VanDerWaalsContact CB-OH 3.27Å; T984-Y1113 WeakPolarHBondContact CB-OH 3.39Å; T984-Y1113 WeakPolarHBondContact O-CD2 3.35Å; T984-Y1113 WeakPolarHBondContact O-CE2 3.28Å; T984-Y1113 VanDerWaalsContact O-CZ 3.25Å; T984-Y1113 PolarHBondContact O-OH 2.93Å; T984-Y1113 PolarHBondContact OG1-OH 3.11Å; T984-Y1113 VanDerWaalsContact OG1-OH 3.09Å |
| 985 | L | 59.5 | Low | 71.1 | Confident | 19.75 Ų | 19.75 | 70.5 Ų | 70.5 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0.3 | -173.9 | -60.5 | 125.2 | 0 | 0 | 0 | 114.7 | E977 S983 I987 P1044 I1045 Y1113 | E977-L985 HydrophobicContact CB-CD1 4.45Å; E977-L985 VanDerWaalsContact CD-CD1 3.44Å; E977-L985 HydrophobicContact CG-CD1 3.36Å; E977-L985 HydrophobicContact CG-CG 4.23Å; E977-L985 WeakPolarHBondContact OE1-CD1 3Å; S983-L985 PolarHBondContact O-N 3.29Å; S983-L985 VanDerWaalsContact O-N 3.1Å; L985-I987 VanDerWaalsContact C-N 3.3Å; L985-I987 HydrophobicContact CB-CD1 4.35Å; L985-I987 PolarHBondContact O-N 3.1Å; L985-I987 VanDerWaalsContact O-N 3.16Å; L985-P1044 HydrophobicContact CB-CB 4.34Å; L985-P1044 HydrophobicContact CD1-CB 4.15Å; L985-P1044 HydrophobicContact CD2-CB 3.48Å; L985-P1044 VanDerWaalsContact CD2-CB 3.43Å; L985-P1044 VanDerWaalsContact CD2-O 3.29Å; L985-P1044 WeakPolarHBondContact CD2-O 3.34Å; L985-P1044 HydrophobicContact CG-CB 4.42Å; L985-I1045 HydrophobicContact CD1-CD1 4.36Å; L985-I1045 HydrophobicContact CD1-CG1 4.14Å; L985-I1045 HydrophobicContact CD2-CB 4.4Å; L985-I1045 HydrophobicContact CD2-CG1 3.85Å; L985-Y1113 HydrophobicContact CB-CD1 4.29Å; L985-Y1113 HydrophobicContact CB-CE1 4Å; L985-Y1113 HydrophobicContact CD2-CD1 3.89Å; L985-Y1113 HydrophobicContact CD2-CE1 3.39Å; L985-Y1113 VanDerWaalsContact CD2-CE1 3.47Å; L985-Y1113 HydrophobicContact CG-CD1 4.06Å; L985-Y1113 HydrophobicContact CG-CE1 3.37Å; L985-Y1113 VanDerWaalsContact CG-CE1 3.43Å |
| 986 | G | 59.9 | Low | 71.1 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 73% | 0.732 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 67.9 | 18.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S983 | S983-G986 PolarHBondContact O-N 3.2Š|
| 987 | I | 68.4 | Low | 71.4 | Confident | 25.75 Ų | 25.75 | 66.6 Ų | 66.6 | 13% | 0.132 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -111.6 | 136 | -178.1 | -63.5 | 165 | 0 | 0 | 0 | 108.7 | S983 L985 S989 E991 I992 P1044 | S983-I987 PolarHBondContact OG-N 3.17Å; S983-I987 PolarHBondContact OG-O 3.28Å; S983-I987 VanDerWaalsContact OG-O 3.05Å; L985-I987 VanDerWaalsContact C-N 3.3Å; L985-I987 HydrophobicContact CB-CD1 4.35Å; L985-I987 PolarHBondContact O-N 3.1Å; L985-I987 VanDerWaalsContact O-N 3.16Å; I987-S989 PolarHBondContact O-N 3.38Å; I987-E991 HydrophobicContact CG2-CB 3.83Å; I987-E991 HydrophobicContact CG2-CG 3.98Å; I987-I992 HydrophobicContact CB-CD1 4.34Å; I987-I992 HydrophobicContact CB-CG1 4.11Å; I987-I992 HydrophobicContact CG2-CD1 4.42Å; I987-I992 HydrophobicContact CG2-CG1 3.74Å; I987-P1044 HydrophobicContact CD1-CB 3.73Å; I987-P1044 HydrophobicContact CD1-CG 3.32Å; I987-P1044 VanDerWaalsContact CD1-CG 3.43Å |
| 988 | P | 71.4 | Confident | 71.9 | Confident | 83.75 Ų | 83.75 | 67.6 Ų | 67.6 | 54% | 0.544 | 38% | 0.38 | S | S | . | . | trans | -62.2 | 136.8 | 178.6 | 24.8 | -33.4 | 0 | 0 | 0 | 111.3 | N990 E991 I992 | P988-N990 PolarHBondContact O-N 3.25Å; P988-N990 VanDerWaalsContact O-N 3.08Å; P988-E991 HydrophobicContact CG-CB 3.98Å; P988-E991 WeakPolarHBondContact O-CA 3.39Å; P988-E991 WeakPolarHBondContact O-CB 3.35Å; P988-E991 PolarHBondContact O-N 3.06Å; P988-I992 PolarHBondContact O-N 3.1Å | ||
| 989 | S | 72.8 | Confident | 72.4 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -54.8 | -30.7 | -174 | 5.6 | 0 | 0 | 0 | 0 | 114.4 | I987 E991 I992 A993 | I987-S989 PolarHBondContact O-N 3.38Å; S989-E991 VanDerWaalsContact C-N 3.34Å; S989-E991 PolarHBondContact O-N 2.84Å; S989-I992 PolarHBondContact O-N 3.06Å; S989-A993 PolarHBondContact O-N 3.18Å; S989-A993 VanDerWaalsContact O-N 3.07Å |
| 990 | N | 74.7 | Confident | 73.1 | Confident | 104.25 Ų | 104.25 | 61.3 Ų | 61.3 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.8 | -37.9 | 174.4 | -173 | -10 | 0 | 0 | 0 | 112.5 | P988 A993 K994 | P988-N990 PolarHBondContact O-N 3.25Å; P988-N990 VanDerWaalsContact O-N 3.08Å; N990-A993 PolarHBondContact O-N 3.07Å; N990-K994 WeakPolarHBondContact O-CD 3.28Å; N990-K994 WeakPolarHBondContact O-CG 3.34Å; N990-K994 PolarHBondContact O-N 3.31Å; N990-K994 VanDerWaalsContact O-N 3.08Å; N990-K994 VanDerWaalsContact OD1-CE 3.32Å; N990-K994 WeakPolarHBondContact OD1-CE 3.32Å; N990-K994 PolarHBondContact OD1-NZ 2.86Å |
| 991 | E | 77.9 | Confident | 74 | Confident | 51.75 Ų | 51.75 | 63.7 Ų | 63.7 | 24% | 0.242 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.6 | -37.4 | 177.1 | -172.6 | 168.1 | 157 | 0 | 0 | 111.4 | I987 P988 S989 A993 K994 R995 M1191 | I987-E991 HydrophobicContact CG2-CB 3.83Å; I987-E991 HydrophobicContact CG2-CG 3.98Å; P988-E991 HydrophobicContact CG-CB 3.98Å; P988-E991 WeakPolarHBondContact O-CA 3.39Å; P988-E991 WeakPolarHBondContact O-CB 3.35Å; P988-E991 PolarHBondContact O-N 3.06Å; S989-E991 VanDerWaalsContact C-N 3.34Å; S989-E991 PolarHBondContact O-N 2.84Å; E991-A993 VanDerWaalsContact C-N 3.33Å; E991-A993 PolarHBondContact O-N 3.19Å; E991-K994 PolarHBondContact O-N 3.14Å; E991-R995 WeakPolarHBondContact O-CD 3.41Å; E991-R995 VanDerWaalsContact O-CG 3.28Å; E991-R995 WeakPolarHBondContact O-CG 3.3Å; E991-R995 PolarHBondContact O-N 3.27Å; E991-R995 IonicContact OE1-CZ 3.54Å; E991-R995 IonicContact OE1-NE 3.37Å; E991-R995 PolarHBondContact OE1-NE 3.04Å; E991-R995 IonicContact OE1-NH2 3.2Å; E991-R995 PolarHBondContact OE1-NH2 3.38Å; E991-M1191 HydrophobicContact CG-CE 4.31Å; E991-M1191 HydrophobicContact CG-SD 4.41Å; E991-M1191 WeakPolarHBondContact OE1-CE 3.38Å; E991-M1191 WeakPolarHBondContact OE2-CE 3.21Å |
| 992 | I | 78.7 | Confident | 75.7 | Confident | 3.75 Ų | 3.75 | 56.3 Ų | 56.3 | 2% | 0.019 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.1 | -54.4 | 179.2 | 0 | 0 | 0 | 110.6 | L974 E977 A978 I987 P988 S989 R995 A996 | L974-I992 HydrophobicContact CB-CG2 4.08Å; L974-I992 HydrophobicContact CD2-CG2 3.85Å; L974-I992 WeakPolarHBondContact O-CG2 3.45Å; E977-I992 HydrophobicContact CG-CD1 4.32Å; A978-I992 HydrophobicContact CB-CB 4.09Å; A978-I992 HydrophobicContact CB-CG2 3.93Å; I987-I992 HydrophobicContact CB-CD1 4.34Å; I987-I992 HydrophobicContact CB-CG1 4.11Å; I987-I992 HydrophobicContact CG2-CD1 4.42Å; I987-I992 HydrophobicContact CG2-CG1 3.74Å; P988-I992 PolarHBondContact O-N 3.1Å; S989-I992 PolarHBondContact O-N 3.06Å; I992-R995 WeakPolarHBondContact O-CB 3.29Å; I992-R995 PolarHBondContact O-N 3.13Å; I992-A996 PolarHBondContact O-N 2.83Å; I992-A996 VanDerWaalsContact O-N 3.11Å |
| 993 | A | 81.8 | Confident | 77.3 | Confident | 38.75 Ų | 38.75 | 49.8 Ų | 49.8 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S989 N990 E991 R995 A996 D997 | S989-A993 PolarHBondContact O-N 3.18Å; S989-A993 VanDerWaalsContact O-N 3.07Å; N990-A993 PolarHBondContact O-N 3.07Å; E991-A993 VanDerWaalsContact C-N 3.33Å; E991-A993 PolarHBondContact O-N 3.19Å; A993-R995 VanDerWaalsContact C-N 3.32Å; A993-R995 PolarHBondContact O-N 3.26Å; A993-A996 WeakPolarHBondContact O-CB 3.3Å; A993-A996 PolarHBondContact O-N 3Å; A993-A996 VanDerWaalsContact O-N 3.16Å; A993-D997 VanDerWaalsContact O-CG 3.31Å; A993-D997 PolarHBondContact O-N 3.08Å; A993-D997 VanDerWaalsContact O-N 3.08Å |
| 994 | K | 81.9 | Confident | 79 | Confident | 101.5 Ų | 101.5 | 55.6 Ų | 55.6 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 176.4 | -73.1 | 173.2 | -178.8 | 173.2 | 0 | 113 | N990 E991 A996 D997 V998 M1191 | N990-K994 WeakPolarHBondContact O-CD 3.28Å; N990-K994 WeakPolarHBondContact O-CG 3.34Å; N990-K994 PolarHBondContact O-N 3.31Å; N990-K994 VanDerWaalsContact O-N 3.08Å; N990-K994 VanDerWaalsContact OD1-CE 3.32Å; N990-K994 WeakPolarHBondContact OD1-CE 3.32Å; N990-K994 PolarHBondContact OD1-NZ 2.86Å; E991-K994 PolarHBondContact O-N 3.14Å; K994-A996 VanDerWaalsContact C-N 3.32Å; K994-D997 PolarHBondContact O-N 3.2Å; K994-V998 WeakPolarHBondContact O-CG2 3.28Å; K994-V998 PolarHBondContact O-N 3.16Å; K994-V998 VanDerWaalsContact O-N 3.12Å; K994-M1191 HydrophobicContact CB-CE 4.2Å; K994-M1191 HydrophobicContact CD-CE 3.99Å |
| 995 | R | 83.5 | Confident | 80.6 | Confident | 21.75 Ų | 21.75 | 56.5 Ų | 56.5 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 174.7 | -73.4 | 163.4 | 179.1 | -121.8 | 12.8 | 111 | L974 E991 I992 A993 V998 L999 T1041 P1044 L1187 | L974-R995 HydrophobicContact CD1-CB 4.42Å; E991-R995 WeakPolarHBondContact O-CD 3.41Å; E991-R995 VanDerWaalsContact O-CG 3.28Å; E991-R995 WeakPolarHBondContact O-CG 3.3Å; E991-R995 PolarHBondContact O-N 3.27Å; E991-R995 IonicContact OE1-CZ 3.54Å; E991-R995 IonicContact OE1-NE 3.37Å; E991-R995 PolarHBondContact OE1-NE 3.04Å; E991-R995 IonicContact OE1-NH2 3.2Å; E991-R995 PolarHBondContact OE1-NH2 3.38Å; I992-R995 WeakPolarHBondContact O-CB 3.29Å; I992-R995 PolarHBondContact O-N 3.13Å; A993-R995 VanDerWaalsContact C-N 3.32Å; A993-R995 PolarHBondContact O-N 3.26Å; R995-V998 PolarHBondContact O-N 3.37Å; R995-L999 WeakPolarHBondContact O-CB 3.42Å; R995-L999 PolarHBondContact O-N 3.09Å; R995-L999 VanDerWaalsContact O-N 3.13Å; R995-T1041 WeakPolarHBondContact CD-O 3.4Å; R995-T1041 PolarHBondContact NH1-O 3.29Å; R995-T1041 VanDerWaalsContact NH1-O 3.11Å; R995-P1044 VanDerWaalsContact NH1-CD 3.3Å; R995-L1187 HydrophobicContact CG-CD2 4.24Å |
| 996 | A | 85.2 | Confident | 82.1 | Confident | 0.25 Ų | 0.25 | 55.5 Ų | 55.5 | 0% | 0.002 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V971 L974 R975 I992 A993 K994 V998 L999 E1000 | V971-A996 HydrophobicContact CG1-CB 4.29Å; L974-A996 HydrophobicContact CB-CB 4.14Å; L974-A996 HydrophobicContact CD1-CB 4.38Å; R975-A996 HydrophobicContact CG-CB 4.23Å; I992-A996 PolarHBondContact O-N 2.83Å; I992-A996 VanDerWaalsContact O-N 3.11Å; A993-A996 WeakPolarHBondContact O-CB 3.3Å; A993-A996 PolarHBondContact O-N 3Å; A993-A996 VanDerWaalsContact O-N 3.16Å; K994-A996 VanDerWaalsContact C-N 3.32Å; A996-V998 VanDerWaalsContact C-N 3.34Å; A996-V998 PolarHBondContact O-N 3.3Å; A996-L999 PolarHBondContact O-N 3.08Å; A996-E1000 WeakPolarHBondContact O-CB 3.26Å; A996-E1000 PolarHBondContact O-N 2.95Å |
| 997 | D | 86.8 | Confident | 83.5 | Confident | 74.5 Ų | 74.5 | 54.5 Ų | 54.5 | 40% | 0.398 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.9 | -32.6 | 178.9 | -66.1 | -16.5 | 0 | 0 | 0 | 113.3 | R975 A993 K994 K1001 | R975-D997 IonicContact NH2-OD1 2.74Å; A993-D997 VanDerWaalsContact O-CG 3.31Å; A993-D997 PolarHBondContact O-N 3.08Å; A993-D997 VanDerWaalsContact O-N 3.08Å; K994-D997 PolarHBondContact O-N 3.2Å; D997-K1001 WeakPolarHBondContact O-CG 3.28Å; D997-K1001 PolarHBondContact O-N 3.15Å; D997-K1001 PolarHBondContact O-NZ 2.88Å |
| 998 | V | 87.3 | Confident | 84.5 | Confident | 37.5 Ų | 37.5 | 56 Ų | 56 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.5 | -44 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | K994 R995 A996 E1000 K1001 E1002 T1041 L1190 | K994-V998 WeakPolarHBondContact O-CG2 3.28Å; K994-V998 PolarHBondContact O-N 3.16Å; K994-V998 VanDerWaalsContact O-N 3.12Å; R995-V998 PolarHBondContact O-N 3.37Å; A996-V998 VanDerWaalsContact C-N 3.34Å; A996-V998 PolarHBondContact O-N 3.3Å; V998-E1000 PolarHBondContact O-N 3.27Å; V998-K1001 PolarHBondContact O-N 3.26Å; V998-E1002 PolarHBondContact O-N 3.1Å; V998-T1041 HydrophobicContact CB-CG2 4.32Å; V998-T1041 HydrophobicContact CG1-CG2 4.09Å; V998-L1190 HydrophobicContact CG1-CD2 3.77Å; V998-L1190 HydrophobicContact CG1-CG 4.25Å |
| 999 | L | 86.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 178.9 | -123.2 | 114.2 | 0 | 0 | 0 | 112.4 | V967 L970 V971 L974 R995 A996 K1001 E1002 I1003 L1034 A1038 T1041 A1042 | V967-L999 HydrophobicContact CG1-CB 4.34Å; V967-L999 HydrophobicContact CG1-CD1 3.68Å; V967-L999 HydrophobicContact CG1-CD2 3.67Å; V967-L999 HydrophobicContact CG1-CG 3.71Å; V967-L999 VanDerWaalsContact CG1-CG 3.41Å; L970-L999 HydrophobicContact CB-CD2 4.44Å; V971-L999 HydrophobicContact CG2-CB 3.73Å; V971-L999 VanDerWaalsContact CG2-CB 3.48Å; V971-L999 HydrophobicContact CG2-CD1 4.06Å; V971-L999 HydrophobicContact CG2-CD2 3.55Å; V971-L999 HydrophobicContact CG2-CG 4.06Å; L974-L999 HydrophobicContact CD1-CD1 3.61Å; L974-L999 HydrophobicContact CD1-CD2 4.1Å; R995-L999 WeakPolarHBondContact O-CB 3.42Å; R995-L999 PolarHBondContact O-N 3.09Å; R995-L999 VanDerWaalsContact O-N 3.13Å; A996-L999 PolarHBondContact O-N 3.08Å; L999-K1001 VanDerWaalsContact C-N 3.31Å; L999-K1001 PolarHBondContact O-N 3.11Å; L999-E1002 PolarHBondContact O-N 3.23Å; L999-I1003 WeakPolarHBondContact O-CG1 3.38Å; L999-I1003 PolarHBondContact O-N 3.3Å; L999-L1034 HydrophobicContact CD1-CD1 4.1Å; L999-A1038 HydrophobicContact CD1-CB 3.82Å; L999-A1038 VanDerWaalsContact CD2-CA 3.45Å; L999-A1038 HydrophobicContact CD2-CB 3.86Å; L999-T1041 VanDerWaalsContact CD1-OG1 3.29Å; L999-T1041 WeakPolarHBondContact CD1-OG1 3.37Å; L999-T1041 VanDerWaalsContact CD2-OG1 3.28Å; L999-T1041 WeakPolarHBondContact CD2-OG1 3.43Å; L999-T1041 HydrophobicContact CG-CG2 4.42Å; L999-T1041 WeakPolarHBondContact CG-OG1 3.41Å; L999-A1042 HydrophobicContact CD1-CB 4.4Å |
| 1000 | E | 88.6 | Confident | 86 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.5 | -157.4 | 175.2 | -164.5 | 0 | 0 | 112.3 | V971 R975 A996 V998 E1002 I1003 Y1004 | V971-E1000 HydrophobicContact CG1-CG 3.81Å; V971-E1000 HydrophobicContact CG2-CG 4.38Å; R975-E1000 IonicContact CZ-OE1 3.69Å; R975-E1000 IonicContact CZ-OE2 3.38Å; R975-E1000 IonicContact NH1-OE1 2.68Å; R975-E1000 PolarHBondContact NH1-OE1 3.01Å; R975-E1000 IonicContact NH1-OE2 2.97Å; R975-E1000 IonicContact NH2-OE1 3.42Å; R975-E1000 PolarHBondContact NH2-OE1 2.85Å; R975-E1000 VanDerWaalsContact NH2-OE1 3.11Å; R975-E1000 IonicContact NH2-OE2 3.34Å; R975-E1000 PolarHBondContact NH2-OE2 3.15Å; A996-E1000 WeakPolarHBondContact O-CB 3.26Å; A996-E1000 PolarHBondContact O-N 2.95Å; V998-E1000 PolarHBondContact O-N 3.27Å; E1000-E1002 VanDerWaalsContact C-N 3.3Å; E1000-E1002 PolarHBondContact O-N 3.29Å; E1000-I1003 WeakPolarHBondContact O-CB 3.44Å; E1000-I1003 PolarHBondContact O-N 3.25Å; E1000-Y1004 HydrophobicContact CB-CD2 4.5Å; E1000-Y1004 HydrophobicContact CB-CE2 4.24Å; E1000-Y1004 HydrophobicContact CG-CD2 4.02Å; E1000-Y1004 HydrophobicContact CG-CE2 3.58Å; E1000-Y1004 VanDerWaalsContact CG-CE2 3.48Å; E1000-Y1004 WeakPolarHBondContact O-CD2 3.44Å; E1000-Y1004 PolarHBondContact O-N 3.09Å; E1000-Y1004 VanDerWaalsContact O-N 3.11Å |
| 1001 | K | 88.6 | Confident | 86.6 | Confident | 147.4 Ų | 147.4 | 50.9 Ų | 50.9 | 64% | 0.641 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.7 | -40.5 | 175.5 | -72.4 | 172.5 | -174.4 | 158.8 | 0 | 112.4 | D997 V998 L999 Y1004 H1005 | D997-K1001 WeakPolarHBondContact O-CG 3.28Å; D997-K1001 PolarHBondContact O-N 3.15Å; D997-K1001 PolarHBondContact O-NZ 2.88Å; V998-K1001 PolarHBondContact O-N 3.26Å; L999-K1001 VanDerWaalsContact C-N 3.31Å; L999-K1001 PolarHBondContact O-N 3.11Å; K1001-Y1004 PolarHBondContact O-N 3.21Å; K1001-H1005 PolarHBondContact O-N 3.15Å; K1001-H1005 VanDerWaalsContact O-N 3.1Å |
| 1002 | E | 88.2 | Confident | 86.9 | Confident | 39.8 Ų | 39.8 | 53.3 Ų | 53.3 | 19% | 0.186 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.2 | -34.2 | 180 | -157.7 | 65.7 | -160.6 | 0 | 0 | 111.6 | V998 L999 E1000 Y1004 H1005 L1006 N1033 L1034 T1037 | V998-E1002 PolarHBondContact O-N 3.1Å; L999-E1002 PolarHBondContact O-N 3.23Å; E1000-E1002 VanDerWaalsContact C-N 3.3Å; E1000-E1002 PolarHBondContact O-N 3.29Å; E1002-Y1004 VanDerWaalsContact C-N 3.35Å; E1002-Y1004 PolarHBondContact O-N 3.02Å; E1002-H1005 WeakPolarHBondContact O-CB 3.36Å; E1002-H1005 PolarHBondContact O-N 2.95Å; E1002-H1005 IonicContact OE1-CD2 3.03Å; E1002-L1006 PolarHBondContact O-N 3.12Å; E1002-N1033 VanDerWaalsContact OE1-CB 3.27Å; E1002-N1033 WeakPolarHBondContact OE1-CB 3.39Å; E1002-L1034 HydrophobicContact CB-CD1 3.68Å; E1002-L1034 HydrophobicContact CG-CB 4.08Å; E1002-L1034 HydrophobicContact CG-CD1 3.78Å; E1002-L1034 HydrophobicContact CG-CG 4.44Å; E1002-T1037 HydrophobicContact CG-CG2 4.38Å |
| 1003 | I | 88.7 | Confident | 87.1 | Confident | 8.8 Ų | 8.8 | 53.1 Ų | 53.1 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 169.9 | -68.3 | 163.6 | 0 | 0 | 0 | 110.3 | A964 V967 E968 V971 L999 E1000 H1005 L1006 L1007 L1034 | A964-I1003 HydrophobicContact CB-CG2 4.17Å; V967-I1003 HydrophobicContact CB-CD1 4.17Å; V967-I1003 HydrophobicContact CB-CG1 4.2Å; V967-I1003 HydrophobicContact CG1-CD1 3.87Å; V967-I1003 HydrophobicContact CG1-CG1 3.98Å; E968-I1003 HydrophobicContact CB-CD1 4.32Å; E968-I1003 HydrophobicContact CG-CD1 3.9Å; E968-I1003 HydrophobicContact CG-CG2 4.28Å; V971-I1003 HydrophobicContact CG2-CD1 3.91Å; L999-I1003 WeakPolarHBondContact O-CG1 3.38Å; L999-I1003 PolarHBondContact O-N 3.3Å; E1000-I1003 WeakPolarHBondContact O-CB 3.44Å; E1000-I1003 PolarHBondContact O-N 3.25Å; I1003-H1005 VanDerWaalsContact C-N 3.28Å; I1003-H1005 PolarHBondContact O-N 2.93Å; I1003-L1006 PolarHBondContact O-N 3.23Å; I1003-L1007 HydrophobicContact CG2-CD1 3.86Å; I1003-L1007 HydrophobicContact CG2-CG 4.35Å; I1003-L1007 WeakPolarHBondContact O-CG 3.35Å; I1003-L1007 PolarHBondContact O-N 3.16Å; I1003-L1034 HydrophobicContact CG1-CD1 3.97Å; I1003-L1034 HydrophobicContact CG1-CD2 4.36Å |
| 1004 | Y | 90.9 | Very high | 87.2 | Confident | 153.6 Ų | 153.6 | 53.4 Ų | 53.4 | 60% | 0.602 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.3 | -37.1 | 177.4 | -77 | -63.8 | 0 | 0 | 0 | 112.4 | E1000 K1001 E1002 L1007 S1008 | E1000-Y1004 HydrophobicContact CB-CD2 4.5Å; E1000-Y1004 HydrophobicContact CB-CE2 4.24Å; E1000-Y1004 HydrophobicContact CG-CD2 4.02Å; E1000-Y1004 HydrophobicContact CG-CE2 3.58Å; E1000-Y1004 VanDerWaalsContact CG-CE2 3.48Å; E1000-Y1004 WeakPolarHBondContact O-CD2 3.44Å; E1000-Y1004 PolarHBondContact O-N 3.09Å; E1000-Y1004 VanDerWaalsContact O-N 3.11Å; K1001-Y1004 PolarHBondContact O-N 3.21Å; E1002-Y1004 VanDerWaalsContact C-N 3.35Å; E1002-Y1004 PolarHBondContact O-N 3.02Å; Y1004-L1007 PolarHBondContact O-N 2.8Å; Y1004-S1008 WeakPolarHBondContact O-CB 3.44Å; Y1004-S1008 PolarHBondContact O-N 3.21Å; Y1004-S1008 VanDerWaalsContact O-N 3.09Å |
| 1005 | H | 91.2 | Very high | 87.2 | Confident | 90.8 Ų | 90.8 | 54.6 Ų | 54.6 | 42% | 0.42 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 175.7 | -175.9 | 41 | 0 | 0 | 0 | 111.7 | K1001 E1002 I1003 L1007 S1008 V1009 | K1001-H1005 PolarHBondContact O-N 3.15Å; K1001-H1005 VanDerWaalsContact O-N 3.1Å; E1002-H1005 WeakPolarHBondContact O-CB 3.36Å; E1002-H1005 PolarHBondContact O-N 2.95Å; E1002-H1005 IonicContact OE1-CD2 3.03Å; I1003-H1005 VanDerWaalsContact C-N 3.28Å; I1003-H1005 PolarHBondContact O-N 2.93Å; H1005-L1007 VanDerWaalsContact C-N 3.33Å; H1005-L1007 PolarHBondContact O-N 3.11Å; H1005-S1008 PolarHBondContact O-N 3.11Å; H1005-V1009 WeakPolarHBondContact O-CG2 3.31Å; H1005-V1009 PolarHBondContact O-N 3.28Å; H1005-V1009 VanDerWaalsContact O-N 3.12Å |
| 1006 | L | 89.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 177.2 | 177.9 | 61.7 | 0 | 0 | 0 | 112 | A960 L963 A964 E1002 I1003 S1008 V1009 A1010 V1027 A1030 A1031 L1034 | A960-L1006 HydrophobicContact CB-CD1 4.09Å; A960-L1006 HydrophobicContact CB-CD2 4.31Å; A960-L1006 HydrophobicContact CB-CG 4.33Å; L963-L1006 HydrophobicContact CB-CD2 4.49Å; L963-L1006 HydrophobicContact CD2-CD2 3.99Å; L963-L1006 HydrophobicContact CG-CD2 4.45Å; A964-L1006 HydrophobicContact CB-CD2 4.44Å; E1002-L1006 PolarHBondContact O-N 3.12Å; I1003-L1006 PolarHBondContact O-N 3.23Å; L1006-S1008 VanDerWaalsContact C-N 3.32Å; L1006-S1008 PolarHBondContact O-N 3.12Å; L1006-V1009 PolarHBondContact O-N 3.14Å; L1006-A1010 VanDerWaalsContact O-CB 3.23Å; L1006-A1010 WeakPolarHBondContact O-CB 3.4Å; L1006-A1010 PolarHBondContact O-N 3.39Å; L1006-V1027 HydrophobicContact CD1-CG1 4.35Å; L1006-A1030 HydrophobicContact CD1-CB 3.94Å; L1006-A1031 HydrophobicContact CD1-CB 3.91Å; L1006-A1031 HydrophobicContact CD2-CB 4.37Å; L1006-L1034 HydrophobicContact CB-CD2 4.27Å; L1006-L1034 HydrophobicContact CD2-CB 4.49Å; L1006-L1034 HydrophobicContact CD2-CD2 3.41Å; L1006-L1034 VanDerWaalsContact CD2-CD2 3.43Å; L1006-L1034 HydrophobicContact CG-CD2 4.46Å |
| 1007 | L | 89.9 | Confident | 86.1 | Confident | 50.4 Ų | 50.4 | 60.1 Ų | 60.1 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | -179.9 | -70.8 | 174.1 | 0 | 0 | 0 | 112.1 | N961 A964 I1003 Y1004 H1005 A1010 Q1011 | N961-L1007 VanDerWaalsContact OD1-CD2 3.3Å; N961-L1007 WeakPolarHBondContact OD1-CD2 3.43Å; A964-L1007 HydrophobicContact CB-CD2 3.9Å; A964-L1007 HydrophobicContact CB-CG 4.22Å; I1003-L1007 HydrophobicContact CG2-CD1 3.86Å; I1003-L1007 HydrophobicContact CG2-CG 4.35Å; I1003-L1007 WeakPolarHBondContact O-CG 3.35Å; I1003-L1007 PolarHBondContact O-N 3.16Å; Y1004-L1007 PolarHBondContact O-N 2.8Å; H1005-L1007 VanDerWaalsContact C-N 3.33Å; H1005-L1007 PolarHBondContact O-N 3.11Å; L1007-A1010 PolarHBondContact O-N 2.86Å; L1007-Q1011 VanDerWaalsContact O-CB 3.28Å; L1007-Q1011 WeakPolarHBondContact O-CB 3.37Å; L1007-Q1011 VanDerWaalsContact O-CG 3.24Å; L1007-Q1011 WeakPolarHBondContact O-CG 3.36Å; L1007-Q1011 PolarHBondContact O-N 3.28Å |
| 1008 | S | 89.8 | Confident | 85.5 | Confident | 55.4 Ų | 55.4 | 57.6 Ų | 57.6 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 174.1 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | Y1004 H1005 L1006 A1010 Q1011 E1012 | Y1004-S1008 WeakPolarHBondContact O-CB 3.44Å; Y1004-S1008 PolarHBondContact O-N 3.21Å; Y1004-S1008 VanDerWaalsContact O-N 3.09Å; H1005-S1008 PolarHBondContact O-N 3.11Å; L1006-S1008 VanDerWaalsContact C-N 3.32Å; L1006-S1008 PolarHBondContact O-N 3.12Å; S1008-A1010 VanDerWaalsContact C-N 3.33Å; S1008-A1010 PolarHBondContact O-N 3.2Å; S1008-Q1011 WeakPolarHBondContact O-CB 3.45Å; S1008-Q1011 PolarHBondContact O-N 3.23Å; S1008-Q1011 VanDerWaalsContact O-N 3.08Å; S1008-E1012 WeakPolarHBondContact O-CG 3.34Å; S1008-E1012 PolarHBondContact O-N 3.08Å; S1008-E1012 PolarHBondContact OG-OE1 3.08Å |
| 1009 | V | 88.5 | Confident | 84.9 | Confident | 17.4 Ų | 17.4 | 63.4 Ų | 63.4 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.2 | -36 | -179 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | H1005 L1006 E1012 C1013 N1026 V1027 A1030 | H1005-V1009 WeakPolarHBondContact O-CG2 3.31Å; H1005-V1009 PolarHBondContact O-N 3.28Å; H1005-V1009 VanDerWaalsContact O-N 3.12Å; L1006-V1009 PolarHBondContact O-N 3.14Å; V1009-E1012 PolarHBondContact O-N 3.12Å; V1009-C1013 WeakPolarHBondContact O-CB 3.39Å; V1009-C1013 PolarHBondContact O-N 3.21Å; V1009-N1026 HydrophobicContact CG1-CB 3.87Å; V1009-V1027 HydrophobicContact CG1-CB 4.45Å; V1009-V1027 HydrophobicContact CG1-CG2 3.82Å; V1009-V1027 WeakPolarHBondContact O-CG2 3.14Å; V1009-A1030 HydrophobicContact CB-CB 4.45Å; V1009-A1030 HydrophobicContact CG2-CB 4.46Å |
| 1010 | A | 87.1 | Confident | 84.7 | Confident | 0.6 Ų | 0.6 | 65 Ų | 65 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V957 A960 L1006 L1007 S1008 C1013 A1014 | V957-A1010 HydrophobicContact CG1-CB 4.39Å; V957-A1010 HydrophobicContact CG2-CB 4.44Å; V957-A1010 VanDerWaalsContact CG2-O 3.28Å; V957-A1010 WeakPolarHBondContact CG2-O 3.29Å; A960-A1010 HydrophobicContact CB-CB 4.24Å; L1006-A1010 VanDerWaalsContact O-CB 3.23Å; L1006-A1010 WeakPolarHBondContact O-CB 3.4Å; L1006-A1010 PolarHBondContact O-N 3.39Å; L1007-A1010 PolarHBondContact O-N 2.86Å; S1008-A1010 VanDerWaalsContact C-N 3.33Å; S1008-A1010 PolarHBondContact O-N 3.2Å; A1010-C1013 PolarHBondContact O-N 3.27Å; A1010-A1014 WeakPolarHBondContact O-CB 3.38Å; A1010-A1014 PolarHBondContact O-N 3.01Å |
| 1011 | Q | 87.4 | Confident | 84.4 | Confident | 122.6 Ų | 122.6 | 66.9 Ų | 66.9 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.6 | -43.3 | 173.6 | -137.8 | 172.6 | -4.8 | 0 | 0 | 111.5 | L1007 S1008 C1013 A1014 D1015 | L1007-Q1011 VanDerWaalsContact O-CB 3.28Å; L1007-Q1011 WeakPolarHBondContact O-CB 3.37Å; L1007-Q1011 VanDerWaalsContact O-CG 3.24Å; L1007-Q1011 WeakPolarHBondContact O-CG 3.36Å; L1007-Q1011 PolarHBondContact O-N 3.28Å; S1008-Q1011 WeakPolarHBondContact O-CB 3.45Å; S1008-Q1011 PolarHBondContact O-N 3.23Å; S1008-Q1011 VanDerWaalsContact O-N 3.08Å; Q1011-C1013 VanDerWaalsContact C-N 3.26Å; Q1011-C1013 PolarHBondContact O-N 3.25Å; Q1011-A1014 CarbonylContact O-C 3.38Å; Q1011-A1014 WeakPolarHBondContact O-CA 3.38Å; Q1011-A1014 WeakPolarHBondContact O-CB 3.37Å; Q1011-A1014 PolarHBondContact O-N 3.08Å; Q1011-D1015 WeakPolarHBondContact O-CB 3.37Å; Q1011-D1015 PolarHBondContact O-N 3.15Å |
| 1012 | E | 84.6 | Confident | 84.2 | Confident | 101.4 Ų | 101.4 | 66 Ų | 66 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.4 | -35.1 | 174.5 | -72.3 | 169.2 | -151.4 | 0 | 0 | 112.6 | S1008 V1009 G1016 N1017 | S1008-E1012 WeakPolarHBondContact O-CG 3.34Å; S1008-E1012 PolarHBondContact O-N 3.08Å; S1008-E1012 PolarHBondContact OG-OE1 3.08Å; V1009-E1012 PolarHBondContact O-N 3.12Å; E1012-G1016 VanDerWaalsContact O-CA 3.24Å; E1012-G1016 WeakPolarHBondContact O-CA 3.2Å; E1012-G1016 PolarHBondContact O-N 2.96Å; E1012-N1017 PolarHBondContact O-ND2 3.02Å |
| 1013 | C | 82.3 | Confident | 84 | Confident | 0.2 Ų | 0.2 | 66.7 Ų | 66.7 | 0% | 0.001 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.3 | -32.6 | 173 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | V957 V1009 A1010 Q1011 N1017 A1018 H1023 V1027 | V957-C1013 HydrophobicContact CG2-CB 4.07Å; V1009-C1013 WeakPolarHBondContact O-CB 3.39Å; V1009-C1013 PolarHBondContact O-N 3.21Å; A1010-C1013 PolarHBondContact O-N 3.27Å; Q1011-C1013 VanDerWaalsContact C-N 3.26Å; Q1011-C1013 PolarHBondContact O-N 3.25Å; C1013-N1017 CarbonylContact O-C 3.44Å; C1013-N1017 VanDerWaalsContact O-C 3.25Å; C1013-N1017 PolarHBondContact O-N 3Å; C1013-A1018 VanDerWaalsContact O-CA 3.3Å; C1013-A1018 WeakPolarHBondContact O-CA 3.39Å; C1013-A1018 PolarHBondContact O-N 3.18Å; C1013-H1023 HydrophobicContact CB-CB 4.33Å; C1013-V1027 HydrophobicContact CB-CG2 3.63Å |
| 1014 | A | 84.6 | Confident | 83.8 | Confident | 44.8 Ų | 44.8 | 66.5 Ų | 66.5 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.3 | -38.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V957 A1010 Q1011 G1016 | V957-A1014 HydrophobicContact CG1-CB 4.33Å; V957-A1014 HydrophobicContact CG2-CB 4.39Å; A1010-A1014 WeakPolarHBondContact O-CB 3.38Å; A1010-A1014 PolarHBondContact O-N 3.01Å; Q1011-A1014 CarbonylContact O-C 3.38Å; Q1011-A1014 WeakPolarHBondContact O-CA 3.38Å; Q1011-A1014 WeakPolarHBondContact O-CB 3.37Å; Q1011-A1014 PolarHBondContact O-N 3.08Å; A1014-G1016 PolarHBondContact O-N 3.19Å |
| 1015 | D | 81.5 | Confident | 83.6 | Confident | 127.2 Ų | 127.2 | 63.8 Ų | 63.8 | 68% | 0.68 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 26.8 | -178.9 | -71.2 | -18.5 | 0 | 0 | 0 | 112 | Q1011 N1017 | Q1011-D1015 WeakPolarHBondContact O-CB 3.37Å; Q1011-D1015 PolarHBondContact O-N 3.15Å; D1015-N1017 PolarHBondContact O-N 3.44Å |
| 1016 | G | 71.7 | Confident | 83.4 | Confident | 57.8 Ų | 57.8 | 62.9 Ų | 62.9 | 60% | 0.596 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | -8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1012 A1014 A1018 | E1012-G1016 VanDerWaalsContact O-CA 3.24Å; E1012-G1016 WeakPolarHBondContact O-CA 3.2Å; E1012-G1016 PolarHBondContact O-N 2.96Å; A1014-G1016 PolarHBondContact O-N 3.19Å; G1016-A1018 PolarHBondContact O-N 2.79Å; G1016-A1018 VanDerWaalsContact O-N 3.11Å |
| 1017 | N | 73.6 | Confident | 83.3 | Confident | 79.4 Ų | 79.4 | 62.9 Ų | 62.9 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | trans | -93.4 | 47.5 | -177.7 | -103.2 | -26.1 | 0 | 0 | 0 | 113.2 | E1012 C1013 D1015 Q1019 S1020 H1023 | E1012-N1017 PolarHBondContact O-ND2 3.02Å; C1013-N1017 CarbonylContact O-C 3.44Å; C1013-N1017 VanDerWaalsContact O-C 3.25Å; C1013-N1017 PolarHBondContact O-N 3Å; D1015-N1017 PolarHBondContact O-N 3.44Å; N1017-Q1019 PolarHBondContact O-N 3.09Å; N1017-Q1019 WeakPolarHBondContact OD1-CB 3.25Å; N1017-Q1019 PolarHBondContact OD1-N 3.36Å; N1017-S1020 VanDerWaalsContact O-CB 3.29Å; N1017-S1020 WeakPolarHBondContact O-CB 3.4Å; N1017-S1020 PolarHBondContact O-N 3.25Å; N1017-H1023 HydrophobicContact CB-CB 4.13Å | ||
| 1018 | A | 73.6 | Confident | 83.1 | Confident | 20.8 Ų | 20.8 | 61.3 Ų | 61.3 | 17% | 0.172 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G953 L954 C1013 G1016 Q1024 | G953-A1018 VanDerWaalsContact CA-O 3.29Å; G953-A1018 WeakPolarHBondContact CA-O 3.29Å; G953-A1018 PolarHBondContact N-O 3.2Å; L954-A1018 HydrophobicContact CG-CB 4.48Å; C1013-A1018 VanDerWaalsContact O-CA 3.3Å; C1013-A1018 WeakPolarHBondContact O-CA 3.39Å; C1013-A1018 PolarHBondContact O-N 3.18Å; G1016-A1018 PolarHBondContact O-N 2.79Å; G1016-A1018 VanDerWaalsContact O-N 3.11Å; A1018-Q1024 PolarHBondContact O-NE2 3.14Å |
| 1019 | Q | 75.4 | Confident | 83 | Confident | 159.8 Ų | 159.8 | 62.8 Ų | 62.8 | 75% | 0.747 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -2.3 | 174.5 | -64.5 | -101.9 | -22.1 | 0 | 0 | 113.6 | G951 N1017 L1021 | G951-Q1019 PolarHBondContact O-NE2 3.22Å; G951-Q1019 PolarHBondContact O-OE1 3.19Å; N1017-Q1019 PolarHBondContact O-N 3.09Å; N1017-Q1019 WeakPolarHBondContact OD1-CB 3.25Å; N1017-Q1019 PolarHBondContact OD1-N 3.36Å; Q1019-L1021 PolarHBondContact O-N 3.22Å |
| 1020 | S | 81.8 | Confident | 82.9 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | trans | -77 | 112.8 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | N1017 E1022 H1023 Q1024 | N1017-S1020 VanDerWaalsContact O-CB 3.29Å; N1017-S1020 WeakPolarHBondContact O-CB 3.4Å; N1017-S1020 PolarHBondContact O-N 3.25Å; S1020-E1022 VanDerWaalsContact C-N 3.25Å; S1020-E1022 PolarHBondContact O-N 3.07Å; S1020-H1023 VanDerWaalsContact CB-ND1 3.34Å; S1020-H1023 WeakPolarHBondContact CB-ND1 3.43Å; S1020-H1023 PolarHBondContact O-N 3.21Å; S1020-H1023 VanDerWaalsContact O-N 3.16Å; S1020-H1023 PolarHBondContact OG-ND1 3.18Å; S1020-H1023 VanDerWaalsContact OG-ND1 3.16Å; S1020-Q1024 WeakPolarHBondContact O-CG 3.36Å; S1020-Q1024 PolarHBondContact O-N 3.12Å | ||
| 1021 | L | 84 | Confident | 82.9 | Confident | 92.6 Ų | 92.6 | 62.1 Ų | 62.1 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57 | -37 | 178 | -176.2 | 66.8 | 0 | 0 | 0 | 112.3 | V950 Q1019 Q1024 Q1025 | V950-L1021 HydrophobicContact CG1-CD1 3.95Å; Q1019-L1021 PolarHBondContact O-N 3.22Å; L1021-Q1024 PolarHBondContact O-N 3.15Å; L1021-Q1025 HydrophobicContact CD1-CG 4.44Å; L1021-Q1025 HydrophobicContact CG-CG 4.39Å; L1021-Q1025 WeakPolarHBondContact O-CB 3.31Å; L1021-Q1025 VanDerWaalsContact O-CG 3.26Å; L1021-Q1025 WeakPolarHBondContact O-CG 3.4Å; L1021-Q1025 PolarHBondContact O-N 3.06Å |
| 1022 | E | 84.2 | Confident | 82.8 | Confident | 129.2 Ų | 129.2 | 60.5 Ų | 60.5 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 178.4 | -174.3 | 177.9 | -175.5 | 0 | 0 | 111.9 | S1020 Q1025 N1026 | S1020-E1022 VanDerWaalsContact C-N 3.25Å; S1020-E1022 PolarHBondContact O-N 3.07Å; E1022-Q1025 PolarHBondContact O-N 3.07Å; E1022-N1026 VanDerWaalsContact O-CG 3.25Å; E1022-N1026 PolarHBondContact O-N 3.2Å; E1022-N1026 PolarHBondContact O-ND2 3.12Å; E1022-N1026 PolarHBondContact O-OD1 3.42Å |
| 1023 | H | 82.7 | Confident | 82.9 | Confident | 53 Ų | 53 | 59 Ų | 59 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 176.9 | -66.8 | 75.5 | 0 | 0 | 0 | 111.3 | C1013 N1017 S1020 Q1025 N1026 V1027 | C1013-H1023 HydrophobicContact CB-CB 4.33Å; N1017-H1023 HydrophobicContact CB-CB 4.13Å; S1020-H1023 VanDerWaalsContact CB-ND1 3.34Å; S1020-H1023 WeakPolarHBondContact CB-ND1 3.43Å; S1020-H1023 PolarHBondContact O-N 3.21Å; S1020-H1023 VanDerWaalsContact O-N 3.16Å; S1020-H1023 PolarHBondContact OG-ND1 3.18Å; S1020-H1023 VanDerWaalsContact OG-ND1 3.16Å; H1023-Q1025 VanDerWaalsContact C-N 3.34Å; H1023-Q1025 PolarHBondContact O-N 3.2Å; H1023-N1026 PolarHBondContact O-N 3.13Å; H1023-V1027 WeakPolarHBondContact O-CG2 3.41Å; H1023-V1027 PolarHBondContact O-N 2.86Å |
| 1024 | Q | 85.6 | Confident | 83.1 | Confident | 4.6 Ų | 4.6 | 59 Ų | 59 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 173.1 | -68.8 | 179.2 | 8.8 | 0 | 0 | 111.7 | G951 L956 A1018 S1020 L1021 V1027 I1028 | G951-Q1024 VanDerWaalsContact N-OE1 3.1Å; L956-Q1024 HydrophobicContact CD2-CB 3.71Å; L956-Q1024 HydrophobicContact CD2-CG 3.96Å; L956-Q1024 WeakPolarHBondContact CD2-O 3.33Å; A1018-Q1024 PolarHBondContact O-NE2 3.14Å; S1020-Q1024 WeakPolarHBondContact O-CG 3.36Å; S1020-Q1024 PolarHBondContact O-N 3.12Å; L1021-Q1024 PolarHBondContact O-N 3.15Å; Q1024-V1027 PolarHBondContact O-N 3.17Å; Q1024-I1028 WeakPolarHBondContact O-CG1 3.43Å; Q1024-I1028 PolarHBondContact O-N 3.12Å; Q1024-I1028 VanDerWaalsContact O-N 3.1Å |
| 1025 | Q | 86.3 | Confident | 83.1 | Confident | 97.6 Ų | 97.6 | 57.2 Ų | 57.2 | 46% | 0.456 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.6 | -76.3 | 173.8 | -17.5 | 0 | 0 | 111.9 | L1021 E1022 H1023 V1027 I1028 I1029 | L1021-Q1025 HydrophobicContact CD1-CG 4.44Å; L1021-Q1025 HydrophobicContact CG-CG 4.39Å; L1021-Q1025 WeakPolarHBondContact O-CB 3.31Å; L1021-Q1025 VanDerWaalsContact O-CG 3.26Å; L1021-Q1025 WeakPolarHBondContact O-CG 3.4Å; L1021-Q1025 PolarHBondContact O-N 3.06Å; E1022-Q1025 PolarHBondContact O-N 3.07Å; H1023-Q1025 VanDerWaalsContact C-N 3.34Å; H1023-Q1025 PolarHBondContact O-N 3.2Å; Q1025-V1027 VanDerWaalsContact C-N 3.34Å; Q1025-V1027 PolarHBondContact O-N 3.13Å; Q1025-I1028 PolarHBondContact O-N 3.2Å; Q1025-I1028 VanDerWaalsContact O-N 3.15Å; Q1025-I1029 VanDerWaalsContact O-CG1 3.31Å; Q1025-I1029 WeakPolarHBondContact O-CG1 3.39Å; Q1025-I1029 PolarHBondContact O-N 3.28Å |
| 1026 | N | 87 | Confident | 83.2 | Confident | 72.4 Ų | 72.4 | 56 Ų | 56 | 39% | 0.387 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 175.5 | -69.4 | -19.8 | 0 | 0 | 0 | 112 | V1009 E1022 H1023 I1028 I1029 A1030 | V1009-N1026 HydrophobicContact CG1-CB 3.87Å; E1022-N1026 VanDerWaalsContact O-CG 3.25Å; E1022-N1026 PolarHBondContact O-N 3.2Å; E1022-N1026 PolarHBondContact O-ND2 3.12Å; E1022-N1026 PolarHBondContact O-OD1 3.42Å; H1023-N1026 PolarHBondContact O-N 3.13Å; N1026-I1028 VanDerWaalsContact C-N 3.33Å; N1026-I1028 PolarHBondContact O-N 3.23Å; N1026-I1029 PolarHBondContact O-N 3.01Å; N1026-A1030 VanDerWaalsContact O-CB 3.31Å; N1026-A1030 WeakPolarHBondContact O-CB 3.33Å; N1026-A1030 PolarHBondContact O-N 3.03Å |
| 1027 | V | 87.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L956 A960 L1006 V1009 C1013 H1023 Q1024 Q1025 A1030 A1031 | L956-V1027 HydrophobicContact CD1-CG1 4.41Å; L956-V1027 HydrophobicContact CD2-CB 3.99Å; L956-V1027 HydrophobicContact CD2-CG1 4.07Å; L956-V1027 HydrophobicContact CG-CB 4.4Å; L956-V1027 HydrophobicContact CG-CG1 3.92Å; A960-V1027 HydrophobicContact CB-CG1 3.89Å; L1006-V1027 HydrophobicContact CD1-CG1 4.35Å; V1009-V1027 HydrophobicContact CG1-CB 4.45Å; V1009-V1027 HydrophobicContact CG1-CG2 3.82Å; V1009-V1027 WeakPolarHBondContact O-CG2 3.14Å; C1013-V1027 HydrophobicContact CB-CG2 3.63Å; H1023-V1027 WeakPolarHBondContact O-CG2 3.41Å; H1023-V1027 PolarHBondContact O-N 2.86Å; Q1024-V1027 PolarHBondContact O-N 3.17Å; Q1025-V1027 VanDerWaalsContact C-N 3.34Å; Q1025-V1027 PolarHBondContact O-N 3.13Å; V1027-A1030 PolarHBondContact O-N 2.93Å; V1027-A1031 VanDerWaalsContact O-CB 3.26Å; V1027-A1031 WeakPolarHBondContact O-CB 3.41Å; V1027-A1031 PolarHBondContact O-N 3.02Å |
| 1028 | I | 86.8 | Confident | 84.2 | Confident | 16.2 Ų | 16.2 | 50 Ų | 50 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 178.6 | -68.8 | 165.7 | 0 | 0 | 0 | 110.9 | V950 L956 Q1024 Q1025 N1026 A1030 A1031 E1032 | V950-I1028 HydrophobicContact CG2-CD1 3.3Å; V950-I1028 VanDerWaalsContact CG2-CD1 3.43Å; L956-I1028 HydrophobicContact CD1-CD1 4.28Å; L956-I1028 HydrophobicContact CD1-CG1 3.83Å; L956-I1028 HydrophobicContact CD2-CD1 4.39Å; L956-I1028 HydrophobicContact CD2-CG1 4.28Å; Q1024-I1028 WeakPolarHBondContact O-CG1 3.43Å; Q1024-I1028 PolarHBondContact O-N 3.12Å; Q1024-I1028 VanDerWaalsContact O-N 3.1Å; Q1025-I1028 PolarHBondContact O-N 3.2Å; Q1025-I1028 VanDerWaalsContact O-N 3.15Å; N1026-I1028 VanDerWaalsContact C-N 3.33Å; N1026-I1028 PolarHBondContact O-N 3.23Å; I1028-A1030 VanDerWaalsContact C-N 3.34Å; I1028-A1030 PolarHBondContact O-N 3.14Å; I1028-A1031 CarbonylContact O-C 3.55Å; I1028-A1031 PolarHBondContact O-N 3.2Å; I1028-A1031 VanDerWaalsContact O-N 3.15Å; I1028-E1032 HydrophobicContact CG2-CG 4.27Å; I1028-E1032 WeakPolarHBondContact CG2-OE1 3.36Å; I1028-E1032 WeakPolarHBondContact O-CB 3.29Å; I1028-E1032 WeakPolarHBondContact O-CG 3.4Å; I1028-E1032 PolarHBondContact O-N 3.09Å |
| 1029 | I | 86.5 | Confident | 84.5 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 45% | 0.446 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.1 | -66 | 163.1 | 0 | 0 | 0 | 110.6 | Q1025 N1026 A1031 E1032 N1033 | Q1025-I1029 VanDerWaalsContact O-CG1 3.31Å; Q1025-I1029 WeakPolarHBondContact O-CG1 3.39Å; Q1025-I1029 PolarHBondContact O-N 3.28Å; N1026-I1029 PolarHBondContact O-N 3.01Å; I1029-A1031 VanDerWaalsContact C-N 3.33Å; I1029-A1031 PolarHBondContact O-N 3.16Å; I1029-E1032 PolarHBondContact O-N 3.26Å; I1029-N1033 WeakPolarHBondContact O-CB 3.36Å; I1029-N1033 VanDerWaalsContact O-CG 3.24Å; I1029-N1033 PolarHBondContact O-N 3.17Å; I1029-N1033 PolarHBondContact O-ND2 3.07Å |
| 1030 | A | 87.3 | Confident | 84.7 | Confident | 2.6 Ų | 2.6 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1006 V1009 N1026 V1027 I1028 N1033 L1034 | L1006-A1030 HydrophobicContact CD1-CB 3.94Å; V1009-A1030 HydrophobicContact CB-CB 4.45Å; V1009-A1030 HydrophobicContact CG2-CB 4.46Å; N1026-A1030 VanDerWaalsContact O-CB 3.31Å; N1026-A1030 WeakPolarHBondContact O-CB 3.33Å; N1026-A1030 PolarHBondContact O-N 3.03Å; V1027-A1030 PolarHBondContact O-N 2.93Å; I1028-A1030 VanDerWaalsContact C-N 3.34Å; I1028-A1030 PolarHBondContact O-N 3.14Å; A1030-N1033 PolarHBondContact O-N 3.18Å; A1030-L1034 WeakPolarHBondContact O-CB 3.39Å; A1030-L1034 PolarHBondContact O-N 3.21Å |
| 1031 | A | 87.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.5 | -39.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L946 L963 L1006 V1027 I1028 I1029 L1034 V1035 | L946-A1031 HydrophobicContact CD1-CB 3.61Å; L946-A1031 HydrophobicContact CD2-CB 4.1Å; L946-A1031 HydrophobicContact CG-CB 4.45Å; L963-A1031 HydrophobicContact CD2-CB 3.82Å; L1006-A1031 HydrophobicContact CD1-CB 3.91Å; L1006-A1031 HydrophobicContact CD2-CB 4.37Å; V1027-A1031 VanDerWaalsContact O-CB 3.26Å; V1027-A1031 WeakPolarHBondContact O-CB 3.41Å; V1027-A1031 PolarHBondContact O-N 3.02Å; I1028-A1031 CarbonylContact O-C 3.55Å; I1028-A1031 PolarHBondContact O-N 3.2Å; I1028-A1031 VanDerWaalsContact O-N 3.15Å; I1029-A1031 VanDerWaalsContact C-N 3.33Å; I1029-A1031 PolarHBondContact O-N 3.16Å; A1031-L1034 WeakPolarHBondContact O-CB 3.09Å; A1031-L1034 PolarHBondContact O-N 3.29Å; A1031-V1035 VanDerWaalsContact O-CG2 3.31Å; A1031-V1035 WeakPolarHBondContact O-CG2 3.27Å; A1031-V1035 PolarHBondContact O-N 3.14Å |
| 1032 | E | 85.5 | Confident | 84.4 | Confident | 89.8 Ų | 89.8 | 37.8 Ų | 37.8 | 42% | 0.42 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 173 | -74.6 | 176.2 | 178.6 | 0 | 0 | 111 | I1028 I1029 L1034 V1035 N1036 | I1028-E1032 HydrophobicContact CG2-CG 4.27Å; I1028-E1032 WeakPolarHBondContact CG2-OE1 3.36Å; I1028-E1032 WeakPolarHBondContact O-CB 3.29Å; I1028-E1032 WeakPolarHBondContact O-CG 3.4Å; I1028-E1032 PolarHBondContact O-N 3.09Å; I1029-E1032 PolarHBondContact O-N 3.26Å; E1032-L1034 VanDerWaalsContact C-N 3.34Å; E1032-L1034 PolarHBondContact O-N 3.34Å; E1032-V1035 PolarHBondContact O-N 3.21Å; E1032-N1036 WeakPolarHBondContact O-CB 3.4Å; E1032-N1036 VanDerWaalsContact O-CG 3.23Å; E1032-N1036 PolarHBondContact O-N 3.28Å; E1032-N1036 PolarHBondContact O-ND2 3.05Å; E1032-N1036 VanDerWaalsContact O-ND2 3.15Å |
| 1033 | N | 85.9 | Confident | 84.2 | Confident | 70.2 Ų | 70.2 | 32.1 Ų | 32.1 | 38% | 0.375 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 172.5 | -71.6 | -22.5 | 0 | 0 | 0 | 111.7 | E1002 I1029 A1030 V1035 N1036 T1037 | E1002-N1033 VanDerWaalsContact OE1-CB 3.27Å; E1002-N1033 WeakPolarHBondContact OE1-CB 3.39Å; I1029-N1033 WeakPolarHBondContact O-CB 3.36Å; I1029-N1033 VanDerWaalsContact O-CG 3.24Å; I1029-N1033 PolarHBondContact O-N 3.17Å; I1029-N1033 PolarHBondContact O-ND2 3.07Å; A1030-N1033 PolarHBondContact O-N 3.18Å; N1033-V1035 PolarHBondContact O-N 3.08Å; N1033-N1036 PolarHBondContact O-N 3.12Å; N1033-T1037 WeakPolarHBondContact O-CB 3.36Å; N1033-T1037 VanDerWaalsContact O-CG2 3.24Å; N1033-T1037 WeakPolarHBondContact O-CG2 3.4Å; N1033-T1037 PolarHBondContact O-N 3.25Å; N1033-T1037 PolarHBondContact O-OG1 3.06Å |
| 1034 | L | 87 | Confident | 83.9 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.1 | -176.8 | 62.6 | 0 | 0 | 0 | 112.1 | L963 V967 L999 E1002 I1003 L1006 A1030 A1031 E1032 T1037 A1038 | L963-L1034 HydrophobicContact CD2-CB 4.45Å; L963-L1034 HydrophobicContact CD2-CD2 4.11Å; L963-L1034 HydrophobicContact CG-CD2 4.09Å; V967-L1034 HydrophobicContact CB-CD1 4.44Å; V967-L1034 HydrophobicContact CB-CD2 4.43Å; V967-L1034 HydrophobicContact CG1-CD1 4.06Å; V967-L1034 HydrophobicContact CG2-CD1 4.4Å; V967-L1034 HydrophobicContact CG2-CD2 4.11Å; V967-L1034 HydrophobicContact CG2-CG 4.1Å; L999-L1034 HydrophobicContact CD1-CD1 4.1Å; E1002-L1034 HydrophobicContact CB-CD1 3.68Å; E1002-L1034 HydrophobicContact CG-CB 4.08Å; E1002-L1034 HydrophobicContact CG-CD1 3.78Å; E1002-L1034 HydrophobicContact CG-CG 4.44Å; I1003-L1034 HydrophobicContact CG1-CD1 3.97Å; I1003-L1034 HydrophobicContact CG1-CD2 4.36Å; L1006-L1034 HydrophobicContact CB-CD2 4.27Å; L1006-L1034 HydrophobicContact CD2-CB 4.49Å; L1006-L1034 HydrophobicContact CD2-CD2 3.41Å; L1006-L1034 VanDerWaalsContact CD2-CD2 3.43Å; L1006-L1034 HydrophobicContact CG-CD2 4.46Å; A1030-L1034 WeakPolarHBondContact O-CB 3.39Å; A1030-L1034 PolarHBondContact O-N 3.21Å; A1031-L1034 WeakPolarHBondContact O-CB 3.09Å; A1031-L1034 PolarHBondContact O-N 3.29Å; E1032-L1034 VanDerWaalsContact C-N 3.34Å; E1032-L1034 PolarHBondContact O-N 3.34Å; L1034-T1037 WeakPolarHBondContact CA-OG1 3.34Å; L1034-T1037 PolarHBondContact O-N 3.46Å; L1034-T1037 PolarHBondContact O-OG1 3.1Å; L1034-T1037 VanDerWaalsContact O-OG1 3.09Å; L1034-A1038 WeakPolarHBondContact O-CB 3.37Å; L1034-A1038 PolarHBondContact O-N 2.91Å |
| 1035 | V | 85.1 | Confident | 83.6 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 176.2 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | L939 L963 A1031 E1032 N1033 T1037 A1038 H1039 | L939-V1035 HydrophobicContact CD1-CG2 4.15Å; L963-V1035 HydrophobicContact CD1-CG2 3.84Å; L963-V1035 HydrophobicContact CD2-CG2 3.88Å; L963-V1035 HydrophobicContact CG-CG2 4.46Å; A1031-V1035 VanDerWaalsContact O-CG2 3.31Å; A1031-V1035 WeakPolarHBondContact O-CG2 3.27Å; A1031-V1035 PolarHBondContact O-N 3.14Å; E1032-V1035 PolarHBondContact O-N 3.21Å; N1033-V1035 PolarHBondContact O-N 3.08Å; V1035-T1037 PolarHBondContact O-N 3.32Å; V1035-A1038 PolarHBondContact O-N 3.09Å; V1035-H1039 VanDerWaalsContact CG1-CD2 3.42Å; V1035-H1039 WeakPolarHBondContact CG1-CD2 3.47Å; V1035-H1039 WeakPolarHBondContact O-CB 3.4Å; V1035-H1039 PolarHBondContact O-CD2 2.99Å; V1035-H1039 PolarHBondContact O-N 3.19Å |
| 1036 | N | 82.6 | Confident | 83.4 | Confident | 102.2 Ų | 102.2 | 26.5 Ų | 26.5 | 55% | 0.547 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 179 | -71.5 | -29.7 | 0 | 0 | 0 | 112 | E1032 N1033 H1039 A1040 | E1032-N1036 WeakPolarHBondContact O-CB 3.4Å; E1032-N1036 VanDerWaalsContact O-CG 3.23Å; E1032-N1036 PolarHBondContact O-N 3.28Å; E1032-N1036 PolarHBondContact O-ND2 3.05Å; E1032-N1036 VanDerWaalsContact O-ND2 3.15Å; N1033-N1036 PolarHBondContact O-N 3.12Å; N1036-H1039 PolarHBondContact O-N 3.14Å; N1036-A1040 WeakPolarHBondContact O-CB 3.26Å; N1036-A1040 PolarHBondContact O-N 3.22Å |
| 1037 | T | 82.5 | Confident | 83.2 | Confident | 12.6 Ų | 12.6 | 23.7 Ų | 23.7 | 8% | 0.077 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.6 | -37.9 | 175.4 | 55 | 0 | 0 | 0 | 0 | 111.7 | E1002 N1033 L1034 V1035 A1040 T1041 L1190 | E1002-T1037 HydrophobicContact CG-CG2 4.38Å; N1033-T1037 WeakPolarHBondContact O-CB 3.36Å; N1033-T1037 VanDerWaalsContact O-CG2 3.24Å; N1033-T1037 WeakPolarHBondContact O-CG2 3.4Å; N1033-T1037 PolarHBondContact O-N 3.25Å; N1033-T1037 PolarHBondContact O-OG1 3.06Å; L1034-T1037 WeakPolarHBondContact CA-OG1 3.34Å; L1034-T1037 PolarHBondContact O-N 3.46Å; L1034-T1037 PolarHBondContact O-OG1 3.1Å; L1034-T1037 VanDerWaalsContact O-OG1 3.09Å; V1035-T1037 PolarHBondContact O-N 3.32Å; T1037-A1040 PolarHBondContact O-N 3.03Å; T1037-T1041 VanDerWaalsContact O-CB 3.31Å; T1037-T1041 WeakPolarHBondContact O-CB 3.35Å; T1037-T1041 VanDerWaalsContact O-CG2 3.32Å; T1037-T1041 WeakPolarHBondContact O-CG2 3.37Å; T1037-T1041 PolarHBondContact O-N 3.26Å; T1037-T1041 PolarHBondContact O-OG1 3.23Å; T1037-L1190 HydrophobicContact CG2-CD1 3.87Å; T1037-L1190 HydrophobicContact CG2-CD2 3.91Å; T1037-L1190 HydrophobicContact CG2-CG 4.44Å |
| 1038 | A | 84 | Confident | 82.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L939 V967 L999 L1034 V1035 A1040 A1042 | L939-A1038 HydrophobicContact CD1-CB 4.04Å; V967-A1038 HydrophobicContact CG1-CB 4.29Å; V967-A1038 HydrophobicContact CG2-CB 4.27Å; L999-A1038 HydrophobicContact CD1-CB 3.82Å; L999-A1038 VanDerWaalsContact CD2-CA 3.45Å; L999-A1038 HydrophobicContact CD2-CB 3.86Å; L1034-A1038 WeakPolarHBondContact O-CB 3.37Å; L1034-A1038 PolarHBondContact O-N 2.91Å; V1035-A1038 PolarHBondContact O-N 3.09Å; A1038-A1040 VanDerWaalsContact C-N 3.3Å; A1038-A1040 PolarHBondContact O-N 3.21Å; A1038-A1042 WeakPolarHBondContact O-CA 3.36Å; A1038-A1042 VanDerWaalsContact O-CB 3.26Å; A1038-A1042 WeakPolarHBondContact O-CB 3.31Å; A1038-A1042 PolarHBondContact O-N 3.24Å |
| 1039 | H | 80 | Confident | 82.7 | Confident | 39 Ų | 39 | 26.4 Ų | 26.4 | 18% | 0.181 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 175.2 | -79.9 | -62.3 | 0 | 0 | 0 | 112.6 | V1035 N1036 A1043 | V1035-H1039 VanDerWaalsContact CG1-CD2 3.42Å; V1035-H1039 WeakPolarHBondContact CG1-CD2 3.47Å; V1035-H1039 WeakPolarHBondContact O-CB 3.4Å; V1035-H1039 PolarHBondContact O-CD2 2.99Å; V1035-H1039 PolarHBondContact O-N 3.19Å; N1036-H1039 PolarHBondContact O-N 3.14Å; H1039-A1043 VanDerWaalsContact O-CA 3.27Å; H1039-A1043 WeakPolarHBondContact O-CA 3.39Å; H1039-A1043 WeakPolarHBondContact O-CB 3.34Å; H1039-A1043 PolarHBondContact O-N 3.14Å |
| 1040 | A | 78.5 | Confident | 82.6 | Confident | 8.8 Ų | 8.8 | 22.7 Ų | 22.7 | 7% | 0.073 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -76.4 | -47.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1036 T1037 A1038 P1185 L1187 L1190 | N1036-A1040 WeakPolarHBondContact O-CB 3.26Å; N1036-A1040 PolarHBondContact O-N 3.22Å; T1037-A1040 PolarHBondContact O-N 3.03Å; A1038-A1040 VanDerWaalsContact C-N 3.3Å; A1038-A1040 PolarHBondContact O-N 3.21Å; A1040-P1185 HydrophobicContact CB-CB 4.08Å; A1040-P1185 HydrophobicContact CB-CG 4.13Å; A1040-L1187 WeakPolarHBondContact O-CD1 3.49Å; A1040-L1190 HydrophobicContact CB-CD1 3.66Å |
| 1041 | T | 79.3 | Confident | 82.5 | Confident | 1.6 Ų | 1.6 | 22.6 Ų | 22.6 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -77.1 | -44.2 | -174.6 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | R995 V998 L999 T1037 L1187 L1190 | R995-T1041 WeakPolarHBondContact CD-O 3.4Å; R995-T1041 PolarHBondContact NH1-O 3.29Å; R995-T1041 VanDerWaalsContact NH1-O 3.11Å; V998-T1041 HydrophobicContact CB-CG2 4.32Å; V998-T1041 HydrophobicContact CG1-CG2 4.09Å; L999-T1041 VanDerWaalsContact CD1-OG1 3.29Å; L999-T1041 WeakPolarHBondContact CD1-OG1 3.37Å; L999-T1041 VanDerWaalsContact CD2-OG1 3.28Å; L999-T1041 WeakPolarHBondContact CD2-OG1 3.43Å; L999-T1041 HydrophobicContact CG-CG2 4.42Å; L999-T1041 WeakPolarHBondContact CG-OG1 3.41Å; T1037-T1041 VanDerWaalsContact O-CB 3.31Å; T1037-T1041 WeakPolarHBondContact O-CB 3.35Å; T1037-T1041 VanDerWaalsContact O-CG2 3.32Å; T1037-T1041 WeakPolarHBondContact O-CG2 3.37Å; T1037-T1041 PolarHBondContact O-N 3.26Å; T1037-T1041 PolarHBondContact O-OG1 3.23Å; T1041-L1187 HydrophobicContact CG2-CD2 4.18Å; T1041-L1190 HydrophobicContact CG2-CD2 3.71Å |
| 1042 | A | 80.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -93.8 | 7.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L970 L974 L999 A1038 P1044 I1045 I1046 | L970-A1042 HydrophobicContact CD1-CB 4.46Å; L974-A1042 HydrophobicContact CD1-CB 4.25Å; L999-A1042 HydrophobicContact CD1-CB 4.4Å; A1038-A1042 WeakPolarHBondContact O-CA 3.36Å; A1038-A1042 VanDerWaalsContact O-CB 3.26Å; A1038-A1042 WeakPolarHBondContact O-CB 3.31Å; A1038-A1042 PolarHBondContact O-N 3.24Å; A1042-P1044 VanDerWaalsContact C-N 3.29Å; A1042-P1044 VanDerWaalsContact O-N 3.13Å; A1042-I1045 PolarHBondContact O-N 2.96Å; A1042-I1046 HydrophobicContact CB-CD1 3.95Å; A1042-I1046 HydrophobicContact CB-CG1 4.21Å; A1042-I1046 WeakPolarHBondContact O-CG1 3.38Å; A1042-I1046 PolarHBondContact O-N 3.35Å |
| 1043 | A | 80.5 | Confident | 82.2 | Confident | 10.2 Ų | 10.2 | 23.6 Ų | 23.6 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -41.1 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1039 I1045 I1046 R1047 | H1039-A1043 VanDerWaalsContact O-CA 3.27Å; H1039-A1043 WeakPolarHBondContact O-CA 3.39Å; H1039-A1043 WeakPolarHBondContact O-CB 3.34Å; H1039-A1043 PolarHBondContact O-N 3.14Å; A1043-I1045 VanDerWaalsContact C-N 3.35Å; A1043-I1045 PolarHBondContact O-N 3.21Å; A1043-I1046 PolarHBondContact O-N 3.13Å; A1043-R1047 VanDerWaalsContact O-CB 3.23Å; A1043-R1047 WeakPolarHBondContact O-CB 3.35Å; A1043-R1047 WeakPolarHBondContact O-CG 3.3Å; A1043-R1047 PolarHBondContact O-N 3.13Å |
| 1044 | P | 76.6 | Confident | 82.3 | Confident | 26.2 Ų | 26.2 | 20.2 Ų | 20.2 | 17% | 0.17 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | -178.4 | -25 | 35.9 | 0 | 0 | 0 | 113.4 | L985 I987 R995 A1042 S1048 | L985-P1044 HydrophobicContact CB-CB 4.34Å; L985-P1044 HydrophobicContact CD1-CB 4.15Å; L985-P1044 HydrophobicContact CD2-CB 3.48Å; L985-P1044 VanDerWaalsContact CD2-CB 3.43Å; L985-P1044 VanDerWaalsContact CD2-O 3.29Å; L985-P1044 WeakPolarHBondContact CD2-O 3.34Å; L985-P1044 HydrophobicContact CG-CB 4.42Å; I987-P1044 HydrophobicContact CD1-CB 3.73Å; I987-P1044 HydrophobicContact CD1-CG 3.32Å; I987-P1044 VanDerWaalsContact CD1-CG 3.43Å; R995-P1044 VanDerWaalsContact NH1-CD 3.3Å; A1042-P1044 VanDerWaalsContact C-N 3.29Å; A1042-P1044 VanDerWaalsContact O-N 3.13Å; P1044-S1048 VanDerWaalsContact O-CB 3.23Å; P1044-S1048 WeakPolarHBondContact O-CB 3.32Å; P1044-S1048 PolarHBondContact O-N 3.29Å; P1044-S1048 VanDerWaalsContact O-N 3.11Å |
| 1045 | I | 79.2 | Confident | 82.3 | Confident | 11.2 Ų | 11.2 | 20.8 Ų | 20.8 | 6% | 0.057 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.2 | -49.4 | 178.6 | -64.1 | -177.4 | 0 | 0 | 0 | 109.8 | L970 D973 L974 L985 A1042 A1043 R1047 S1048 R1049 | L970-I1045 HydrophobicContact CD2-CG2 4.46Å; D973-I1045 HydrophobicContact CB-CD1 4.14Å; L974-I1045 HydrophobicContact CB-CD1 4.36Å; L974-I1045 HydrophobicContact CD2-CD1 3.51Å; L974-I1045 VanDerWaalsContact CD2-CD1 3.46Å; L974-I1045 HydrophobicContact CD2-CG1 4.22Å; L974-I1045 HydrophobicContact CG-CD1 3.75Å; L985-I1045 HydrophobicContact CD1-CD1 4.36Å; L985-I1045 HydrophobicContact CD1-CG1 4.14Å; L985-I1045 HydrophobicContact CD2-CB 4.4Å; L985-I1045 HydrophobicContact CD2-CG1 3.85Å; A1042-I1045 PolarHBondContact O-N 2.96Å; A1043-I1045 VanDerWaalsContact C-N 3.35Å; A1043-I1045 PolarHBondContact O-N 3.21Å; I1045-R1047 VanDerWaalsContact C-N 3.35Å; I1045-R1047 PolarHBondContact O-N 3.11Å; I1045-S1048 PolarHBondContact O-N 2.94Å; I1045-R1049 HydrophobicContact CG2-CG 4.39Å; I1045-R1049 WeakPolarHBondContact O-CB 3.23Å; I1045-R1049 WeakPolarHBondContact O-CG 3.38Å; I1045-R1049 PolarHBondContact O-N 3.16Å |
| 1046 | I | 81.2 | Confident | 82.3 | Confident | 0.6 Ų | 0.6 | 21.4 Ų | 21.4 | 0% | 0.003 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.2 | -50.6 | -178.8 | -64.3 | 170.7 | 0 | 0 | 0 | 109.9 | I936 L939 L970 A1042 A1043 S1048 R1049 L1050 V1179 | I936-I1046 HydrophobicContact CD1-CB 4.37Å; I936-I1046 HydrophobicContact CD1-CG1 4.47Å; I936-I1046 HydrophobicContact CD1-CG2 4.19Å; I936-I1046 HydrophobicContact CG1-CG1 4.47Å; I936-I1046 HydrophobicContact CG1-CG2 4.44Å; I936-I1046 HydrophobicContact CG2-CG2 4.15Å; L939-I1046 HydrophobicContact CD2-CD1 4.28Å; L970-I1046 HydrophobicContact CD1-CD1 4.27Å; L970-I1046 HydrophobicContact CD1-CG1 4.39Å; L970-I1046 HydrophobicContact CD2-CG1 4.42Å; A1042-I1046 HydrophobicContact CB-CD1 3.95Å; A1042-I1046 HydrophobicContact CB-CG1 4.21Å; A1042-I1046 WeakPolarHBondContact O-CG1 3.38Å; A1042-I1046 PolarHBondContact O-N 3.35Å; A1043-I1046 PolarHBondContact O-N 3.13Å; I1046-S1048 PolarHBondContact O-N 3.01Å; I1046-R1049 PolarHBondContact O-N 3.24Å; I1046-L1050 HydrophobicContact CG2-CD1 3.77Å; I1046-L1050 HydrophobicContact CG2-CG 4.36Å; I1046-L1050 WeakPolarHBondContact O-CB 3.45Å; I1046-L1050 VanDerWaalsContact O-CG 3.31Å; I1046-L1050 WeakPolarHBondContact O-CG 3.39Å; I1046-L1050 PolarHBondContact O-N 3.02Å; I1046-V1179 HydrophobicContact CG2-CG1 4.06Å |
| 1047 | R | 83.5 | Confident | 82.5 | Confident | 13 Ų | 13 | 16.6 Ų | 16.6 | 5% | 0.049 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 179.5 | -66.1 | -178.9 | 75.9 | 97.6 | 2 | 111.5 | A1043 I1045 R1049 L1050 T1051 Q1118 V1179 L1180 N1182 | A1043-R1047 VanDerWaalsContact O-CB 3.23Å; A1043-R1047 WeakPolarHBondContact O-CB 3.35Å; A1043-R1047 WeakPolarHBondContact O-CG 3.3Å; A1043-R1047 PolarHBondContact O-N 3.13Å; I1045-R1047 VanDerWaalsContact C-N 3.35Å; I1045-R1047 PolarHBondContact O-N 3.11Å; R1047-R1049 VanDerWaalsContact C-N 3.33Å; R1047-R1049 PolarHBondContact O-N 3.04Å; R1047-L1050 PolarHBondContact O-N 3.16Å; R1047-T1051 VanDerWaalsContact O-CB 3.25Å; R1047-T1051 WeakPolarHBondContact O-CB 3.22Å; R1047-T1051 PolarHBondContact O-N 2.97Å; R1047-T1051 PolarHBondContact O-OG1 3.14Å; R1047-Q1118 VanDerWaalsContact CZ-OE1 3.23Å; R1047-V1179 HydrophobicContact CG-CG1 4.17Å; R1047-V1179 PolarHBondContact NH1-O 3.21Å; R1047-L1180 HydrophobicContact CB-CD2 3.78Å; R1047-L1180 HydrophobicContact CG-CD2 3.92Å; R1047-L1180 PolarHBondContact NH2-O 3.11Å; R1047-N1182 PolarHBondContact NH1-O 3.02Å |
| 1048 | S | 81.6 | Confident | 82.8 | Confident | 5.6 Ų | 5.6 | 16 Ų | 16 | 4% | 0.039 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 177.2 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | P1044 I1045 I1046 T1051 K1052 Y1113 | P1044-S1048 VanDerWaalsContact O-CB 3.23Å; P1044-S1048 WeakPolarHBondContact O-CB 3.32Å; P1044-S1048 PolarHBondContact O-N 3.29Å; P1044-S1048 VanDerWaalsContact O-N 3.11Å; I1045-S1048 PolarHBondContact O-N 2.94Å; I1046-S1048 PolarHBondContact O-N 3.01Å; S1048-T1051 PolarHBondContact O-N 3.04Å; S1048-K1052 VanDerWaalsContact O-CG 3.32Å; S1048-K1052 WeakPolarHBondContact O-CG 3.33Å; S1048-K1052 PolarHBondContact O-N 2.94Å; S1048-Y1113 VanDerWaalsContact OG-CE1 3.24Å; S1048-Y1113 WeakPolarHBondContact OG-CE1 3.39Å; S1048-Y1113 PolarHBondContact OG-OH 3.18Å |
| 1049 | R | 82 | Confident | 82.9 | Confident | 67.4 Ų | 67.4 | 17.7 Ų | 17.7 | 25% | 0.254 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -69.5 | -44 | 179.6 | -70.2 | -172.4 | 180 | 166.1 | -1.4 | 112.2 | D933 I936 D973 I1045 I1046 R1047 T1051 K1052 G1053 | D933-R1049 HydrophobicContact CB-CB 4.46Å; D933-R1049 WeakPolarHBondContact OD2-CD 3.47Å; D933-R1049 IonicContact OD2-CZ 3.2Å; D933-R1049 IonicContact OD2-NE 3.06Å; D933-R1049 PolarHBondContact OD2-NE 3.36Å; D933-R1049 IonicContact OD2-NH1 3.34Å; D933-R1049 PolarHBondContact OD2-NH1 3.23Å; I936-R1049 HydrophobicContact CD1-CB 3.58Å; I936-R1049 VanDerWaalsContact CD1-CB 3.46Å; I936-R1049 HydrophobicContact CD1-CG 4.31Å; D973-R1049 IonicContact OD1-CZ 3.33Å; D973-R1049 IonicContact OD1-NH1 2.68Å; D973-R1049 IonicContact OD1-NH2 3.21Å; D973-R1049 PolarHBondContact OD1-NH2 3.15Å; D973-R1049 VanDerWaalsContact OD1-NH2 3.07Å; D973-R1049 IonicContact OD2-CZ 3.22Å; D973-R1049 VanDerWaalsContact OD2-CZ 3.25Å; D973-R1049 IonicContact OD2-NH1 3.17Å; D973-R1049 PolarHBondContact OD2-NH1 3.02Å; D973-R1049 IonicContact OD2-NH2 3.38Å; D973-R1049 PolarHBondContact OD2-NH2 3.17Å; I1045-R1049 HydrophobicContact CG2-CG 4.39Å; I1045-R1049 WeakPolarHBondContact O-CB 3.23Å; I1045-R1049 WeakPolarHBondContact O-CG 3.38Å; I1045-R1049 PolarHBondContact O-N 3.16Å; I1046-R1049 PolarHBondContact O-N 3.24Å; R1047-R1049 VanDerWaalsContact C-N 3.33Å; R1047-R1049 PolarHBondContact O-N 3.04Å; R1049-T1051 VanDerWaalsContact C-N 3.3Å; R1049-T1051 PolarHBondContact O-N 3.17Å; R1049-K1052 PolarHBondContact O-N 3.37Å; R1049-G1053 PolarHBondContact O-N 3.03Å |
| 1050 | L | 84.2 | Confident | 83.2 | Confident | 9 Ų | 9 | 16 Ų | 16 | 5% | 0.047 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 172.9 | -71.6 | 174.5 | 0 | 0 | 0 | 111.6 | I936 M937 I1046 R1047 K1052 G1053 L1054 V1179 L1180 | I936-L1050 HydrophobicContact CD1-CG 4.4Å; I936-L1050 HydrophobicContact CG2-CD1 4.43Å; I936-L1050 HydrophobicContact CG2-CD2 3.98Å; I936-L1050 HydrophobicContact CG2-CG 4.25Å; M937-L1050 HydrophobicContact CE-CD2 3.86Å; I1046-L1050 HydrophobicContact CG2-CD1 3.77Å; I1046-L1050 HydrophobicContact CG2-CG 4.36Å; I1046-L1050 WeakPolarHBondContact O-CB 3.45Å; I1046-L1050 VanDerWaalsContact O-CG 3.31Å; I1046-L1050 WeakPolarHBondContact O-CG 3.39Å; I1046-L1050 PolarHBondContact O-N 3.02Å; R1047-L1050 PolarHBondContact O-N 3.16Å; L1050-K1052 PolarHBondContact O-N 3.34Å; L1050-G1053 PolarHBondContact O-N 3.11Å; L1050-L1054 VanDerWaalsContact O-CB 3.3Å; L1050-L1054 WeakPolarHBondContact O-CB 3.4Å; L1050-L1054 PolarHBondContact O-N 3.05Å; L1050-V1179 HydrophobicContact CD1-CB 3.63Å; L1050-V1179 HydrophobicContact CD1-CG1 3.9Å; L1050-V1179 HydrophobicContact CD1-CG2 3.8Å; L1050-L1180 HydrophobicContact CB-CD1 4.39Å; L1050-L1180 HydrophobicContact CB-CD2 4.45Å; L1050-L1180 HydrophobicContact CB-CG 4.41Å |
| 1051 | T | 85.3 | Confident | 83.7 | Confident | 0.6 Ų | 0.6 | 15.7 Ų | 15.7 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | R1047 S1048 R1049 L1054 E1055 A1108 P1112 Q1118 L1121 | R1047-T1051 VanDerWaalsContact O-CB 3.25Å; R1047-T1051 WeakPolarHBondContact O-CB 3.22Å; R1047-T1051 PolarHBondContact O-N 2.97Å; R1047-T1051 PolarHBondContact O-OG1 3.14Å; S1048-T1051 PolarHBondContact O-N 3.04Å; R1049-T1051 VanDerWaalsContact C-N 3.3Å; R1049-T1051 PolarHBondContact O-N 3.17Å; T1051-L1054 PolarHBondContact O-N 3.34Å; T1051-E1055 VanDerWaalsContact O-CB 3.24Å; T1051-E1055 WeakPolarHBondContact O-CB 3.4Å; T1051-E1055 PolarHBondContact O-N 3.03Å; T1051-A1108 HydrophobicContact CG2-CB 3.99Å; T1051-P1112 HydrophobicContact CG2-CB 4.14Å; T1051-P1112 PolarHBondContact OG1-O 3.21Å; T1051-Q1118 HydrophobicContact CG2-CG 4.06Å; T1051-Q1118 VanDerWaalsContact OG1-CG 3.31Å; T1051-Q1118 WeakPolarHBondContact OG1-CG 3.42Å; T1051-Q1118 PolarHBondContact OG1-NE2 3.11Å; T1051-L1121 HydrophobicContact CG2-CD2 4.01Å |
| 1052 | K | 82.7 | Confident | 84.1 | Confident | 105.6 Ų | 105.6 | 15.7 Ų | 15.7 | 46% | 0.459 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.8 | -72.2 | 171.7 | -176.4 | 179 | 0 | 112.1 | S1048 R1049 L1050 E1055 F1056 P1112 | S1048-K1052 VanDerWaalsContact O-CG 3.32Å; S1048-K1052 WeakPolarHBondContact O-CG 3.33Å; S1048-K1052 PolarHBondContact O-N 2.94Å; R1049-K1052 PolarHBondContact O-N 3.37Å; L1050-K1052 PolarHBondContact O-N 3.34Å; K1052-E1055 PolarHBondContact O-N 3.34Å; K1052-F1056 WeakPolarHBondContact O-CB 3.32Å; K1052-F1056 PolarHBondContact O-N 3.24Å; K1052-P1112 HydrophobicContact CG-CB 4.4Å |
| 1053 | G | 83.3 | Confident | 84.3 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 5% | 0.052 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1049 L1050 F1056 A1057 C1172 | R1049-G1053 PolarHBondContact O-N 3.03Å; L1050-G1053 PolarHBondContact O-N 3.11Å; G1053-F1056 PolarHBondContact O-N 2.9Å; G1053-A1057 WeakPolarHBondContact O-CB 3.18Å; G1053-A1057 PolarHBondContact O-N 3.08Å; G1053-C1172 VanDerWaalsContact C-SG 3.54Å; G1053-C1172 PolarHBondContact O-SG 3.36Å |
| 1054 | L | 88.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | 176.3 | -177.9 | 62.4 | 0 | 0 | 0 | 111.8 | L1050 T1051 F1056 A1057 T1058 L1121 L1122 L1169 C1172 F1173 L1180 | L1050-L1054 VanDerWaalsContact O-CB 3.3Å; L1050-L1054 WeakPolarHBondContact O-CB 3.4Å; L1050-L1054 PolarHBondContact O-N 3.05Å; T1051-L1054 PolarHBondContact O-N 3.34Å; L1054-F1056 VanDerWaalsContact C-N 3.33Å; L1054-F1056 PolarHBondContact O-N 3.41Å; L1054-A1057 PolarHBondContact O-N 3.2Å; L1054-T1058 HydrophobicContact CD1-CG2 3.9Å; L1054-T1058 HydrophobicContact CG-CG2 4.13Å; L1054-T1058 VanDerWaalsContact O-CB 3.26Å; L1054-T1058 WeakPolarHBondContact O-CB 3.32Å; L1054-T1058 WeakPolarHBondContact O-CG2 3.24Å; L1054-T1058 PolarHBondContact O-N 3.15Å; L1054-T1058 PolarHBondContact O-OG1 3.25Å; L1054-L1121 HydrophobicContact CB-CD2 4.16Å; L1054-L1121 HydrophobicContact CD2-CD2 3.92Å; L1054-L1121 HydrophobicContact CD2-CG 3.99Å; L1054-L1121 HydrophobicContact CG-CD2 3.95Å; L1054-L1121 HydrophobicContact CG-CG 4.17Å; L1054-L1122 HydrophobicContact CD2-CD2 3.67Å; L1054-L1122 HydrophobicContact CD2-CG 4.21Å; L1054-L1169 HydrophobicContact CD1-CD1 4.13Å; L1054-C1172 HydrophobicContact CD1-CB 4.39Å; L1054-F1173 HydrophobicContact CD1-CB 4.32Å; L1054-F1173 HydrophobicContact CD1-CD2 4.36Å; L1054-L1180 HydrophobicContact CD2-CD1 4.24Å |
| 1055 | E | 87.9 | Confident | 84.9 | Confident | 12.4 Ų | 12.4 | 16.5 Ų | 16.5 | 6% | 0.058 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 176.4 | -178.7 | -89.2 | 162 | 0 | 0 | 111.1 | T1051 K1052 T1058 R1059 C1105 A1108 R1109 L1121 | T1051-E1055 VanDerWaalsContact O-CB 3.24Å; T1051-E1055 WeakPolarHBondContact O-CB 3.4Å; T1051-E1055 PolarHBondContact O-N 3.03Å; K1052-E1055 PolarHBondContact O-N 3.34Å; E1055-T1058 VanDerWaalsContact C-OG1 3.32Å; E1055-T1058 VanDerWaalsContact CA-OG1 3.27Å; E1055-T1058 WeakPolarHBondContact CA-OG1 3.43Å; E1055-T1058 PolarHBondContact O-N 3.43Å; E1055-T1058 PolarHBondContact O-OG1 3.04Å; E1055-R1059 VanDerWaalsContact O-CB 3.27Å; E1055-R1059 WeakPolarHBondContact O-CB 3.4Å; E1055-R1059 PolarHBondContact O-N 3.15Å; E1055-R1059 IonicContact OE1-CZ 3.28Å; E1055-R1059 IonicContact OE1-NE 3.09Å; E1055-R1059 PolarHBondContact OE1-NE 2.93Å; E1055-R1059 IonicContact OE1-NH1 2.72Å; E1055-R1059 PolarHBondContact OE1-NH1 3.06Å; E1055-R1059 IonicContact OE1-NH2 3.21Å; E1055-R1059 PolarHBondContact OE1-NH2 3.06Å; E1055-R1059 IonicContact OE2-CZ 2.69Å; E1055-R1059 IonicContact OE2-NE 3.34Å; E1055-R1059 IonicContact OE2-NH1 3.21Å; E1055-R1059 IonicContact OE2-NH2 3.07Å; E1055-R1059 PolarHBondContact OE2-NH2 2.65Å; E1055-C1105 HydrophobicContact CG-CB 4.03Å; E1055-C1105 VanDerWaalsContact CG-O 3.29Å; E1055-C1105 WeakPolarHBondContact CG-O 3.34Å; E1055-A1108 HydrophobicContact CB-CB 4.44Å; E1055-A1108 HydrophobicContact CG-CB 4.26Å; E1055-R1109 VanDerWaalsContact CD-NE 3.28Å; E1055-R1109 HydrophobicContact CG-CB 4.3Å; E1055-R1109 WeakPolarHBondContact OE1-CB 3.24Å; E1055-R1109 IonicContact OE1-CZ 3.14Å; E1055-R1109 VanDerWaalsContact OE1-CZ 3.25Å; E1055-R1109 IonicContact OE1-NE 3.13Å; E1055-R1109 PolarHBondContact OE1-NE 2.92Å; E1055-R1109 IonicContact OE1-NH1 3.55Å; E1055-R1109 IonicContact OE1-NH2 2.72Å; E1055-R1109 PolarHBondContact OE1-NH2 3.11Å; E1055-R1109 WeakPolarHBondContact OE2-CG 3.41Å; E1055-R1109 IonicContact OE2-NE 4Å; E1055-R1109 PolarHBondContact OE2-NE 2.76Å; E1055-R1109 VanDerWaalsContact OE2-NE 3.13Å; E1055-L1121 HydrophobicContact CB-CD2 4.05Å |
| 1056 | F | 84.6 | Confident | 85.2 | Confident | 18.6 Ų | 18.6 | 17.2 Ų | 17.2 | 8% | 0.082 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.3 | -49.3 | 177.3 | -177.8 | -95.9 | 0 | 0 | 0 | 112 | E846 I928 H931 K1052 G1053 L1054 T1058 R1059 L1060 | E846-F1056 HydrophobicContact CB-CE2 4.42Å; E846-F1056 HydrophobicContact CB-CZ 3.9Å; E846-F1056 HydrophobicContact CG-CE2 4.02Å; E846-F1056 HydrophobicContact CG-CZ 3.78Å; E846-F1056 WeakPolarHBondContact OE2-CE2 3.26Å; I928-F1056 HydrophobicContact CB-CE1 4.35Å; I928-F1056 HydrophobicContact CG1-CD1 4.18Å; I928-F1056 HydrophobicContact CG1-CE1 3.83Å; H931-F1056 HydrophobicContact CB-CB 4.32Å; H931-F1056 HydrophobicContact CB-CD1 4.12Å; H931-F1056 HydrophobicContact CB-CE1 4.47Å; H931-F1056 HydrophobicContact CB-CG 4.36Å; H931-F1056 AromaticContact CD2-CD1 3.58Å; H931-F1056 AromaticContact CD2-CD2 3.61Å; H931-F1056 VanDerWaalsContact CD2-CD2 3.45Å; H931-F1056 WeakPolarHBondContact CD2-CD2 3.24Å; H931-F1056 AromaticContact CD2-CE1 3.4Å; H931-F1056 WeakPolarHBondContact CD2-CE1 3.42Å; H931-F1056 AromaticContact CD2-CE2 3.75Å; H931-F1056 AromaticContact CD2-CG 3.5Å; H931-F1056 WeakPolarHBondContact CD2-CG 3.36Å; H931-F1056 AromaticContact CD2-CZ 3.51Å; H931-F1056 WeakPolarHBondContact CD2-CZ 3.36Å; H931-F1056 AromaticContact CE1-CE2 3.95Å; H931-F1056 AromaticContact CE1-CZ 3.99Å; H931-F1056 AromaticContact CG-CD1 3.81Å; H931-F1056 AromaticContact CG-CE1 3.99Å; H931-F1056 AromaticContact CG-CG 3.83Å; H931-F1056 AromaticContact NE2-CD2 3.54Å; H931-F1056 WeakPolarHBondContact NE2-CD2 3.25Å; H931-F1056 AromaticContact NE2-CE1 3.8Å; H931-F1056 AromaticContact NE2-CE2 3.55Å; H931-F1056 WeakPolarHBondContact NE2-CE2 3.41Å; H931-F1056 AromaticContact NE2-CG 3.93Å; H931-F1056 AromaticContact NE2-CZ 3.64Å; H931-F1056 WeakPolarHBondContact NE2-CZ 3.42Å; K1052-F1056 WeakPolarHBondContact O-CB 3.32Å; K1052-F1056 PolarHBondContact O-N 3.24Å; G1053-F1056 PolarHBondContact O-N 2.9Å; L1054-F1056 VanDerWaalsContact C-N 3.33Å; L1054-F1056 PolarHBondContact O-N 3.41Å; F1056-T1058 VanDerWaalsContact C-N 3.32Å; F1056-T1058 PolarHBondContact O-N 3.17Å; F1056-R1059 PolarHBondContact O-N 3.23Å; F1056-L1060 HydrophobicContact CE1-CD2 4.31Å; F1056-L1060 HydrophobicContact CZ-CD2 4.47Å; F1056-L1060 VanDerWaalsContact O-CB 3.27Å; F1056-L1060 WeakPolarHBondContact O-CB 3.34Å; F1056-L1060 PolarHBondContact O-N 3.08Å |
| 1057 | A | 86.3 | Confident | 85.5 | Confident | 0.4 Ų | 0.4 | 18 Ų | 18 | 0% | 0.003 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I928 G1053 L1054 T1061 L1169 C1172 | I928-A1057 HydrophobicContact CG2-CB 4.11Å; G1053-A1057 WeakPolarHBondContact O-CB 3.18Å; G1053-A1057 PolarHBondContact O-N 3.08Å; L1054-A1057 PolarHBondContact O-N 3.2Å; A1057-T1061 WeakPolarHBondContact O-CB 3.31Å; A1057-T1061 PolarHBondContact O-N 3.13Å; A1057-T1061 VanDerWaalsContact O-N 3.1Å; A1057-T1061 PolarHBondContact O-OG1 3.17Å; A1057-L1169 HydrophobicContact CB-CD1 4.03Å; A1057-C1172 HydrophobicContact CB-CB 3.97Å; A1057-C1172 VanDerWaalsContact CB-SG 3.57Å |
| 1058 | T | 89.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.1 | -45.2 | 177.3 | -39.5 | 0 | 0 | 0 | 0 | 111.2 | L1054 E1055 F1056 T1061 A1062 V1101 C1105 L1121 S1125 L1128 L1169 | L1054-T1058 HydrophobicContact CD1-CG2 3.9Å; L1054-T1058 HydrophobicContact CG-CG2 4.13Å; L1054-T1058 VanDerWaalsContact O-CB 3.26Å; L1054-T1058 WeakPolarHBondContact O-CB 3.32Å; L1054-T1058 WeakPolarHBondContact O-CG2 3.24Å; L1054-T1058 PolarHBondContact O-N 3.15Å; L1054-T1058 PolarHBondContact O-OG1 3.25Å; E1055-T1058 VanDerWaalsContact C-OG1 3.32Å; E1055-T1058 VanDerWaalsContact CA-OG1 3.27Å; E1055-T1058 WeakPolarHBondContact CA-OG1 3.43Å; E1055-T1058 PolarHBondContact O-N 3.43Å; E1055-T1058 PolarHBondContact O-OG1 3.04Å; F1056-T1058 VanDerWaalsContact C-N 3.32Å; F1056-T1058 PolarHBondContact O-N 3.17Å; T1058-T1061 PolarHBondContact O-N 3.07Å; T1058-A1062 VanDerWaalsContact O-CB 3.31Å; T1058-A1062 WeakPolarHBondContact O-CB 3.35Å; T1058-A1062 PolarHBondContact O-N 3.29Å; T1058-V1101 HydrophobicContact CG2-CG1 3.74Å; T1058-C1105 PolarHBondContact OG1-SG 3.44Å; T1058-L1121 HydrophobicContact CG2-CD1 4.49Å; T1058-S1125 WeakPolarHBondContact OG1-CB 3.29Å; T1058-L1128 HydrophobicContact CG2-CD2 3.95Å; T1058-L1169 HydrophobicContact CG2-CD1 4.09Å; T1058-L1169 HydrophobicContact CG2-CG 4.26Å; T1058-L1169 WeakPolarHBondContact OG1-CD1 3.38Å |
| 1059 | R | 87.1 | Confident | 86 | Confident | 35.8 Ų | 35.8 | 17.8 Ų | 17.8 | 14% | 0.135 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.7 | -48.9 | 175.4 | -179.8 | 175.7 | 19.9 | 140.7 | 4.3 | 111.5 | E846 E1055 F1056 T1061 A1062 D1063 C1105 N1106 R1109 | E846-R1059 IonicContact OE2-CZ 3.53Å; E846-R1059 IonicContact OE2-NH1 3.7Å; E846-R1059 PolarHBondContact OE2-NH1 3.36Å; E846-R1059 IonicContact OE2-NH2 3.68Å; E846-R1059 PolarHBondContact OE2-NH2 3.38Å; E1055-R1059 VanDerWaalsContact O-CB 3.27Å; E1055-R1059 WeakPolarHBondContact O-CB 3.4Å; E1055-R1059 PolarHBondContact O-N 3.15Å; E1055-R1059 IonicContact OE1-CZ 3.28Å; E1055-R1059 IonicContact OE1-NE 3.09Å; E1055-R1059 PolarHBondContact OE1-NE 2.93Å; E1055-R1059 IonicContact OE1-NH1 2.72Å; E1055-R1059 PolarHBondContact OE1-NH1 3.06Å; E1055-R1059 IonicContact OE1-NH2 3.21Å; E1055-R1059 PolarHBondContact OE1-NH2 3.06Å; E1055-R1059 IonicContact OE2-CZ 2.69Å; E1055-R1059 IonicContact OE2-NE 3.34Å; E1055-R1059 IonicContact OE2-NH1 3.21Å; E1055-R1059 IonicContact OE2-NH2 3.07Å; E1055-R1059 PolarHBondContact OE2-NH2 2.65Å; F1056-R1059 PolarHBondContact O-N 3.23Å; R1059-T1061 VanDerWaalsContact C-N 3.25Å; R1059-T1061 PolarHBondContact O-N 3.03Å; R1059-A1062 CarbonylContact O-C 3.46Å; R1059-A1062 WeakPolarHBondContact O-CA 3.35Å; R1059-A1062 WeakPolarHBondContact O-CB 3.38Å; R1059-A1062 PolarHBondContact O-N 3.19Å; R1059-A1062 VanDerWaalsContact O-N 3.07Å; R1059-D1063 WeakPolarHBondContact CG-OD2 3.41Å; R1059-D1063 IonicContact NH1-OD2 3.78Å; R1059-D1063 VanDerWaalsContact O-CG 3.27Å; R1059-D1063 PolarHBondContact O-N 3.1Å; R1059-C1105 PolarHBondContact NH2-O 2.99Å; R1059-N1106 PolarHBondContact NH2-OD1 2.52Å; R1059-R1109 VanDerWaalsContact CD-NH2 3.32Å; R1059-R1109 VanDerWaalsContact NH2-NH1 3.12Å |
| 1060 | L | 85.4 | Confident | 86.2 | Confident | 4.4 Ų | 4.4 | 17 Ų | 17 | 2% | 0.023 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61 | -36.7 | 179.6 | -175.3 | 67.4 | 0 | 0 | 0 | 112.1 | E846 Q847 I928 F1056 D1063 N1064 | E846-L1060 HydrophobicContact CB-CD1 3.86Å; E846-L1060 HydrophobicContact CB-CD2 4.21Å; E846-L1060 WeakPolarHBondContact O-CD1 3.43Å; E846-L1060 VanDerWaalsContact O-CD2 3.26Å; E846-L1060 WeakPolarHBondContact O-CD2 3.38Å; Q847-L1060 HydrophobicContact CG-CD1 4.13Å; Q847-L1060 VanDerWaalsContact NE2-CD1 3.28Å; I928-L1060 HydrophobicContact CD1-CD2 3.49Å; I928-L1060 HydrophobicContact CG1-CD2 3.58Å; F1056-L1060 HydrophobicContact CE1-CD2 4.31Å; F1056-L1060 HydrophobicContact CZ-CD2 4.47Å; F1056-L1060 VanDerWaalsContact O-CB 3.27Å; F1056-L1060 WeakPolarHBondContact O-CB 3.34Å; F1056-L1060 PolarHBondContact O-N 3.08Å; L1060-D1063 PolarHBondContact O-N 2.96Å; L1060-N1064 PolarHBondContact O-N 3.24Å; L1060-N1064 VanDerWaalsContact O-N 3.13Å; L1060-N1064 PolarHBondContact O-ND2 3.15Å |
| 1061 | T | 88.4 | Confident | 86.3 | Confident | 1.2 Ų | 1.2 | 16.8 Ų | 16.8 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.7 | -42.8 | 174.2 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | A1057 T1058 R1059 D1063 N1064 V1065 L1128 L1132 C1165 L1169 | A1057-T1061 WeakPolarHBondContact O-CB 3.31Å; A1057-T1061 PolarHBondContact O-N 3.13Å; A1057-T1061 VanDerWaalsContact O-N 3.1Å; A1057-T1061 PolarHBondContact O-OG1 3.17Å; T1058-T1061 PolarHBondContact O-N 3.07Å; R1059-T1061 VanDerWaalsContact C-N 3.25Å; R1059-T1061 PolarHBondContact O-N 3.03Å; T1061-D1063 VanDerWaalsContact C-N 3.33Å; T1061-D1063 PolarHBondContact O-N 3.24Å; T1061-N1064 PolarHBondContact O-N 3.11Å; T1061-N1064 VanDerWaalsContact O-N 3.16Å; T1061-V1065 WeakPolarHBondContact O-CG2 3.19Å; T1061-V1065 PolarHBondContact O-N 2.87Å; T1061-V1065 VanDerWaalsContact O-N 3.15Å; T1061-L1128 HydrophobicContact CG2-CD2 4.1Å; T1061-L1128 HydrophobicContact CG2-CG 4.47Å; T1061-L1132 HydrophobicContact CG2-CD1 3.42Å; T1061-L1132 VanDerWaalsContact CG2-CD1 3.42Å; T1061-C1165 HydrophobicContact CG2-CB 4.4Å; T1061-C1165 PolarHBondContact OG1-O 3.09Å; T1061-L1169 HydrophobicContact CG2-CD1 3.93Å; T1061-L1169 HydrophobicContact CG2-CD2 4.01Å; T1061-L1169 VanDerWaalsContact OG1-CD1 3.31Å; T1061-L1169 WeakPolarHBondContact OG1-CD1 3.36Å |
| 1062 | A | 88 | Confident | 86.4 | Confident | 3 Ų | 3 | 16.8 Ų | 16.8 | 3% | 0.025 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1058 R1059 N1064 V1065 M1098 V1101 L1128 | T1058-A1062 VanDerWaalsContact O-CB 3.31Å; T1058-A1062 WeakPolarHBondContact O-CB 3.35Å; T1058-A1062 PolarHBondContact O-N 3.29Å; R1059-A1062 CarbonylContact O-C 3.46Å; R1059-A1062 WeakPolarHBondContact O-CA 3.35Å; R1059-A1062 WeakPolarHBondContact O-CB 3.38Å; R1059-A1062 PolarHBondContact O-N 3.19Å; R1059-A1062 VanDerWaalsContact O-N 3.07Å; A1062-N1064 VanDerWaalsContact C-N 3.32Å; A1062-N1064 PolarHBondContact O-N 3.15Å; A1062-N1064 VanDerWaalsContact O-N 3.15Å; A1062-V1065 VanDerWaalsContact O-CB 3.27Å; A1062-V1065 WeakPolarHBondContact O-CB 3.3Å; A1062-V1065 WeakPolarHBondContact O-CG2 3.5Å; A1062-V1065 PolarHBondContact O-N 3.06Å; A1062-V1065 VanDerWaalsContact O-N 3.11Å; A1062-M1098 HydrophobicContact CB-CE 3.95Å; A1062-M1098 HydrophobicContact CB-SD 3.86Å; A1062-M1098 VanDerWaalsContact O-CE 3.32Å; A1062-M1098 WeakPolarHBondContact O-CE 3.36Å; A1062-V1101 HydrophobicContact CB-CG1 3.93Å; A1062-L1128 HydrophobicContact CB-CD2 4.47Å |
| 1063 | D | 84.3 | Confident | 86.6 | Confident | 45.6 Ų | 45.6 | 13.4 Ų | 13.4 | 24% | 0.244 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.5 | -23.1 | 177.2 | -68.9 | -24.5 | 0 | 0 | 0 | 112.3 | S576 R1059 L1060 T1061 V1065 G1066 P1067 | S576-D1063 VanDerWaalsContact CA-O 3.28Å; S576-D1063 WeakPolarHBondContact CA-O 3.33Å; S576-D1063 VanDerWaalsContact CB-O 3.22Å; S576-D1063 WeakPolarHBondContact CB-O 3.36Å; S576-D1063 VanDerWaalsContact OG-C 3.3Å; S576-D1063 PolarHBondContact OG-O 3Å; R1059-D1063 WeakPolarHBondContact CG-OD2 3.41Å; R1059-D1063 IonicContact NH1-OD2 3.78Å; R1059-D1063 VanDerWaalsContact O-CG 3.27Å; R1059-D1063 PolarHBondContact O-N 3.1Å; L1060-D1063 PolarHBondContact O-N 2.96Å; T1061-D1063 VanDerWaalsContact C-N 3.33Å; T1061-D1063 PolarHBondContact O-N 3.24Å; D1063-V1065 VanDerWaalsContact C-N 3.27Å; D1063-V1065 PolarHBondContact O-N 3.19Å; D1063-G1066 PolarHBondContact O-N 3.24Å; D1063-P1067 VanDerWaalsContact O-CD 3.26Å; D1063-P1067 WeakPolarHBondContact O-CD 3.39Å |
| 1064 | N | 84.9 | Confident | 86.6 | Confident | 3.4 Ų | 3.4 | 15.1 Ų | 15.1 | 2% | 0.018 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10 | 173.3 | -74.6 | -68.5 | 0 | 0 | 0 | 113.9 | Q847 L1060 T1061 A1062 G1066 P1067 L1068 N1161 T1162 C1165 | Q847-N1064 PolarHBondContact NE2-ND2 3.36Å; Q847-N1064 VanDerWaalsContact NE2-ND2 3.13Å; Q847-N1064 PolarHBondContact NE2-OD1 3.18Å; Q847-N1064 PolarHBondContact OE1-ND2 3.17Å; Q847-N1064 PolarHBondContact OE1-OD1 3.1Å; L1060-N1064 PolarHBondContact O-N 3.24Å; L1060-N1064 VanDerWaalsContact O-N 3.13Å; L1060-N1064 PolarHBondContact O-ND2 3.15Å; T1061-N1064 PolarHBondContact O-N 3.11Å; T1061-N1064 VanDerWaalsContact O-N 3.16Å; A1062-N1064 VanDerWaalsContact C-N 3.32Å; A1062-N1064 PolarHBondContact O-N 3.15Å; A1062-N1064 VanDerWaalsContact O-N 3.15Å; N1064-G1066 VanDerWaalsContact C-N 3.3Å; N1064-G1066 PolarHBondContact O-N 3.02Å; N1064-P1067 WeakPolarHBondContact O-CD 3.39Å; N1064-L1068 WeakPolarHBondContact O-CB 3.24Å; N1064-L1068 PolarHBondContact O-N 2.95Å; N1064-N1161 PolarHBondContact ND2-ND2 2.92Å; N1064-N1161 PolarHBondContact OD1-ND2 3.11Å; N1064-T1162 HydrophobicContact CB-CG2 3.67Å; N1064-T1162 VanDerWaalsContact CB-CG2 3.45Å; N1064-T1162 VanDerWaalsContact O-CG2 3.27Å; N1064-T1162 WeakPolarHBondContact O-CG2 3.38Å; N1064-C1165 PolarHBondContact ND2-SG 3.16Å; N1064-C1165 VanDerWaalsContact ND2-SG 3.43Å |
| 1065 | V | 86.5 | Confident | 86.4 | Confident | 4.4 Ų | 4.4 | 15.1 Ų | 15.1 | 3% | 0.027 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.1 | -33.9 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | T1061 A1062 D1063 L1068 A1069 L1093 M1098 L1128 L1132 | T1061-V1065 WeakPolarHBondContact O-CG2 3.19Å; T1061-V1065 PolarHBondContact O-N 2.87Å; T1061-V1065 VanDerWaalsContact O-N 3.15Å; A1062-V1065 VanDerWaalsContact O-CB 3.27Å; A1062-V1065 WeakPolarHBondContact O-CB 3.3Å; A1062-V1065 WeakPolarHBondContact O-CG2 3.5Å; A1062-V1065 PolarHBondContact O-N 3.06Å; A1062-V1065 VanDerWaalsContact O-N 3.11Å; D1063-V1065 VanDerWaalsContact C-N 3.27Å; D1063-V1065 PolarHBondContact O-N 3.19Å; V1065-L1068 WeakPolarHBondContact O-CB 3.36Å; V1065-L1068 PolarHBondContact O-N 3.29Å; V1065-L1068 VanDerWaalsContact O-N 3.12Å; V1065-A1069 WeakPolarHBondContact O-CB 3.37Å; V1065-A1069 PolarHBondContact O-N 3.08Å; V1065-L1093 HydrophobicContact CB-CD2 4.39Å; V1065-L1093 HydrophobicContact CG1-CD1 4.45Å; V1065-L1093 HydrophobicContact CG1-CD2 3.41Å; V1065-L1093 HydrophobicContact CG1-CG 3.77Å; V1065-L1093 HydrophobicContact CG2-CD1 4.42Å; V1065-L1093 HydrophobicContact CG2-CD2 4.18Å; V1065-M1098 HydrophobicContact CB-CE 4.1Å; V1065-M1098 HydrophobicContact CB-SD 4.19Å; V1065-M1098 HydrophobicContact CG1-CE 4.08Å; V1065-M1098 VanDerWaalsContact CG1-CE 3.47Å; V1065-M1098 HydrophobicContact CG1-CG 4.4Å; V1065-M1098 HydrophobicContact CG1-SD 4.25Å; V1065-M1098 HydrophobicContact CG2-CE 3.76Å; V1065-M1098 VanDerWaalsContact CG2-CE 3.43Å; V1065-M1098 HydrophobicContact CG2-SD 4.39Å; V1065-L1128 HydrophobicContact CG2-CD1 4.45Å; V1065-L1132 HydrophobicContact CG2-CD1 4.16Å; V1065-L1132 HydrophobicContact CG2-CD2 3.96Å; V1065-L1132 HydrophobicContact CG2-CG 4.43Å |
| 1066 | G | 85.4 | Confident | 86.3 | Confident | 24.4 Ų | 24.4 | 16.3 Ų | 16.3 | 25% | 0.252 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -56.1 | -55.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S576 H577 D1063 N1064 L1068 A1069 T1070 | S576-G1066 WeakPolarHBondContact OG-CA 3.36Å; S576-G1066 PolarHBondContact OG-N 2.72Å; H577-G1066 VanDerWaalsContact CE1-C 3.45Å; H577-G1066 PolarHBondContact CE1-O 3.27Å; D1063-G1066 PolarHBondContact O-N 3.24Å; N1064-G1066 VanDerWaalsContact C-N 3.3Å; N1064-G1066 PolarHBondContact O-N 3.02Å; G1066-L1068 VanDerWaalsContact C-N 3.32Å; G1066-L1068 PolarHBondContact O-N 3.03Å; G1066-A1069 WeakPolarHBondContact O-CB 3.37Å; G1066-A1069 PolarHBondContact O-N 2.95Å; G1066-T1070 WeakPolarHBondContact O-CB 3.2Å; G1066-T1070 WeakPolarHBondContact O-CG2 3.27Å; G1066-T1070 PolarHBondContact O-N 3.2Å; G1066-T1070 PolarHBondContact O-OG1 3.02Å; G1066-T1070 VanDerWaalsContact O-OG1 3.12Å |
| 1067 | P | 85.9 | Confident | 86.2 | Confident | 18.4 Ų | 18.4 | 22.4 Ų | 22.4 | 12% | 0.119 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.7 | -42.2 | 172.5 | -29 | 34.2 | 0 | 0 | 0 | 113.4 | S576 A580 N625 D1063 N1064 A1069 T1070 V1071 V1158 | S576-P1067 VanDerWaalsContact O-CG 3.27Å; S576-P1067 WeakPolarHBondContact O-CG 3.47Å; S576-P1067 WeakPolarHBondContact OG-CD 3.31Å; A580-P1067 HydrophobicContact CB-CB 3.76Å; A580-P1067 HydrophobicContact CB-CG 3.45Å; N625-P1067 WeakPolarHBondContact OD1-CA 3.34Å; D1063-P1067 VanDerWaalsContact O-CD 3.26Å; D1063-P1067 WeakPolarHBondContact O-CD 3.39Å; N1064-P1067 WeakPolarHBondContact O-CD 3.39Å; P1067-A1069 VanDerWaalsContact C-N 3.29Å; P1067-A1069 PolarHBondContact O-N 3.13Å; P1067-T1070 VanDerWaalsContact CA-OG1 3.31Å; P1067-T1070 WeakPolarHBondContact CA-OG1 3.34Å; P1067-T1070 PolarHBondContact O-N 3.16Å; P1067-T1070 PolarHBondContact O-OG1 3.02Å; P1067-V1071 WeakPolarHBondContact O-CB 3.34Å; P1067-V1071 WeakPolarHBondContact O-CG2 3.38Å; P1067-V1071 PolarHBondContact O-N 3.12Å; P1067-V1158 HydrophobicContact CB-CG1 4Å; P1067-V1158 HydrophobicContact CB-CG2 4.23Å |
| 1068 | L | 88.3 | Confident | 85.9 | Confident | 0.4 Ų | 0.4 | 26.2 Ų | 26.2 | 0% | 0.002 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 179.5 | -177.3 | 58.8 | 0 | 0 | 0 | 111.4 | N1064 V1065 G1066 G1072 L1132 L1135 L1136 L1155 V1158 T1159 T1162 | N1064-L1068 WeakPolarHBondContact O-CB 3.24Å; N1064-L1068 PolarHBondContact O-N 2.95Å; V1065-L1068 WeakPolarHBondContact O-CB 3.36Å; V1065-L1068 PolarHBondContact O-N 3.29Å; V1065-L1068 VanDerWaalsContact O-N 3.12Å; G1066-L1068 VanDerWaalsContact C-N 3.32Å; G1066-L1068 PolarHBondContact O-N 3.03Å; L1068-G1072 VanDerWaalsContact O-CA 3.27Å; L1068-G1072 WeakPolarHBondContact O-CA 3.32Å; L1068-G1072 PolarHBondContact O-N 3.32Å; L1068-L1132 HydrophobicContact CD2-CD2 4.43Å; L1068-L1135 HydrophobicContact CD2-CD2 3.44Å; L1068-L1135 VanDerWaalsContact CD2-CD2 3.48Å; L1068-L1135 HydrophobicContact CD2-CG 4.06Å; L1068-L1135 HydrophobicContact CG-CD2 4.06Å; L1068-L1136 HydrophobicContact CD2-CD2 4.29Å; L1068-L1155 HydrophobicContact CD1-CD1 4.27Å; L1068-V1158 VanDerWaalsContact CA-CG1 3.49Å; L1068-V1158 HydrophobicContact CB-CG1 3.75Å; L1068-V1158 HydrophobicContact CD1-CG1 4.13Å; L1068-V1158 HydrophobicContact CG-CG1 4.46Å; L1068-V1158 VanDerWaalsContact N-CG1 3.32Å; L1068-T1159 HydrophobicContact CD1-CG2 3.8Å; L1068-T1162 HydrophobicContact CB-CG2 4.23Å; L1068-T1162 HydrophobicContact CD2-CG2 4.17Å |
| 1069 | A | 87.7 | Confident | 85.3 | Confident | 13.4 Ų | 13.4 | 27.3 Ų | 27.3 | 11% | 0.111 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.9 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1065 G1066 P1067 G1073 L1090 Q1094 | V1065-A1069 WeakPolarHBondContact O-CB 3.37Å; V1065-A1069 PolarHBondContact O-N 3.08Å; G1066-A1069 WeakPolarHBondContact O-CB 3.37Å; G1066-A1069 PolarHBondContact O-N 2.95Å; P1067-A1069 VanDerWaalsContact C-N 3.29Å; P1067-A1069 PolarHBondContact O-N 3.13Å; A1069-G1073 WeakPolarHBondContact O-CA 3.42Å; A1069-G1073 PolarHBondContact O-N 3.05Å; A1069-L1090 HydrophobicContact CB-CD2 4.26Å; A1069-Q1094 HydrophobicContact CB-CG 4.29Å; A1069-Q1094 VanDerWaalsContact CB-NE2 3.27Å |
| 1070 | T | 87 | Confident | 84.5 | Confident | 50 Ų | 50 | 32.6 Ų | 32.6 | 31% | 0.307 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -70.5 | -48.8 | 177.9 | 11.8 | 0 | 0 | 0 | 0 | 111.8 | H577 M624 N625 G1066 P1067 E1074 | H577-T1070 PolarHBondContact CE1-OG1 3.25Å; M624-T1070 HydrophobicContact CB-CG2 4.15Å; M624-T1070 WeakPolarHBondContact O-CG2 3.5Å; N625-T1070 PolarHBondContact OD1-OG1 3.48Å; G1066-T1070 WeakPolarHBondContact O-CB 3.2Å; G1066-T1070 WeakPolarHBondContact O-CG2 3.27Å; G1066-T1070 PolarHBondContact O-N 3.2Å; G1066-T1070 PolarHBondContact O-OG1 3.02Å; G1066-T1070 VanDerWaalsContact O-OG1 3.12Å; P1067-T1070 VanDerWaalsContact CA-OG1 3.31Å; P1067-T1070 WeakPolarHBondContact CA-OG1 3.34Å; P1067-T1070 PolarHBondContact O-N 3.16Å; P1067-T1070 PolarHBondContact O-OG1 3.02Å; T1070-E1074 VanDerWaalsContact O-CB 3.32Å; T1070-E1074 WeakPolarHBondContact O-CB 3.35Å; T1070-E1074 PolarHBondContact O-N 3.17Å; T1070-E1074 VanDerWaalsContact O-N 3.13Å |
| 1071 | V | 86.6 | Confident | 83.6 | Confident | 5.6 Ų | 5.6 | 39.1 Ų | 39.1 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -43.4 | 179.4 | 180 | 0 | 0 | 0 | 0 | 110.3 | M624 P1067 G1073 E1074 V1075 A1154 L1155 V1158 | M624-V1071 HydrophobicContact SD-CB 4.3Å; M624-V1071 HydrophobicContact SD-CG1 4.21Å; M624-V1071 HydrophobicContact SD-CG2 3.95Å; P1067-V1071 WeakPolarHBondContact O-CB 3.34Å; P1067-V1071 WeakPolarHBondContact O-CG2 3.38Å; P1067-V1071 PolarHBondContact O-N 3.12Å; V1071-G1073 VanDerWaalsContact C-N 3.33Å; V1071-G1073 PolarHBondContact O-N 3.02Å; V1071-E1074 PolarHBondContact O-N 3.17Å; V1071-E1074 VanDerWaalsContact O-N 3.15Å; V1071-V1075 HydrophobicContact CG1-CG2 4.4Å; V1071-V1075 VanDerWaalsContact O-CG2 3.28Å; V1071-V1075 WeakPolarHBondContact O-CG2 3.42Å; V1071-V1075 PolarHBondContact O-N 3.07Å; V1071-A1154 HydrophobicContact CG1-CB 4.28Å; V1071-L1155 HydrophobicContact CG1-CB 3.96Å; V1071-L1155 HydrophobicContact CG1-CD1 4.16Å; V1071-V1158 HydrophobicContact CG2-CG2 4.33Å |
| 1072 | G | 86.7 | Confident | 82.6 | Confident | 0.4 Ų | 0.4 | 45.2 Ų | 45.2 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1068 E1074 V1075 V1076 L1090 | L1068-G1072 VanDerWaalsContact O-CA 3.27Å; L1068-G1072 WeakPolarHBondContact O-CA 3.32Å; L1068-G1072 PolarHBondContact O-N 3.32Å; G1072-E1074 VanDerWaalsContact C-N 3.33Å; G1072-E1074 PolarHBondContact O-N 3.01Å; G1072-V1075 WeakPolarHBondContact O-CB 3.32Å; G1072-V1075 PolarHBondContact O-N 3.15Å; G1072-V1076 VanDerWaalsContact O-CG2 3.29Å; G1072-V1076 WeakPolarHBondContact O-CG2 3.17Å; G1072-V1076 PolarHBondContact O-N 3.04Å; G1072-L1090 VanDerWaalsContact C-CD1 3.49Å |
| 1073 | G | 85.9 | Confident | 82.1 | Confident | 34.6 Ų | 34.6 | 45.3 Ų | 45.3 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1069 V1071 V1076 R1077 | A1069-G1073 WeakPolarHBondContact O-CA 3.42Å; A1069-G1073 PolarHBondContact O-N 3.05Å; V1071-G1073 VanDerWaalsContact C-N 3.33Å; V1071-G1073 PolarHBondContact O-N 3.02Å; G1073-V1076 PolarHBondContact O-N 3.23Å; G1073-R1077 PolarHBondContact O-N 3.29Å; G1073-R1077 VanDerWaalsContact O-N 3.12Å |
| 1074 | E | 83.5 | Confident | 82 | Confident | 40.8 Ų | 40.8 | 51.7 Ų | 51.7 | 19% | 0.191 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 174.1 | -173.2 | 62.4 | -170.2 | 0 | 0 | 111.9 | M624 T1070 V1071 G1072 R1077 I1078 | M624-E1074 HydrophobicContact CE-CB 4.18Å; M624-E1074 HydrophobicContact CE-CG 3.63Å; M624-E1074 VanDerWaalsContact CE-CG 3.49Å; M624-E1074 HydrophobicContact CG-CG 4.36Å; M624-E1074 HydrophobicContact SD-CB 4.3Å; M624-E1074 HydrophobicContact SD-CG 4.22Å; T1070-E1074 VanDerWaalsContact O-CB 3.32Å; T1070-E1074 WeakPolarHBondContact O-CB 3.35Å; T1070-E1074 PolarHBondContact O-N 3.17Å; T1070-E1074 VanDerWaalsContact O-N 3.13Å; V1071-E1074 PolarHBondContact O-N 3.17Å; V1071-E1074 VanDerWaalsContact O-N 3.15Å; G1072-E1074 VanDerWaalsContact C-N 3.33Å; G1072-E1074 PolarHBondContact O-N 3.01Å; E1074-R1077 VanDerWaalsContact CD-NE 3.25Å; E1074-R1077 VanDerWaalsContact CD-NH2 3.29Å; E1074-R1077 WeakPolarHBondContact O-CA 3.38Å; E1074-R1077 VanDerWaalsContact O-CB 3.3Å; E1074-R1077 WeakPolarHBondContact O-CB 3.42Å; E1074-R1077 PolarHBondContact O-N 3.06Å; E1074-R1077 VanDerWaalsContact O-N 3.1Å; E1074-R1077 IonicContact OE1-CZ 3.02Å; E1074-R1077 VanDerWaalsContact OE1-CZ 3.27Å; E1074-R1077 IonicContact OE1-NE 3.37Å; E1074-R1077 PolarHBondContact OE1-NE 3.32Å; E1074-R1077 VanDerWaalsContact OE1-NE 3.12Å; E1074-R1077 IonicContact OE1-NH2 2.82Å; E1074-R1077 PolarHBondContact OE1-NH2 3.16Å; E1074-R1077 IonicContact OE2-CZ 3.6Å; E1074-R1077 IonicContact OE2-NE 3.36Å; E1074-R1077 PolarHBondContact OE2-NE 3.06Å; E1074-R1077 IonicContact OE2-NH1 3.13Å; E1074-R1077 IonicContact OE2-NH2 3.23Å; E1074-R1077 PolarHBondContact OE2-NH2 3.28Å; E1074-R1077 VanDerWaalsContact OE2-NH2 3.14Å; E1074-I1078 HydrophobicContact CG-CD1 4.04Å; E1074-I1078 VanDerWaalsContact O-CG1 3.3Å; E1074-I1078 WeakPolarHBondContact O-CG1 3.37Å; E1074-I1078 PolarHBondContact O-N 3.15Å; E1074-I1078 WeakPolarHBondContact OE1-CD1 3.28Å |
| 1075 | V | 85 | Confident | 82 | Confident | 0.6 Ų | 0.6 | 56.9 Ų | 56.9 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 172.6 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | V1071 G1072 R1077 I1078 C1079 T1083 L1086 V1142 I1146 V1151 L1155 | V1071-V1075 HydrophobicContact CG1-CG2 4.4Å; V1071-V1075 VanDerWaalsContact O-CG2 3.28Å; V1071-V1075 WeakPolarHBondContact O-CG2 3.42Å; V1071-V1075 PolarHBondContact O-N 3.07Å; G1072-V1075 WeakPolarHBondContact O-CB 3.32Å; G1072-V1075 PolarHBondContact O-N 3.15Å; V1075-R1077 VanDerWaalsContact C-N 3.25Å; V1075-R1077 PolarHBondContact O-N 3.06Å; V1075-I1078 PolarHBondContact O-N 2.98Å; V1075-C1079 WeakPolarHBondContact O-CB 3.36Å; V1075-C1079 PolarHBondContact O-N 2.97Å; V1075-T1083 HydrophobicContact CG1-CG2 4.36Å; V1075-L1086 HydrophobicContact CG1-CD2 4.18Å; V1075-V1142 HydrophobicContact CG1-CG1 3.69Å; V1075-I1146 HydrophobicContact CB-CD1 4.5Å; V1075-I1146 HydrophobicContact CG1-CD1 3.84Å; V1075-I1146 HydrophobicContact CG1-CG1 4.12Å; V1075-I1146 HydrophobicContact CG2-CD1 3.85Å; V1075-I1146 HydrophobicContact CG2-CG1 4.47Å; V1075-V1151 HydrophobicContact CG2-CG1 3.55Å; V1075-V1151 VanDerWaalsContact CG2-CG1 3.49Å; V1075-L1155 HydrophobicContact CG1-CD2 4.42Å; V1075-L1155 HydrophobicContact CG2-CB 4.39Å; V1075-L1155 HydrophobicContact CG2-CD1 4.47Å; V1075-L1155 HydrophobicContact CG2-CD2 4.2Å |
| 1076 | V | 84.9 | Confident | 81.9 | Confident | 36.4 Ų | 36.4 | 56.8 Ų | 56.8 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 173.9 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | G1072 G1073 L1086 A1087 L1090 | G1072-V1076 VanDerWaalsContact O-CG2 3.29Å; G1072-V1076 WeakPolarHBondContact O-CG2 3.17Å; G1072-V1076 PolarHBondContact O-N 3.04Å; G1073-V1076 PolarHBondContact O-N 3.23Å; V1076-L1086 HydrophobicContact CG2-CB 4.44Å; V1076-L1086 HydrophobicContact CG2-CD2 4.14Å; V1076-L1086 HydrophobicContact CG2-CG 4.15Å; V1076-A1087 HydrophobicContact CG1-CB 3.9Å; V1076-A1087 HydrophobicContact CG2-CB 3.98Å; V1076-L1090 HydrophobicContact CG2-CD1 4.33Å |
| 1077 | R | 82.5 | Confident | 82 | Confident | 148.2 Ų | 148.2 | 57.2 Ų | 57.2 | 56% | 0.559 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68.4 | -38.7 | 177.6 | -168.4 | -177.8 | 73.7 | 126 | 2.5 | 112.6 | Y529 G1073 E1074 V1075 | Y529-R1077 PolarHBondContact OH-NH2 3.46Å; Y529-R1077 VanDerWaalsContact OH-NH2 3.09Å; G1073-R1077 PolarHBondContact O-N 3.29Å; G1073-R1077 VanDerWaalsContact O-N 3.12Å; E1074-R1077 VanDerWaalsContact CD-NE 3.25Å; E1074-R1077 VanDerWaalsContact CD-NH2 3.29Å; E1074-R1077 WeakPolarHBondContact O-CA 3.38Å; E1074-R1077 VanDerWaalsContact O-CB 3.3Å; E1074-R1077 WeakPolarHBondContact O-CB 3.42Å; E1074-R1077 PolarHBondContact O-N 3.06Å; E1074-R1077 VanDerWaalsContact O-N 3.1Å; E1074-R1077 IonicContact OE1-CZ 3.02Å; E1074-R1077 VanDerWaalsContact OE1-CZ 3.27Å; E1074-R1077 IonicContact OE1-NE 3.37Å; E1074-R1077 PolarHBondContact OE1-NE 3.32Å; E1074-R1077 VanDerWaalsContact OE1-NE 3.12Å; E1074-R1077 IonicContact OE1-NH2 2.82Å; E1074-R1077 PolarHBondContact OE1-NH2 3.16Å; E1074-R1077 IonicContact OE2-CZ 3.6Å; E1074-R1077 IonicContact OE2-NE 3.36Å; E1074-R1077 PolarHBondContact OE2-NE 3.06Å; E1074-R1077 IonicContact OE2-NH1 3.13Å; E1074-R1077 IonicContact OE2-NH2 3.23Å; E1074-R1077 PolarHBondContact OE2-NH2 3.28Å; E1074-R1077 VanDerWaalsContact OE2-NH2 3.14Å; V1075-R1077 VanDerWaalsContact C-N 3.25Å; V1075-R1077 PolarHBondContact O-N 3.06Å |
| 1078 | I | 80.3 | Confident | 82 | Confident | 78.6 Ų | 78.6 | 58.9 Ų | 58.9 | 40% | 0.403 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -80.5 | -45.4 | -177.5 | -64.9 | 166.4 | 0 | 0 | 0 | 111 | E1074 V1075 Q1080 V1151 | E1074-I1078 HydrophobicContact CG-CD1 4.04Å; E1074-I1078 VanDerWaalsContact O-CG1 3.3Å; E1074-I1078 WeakPolarHBondContact O-CG1 3.37Å; E1074-I1078 PolarHBondContact O-N 3.15Å; E1074-I1078 WeakPolarHBondContact OE1-CD1 3.28Å; V1075-I1078 PolarHBondContact O-N 2.98Å; I1078-Q1080 PolarHBondContact O-N 3.1Å; I1078-V1151 HydrophobicContact CD1-CG1 4.3Å; I1078-V1151 HydrophobicContact CD1-CG2 4.11Å |
| 1079 | C | 76.1 | Confident | 81.9 | Confident | 24.4 Ų | 24.4 | 59.7 Ų | 59.7 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | trans | -104.4 | 78.6 | -173.1 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | V1075 N1081 T1083 | V1075-C1079 WeakPolarHBondContact O-CB 3.36Å; V1075-C1079 PolarHBondContact O-N 2.97Å; C1079-N1081 VanDerWaalsContact C-N 3.3Å; C1079-N1081 PolarHBondContact O-N 3.18Å; C1079-N1081 VanDerWaalsContact O-N 3.17Å; C1079-T1083 HydrophobicContact CB-CG2 3.79Å; C1079-T1083 WeakPolarHBondContact O-CB 3.31Å; C1079-T1083 VanDerWaalsContact O-CG2 3.25Å; C1079-T1083 WeakPolarHBondContact O-CG2 3.29Å; C1079-T1083 PolarHBondContact O-OG1 3.17Å | ||
| 1080 | Q | 71.5 | Confident | 81.9 | Confident | 146.8 Ų | 146.8 | 59.5 Ų | 59.5 | 69% | 0.686 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.2 | -173 | -65.6 | 179.9 | 3.8 | 0 | 0 | 115.2 | I1078 | I1078-Q1080 PolarHBondContact O-N 3.1Š|
| 1081 | N | 66 | Low | 81.8 | Confident | 139.6 Ų | 139.6 | 61.4 Ų | 61.4 | 75% | 0.747 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -27.7 | -168 | -65.8 | -16.1 | 0 | 0 | 0 | 113.5 | C1079 T1083 | C1079-N1081 VanDerWaalsContact C-N 3.3Å; C1079-N1081 PolarHBondContact O-N 3.18Å; C1079-N1081 VanDerWaalsContact O-N 3.17Å; N1081-T1083 VanDerWaalsContact C-N 3.33Å; N1081-T1083 PolarHBondContact O-N 2.86Å |
| 1082 | D | 67.6 | Low | 81.9 | Confident | 129.6 Ų | 129.6 | 65.2 Ų | 65.2 | 69% | 0.693 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | 9.4 | -173.5 | -64.9 | -42.2 | 0 | 0 | 0 | 115.1 | Y1084 | D1082-Y1084 VanDerWaalsContact C-N 3.35Å; D1082-Y1084 PolarHBondContact O-N 2.98Å |
| 1083 | T | 78.4 | Confident | 81.9 | Confident | 5.4 Ų | 5.4 | 65.2 Ų | 65.2 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | trans | -99 | 11.1 | -173.7 | 59.4 | 0 | 0 | 0 | 0 | 115.1 | V1075 C1079 N1081 Q1085 L1086 A1087 V1142 | V1075-T1083 HydrophobicContact CG1-CG2 4.36Å; C1079-T1083 HydrophobicContact CB-CG2 3.79Å; C1079-T1083 WeakPolarHBondContact O-CB 3.31Å; C1079-T1083 VanDerWaalsContact O-CG2 3.25Å; C1079-T1083 WeakPolarHBondContact O-CG2 3.29Å; C1079-T1083 PolarHBondContact O-OG1 3.17Å; N1081-T1083 VanDerWaalsContact C-N 3.33Å; N1081-T1083 PolarHBondContact O-N 2.86Å; T1083-Q1085 VanDerWaalsContact C-N 3.33Å; T1083-Q1085 PolarHBondContact O-N 3.15Å; T1083-L1086 WeakPolarHBondContact O-CB 3.19Å; T1083-L1086 PolarHBondContact O-N 3.29Å; T1083-A1087 WeakPolarHBondContact O-CB 3.3Å; T1083-A1087 PolarHBondContact O-N 3.36Å; T1083-V1142 HydrophobicContact CG2-CG1 3.9Å; T1083-V1142 HydrophobicContact CG2-CG2 4.31Å | ||
| 1084 | Y | 80.7 | Confident | 81.8 | Confident | 179.4 Ų | 179.4 | 68.4 Ų | 68.4 | 70% | 0.704 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | -177.2 | -107 | -84.7 | 0 | 0 | 0 | 113.1 | D1082 A1087 S1088 | D1082-Y1084 VanDerWaalsContact C-N 3.35Å; D1082-Y1084 PolarHBondContact O-N 2.98Å; Y1084-A1087 PolarHBondContact O-N 3.17Å; Y1084-S1088 WeakPolarHBondContact O-CB 3.3Å; Y1084-S1088 PolarHBondContact O-N 3.25Å |
| 1085 | Q | 84.9 | Confident | 81.7 | Confident | 113.4 Ų | 113.4 | 72.8 Ų | 72.8 | 53% | 0.53 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 178.2 | -172.1 | 61.8 | 45.3 | 0 | 0 | 111 | T1083 A1087 S1088 D1089 S1138 | T1083-Q1085 VanDerWaalsContact C-N 3.33Å; T1083-Q1085 PolarHBondContact O-N 3.15Å; Q1085-A1087 VanDerWaalsContact C-N 3.31Å; Q1085-A1087 PolarHBondContact O-N 3.03Å; Q1085-S1088 WeakPolarHBondContact O-CB 3.25Å; Q1085-S1088 PolarHBondContact O-N 3.26Å; Q1085-S1088 VanDerWaalsContact O-N 3.13Å; Q1085-D1089 PolarHBondContact NE2-OD1 3.33Å; Q1085-D1089 PolarHBondContact NE2-OD2 2.96Å; Q1085-D1089 WeakPolarHBondContact O-CB 3.34Å; Q1085-D1089 PolarHBondContact O-N 3.18Å; Q1085-S1138 WeakPolarHBondContact CG-OG 3.39Å |
| 1086 | L | 85.9 | Confident | 81.6 | Confident | 1.6 Ų | 1.6 | 81.4 Ų | 81.4 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.5 | -42.7 | 176.6 | 179.4 | 62.4 | 0 | 0 | 0 | 111.5 | V1075 V1076 T1083 D1089 L1090 L1135 A1139 V1142 | V1075-L1086 HydrophobicContact CG1-CD2 4.18Å; V1076-L1086 HydrophobicContact CG2-CB 4.44Å; V1076-L1086 HydrophobicContact CG2-CD2 4.14Å; V1076-L1086 HydrophobicContact CG2-CG 4.15Å; T1083-L1086 WeakPolarHBondContact O-CB 3.19Å; T1083-L1086 PolarHBondContact O-N 3.29Å; L1086-D1089 PolarHBondContact O-N 3.29Å; L1086-L1090 HydrophobicContact CD1-CD1 4.19Å; L1086-L1090 HydrophobicContact CD1-CG 4.29Å; L1086-L1090 HydrophobicContact CG-CD1 4.07Å; L1086-L1090 HydrophobicContact CG-CG 4.5Å; L1086-L1090 VanDerWaalsContact O-CB 3.3Å; L1086-L1090 WeakPolarHBondContact O-CB 3.37Å; L1086-L1090 VanDerWaalsContact O-CG 3.23Å; L1086-L1090 WeakPolarHBondContact O-CG 3.38Å; L1086-L1090 PolarHBondContact O-N 3.22Å; L1086-L1135 HydrophobicContact CD1-CD1 3.53Å; L1086-L1135 VanDerWaalsContact CD1-CD1 3.49Å; L1086-A1139 HydrophobicContact CD1-CB 4.23Å; L1086-V1142 HydrophobicContact CB-CG2 4.33Å; L1086-V1142 HydrophobicContact CD2-CB 4.36Å; L1086-V1142 HydrophobicContact CD2-CG1 4.19Å; L1086-V1142 HydrophobicContact CD2-CG2 4.3Å |
| 1087 | A | 85.7 | Confident | 81.7 | Confident | 33.2 Ų | 33.2 | 80.1 Ų | 80.1 | 27% | 0.274 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1076 T1083 Y1084 Q1085 L1090 E1091 | V1076-A1087 HydrophobicContact CG1-CB 3.9Å; V1076-A1087 HydrophobicContact CG2-CB 3.98Å; T1083-A1087 WeakPolarHBondContact O-CB 3.3Å; T1083-A1087 PolarHBondContact O-N 3.36Å; Y1084-A1087 PolarHBondContact O-N 3.17Å; Q1085-A1087 VanDerWaalsContact C-N 3.31Å; Q1085-A1087 PolarHBondContact O-N 3.03Å; A1087-L1090 PolarHBondContact O-N 3.08Å; A1087-E1091 WeakPolarHBondContact O-CB 3.38Å; A1087-E1091 PolarHBondContact O-N 3.17Å |
| 1088 | S | 86.7 | Confident | 81.9 | Confident | 54.8 Ų | 54.8 | 73.9 Ų | 73.9 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | Y1084 Q1085 E1091 Q1092 | Y1084-S1088 WeakPolarHBondContact O-CB 3.3Å; Y1084-S1088 PolarHBondContact O-N 3.25Å; Q1085-S1088 WeakPolarHBondContact O-CB 3.25Å; Q1085-S1088 PolarHBondContact O-N 3.26Å; Q1085-S1088 VanDerWaalsContact O-N 3.13Å; S1088-E1091 PolarHBondContact O-N 3.15Å; S1088-Q1092 WeakPolarHBondContact O-CB 3.38Å; S1088-Q1092 PolarHBondContact O-N 3.34Å |
| 1089 | D | 87.1 | Confident | 82.1 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 9% | 0.086 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 179.5 | -64.5 | -19.3 | 0 | 0 | 0 | 111 | Q1085 L1086 Q1092 L1093 L1135 S1138 | Q1085-D1089 PolarHBondContact NE2-OD1 3.33Å; Q1085-D1089 PolarHBondContact NE2-OD2 2.96Å; Q1085-D1089 WeakPolarHBondContact O-CB 3.34Å; Q1085-D1089 PolarHBondContact O-N 3.18Å; L1086-D1089 PolarHBondContact O-N 3.29Å; D1089-Q1092 PolarHBondContact O-N 3.2Å; D1089-L1093 VanDerWaalsContact O-CB 3.31Å; D1089-L1093 WeakPolarHBondContact O-CB 3.38Å; D1089-L1093 PolarHBondContact O-N 3.25Å; D1089-L1135 HydrophobicContact CB-CB 4.21Å; D1089-L1135 HydrophobicContact CB-CD1 3.7Å; D1089-L1135 HydrophobicContact CB-CG 4.48Å; D1089-S1138 VanDerWaalsContact OD2-CB 3.29Å; D1089-S1138 WeakPolarHBondContact OD2-CB 3.34Å; D1089-S1138 PolarHBondContact OD2-OG 3.23Å |
| 1090 | L | 86.3 | Confident | 82.5 | Confident | 11 Ų | 11 | 75.5 Ų | 75.5 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.9 | -77.2 | 173.4 | 0 | 0 | 0 | 112.1 | A1069 G1072 V1076 L1086 A1087 L1093 Q1094 L1135 | A1069-L1090 HydrophobicContact CB-CD2 4.26Å; G1072-L1090 VanDerWaalsContact C-CD1 3.49Å; V1076-L1090 HydrophobicContact CG2-CD1 4.33Å; L1086-L1090 HydrophobicContact CD1-CD1 4.19Å; L1086-L1090 HydrophobicContact CD1-CG 4.29Å; L1086-L1090 HydrophobicContact CG-CD1 4.07Å; L1086-L1090 HydrophobicContact CG-CG 4.5Å; L1086-L1090 VanDerWaalsContact O-CB 3.3Å; L1086-L1090 WeakPolarHBondContact O-CB 3.37Å; L1086-L1090 VanDerWaalsContact O-CG 3.23Å; L1086-L1090 WeakPolarHBondContact O-CG 3.38Å; L1086-L1090 PolarHBondContact O-N 3.22Å; A1087-L1090 PolarHBondContact O-N 3.08Å; L1090-L1093 PolarHBondContact O-N 3.27Å; L1090-Q1094 WeakPolarHBondContact O-CB 3.33Å; L1090-Q1094 VanDerWaalsContact O-CG 3.3Å; L1090-Q1094 WeakPolarHBondContact O-CG 3.31Å; L1090-Q1094 PolarHBondContact O-N 3.02Å; L1090-L1135 HydrophobicContact CD2-CD1 3.81Å; L1090-L1135 HydrophobicContact CD2-CD2 3.85Å; L1090-L1135 HydrophobicContact CD2-CG 4.4Å; L1090-L1135 HydrophobicContact CG-CD1 3.8Å |
| 1091 | E | 86 | Confident | 83.4 | Confident | 89.8 Ų | 89.8 | 68.5 Ų | 68.5 | 42% | 0.42 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 178.4 | -174.2 | 177.7 | 177.4 | 0 | 0 | 111.5 | A1087 S1088 L1093 Q1094 K1095 | A1087-E1091 WeakPolarHBondContact O-CB 3.38Å; A1087-E1091 PolarHBondContact O-N 3.17Å; S1088-E1091 PolarHBondContact O-N 3.15Å; E1091-L1093 VanDerWaalsContact C-N 3.34Å; E1091-L1093 PolarHBondContact O-N 2.98Å; E1091-Q1094 PolarHBondContact O-N 3.06Å; E1091-K1095 VanDerWaalsContact CD-NZ 3.33Å; E1091-K1095 HydrophobicContact CG-CD 3.7Å; E1091-K1095 HydrophobicContact CG-CG 4.2Å; E1091-K1095 VanDerWaalsContact O-CB 3.29Å; E1091-K1095 WeakPolarHBondContact O-CB 3.4Å; E1091-K1095 WeakPolarHBondContact O-CG 3.29Å; E1091-K1095 PolarHBondContact O-N 3.19Å; E1091-K1095 WeakPolarHBondContact OE1-CE 3.41Å; E1091-K1095 IonicContact OE1-NZ 3.12Å; E1091-K1095 PolarHBondContact OE1-NZ 2.96Å |
| 1092 | Q | 87.1 | Confident | 84.3 | Confident | 84.8 Ų | 84.8 | 63.6 Ų | 63.6 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.9 | 177.8 | 172.8 | -33.6 | 0 | 0 | 111.5 | S1088 D1089 R1096 V1097 C1131 | S1088-Q1092 WeakPolarHBondContact O-CB 3.38Å; S1088-Q1092 PolarHBondContact O-N 3.34Å; D1089-Q1092 PolarHBondContact O-N 3.2Å; Q1092-R1096 WeakPolarHBondContact O-CB 3.4Å; Q1092-R1096 PolarHBondContact O-N 3.16Å; Q1092-R1096 VanDerWaalsContact O-N 3.09Å; Q1092-V1097 PolarHBondContact O-N 3.01Å; Q1092-C1131 PolarHBondContact NE2-SG 3.26Å; Q1092-C1131 VanDerWaalsContact NE2-SG 3.43Å |
| 1093 | L | 87.8 | Confident | 85 | Confident | 0.8 Ų | 0.8 | 61 Ų | 61 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -62.1 | -48.6 | 178.6 | -178.3 | 61.6 | 0 | 0 | 0 | 111.5 | V1065 D1089 L1090 E1091 V1097 M1098 L1128 C1131 L1132 L1135 | V1065-L1093 HydrophobicContact CB-CD2 4.39Å; V1065-L1093 HydrophobicContact CG1-CD1 4.45Å; V1065-L1093 HydrophobicContact CG1-CD2 3.41Å; V1065-L1093 HydrophobicContact CG1-CG 3.77Å; V1065-L1093 HydrophobicContact CG2-CD1 4.42Å; V1065-L1093 HydrophobicContact CG2-CD2 4.18Å; D1089-L1093 VanDerWaalsContact O-CB 3.31Å; D1089-L1093 WeakPolarHBondContact O-CB 3.38Å; D1089-L1093 PolarHBondContact O-N 3.25Å; L1090-L1093 PolarHBondContact O-N 3.27Å; E1091-L1093 VanDerWaalsContact C-N 3.34Å; E1091-L1093 PolarHBondContact O-N 2.98Å; L1093-V1097 HydrophobicContact CD1-CB 4.13Å; L1093-V1097 HydrophobicContact CD1-CG1 4.17Å; L1093-V1097 PolarHBondContact O-N 2.99Å; L1093-M1098 HydrophobicContact CD1-CE 4.05Å; L1093-M1098 HydrophobicContact CG-CE 4.45Å; L1093-M1098 HydrophobicContact CG-CG 4.43Å; L1093-M1098 WeakPolarHBondContact O-CB 3.3Å; L1093-M1098 VanDerWaalsContact O-CG 3.31Å; L1093-M1098 WeakPolarHBondContact O-CG 3.31Å; L1093-M1098 PolarHBondContact O-N 3.17Å; L1093-L1128 HydrophobicContact CD1-CD1 3.91Å; L1093-C1131 HydrophobicContact CD1-CB 4.36Å; L1093-L1132 HydrophobicContact CD1-CD2 4.3Å; L1093-L1132 HydrophobicContact CD1-CG 4.49Å; L1093-L1132 HydrophobicContact CD2-CD2 3.71Å; L1093-L1135 HydrophobicContact CD2-CD2 3.34Å; L1093-L1135 VanDerWaalsContact CD2-CD2 3.46Å |
| 1094 | Q | 84.3 | Confident | 85.4 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -71.5 | -43.1 | -176.9 | -108.9 | -179.2 | -2.7 | 0 | 0 | 113.4 | A1069 L1090 E1091 P1099 | A1069-Q1094 HydrophobicContact CB-CG 4.29Å; A1069-Q1094 VanDerWaalsContact CB-NE2 3.27Å; L1090-Q1094 WeakPolarHBondContact O-CB 3.33Å; L1090-Q1094 VanDerWaalsContact O-CG 3.3Å; L1090-Q1094 WeakPolarHBondContact O-CG 3.31Å; L1090-Q1094 PolarHBondContact O-N 3.02Å; E1091-Q1094 PolarHBondContact O-N 3.06Å; Q1094-P1099 WeakPolarHBondContact O-CD 3.28Å |
| 1095 | K | 81.5 | Confident | 85.6 | Confident | 132.2 Ų | 132.2 | 52.7 Ų | 52.7 | 58% | 0.575 | 26% | 0.259 | S | S | * | . | I | π-helix | trans | -85.3 | -33.3 | -173.2 | -66.8 | -173 | -179.1 | 175.3 | 0 | 113.7 | E1091 | E1091-K1095 VanDerWaalsContact CD-NZ 3.33Å; E1091-K1095 HydrophobicContact CG-CD 3.7Å; E1091-K1095 HydrophobicContact CG-CG 4.2Å; E1091-K1095 VanDerWaalsContact O-CB 3.29Å; E1091-K1095 WeakPolarHBondContact O-CB 3.4Å; E1091-K1095 WeakPolarHBondContact O-CG 3.29Å; E1091-K1095 PolarHBondContact O-N 3.19Å; E1091-K1095 WeakPolarHBondContact OE1-CE 3.41Å; E1091-K1095 IonicContact OE1-NZ 3.12Å; E1091-K1095 PolarHBondContact OE1-NZ 2.96Å |
| 1096 | R | 82.2 | Confident | 85.4 | Confident | 180.8 Ų | 180.8 | 49.4 Ų | 49.4 | 68% | 0.682 | 25% | 0.245 | S | C | * | . | I | π-helix | trans | -107.8 | -49.4 | -172.8 | -78.3 | -177.5 | 176.3 | 171.4 | -0.2 | 113.2 | Q1092 | Q1092-R1096 WeakPolarHBondContact O-CB 3.4Å; Q1092-R1096 PolarHBondContact O-N 3.16Å; Q1092-R1096 VanDerWaalsContact O-N 3.09Å |
| 1097 | V | 86.9 | Confident | 85.3 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -83.7 | -48 | -169 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | Q1092 L1093 Q1100 V1101 L1128 C1131 | Q1092-V1097 PolarHBondContact O-N 3.01Å; L1093-V1097 HydrophobicContact CD1-CB 4.13Å; L1093-V1097 HydrophobicContact CD1-CG1 4.17Å; L1093-V1097 PolarHBondContact O-N 2.99Å; V1097-Q1100 PolarHBondContact O-N 3.29Å; V1097-Q1100 VanDerWaalsContact O-N 3.14Å; V1097-V1101 HydrophobicContact CG1-CG2 3.9Å; V1097-V1101 VanDerWaalsContact O-CG2 3.31Å; V1097-V1101 WeakPolarHBondContact O-CG2 3.39Å; V1097-V1101 PolarHBondContact O-N 3.28Å; V1097-L1128 HydrophobicContact CG1-CB 4.18Å; V1097-L1128 HydrophobicContact CG1-CD1 4.07Å; V1097-C1131 HydrophobicContact CG2-CB 4.18Å; V1097-C1131 VanDerWaalsContact CG2-SG 3.54Å |
| 1098 | M | 87.3 | Confident | 85.1 | Confident | 19.6 Ų | 19.6 | 50.7 Ų | 50.7 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | -175.4 | -134.4 | 16.6 | 123.5 | 0 | 0 | 114.2 | A1062 V1065 L1093 Q1100 V1101 N1102 L1128 | A1062-M1098 HydrophobicContact CB-CE 3.95Å; A1062-M1098 HydrophobicContact CB-SD 3.86Å; A1062-M1098 VanDerWaalsContact O-CE 3.32Å; A1062-M1098 WeakPolarHBondContact O-CE 3.36Å; V1065-M1098 HydrophobicContact CB-CE 4.1Å; V1065-M1098 HydrophobicContact CB-SD 4.19Å; V1065-M1098 HydrophobicContact CG1-CE 4.08Å; V1065-M1098 VanDerWaalsContact CG1-CE 3.47Å; V1065-M1098 HydrophobicContact CG1-CG 4.4Å; V1065-M1098 HydrophobicContact CG1-SD 4.25Å; V1065-M1098 HydrophobicContact CG2-CE 3.76Å; V1065-M1098 VanDerWaalsContact CG2-CE 3.43Å; V1065-M1098 HydrophobicContact CG2-SD 4.39Å; L1093-M1098 HydrophobicContact CD1-CE 4.05Å; L1093-M1098 HydrophobicContact CG-CE 4.45Å; L1093-M1098 HydrophobicContact CG-CG 4.43Å; L1093-M1098 WeakPolarHBondContact O-CB 3.3Å; L1093-M1098 VanDerWaalsContact O-CG 3.31Å; L1093-M1098 WeakPolarHBondContact O-CG 3.31Å; L1093-M1098 PolarHBondContact O-N 3.17Å; M1098-Q1100 VanDerWaalsContact C-N 3.33Å; M1098-Q1100 PolarHBondContact O-N 3.13Å; M1098-V1101 PolarHBondContact O-N 3.17Å; M1098-N1102 WeakPolarHBondContact CE-ND2 3.48Å; M1098-N1102 WeakPolarHBondContact CE-OD1 3.47Å; M1098-N1102 WeakPolarHBondContact O-CB 3.29Å; M1098-N1102 VanDerWaalsContact O-CG 3.28Å; M1098-N1102 PolarHBondContact O-N 3.14Å; M1098-N1102 PolarHBondContact O-ND2 3.1Å; M1098-L1128 HydrophobicContact CE-CD1 3.6Å; M1098-L1128 HydrophobicContact CE-CD2 4.45Å; M1098-L1128 HydrophobicContact CE-CG 4.46Å |
| 1099 | P | 83.8 | Confident | 84.8 | Confident | 48.2 Ų | 48.2 | 51.8 Ų | 51.8 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 176.1 | -23.2 | 35.3 | 0 | 0 | 0 | 112.4 | Q1094 V1101 N1102 L1103 | Q1094-P1099 WeakPolarHBondContact O-CD 3.28Å; P1099-V1101 VanDerWaalsContact C-N 3.33Å; P1099-V1101 PolarHBondContact O-N 3.45Å; P1099-N1102 PolarHBondContact O-N 3.34Å; P1099-L1103 VanDerWaalsContact O-CB 3.29Å; P1099-L1103 WeakPolarHBondContact O-CB 3.36Å; P1099-L1103 PolarHBondContact O-N 3.22Å |
| 1100 | Q | 85.8 | Confident | 84.3 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 41% | 0.407 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.7 | -173.7 | -178.2 | 7.1 | 0 | 0 | 111.6 | V1097 M1098 L1103 S1104 A1124 | V1097-Q1100 PolarHBondContact O-N 3.29Å; V1097-Q1100 VanDerWaalsContact O-N 3.14Å; M1098-Q1100 VanDerWaalsContact C-N 3.33Å; M1098-Q1100 PolarHBondContact O-N 3.13Å; Q1100-L1103 PolarHBondContact O-N 3.29Å; Q1100-S1104 VanDerWaalsContact O-CB 3.3Å; Q1100-S1104 WeakPolarHBondContact O-CB 3.31Å; Q1100-S1104 PolarHBondContact O-N 3.12Å; Q1100-S1104 PolarHBondContact O-OG 3.17Å; Q1100-A1124 HydrophobicContact CG-CB 4.34Å |
| 1101 | V | 88.4 | Confident | 83.9 | Confident | 0.4 Ų | 0.4 | 59.9 Ų | 59.9 | 0% | 0.002 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -52.9 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | T1058 A1062 V1097 M1098 P1099 L1103 S1104 C1105 A1124 L1128 | T1058-V1101 HydrophobicContact CG2-CG1 3.74Å; A1062-V1101 HydrophobicContact CB-CG1 3.93Å; V1097-V1101 HydrophobicContact CG1-CG2 3.9Å; V1097-V1101 VanDerWaalsContact O-CG2 3.31Å; V1097-V1101 WeakPolarHBondContact O-CG2 3.39Å; V1097-V1101 PolarHBondContact O-N 3.28Å; M1098-V1101 PolarHBondContact O-N 3.17Å; P1099-V1101 VanDerWaalsContact C-N 3.33Å; P1099-V1101 PolarHBondContact O-N 3.45Å; V1101-L1103 VanDerWaalsContact C-N 3.31Å; V1101-L1103 PolarHBondContact O-N 3.08Å; V1101-S1104 WeakPolarHBondContact CA-OG 3.46Å; V1101-S1104 PolarHBondContact O-N 3.29Å; V1101-S1104 VanDerWaalsContact O-N 3.12Å; V1101-S1104 PolarHBondContact O-OG 3.08Å; V1101-C1105 WeakPolarHBondContact O-CB 3.37Å; V1101-C1105 PolarHBondContact O-N 3.14Å; V1101-C1105 PolarHBondContact O-SG 3.05Å; V1101-C1105 VanDerWaalsContact O-SG 3.37Å; V1101-A1124 HydrophobicContact CG2-CB 4.28Å; V1101-L1128 HydrophobicContact CG1-CD2 4.18Å; V1101-L1128 HydrophobicContact CG2-CB 3.9Å; V1101-L1128 HydrophobicContact CG2-CD1 4.39Å; V1101-L1128 HydrophobicContact CG2-CD2 4.28Å; V1101-L1128 HydrophobicContact CG2-CG 4.41Å |
| 1102 | N | 85.2 | Confident | 83.4 | Confident | 37.6 Ų | 37.6 | 56 Ų | 56 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -43.5 | -179.3 | -74.6 | -24.2 | 0 | 0 | 0 | 112 | M1098 P1099 N1106 | M1098-N1102 WeakPolarHBondContact CE-ND2 3.48Å; M1098-N1102 WeakPolarHBondContact CE-OD1 3.47Å; M1098-N1102 WeakPolarHBondContact O-CB 3.29Å; M1098-N1102 VanDerWaalsContact O-CG 3.28Å; M1098-N1102 PolarHBondContact O-N 3.14Å; M1098-N1102 PolarHBondContact O-ND2 3.1Å; P1099-N1102 PolarHBondContact O-N 3.34Å; N1102-N1106 WeakPolarHBondContact O-CB 3.39Å; N1102-N1106 VanDerWaalsContact O-CG 3.23Å; N1102-N1106 PolarHBondContact O-N 2.98Å; N1102-N1106 PolarHBondContact O-ND2 3.18Å; N1102-N1106 VanDerWaalsContact O-ND2 3.13Å |
| 1103 | L | 83.5 | Confident | 82.8 | Confident | 73.4 Ų | 73.4 | 55.6 Ų | 55.6 | 38% | 0.384 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 176 | -177.8 | 63.4 | 0 | 0 | 0 | 111.5 | R561 E565 P1099 Q1100 V1101 C1105 N1106 I1107 | R561-L1103 VanDerWaalsContact NH2-CD2 3.3Å; E565-L1103 HydrophobicContact CG-CD1 4.3Å; P1099-L1103 VanDerWaalsContact O-CB 3.29Å; P1099-L1103 WeakPolarHBondContact O-CB 3.36Å; P1099-L1103 PolarHBondContact O-N 3.22Å; Q1100-L1103 PolarHBondContact O-N 3.29Å; V1101-L1103 VanDerWaalsContact C-N 3.31Å; V1101-L1103 PolarHBondContact O-N 3.08Å; L1103-C1105 PolarHBondContact O-N 3.26Å; L1103-N1106 PolarHBondContact O-N 2.92Å; L1103-I1107 HydrophobicContact CD1-CD1 3.86Å; L1103-I1107 HydrophobicContact CD1-CG1 4.26Å; L1103-I1107 HydrophobicContact CD2-CD1 4.46Å; L1103-I1107 HydrophobicContact CG-CD1 3.78Å; L1103-I1107 HydrophobicContact CG-CG1 4.47Å; L1103-I1107 WeakPolarHBondContact O-CB 3.25Å; L1103-I1107 VanDerWaalsContact O-CG1 3.26Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.3Å; L1103-I1107 PolarHBondContact O-N 3.04Å |
| 1104 | S | 85.4 | Confident | 82.3 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 179.9 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | Q1100 V1101 N1106 I1107 A1108 A1124 | Q1100-S1104 VanDerWaalsContact O-CB 3.3Å; Q1100-S1104 WeakPolarHBondContact O-CB 3.31Å; Q1100-S1104 PolarHBondContact O-N 3.12Å; Q1100-S1104 PolarHBondContact O-OG 3.17Å; V1101-S1104 WeakPolarHBondContact CA-OG 3.46Å; V1101-S1104 PolarHBondContact O-N 3.29Å; V1101-S1104 VanDerWaalsContact O-N 3.12Å; V1101-S1104 PolarHBondContact O-OG 3.08Å; S1104-N1106 VanDerWaalsContact C-N 3.34Å; S1104-N1106 PolarHBondContact O-N 3.39Å; S1104-I1107 PolarHBondContact O-N 3.16Å; S1104-A1108 VanDerWaalsContact O-CB 3.23Å; S1104-A1108 WeakPolarHBondContact O-CB 3.36Å; S1104-A1108 PolarHBondContact O-N 3.34Å; S1104-A1124 VanDerWaalsContact OG-CB 3.24Å; S1104-A1124 WeakPolarHBondContact OG-CB 3.31Å |
| 1105 | C | 85.7 | Confident | 82.1 | Confident | 1.8 Ų | 1.8 | 56.3 Ų | 56.3 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | E1055 T1058 R1059 V1101 L1103 I1107 A1108 R1109 | E1055-C1105 HydrophobicContact CG-CB 4.03Å; E1055-C1105 VanDerWaalsContact CG-O 3.29Å; E1055-C1105 WeakPolarHBondContact CG-O 3.34Å; T1058-C1105 PolarHBondContact OG1-SG 3.44Å; R1059-C1105 PolarHBondContact NH2-O 2.99Å; V1101-C1105 WeakPolarHBondContact O-CB 3.37Å; V1101-C1105 PolarHBondContact O-N 3.14Å; V1101-C1105 PolarHBondContact O-SG 3.05Å; V1101-C1105 VanDerWaalsContact O-SG 3.37Å; L1103-C1105 PolarHBondContact O-N 3.26Å; C1105-I1107 PolarHBondContact O-N 3.38Å; C1105-A1108 PolarHBondContact O-N 3.18Å; C1105-R1109 VanDerWaalsContact O-CB 3.31Å; C1105-R1109 WeakPolarHBondContact O-CB 3.33Å; C1105-R1109 PolarHBondContact O-N 3.24Å |
| 1106 | N | 81.4 | Confident | 82.2 | Confident | 43.8 Ų | 43.8 | 56.9 Ų | 56.9 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 178.7 | -72.8 | -28.8 | 0 | 0 | 0 | 112.1 | Q568 R1059 N1102 L1103 S1104 R1109 V1110 | Q568-N1106 VanDerWaalsContact CD-ND2 3.26Å; Q568-N1106 PolarHBondContact OE1-ND2 2.96Å; R1059-N1106 PolarHBondContact NH2-OD1 2.52Å; N1102-N1106 WeakPolarHBondContact O-CB 3.39Å; N1102-N1106 VanDerWaalsContact O-CG 3.23Å; N1102-N1106 PolarHBondContact O-N 2.98Å; N1102-N1106 PolarHBondContact O-ND2 3.18Å; N1102-N1106 VanDerWaalsContact O-ND2 3.13Å; L1103-N1106 PolarHBondContact O-N 2.92Å; S1104-N1106 VanDerWaalsContact C-N 3.34Å; S1104-N1106 PolarHBondContact O-N 3.39Å; N1106-R1109 WeakPolarHBondContact O-CB 2.93Å; N1106-R1109 PolarHBondContact O-N 3.34Å; N1106-R1109 VanDerWaalsContact OD1-CZ 3.3Å; N1106-R1109 PolarHBondContact OD1-NH1 3.2Å; N1106-R1109 PolarHBondContact OD1-NH2 3.18Å; N1106-V1110 WeakPolarHBondContact O-CG2 3.42Å; N1106-V1110 PolarHBondContact O-N 3.35Å; N1106-V1110 VanDerWaalsContact O-N 3.15Å |
| 1107 | I | 82.4 | Confident | 82.3 | Confident | 60.6 Ų | 60.6 | 49 Ų | 49 | 31% | 0.311 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 176.4 | -66.7 | 169 | 0 | 0 | 0 | 110.6 | L1103 S1104 C1105 R1109 V1110 Q1111 N1117 | L1103-I1107 HydrophobicContact CD1-CD1 3.86Å; L1103-I1107 HydrophobicContact CD1-CG1 4.26Å; L1103-I1107 HydrophobicContact CD2-CD1 4.46Å; L1103-I1107 HydrophobicContact CG-CD1 3.78Å; L1103-I1107 HydrophobicContact CG-CG1 4.47Å; L1103-I1107 WeakPolarHBondContact O-CB 3.25Å; L1103-I1107 VanDerWaalsContact O-CG1 3.26Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.3Å; L1103-I1107 PolarHBondContact O-N 3.04Å; S1104-I1107 PolarHBondContact O-N 3.16Å; C1105-I1107 PolarHBondContact O-N 3.38Å; I1107-R1109 VanDerWaalsContact C-N 3.27Å; I1107-R1109 PolarHBondContact O-N 3.14Å; I1107-V1110 PolarHBondContact O-N 3.25Å; I1107-V1110 VanDerWaalsContact O-N 3.15Å; I1107-Q1111 PolarHBondContact O-N 3.06Å; I1107-N1117 HydrophobicContact CG2-CB 3.9Å; I1107-N1117 VanDerWaalsContact CG2-ND2 3.29Å; I1107-N1117 WeakPolarHBondContact CG2-ND2 3.37Å; I1107-N1117 VanDerWaalsContact CG2-OD1 3.3Å; I1107-N1117 WeakPolarHBondContact CG2-OD1 3.32Å |
| 1108 | A | 83.1 | Confident | 82.3 | Confident | 1.2 Ų | 1.2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -31.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1051 E1055 S1104 C1105 Q1111 P1112 L1121 | T1051-A1108 HydrophobicContact CG2-CB 3.99Å; E1055-A1108 HydrophobicContact CB-CB 4.44Å; E1055-A1108 HydrophobicContact CG-CB 4.26Å; S1104-A1108 VanDerWaalsContact O-CB 3.23Å; S1104-A1108 WeakPolarHBondContact O-CB 3.36Å; S1104-A1108 PolarHBondContact O-N 3.34Å; C1105-A1108 PolarHBondContact O-N 3.18Å; A1108-Q1111 CarbonylContact O-C 3.49Å; A1108-P1112 VanDerWaalsContact O-CA 3.28Å; A1108-P1112 WeakPolarHBondContact O-CA 3.25Å; A1108-P1112 WeakPolarHBondContact O-CB 3.3Å; A1108-P1112 WeakPolarHBondContact O-CD 3.26Å; A1108-P1112 VanDerWaalsContact O-N 3.14Å; A1108-L1121 HydrophobicContact CB-CB 4.36Å; A1108-L1121 HydrophobicContact CB-CD1 4.4Å; A1108-L1121 HydrophobicContact CB-CD2 3.8Å; A1108-L1121 HydrophobicContact CB-CG 4.43Å |
| 1109 | R | 79 | Confident | 82.3 | Confident | 77.8 Ų | 77.8 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 174.2 | -167.3 | 179.1 | 23.8 | -156.1 | -3.3 | 112.6 | A754 E1055 R1059 C1105 N1106 I1107 | A754-R1109 HydrophobicContact CB-CG 4.32Å; A754-R1109 WeakPolarHBondContact O-CD 3.5Å; E1055-R1109 VanDerWaalsContact CD-NE 3.28Å; E1055-R1109 HydrophobicContact CG-CB 4.3Å; E1055-R1109 WeakPolarHBondContact OE1-CB 3.24Å; E1055-R1109 IonicContact OE1-CZ 3.14Å; E1055-R1109 VanDerWaalsContact OE1-CZ 3.25Å; E1055-R1109 IonicContact OE1-NE 3.13Å; E1055-R1109 PolarHBondContact OE1-NE 2.92Å; E1055-R1109 IonicContact OE1-NH1 3.55Å; E1055-R1109 IonicContact OE1-NH2 2.72Å; E1055-R1109 PolarHBondContact OE1-NH2 3.11Å; E1055-R1109 WeakPolarHBondContact OE2-CG 3.41Å; E1055-R1109 IonicContact OE2-NE 4Å; E1055-R1109 PolarHBondContact OE2-NE 2.76Å; E1055-R1109 VanDerWaalsContact OE2-NE 3.13Å; R1059-R1109 VanDerWaalsContact CD-NH2 3.32Å; R1059-R1109 VanDerWaalsContact NH2-NH1 3.12Å; C1105-R1109 VanDerWaalsContact O-CB 3.31Å; C1105-R1109 WeakPolarHBondContact O-CB 3.33Å; C1105-R1109 PolarHBondContact O-N 3.24Å; N1106-R1109 WeakPolarHBondContact O-CB 2.93Å; N1106-R1109 PolarHBondContact O-N 3.34Å; N1106-R1109 VanDerWaalsContact OD1-CZ 3.3Å; N1106-R1109 PolarHBondContact OD1-NH1 3.2Å; N1106-R1109 PolarHBondContact OD1-NH2 3.18Å; I1107-R1109 VanDerWaalsContact C-N 3.27Å; I1107-R1109 PolarHBondContact O-N 3.14Å |
| 1110 | V | 76.4 | Confident | 82.5 | Confident | 97.4 Ų | 97.4 | 51.2 Ų | 51.2 | 59% | 0.59 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -77 | -39 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 111 | V751 N1106 I1107 | V751-V1110 HydrophobicContact CG1-CG1 4.07Å; N1106-V1110 WeakPolarHBondContact O-CG2 3.42Å; N1106-V1110 PolarHBondContact O-N 3.35Å; N1106-V1110 VanDerWaalsContact O-N 3.15Å; I1107-V1110 PolarHBondContact O-N 3.25Å; I1107-V1110 VanDerWaalsContact O-N 3.15Å |
| 1111 | Q | 77.8 | Confident | 82.7 | Confident | 100.2 Ų | 100.2 | 47.1 Ų | 47.1 | 47% | 0.468 | 24% | 0.243 | S | C | . | . | trans | -130.9 | 75.6 | -176.7 | -66 | -178.1 | -12.7 | 0 | 0 | 111.5 | I1107 A1108 Y1113 D1114 N1117 | I1107-Q1111 PolarHBondContact O-N 3.06Å; A1108-Q1111 CarbonylContact O-C 3.49Å; Q1111-Y1113 PolarHBondContact O-N 3.32Å; Q1111-Y1113 VanDerWaalsContact O-N 3.15Å; Q1111-D1114 PolarHBondContact O-N 3.39Å; Q1111-N1117 PolarHBondContact OE1-ND2 3.23Å | ||
| 1112 | P | 76.3 | Confident | 82.8 | Confident | 8.4 Ų | 8.4 | 47.8 Ų | 47.8 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -1.8 | -176.4 | 30 | -35.9 | 0 | 0 | 0 | 113.9 | T1051 K1052 A1108 Q1118 | T1051-P1112 HydrophobicContact CG2-CB 4.14Å; T1051-P1112 PolarHBondContact OG1-O 3.21Å; K1052-P1112 HydrophobicContact CG-CB 4.4Å; A1108-P1112 VanDerWaalsContact O-CA 3.28Å; A1108-P1112 WeakPolarHBondContact O-CA 3.25Å; A1108-P1112 WeakPolarHBondContact O-CB 3.3Å; A1108-P1112 WeakPolarHBondContact O-CD 3.26Å; A1108-P1112 VanDerWaalsContact O-N 3.14Å; P1112-Q1118 PolarHBondContact O-NE2 3.08Å |
| 1113 | Y | 74.5 | Confident | 83 | Confident | 74.4 Ų | 74.4 | 47.9 Ų | 47.9 | 29% | 0.292 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -20.1 | -175.4 | -35.9 | -79.8 | 0 | 0 | 0 | 113.8 | T984 L985 S1048 Q1111 V1115 | T984-Y1113 VanDerWaalsContact CB-OH 3.27Å; T984-Y1113 WeakPolarHBondContact CB-OH 3.39Å; T984-Y1113 WeakPolarHBondContact O-CD2 3.35Å; T984-Y1113 WeakPolarHBondContact O-CE2 3.28Å; T984-Y1113 VanDerWaalsContact O-CZ 3.25Å; T984-Y1113 PolarHBondContact O-OH 2.93Å; T984-Y1113 PolarHBondContact OG1-OH 3.11Å; T984-Y1113 VanDerWaalsContact OG1-OH 3.09Å; L985-Y1113 HydrophobicContact CB-CD1 4.29Å; L985-Y1113 HydrophobicContact CB-CE1 4Å; L985-Y1113 HydrophobicContact CD2-CD1 3.89Å; L985-Y1113 HydrophobicContact CD2-CE1 3.39Å; L985-Y1113 VanDerWaalsContact CD2-CE1 3.47Å; L985-Y1113 HydrophobicContact CG-CD1 4.06Å; L985-Y1113 HydrophobicContact CG-CE1 3.37Å; L985-Y1113 VanDerWaalsContact CG-CE1 3.43Å; S1048-Y1113 VanDerWaalsContact OG-CE1 3.24Å; S1048-Y1113 WeakPolarHBondContact OG-CE1 3.39Å; S1048-Y1113 PolarHBondContact OG-OH 3.18Å; Q1111-Y1113 PolarHBondContact O-N 3.32Å; Q1111-Y1113 VanDerWaalsContact O-N 3.15Å; Y1113-V1115 PolarHBondContact O-N 3.11Å |
| 1114 | D | 77.3 | Confident | 83.4 | Confident | 62.6 Ų | 62.6 | 44.4 Ų | 44.4 | 34% | 0.335 | 24% | 0.235 | S | C | . | . | trans | -72.9 | 118.4 | -177 | 179.8 | 6.3 | 0 | 0 | 0 | 110.3 | Q1111 K1116 N1117 Q1118 | Q1111-D1114 PolarHBondContact O-N 3.39Å; D1114-K1116 PolarHBondContact O-N 3.03Å; D1114-K1116 WeakPolarHBondContact OD1-CB 3.26Å; D1114-K1116 PolarHBondContact OD1-N 3.18Å; D1114-K1116 VanDerWaalsContact OD1-N 3.15Å; D1114-N1117 HydrophobicContact CB-CB 4.06Å; D1114-N1117 WeakPolarHBondContact CB-ND2 3.31Å; D1114-N1117 PolarHBondContact O-N 3.28Å; D1114-N1117 VanDerWaalsContact O-N 3.12Å; D1114-N1117 VanDerWaalsContact OD2-CG 3.25Å; D1114-N1117 PolarHBondContact OD2-ND2 3.05Å; D1114-N1117 VanDerWaalsContact OD2-ND2 3.11Å; D1114-N1117 PolarHBondContact OD2-OD1 3.13Å; D1114-Q1118 VanDerWaalsContact O-CG 3.28Å; D1114-Q1118 WeakPolarHBondContact O-CG 3.36Å; D1114-Q1118 PolarHBondContact O-N 3.15Å | ||
| 1115 | V | 80.8 | Confident | 83.6 | Confident | 56.6 Ų | 56.6 | 43.9 Ų | 43.9 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.6 | -35.9 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | Y1113 Q1118 A1119 P1184 | Y1113-V1115 PolarHBondContact O-N 3.11Å; V1115-Q1118 PolarHBondContact O-N 3.26Å; V1115-A1119 WeakPolarHBondContact O-CB 3.33Å; V1115-A1119 PolarHBondContact O-N 3.02Å; V1115-P1184 HydrophobicContact CG2-CG 4.16Å |
| 1116 | K | 82.9 | Confident | 84 | Confident | 143.4 Ų | 143.4 | 48.6 Ų | 48.6 | 62% | 0.623 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.5 | -42.5 | 177.8 | -172.9 | 177 | -179.4 | 177.2 | 0 | 111.5 | D1114 Q1118 A1119 N1120 | D1114-K1116 PolarHBondContact O-N 3.03Å; D1114-K1116 WeakPolarHBondContact OD1-CB 3.26Å; D1114-K1116 PolarHBondContact OD1-N 3.18Å; D1114-K1116 VanDerWaalsContact OD1-N 3.15Å; K1116-Q1118 VanDerWaalsContact C-N 3.34Å; K1116-A1119 PolarHBondContact O-N 3.19Å; K1116-N1120 WeakPolarHBondContact O-CB 3.4Å; K1116-N1120 PolarHBondContact O-N 2.95Å; K1116-N1120 PolarHBondContact O-ND2 3.09Å |
| 1117 | N | 84.2 | Confident | 84.5 | Confident | 16.4 Ų | 16.4 | 49.7 Ų | 49.7 | 9% | 0.088 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 178.5 | -64.2 | -24.4 | 0 | 0 | 0 | 111.8 | I1107 Q1111 D1114 N1120 L1121 | I1107-N1117 HydrophobicContact CG2-CB 3.9Å; I1107-N1117 VanDerWaalsContact CG2-ND2 3.29Å; I1107-N1117 WeakPolarHBondContact CG2-ND2 3.37Å; I1107-N1117 VanDerWaalsContact CG2-OD1 3.3Å; I1107-N1117 WeakPolarHBondContact CG2-OD1 3.32Å; Q1111-N1117 PolarHBondContact OE1-ND2 3.23Å; D1114-N1117 HydrophobicContact CB-CB 4.06Å; D1114-N1117 WeakPolarHBondContact CB-ND2 3.31Å; D1114-N1117 PolarHBondContact O-N 3.28Å; D1114-N1117 VanDerWaalsContact O-N 3.12Å; D1114-N1117 VanDerWaalsContact OD2-CG 3.25Å; D1114-N1117 PolarHBondContact OD2-ND2 3.05Å; D1114-N1117 VanDerWaalsContact OD2-ND2 3.11Å; D1114-N1117 PolarHBondContact OD2-OD1 3.13Å; N1117-N1120 PolarHBondContact O-N 3.05Å; N1117-L1121 WeakPolarHBondContact O-CB 3.42Å; N1117-L1121 PolarHBondContact O-N 3.22Å |
| 1118 | Q | 87.2 | Confident | 85 | Confident | 0.8 Ų | 0.8 | 46.8 Ų | 46.8 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 172.5 | -68.2 | 168.8 | -5.7 | 0 | 0 | 111.8 | R1047 T1051 P1112 D1114 V1115 K1116 N1120 L1121 L1122 L1180 | R1047-Q1118 VanDerWaalsContact CZ-OE1 3.23Å; T1051-Q1118 HydrophobicContact CG2-CG 4.06Å; T1051-Q1118 VanDerWaalsContact OG1-CG 3.31Å; T1051-Q1118 WeakPolarHBondContact OG1-CG 3.42Å; T1051-Q1118 PolarHBondContact OG1-NE2 3.11Å; P1112-Q1118 PolarHBondContact O-NE2 3.08Å; D1114-Q1118 VanDerWaalsContact O-CG 3.28Å; D1114-Q1118 WeakPolarHBondContact O-CG 3.36Å; D1114-Q1118 PolarHBondContact O-N 3.15Å; V1115-Q1118 PolarHBondContact O-N 3.26Å; K1116-Q1118 VanDerWaalsContact C-N 3.34Å; Q1118-N1120 VanDerWaalsContact C-N 3.34Å; Q1118-N1120 PolarHBondContact O-N 3.09Å; Q1118-L1121 PolarHBondContact O-N 3.28Å; Q1118-L1122 WeakPolarHBondContact O-CG 3.29Å; Q1118-L1122 PolarHBondContact O-N 3.1Å; Q1118-L1180 HydrophobicContact CB-CD2 4.41Å; Q1118-L1180 HydrophobicContact CG-CD2 4.27Å |
| 1119 | A | 87 | Confident | 85.5 | Confident | 48.6 Ų | 48.6 | 47.5 Ų | 47.5 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | V1115 K1116 L1121 L1122 A1123 | V1115-A1119 WeakPolarHBondContact O-CB 3.33Å; V1115-A1119 PolarHBondContact O-N 3.02Å; K1116-A1119 PolarHBondContact O-N 3.19Å; A1119-L1121 VanDerWaalsContact C-N 3.35Å; A1119-L1121 PolarHBondContact O-N 3.08Å; A1119-L1122 PolarHBondContact O-N 3.2Å; A1119-A1123 WeakPolarHBondContact O-CB 3.28Å; A1119-A1123 PolarHBondContact O-N 3.02Å |
| 1120 | N | 87.6 | Confident | 86.1 | Confident | 73.8 Ų | 73.8 | 50.4 Ų | 50.4 | 40% | 0.395 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.6 | -69.8 | -24.3 | 0 | 0 | 0 | 112.1 | K1116 N1117 Q1118 A1123 A1124 | K1116-N1120 WeakPolarHBondContact O-CB 3.4Å; K1116-N1120 PolarHBondContact O-N 2.95Å; K1116-N1120 PolarHBondContact O-ND2 3.09Å; N1117-N1120 PolarHBondContact O-N 3.05Å; Q1118-N1120 VanDerWaalsContact C-N 3.34Å; Q1118-N1120 PolarHBondContact O-N 3.09Å; N1120-A1123 PolarHBondContact O-N 3.31Å; N1120-A1124 VanDerWaalsContact O-CB 3.27Å; N1120-A1124 WeakPolarHBondContact O-CB 3.36Å; N1120-A1124 PolarHBondContact O-N 3.12Å |
| 1121 | L | 90.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.8 | -179.3 | 67.3 | 0 | 0 | 0 | 111.5 | T1051 L1054 E1055 T1058 A1108 N1117 Q1118 A1119 A1124 S1125 | T1051-L1121 HydrophobicContact CG2-CD2 4.01Å; L1054-L1121 HydrophobicContact CB-CD2 4.16Å; L1054-L1121 HydrophobicContact CD2-CD2 3.92Å; L1054-L1121 HydrophobicContact CD2-CG 3.99Å; L1054-L1121 HydrophobicContact CG-CD2 3.95Å; L1054-L1121 HydrophobicContact CG-CG 4.17Å; E1055-L1121 HydrophobicContact CB-CD2 4.05Å; T1058-L1121 HydrophobicContact CG2-CD1 4.49Å; A1108-L1121 HydrophobicContact CB-CB 4.36Å; A1108-L1121 HydrophobicContact CB-CD1 4.4Å; A1108-L1121 HydrophobicContact CB-CD2 3.8Å; A1108-L1121 HydrophobicContact CB-CG 4.43Å; N1117-L1121 WeakPolarHBondContact O-CB 3.42Å; N1117-L1121 PolarHBondContact O-N 3.22Å; Q1118-L1121 PolarHBondContact O-N 3.28Å; A1119-L1121 VanDerWaalsContact C-N 3.35Å; A1119-L1121 PolarHBondContact O-N 3.08Å; L1121-A1124 PolarHBondContact O-N 3.28Å; L1121-S1125 VanDerWaalsContact O-CB 3.3Å; L1121-S1125 WeakPolarHBondContact O-CB 3.42Å; L1121-S1125 PolarHBondContact O-N 3.15Å; L1121-S1125 PolarHBondContact O-OG 3.01Å; L1121-S1125 VanDerWaalsContact O-OG 3.11Å |
| 1122 | L | 90.1 | Very high | 87.4 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -51.1 | 172.6 | -78.1 | 173.8 | 0 | 0 | 0 | 111.1 | L1054 Q1118 A1119 A1124 S1125 Q1126 F1173 E1177 L1180 | L1054-L1122 HydrophobicContact CD2-CD2 3.67Å; L1054-L1122 HydrophobicContact CD2-CG 4.21Å; Q1118-L1122 WeakPolarHBondContact O-CG 3.29Å; Q1118-L1122 PolarHBondContact O-N 3.1Å; A1119-L1122 PolarHBondContact O-N 3.2Å; L1122-A1124 VanDerWaalsContact C-N 3.33Å; L1122-A1124 PolarHBondContact O-N 3.05Å; L1122-S1125 WeakPolarHBondContact CA-OG 3.31Å; L1122-S1125 PolarHBondContact O-N 2.96Å; L1122-S1125 PolarHBondContact O-OG 3.06Å; L1122-S1125 VanDerWaalsContact O-OG 3.06Å; L1122-Q1126 WeakPolarHBondContact O-CB 3.29Å; L1122-Q1126 PolarHBondContact O-N 3Å; L1122-F1173 HydrophobicContact CB-CE2 4.31Å; L1122-F1173 HydrophobicContact CD2-CD2 3.95Å; L1122-F1173 HydrophobicContact CD2-CE2 3.62Å; L1122-F1173 HydrophobicContact CD2-CZ 4.27Å; L1122-F1173 HydrophobicContact CG-CE2 4.49Å; L1122-F1173 WeakPolarHBondContact O-CE2 3.31Å; L1122-E1177 HydrophobicContact CD2-CB 4.4Å; L1122-L1180 HydrophobicContact CD1-CB 3.64Å; L1122-L1180 HydrophobicContact CG-CB 4.26Å; L1122-L1180 HydrophobicContact CG-CD1 4.5Å |
| 1123 | A | 90.6 | Very high | 88.2 | Confident | 40.4 Ų | 40.4 | 44.4 Ų | 44.4 | 33% | 0.334 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1119 N1120 Q1126 N1127 | A1119-A1123 WeakPolarHBondContact O-CB 3.28Å; A1119-A1123 PolarHBondContact O-N 3.02Å; N1120-A1123 PolarHBondContact O-N 3.31Å; A1123-Q1126 PolarHBondContact O-N 3.25Å; A1123-N1127 WeakPolarHBondContact O-CB 3.42Å; A1123-N1127 VanDerWaalsContact O-CG 3.24Å; A1123-N1127 PolarHBondContact O-N 3.16Å; A1123-N1127 PolarHBondContact O-ND2 3.06Å |
| 1124 | A | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1100 V1101 S1104 N1120 L1121 L1122 N1127 L1128 | Q1100-A1124 HydrophobicContact CG-CB 4.34Å; V1101-A1124 HydrophobicContact CG2-CB 4.28Å; S1104-A1124 VanDerWaalsContact OG-CB 3.24Å; S1104-A1124 WeakPolarHBondContact OG-CB 3.31Å; N1120-A1124 VanDerWaalsContact O-CB 3.27Å; N1120-A1124 WeakPolarHBondContact O-CB 3.36Å; N1120-A1124 PolarHBondContact O-N 3.12Å; L1121-A1124 PolarHBondContact O-N 3.28Å; L1122-A1124 VanDerWaalsContact C-N 3.33Å; L1122-A1124 PolarHBondContact O-N 3.05Å; A1124-N1127 PolarHBondContact O-N 3.01Å; A1124-L1128 WeakPolarHBondContact O-CB 3.31Å; A1124-L1128 PolarHBondContact O-N 3.14Å |
| 1125 | S | 91.5 | Very high | 89.5 | Confident | 0.2 Ų | 0.2 | 40.7 Ų | 40.7 | 0% | 0.001 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.8 | -37.5 | 176.5 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | T1058 L1121 L1122 L1128 M1129 F1173 | T1058-S1125 WeakPolarHBondContact OG1-CB 3.29Å; L1121-S1125 VanDerWaalsContact O-CB 3.3Å; L1121-S1125 WeakPolarHBondContact O-CB 3.42Å; L1121-S1125 PolarHBondContact O-N 3.15Å; L1121-S1125 PolarHBondContact O-OG 3.01Å; L1121-S1125 VanDerWaalsContact O-OG 3.11Å; L1122-S1125 WeakPolarHBondContact CA-OG 3.31Å; L1122-S1125 PolarHBondContact O-N 2.96Å; L1122-S1125 PolarHBondContact O-OG 3.06Å; L1122-S1125 VanDerWaalsContact O-OG 3.06Å; S1125-L1128 WeakPolarHBondContact O-CB 3.33Å; S1125-L1128 PolarHBondContact O-N 3.11Å; S1125-M1129 VanDerWaalsContact O-CG 3.3Å; S1125-M1129 WeakPolarHBondContact O-CG 3.24Å; S1125-M1129 PolarHBondContact O-N 3.12Å; S1125-F1173 VanDerWaalsContact OG-CD2 3.32Å; S1125-F1173 WeakPolarHBondContact OG-CD2 3.41Å; S1125-F1173 VanDerWaalsContact OG-CE2 3.27Å; S1125-F1173 WeakPolarHBondContact OG-CE2 3.21Å |
| 1126 | Q | 93 | Very high | 90.1 | Very high | 99.4 Ų | 99.4 | 38.4 Ų | 38.4 | 46% | 0.464 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 173.6 | -168.1 | 178 | 27.1 | 0 | 0 | 112.2 | L1122 A1123 L1128 M1129 K1130 F1173 | L1122-Q1126 WeakPolarHBondContact O-CB 3.29Å; L1122-Q1126 PolarHBondContact O-N 3Å; A1123-Q1126 PolarHBondContact O-N 3.25Å; Q1126-L1128 VanDerWaalsContact C-N 3.32Å; Q1126-L1128 PolarHBondContact O-N 3.28Å; Q1126-M1129 HydrophobicContact CB-CE 4.39Å; Q1126-M1129 HydrophobicContact CG-CE 4.47Å; Q1126-M1129 PolarHBondContact O-N 3.31Å; Q1126-K1130 PolarHBondContact O-N 3.14Å; Q1126-K1130 VanDerWaalsContact O-N 3.08Å; Q1126-F1173 HydrophobicContact CB-CE2 3.97Å; Q1126-F1173 HydrophobicContact CB-CZ 3.93Å; Q1126-F1173 HydrophobicContact CG-CZ 4.2Å |
| 1127 | N | 91.9 | Very high | 90.4 | Very high | 68.2 Ų | 68.2 | 38.5 Ų | 38.5 | 37% | 0.365 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.8 | -73.8 | -20.3 | 0 | 0 | 0 | 111.7 | A1123 A1124 K1130 C1131 | A1123-N1127 WeakPolarHBondContact O-CB 3.42Å; A1123-N1127 VanDerWaalsContact O-CG 3.24Å; A1123-N1127 PolarHBondContact O-N 3.16Å; A1123-N1127 PolarHBondContact O-ND2 3.06Å; A1124-N1127 PolarHBondContact O-N 3.01Å; N1127-K1130 PolarHBondContact O-N 2.91Å; N1127-C1131 VanDerWaalsContact O-CB 3.3Å; N1127-C1131 WeakPolarHBondContact O-CB 3.42Å; N1127-C1131 PolarHBondContact O-N 3.11Å; N1127-C1131 VanDerWaalsContact O-N 3.09Å; N1127-C1131 PolarHBondContact O-SG 3.13Å |
| 1128 | L | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -49.9 | 174.3 | -178.6 | 62.5 | 0 | 0 | 0 | 111.6 | T1058 T1061 A1062 V1065 L1093 V1097 M1098 V1101 A1124 S1125 Q1126 K1130 C1131 L1132 L1169 | T1058-L1128 HydrophobicContact CG2-CD2 3.95Å; T1061-L1128 HydrophobicContact CG2-CD2 4.1Å; T1061-L1128 HydrophobicContact CG2-CG 4.47Å; A1062-L1128 HydrophobicContact CB-CD2 4.47Å; V1065-L1128 HydrophobicContact CG2-CD1 4.45Å; L1093-L1128 HydrophobicContact CD1-CD1 3.91Å; V1097-L1128 HydrophobicContact CG1-CB 4.18Å; V1097-L1128 HydrophobicContact CG1-CD1 4.07Å; M1098-L1128 HydrophobicContact CE-CD1 3.6Å; M1098-L1128 HydrophobicContact CE-CD2 4.45Å; M1098-L1128 HydrophobicContact CE-CG 4.46Å; V1101-L1128 HydrophobicContact CG1-CD2 4.18Å; V1101-L1128 HydrophobicContact CG2-CB 3.9Å; V1101-L1128 HydrophobicContact CG2-CD1 4.39Å; V1101-L1128 HydrophobicContact CG2-CD2 4.28Å; V1101-L1128 HydrophobicContact CG2-CG 4.41Å; A1124-L1128 WeakPolarHBondContact O-CB 3.31Å; A1124-L1128 PolarHBondContact O-N 3.14Å; S1125-L1128 WeakPolarHBondContact O-CB 3.33Å; S1125-L1128 PolarHBondContact O-N 3.11Å; Q1126-L1128 VanDerWaalsContact C-N 3.32Å; Q1126-L1128 PolarHBondContact O-N 3.28Å; L1128-K1130 PolarHBondContact O-N 3.11Å; L1128-C1131 PolarHBondContact O-N 3.32Å; L1128-L1132 HydrophobicContact CD1-CD1 3.73Å; L1128-L1132 HydrophobicContact CD1-CG 3.99Å; L1128-L1132 HydrophobicContact CD2-CD1 4.44Å; L1128-L1132 HydrophobicContact CG-CD1 3.79Å; L1128-L1132 HydrophobicContact CG-CG 4.38Å; L1128-L1132 WeakPolarHBondContact O-CB 3.37Å; L1128-L1132 VanDerWaalsContact O-CG 3.29Å; L1128-L1132 WeakPolarHBondContact O-CG 3.33Å; L1128-L1132 PolarHBondContact O-N 3.19Å; L1128-L1169 HydrophobicContact CD2-CD1 4.07Å; L1128-L1169 HydrophobicContact CD2-CD2 4.18Å |
| 1129 | M | 92.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.1 | -49.9 | 178.8 | -73.8 | -172.3 | -65.4 | 0 | 0 | 111.6 | S1125 Q1126 C1131 L1132 E1133 L1166 L1169 R1170 F1173 | S1125-M1129 VanDerWaalsContact O-CG 3.3Å; S1125-M1129 WeakPolarHBondContact O-CG 3.24Å; S1125-M1129 PolarHBondContact O-N 3.12Å; Q1126-M1129 HydrophobicContact CB-CE 4.39Å; Q1126-M1129 HydrophobicContact CG-CE 4.47Å; Q1126-M1129 PolarHBondContact O-N 3.31Å; M1129-C1131 PolarHBondContact O-N 3.34Å; M1129-L1132 PolarHBondContact O-N 3.11Å; M1129-E1133 VanDerWaalsContact O-CG 3.3Å; M1129-E1133 WeakPolarHBondContact O-CG 3.32Å; M1129-E1133 PolarHBondContact O-N 3.05Å; M1129-L1166 HydrophobicContact CB-CD1 4.02Å; M1129-L1166 HydrophobicContact CG-CD1 3.77Å; M1129-L1169 HydrophobicContact CE-CD2 4.14Å; M1129-L1169 HydrophobicContact CG-CD2 3.38Å; M1129-L1169 HydrophobicContact CG-CG 3.94Å; M1129-L1169 HydrophobicContact SD-CD2 3.89Å; M1129-L1169 WeakPolarHBondContact SD-CD2 3.29Å; M1129-L1169 HydrophobicContact SD-CG 4.02Å; M1129-R1170 HydrophobicContact CG-CG 4.41Å; M1129-R1170 HydrophobicContact SD-CB 4.27Å; M1129-R1170 HydrophobicContact SD-CG 3.56Å; M1129-R1170 VanDerWaalsContact SD-CG 3.57Å; M1129-R1170 WeakPolarHBondContact SD-CG 3.39Å; M1129-F1173 HydrophobicContact CE-CB 3.85Å; M1129-F1173 HydrophobicContact CE-CD1 3.58Å; M1129-F1173 VanDerWaalsContact CE-CD1 3.49Å; M1129-F1173 HydrophobicContact CE-CD2 3.61Å; M1129-F1173 HydrophobicContact CE-CE1 3.97Å; M1129-F1173 HydrophobicContact CE-CE2 4Å; M1129-F1173 HydrophobicContact CE-CG 3.37Å; M1129-F1173 VanDerWaalsContact CE-CG 3.41Å; M1129-F1173 HydrophobicContact CE-CZ 4.18Å; M1129-F1173 HydrophobicContact SD-CB 4.17Å; M1129-F1173 HydrophobicContact SD-CG 4.33Å |
| 1130 | K | 92.4 | Very high | 90.8 | Very high | 138.6 Ų | 138.6 | 40.3 Ų | 40.3 | 60% | 0.603 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -62.2 | -46.2 | -178.2 | -172.9 | 173.6 | -179.1 | 177.1 | 0 | 112 | Q1126 N1127 L1128 L1132 E1133 D1134 | Q1126-K1130 PolarHBondContact O-N 3.14Å; Q1126-K1130 VanDerWaalsContact O-N 3.08Å; N1127-K1130 PolarHBondContact O-N 2.91Å; L1128-K1130 PolarHBondContact O-N 3.11Å; K1130-L1132 VanDerWaalsContact C-N 3.33Å; K1130-L1132 PolarHBondContact O-N 3.34Å; K1130-E1133 WeakPolarHBondContact O-CB 3.5Å; K1130-E1133 PolarHBondContact O-N 3.11Å; K1130-D1134 PolarHBondContact O-N 3.05Å; K1130-D1134 VanDerWaalsContact O-N 3.15Å |
| 1131 | C | 90.7 | Very high | 90.8 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -35.9 | 178.9 | -82.7 | 0 | 0 | 0 | 0 | 112.4 | Q1092 L1093 V1097 N1127 L1128 M1129 D1134 L1135 | Q1092-C1131 PolarHBondContact NE2-SG 3.26Å; Q1092-C1131 VanDerWaalsContact NE2-SG 3.43Å; L1093-C1131 HydrophobicContact CD1-CB 4.36Å; V1097-C1131 HydrophobicContact CG2-CB 4.18Å; V1097-C1131 VanDerWaalsContact CG2-SG 3.54Å; N1127-C1131 VanDerWaalsContact O-CB 3.3Å; N1127-C1131 WeakPolarHBondContact O-CB 3.42Å; N1127-C1131 PolarHBondContact O-N 3.11Å; N1127-C1131 VanDerWaalsContact O-N 3.09Å; N1127-C1131 PolarHBondContact O-SG 3.13Å; L1128-C1131 PolarHBondContact O-N 3.32Å; M1129-C1131 PolarHBondContact O-N 3.34Å; C1131-D1134 PolarHBondContact O-N 3.07Å; C1131-L1135 VanDerWaalsContact O-CB 3.3Å; C1131-L1135 WeakPolarHBondContact O-CB 3.37Å; C1131-L1135 PolarHBondContact O-N 3.16Å; C1131-L1135 VanDerWaalsContact O-N 3.1Å |
| 1132 | L | 91.7 | Very high | 90.7 | Very high | 0.8 Ų | 0.8 | 40.6 Ų | 40.6 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.1 | -35.6 | 174.8 | -73 | 175.8 | 0 | 0 | 0 | 112.6 | T1061 V1065 L1068 L1093 L1128 M1129 K1130 D1134 L1135 L1136 L1166 | T1061-L1132 HydrophobicContact CG2-CD1 3.42Å; T1061-L1132 VanDerWaalsContact CG2-CD1 3.42Å; V1065-L1132 HydrophobicContact CG2-CD1 4.16Å; V1065-L1132 HydrophobicContact CG2-CD2 3.96Å; V1065-L1132 HydrophobicContact CG2-CG 4.43Å; L1068-L1132 HydrophobicContact CD2-CD2 4.43Å; L1093-L1132 HydrophobicContact CD1-CD2 4.3Å; L1093-L1132 HydrophobicContact CD1-CG 4.49Å; L1093-L1132 HydrophobicContact CD2-CD2 3.71Å; L1128-L1132 HydrophobicContact CD1-CD1 3.73Å; L1128-L1132 HydrophobicContact CD1-CG 3.99Å; L1128-L1132 HydrophobicContact CD2-CD1 4.44Å; L1128-L1132 HydrophobicContact CG-CD1 3.79Å; L1128-L1132 HydrophobicContact CG-CG 4.38Å; L1128-L1132 WeakPolarHBondContact O-CB 3.37Å; L1128-L1132 VanDerWaalsContact O-CG 3.29Å; L1128-L1132 WeakPolarHBondContact O-CG 3.33Å; L1128-L1132 PolarHBondContact O-N 3.19Å; M1129-L1132 PolarHBondContact O-N 3.11Å; K1130-L1132 VanDerWaalsContact C-N 3.33Å; K1130-L1132 PolarHBondContact O-N 3.34Å; L1132-D1134 VanDerWaalsContact C-N 3.33Å; L1132-D1134 PolarHBondContact O-N 2.91Å; L1132-L1135 HydrophobicContact CD2-CD2 4.35Å; L1132-L1135 PolarHBondContact O-N 3.25Å; L1132-L1136 VanDerWaalsContact O-CB 3.25Å; L1132-L1136 WeakPolarHBondContact O-CB 3.4Å; L1132-L1136 WeakPolarHBondContact O-CG 3.38Å; L1132-L1136 PolarHBondContact O-N 3.18Å; L1132-L1166 HydrophobicContact CB-CD1 4.12Å; L1132-L1166 HydrophobicContact CB-CD2 4.33Å; L1132-L1166 HydrophobicContact CD1-CD1 4.25Å; L1132-L1166 HydrophobicContact CG-CD1 4.28Å |
| 1133 | E | 91.9 | Very high | 90.5 | Very high | 62.6 Ų | 62.6 | 40.4 Ų | 40.4 | 29% | 0.293 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 175 | -77.9 | 176.7 | -172.2 | 0 | 0 | 112.7 | M1129 K1130 R1137 L1166 R1170 | M1129-E1133 VanDerWaalsContact O-CG 3.3Å; M1129-E1133 WeakPolarHBondContact O-CG 3.32Å; M1129-E1133 PolarHBondContact O-N 3.05Å; K1130-E1133 WeakPolarHBondContact O-CB 3.5Å; K1130-E1133 PolarHBondContact O-N 3.11Å; E1133-R1137 VanDerWaalsContact C-NH2 3.35Å; E1133-R1137 WeakPolarHBondContact O-CB 3.28Å; E1133-R1137 WeakPolarHBondContact O-CG 3.36Å; E1133-R1137 PolarHBondContact O-N 3.11Å; E1133-R1137 VanDerWaalsContact O-N 3.14Å; E1133-R1137 PolarHBondContact O-NE 3.38Å; E1133-R1137 VanDerWaalsContact O-NE 3.08Å; E1133-R1137 PolarHBondContact O-NH2 3.38Å; E1133-L1166 HydrophobicContact CG-CD2 4.06Å; E1133-R1170 VanDerWaalsContact CG-NH2 3.34Å; E1133-R1170 IonicContact OE1-CZ 2.98Å; E1133-R1170 VanDerWaalsContact OE1-CZ 3.27Å; E1133-R1170 IonicContact OE1-NE 3.34Å; E1133-R1170 PolarHBondContact OE1-NE 3.18Å; E1133-R1170 IonicContact OE1-NH2 3.02Å; E1133-R1170 PolarHBondContact OE1-NH2 3.24Å; E1133-R1170 IonicContact OE2-NH2 2.72Å |
| 1134 | D | 89.8 | Confident | 90.2 | Very high | 59.4 Ų | 59.4 | 43 Ų | 43 | 32% | 0.318 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68 | -45.4 | 176.5 | -67.4 | -31.8 | 0 | 0 | 0 | 110.8 | K1130 C1131 L1132 L1136 R1137 S1138 | K1130-D1134 PolarHBondContact O-N 3.05Å; K1130-D1134 VanDerWaalsContact O-N 3.15Å; C1131-D1134 PolarHBondContact O-N 3.07Å; L1132-D1134 VanDerWaalsContact C-N 3.33Å; L1132-D1134 PolarHBondContact O-N 2.91Å; D1134-L1136 PolarHBondContact O-N 2.91Å; D1134-R1137 WeakPolarHBondContact O-CB 3.05Å; D1134-R1137 PolarHBondContact O-N 2.93Å; D1134-R1137 IonicContact OD1-CZ 3.01Å; D1134-R1137 IonicContact OD1-NH1 3.27Å; D1134-R1137 PolarHBondContact OD1-NH1 3.06Å; D1134-R1137 IonicContact OD1-NH2 3.43Å; D1134-R1137 PolarHBondContact OD1-NH2 3.23Å; D1134-S1138 PolarHBondContact O-N 2.97Å; D1134-S1138 PolarHBondContact O-OG 3.21Å |
| 1135 | L | 90.3 | Very high | 90 | Very high | 0.2 Ų | 0.2 | 46.4 Ų | 46.4 | 0% | 0.001 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 178.1 | 178.2 | 63.4 | 0 | 0 | 0 | 113.4 | L1068 L1086 D1089 L1090 L1093 C1131 L1132 R1137 S1138 A1139 | L1068-L1135 HydrophobicContact CD2-CD2 3.44Å; L1068-L1135 VanDerWaalsContact CD2-CD2 3.48Å; L1068-L1135 HydrophobicContact CD2-CG 4.06Å; L1068-L1135 HydrophobicContact CG-CD2 4.06Å; L1086-L1135 HydrophobicContact CD1-CD1 3.53Å; L1086-L1135 VanDerWaalsContact CD1-CD1 3.49Å; D1089-L1135 HydrophobicContact CB-CB 4.21Å; D1089-L1135 HydrophobicContact CB-CD1 3.7Å; D1089-L1135 HydrophobicContact CB-CG 4.48Å; L1090-L1135 HydrophobicContact CD2-CD1 3.81Å; L1090-L1135 HydrophobicContact CD2-CD2 3.85Å; L1090-L1135 HydrophobicContact CD2-CG 4.4Å; L1090-L1135 HydrophobicContact CG-CD1 3.8Å; L1093-L1135 HydrophobicContact CD2-CD2 3.34Å; L1093-L1135 VanDerWaalsContact CD2-CD2 3.46Å; C1131-L1135 VanDerWaalsContact O-CB 3.3Å; C1131-L1135 WeakPolarHBondContact O-CB 3.37Å; C1131-L1135 PolarHBondContact O-N 3.16Å; C1131-L1135 VanDerWaalsContact O-N 3.1Å; L1132-L1135 HydrophobicContact CD2-CD2 4.35Å; L1132-L1135 PolarHBondContact O-N 3.25Å; L1135-R1137 VanDerWaalsContact C-N 3.31Å; L1135-R1137 PolarHBondContact O-N 3.26Å; L1135-S1138 WeakPolarHBondContact CA-OG 3.38Å; L1135-S1138 WeakPolarHBondContact O-CB 3.32Å; L1135-S1138 PolarHBondContact O-N 3.11Å; L1135-S1138 PolarHBondContact O-OG 3.19Å; L1135-A1139 VanDerWaalsContact O-CB 3.3Å; L1135-A1139 WeakPolarHBondContact O-CB 3.36Å; L1135-A1139 PolarHBondContact O-N 3.27Å |
| 1136 | L | 91.7 | Very high | 89.6 | Confident | 7.8 Ų | 7.8 | 46.7 Ų | 46.7 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 178.6 | -71.2 | 171.3 | 0 | 0 | 0 | 110.8 | L1068 L1132 D1134 S1138 A1139 D1140 T1159 T1162 H1163 L1166 | L1068-L1136 HydrophobicContact CD2-CD2 4.29Å; L1132-L1136 VanDerWaalsContact O-CB 3.25Å; L1132-L1136 WeakPolarHBondContact O-CB 3.4Å; L1132-L1136 WeakPolarHBondContact O-CG 3.38Å; L1132-L1136 PolarHBondContact O-N 3.18Å; D1134-L1136 PolarHBondContact O-N 2.91Å; L1136-S1138 VanDerWaalsContact C-N 3.34Å; L1136-S1138 PolarHBondContact O-N 3.25Å; L1136-A1139 PolarHBondContact O-N 3.25Å; L1136-D1140 WeakPolarHBondContact O-CB 3.33Å; L1136-D1140 VanDerWaalsContact O-CG 3.3Å; L1136-D1140 PolarHBondContact O-N 3Å; L1136-T1159 HydrophobicContact CD2-CG2 3.92Å; L1136-T1159 WeakPolarHBondContact CD2-O 3.38Å; L1136-T1162 WeakPolarHBondContact CD2-OG1 3.4Å; L1136-H1163 HydrophobicContact CD1-CB 4.27Å; L1136-L1166 HydrophobicContact CD1-CD2 3.81Å |
| 1137 | R | 90.3 | Very high | 89.1 | Confident | 144.6 Ų | 144.6 | 51.3 Ų | 51.3 | 55% | 0.546 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 174.3 | -132.1 | -177.8 | -69.9 | 112.7 | 0.1 | 111.8 | E1133 D1134 L1135 A1141 | E1133-R1137 VanDerWaalsContact C-NH2 3.35Å; E1133-R1137 WeakPolarHBondContact O-CB 3.28Å; E1133-R1137 WeakPolarHBondContact O-CG 3.36Å; E1133-R1137 PolarHBondContact O-N 3.11Å; E1133-R1137 VanDerWaalsContact O-N 3.14Å; E1133-R1137 PolarHBondContact O-NE 3.38Å; E1133-R1137 VanDerWaalsContact O-NE 3.08Å; E1133-R1137 PolarHBondContact O-NH2 3.38Å; D1134-R1137 WeakPolarHBondContact O-CB 3.05Å; D1134-R1137 PolarHBondContact O-N 2.93Å; D1134-R1137 IonicContact OD1-CZ 3.01Å; D1134-R1137 IonicContact OD1-NH1 3.27Å; D1134-R1137 PolarHBondContact OD1-NH1 3.06Å; D1134-R1137 IonicContact OD1-NH2 3.43Å; D1134-R1137 PolarHBondContact OD1-NH2 3.23Å; L1135-R1137 VanDerWaalsContact C-N 3.31Å; L1135-R1137 PolarHBondContact O-N 3.26Å; R1137-A1141 WeakPolarHBondContact O-CB 3.33Å; R1137-A1141 PolarHBondContact O-N 3.15Å; R1137-A1141 VanDerWaalsContact O-N 3.15Å |
| 1138 | S | 88.7 | Confident | 88.6 | Confident | 15.2 Ų | 15.2 | 51 Ų | 51 | 11% | 0.106 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 174.9 | 19.2 | 0 | 0 | 0 | 0 | 112.2 | Q1085 D1089 D1134 L1135 L1136 A1141 V1142 | Q1085-S1138 WeakPolarHBondContact CG-OG 3.39Å; D1089-S1138 VanDerWaalsContact OD2-CB 3.29Å; D1089-S1138 WeakPolarHBondContact OD2-CB 3.34Å; D1089-S1138 PolarHBondContact OD2-OG 3.23Å; D1134-S1138 PolarHBondContact O-N 2.97Å; D1134-S1138 PolarHBondContact O-OG 3.21Å; L1135-S1138 WeakPolarHBondContact CA-OG 3.38Å; L1135-S1138 WeakPolarHBondContact O-CB 3.32Å; L1135-S1138 PolarHBondContact O-N 3.11Å; L1135-S1138 PolarHBondContact O-OG 3.19Å; L1136-S1138 VanDerWaalsContact C-N 3.34Å; L1136-S1138 PolarHBondContact O-N 3.25Å; S1138-A1141 PolarHBondContact O-N 3.28Å; S1138-V1142 VanDerWaalsContact O-CG2 3.3Å; S1138-V1142 WeakPolarHBondContact O-CG2 3.36Å; S1138-V1142 PolarHBondContact O-N 3.08Å; S1138-V1142 VanDerWaalsContact O-N 3.11Å |
| 1139 | A | 88.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1086 L1135 L1136 A1141 V1142 A1143 L1155 T1159 | L1086-A1139 HydrophobicContact CD1-CB 4.23Å; L1135-A1139 VanDerWaalsContact O-CB 3.3Å; L1135-A1139 WeakPolarHBondContact O-CB 3.36Å; L1135-A1139 PolarHBondContact O-N 3.27Å; L1136-A1139 PolarHBondContact O-N 3.25Å; A1139-A1141 VanDerWaalsContact C-N 3.31Å; A1139-A1141 PolarHBondContact O-N 3.33Å; A1139-V1142 PolarHBondContact O-N 3.17Å; A1139-A1143 PolarHBondContact O-N 3.07Å; A1139-L1155 HydrophobicContact CB-CD1 4.44Å; A1139-T1159 HydrophobicContact CB-CG2 3.88Å; A1139-T1159 VanDerWaalsContact CB-CG2 3.48Å |
| 1140 | D | 89.6 | Confident | 87.8 | Confident | 89.8 Ų | 89.8 | 54.2 Ų | 54.2 | 48% | 0.48 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.4 | -33.4 | 176.9 | -76.8 | -26 | 0 | 0 | 0 | 112.3 | L1136 V1142 P1144 | L1136-D1140 WeakPolarHBondContact O-CB 3.33Å; L1136-D1140 VanDerWaalsContact O-CG 3.3Å; L1136-D1140 PolarHBondContact O-N 3Å; D1140-V1142 VanDerWaalsContact C-N 3.35Å; D1140-P1144 VanDerWaalsContact O-CD 3.25Å; D1140-P1144 WeakPolarHBondContact O-CD 3.35Å |
| 1141 | A | 88.1 | Confident | 87.5 | Confident | 68.2 Ų | 68.2 | 47.9 Ų | 47.9 | 56% | 0.564 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70 | -33.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1137 S1138 A1139 P1144 | R1137-A1141 WeakPolarHBondContact O-CB 3.33Å; R1137-A1141 PolarHBondContact O-N 3.15Å; R1137-A1141 VanDerWaalsContact O-N 3.15Å; S1138-A1141 PolarHBondContact O-N 3.28Å; A1139-A1141 VanDerWaalsContact C-N 3.31Å; A1139-A1141 PolarHBondContact O-N 3.33Å; A1141-P1144 WeakPolarHBondContact O-CD 3.33Å |
| 1142 | V | 87.2 | Confident | 87.4 | Confident | 11.8 Ų | 11.8 | 50 Ų | 50 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -82 | -30.4 | 177.9 | 172 | 0 | 0 | 0 | 0 | 112 | V1075 T1083 L1086 S1138 A1139 D1140 P1144 T1145 I1146 | V1075-V1142 HydrophobicContact CG1-CG1 3.69Å; T1083-V1142 HydrophobicContact CG2-CG1 3.9Å; T1083-V1142 HydrophobicContact CG2-CG2 4.31Å; L1086-V1142 HydrophobicContact CB-CG2 4.33Å; L1086-V1142 HydrophobicContact CD2-CB 4.36Å; L1086-V1142 HydrophobicContact CD2-CG1 4.19Å; L1086-V1142 HydrophobicContact CD2-CG2 4.3Å; S1138-V1142 VanDerWaalsContact O-CG2 3.3Å; S1138-V1142 WeakPolarHBondContact O-CG2 3.36Å; S1138-V1142 PolarHBondContact O-N 3.08Å; S1138-V1142 VanDerWaalsContact O-N 3.11Å; A1139-V1142 PolarHBondContact O-N 3.17Å; D1140-V1142 VanDerWaalsContact C-N 3.35Å; V1142-P1144 VanDerWaalsContact C-CD 3.46Å; V1142-P1144 VanDerWaalsContact C-N 3.34Å; V1142-P1144 VanDerWaalsContact O-N 3.14Å; V1142-T1145 WeakPolarHBondContact O-CB 3.42Å; V1142-T1145 PolarHBondContact O-N 3.04Å; V1142-T1145 PolarHBondContact O-OG1 3.27Å; V1142-I1146 HydrophobicContact CG1-CD1 4.43Å; V1142-I1146 HydrophobicContact CG1-CG1 4.4Å |
| 1143 | A | 85.9 | Confident | 87.2 | Confident | 9.2 Ų | 9.2 | 51.8 Ų | 51.8 | 8% | 0.076 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -45.7 | -46.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1139 T1145 I1146 Q1152 L1155 T1156 | A1139-A1143 PolarHBondContact O-N 3.07Å; A1143-T1145 VanDerWaalsContact C-N 3.3Å; A1143-T1145 PolarHBondContact O-N 3.17Å; A1143-I1146 PolarHBondContact O-N 3.25Å; A1143-Q1152 WeakPolarHBondContact O-CG 3.36Å; A1143-Q1152 PolarHBondContact O-NE2 3.18Å; A1143-L1155 HydrophobicContact CB-CD2 4.4Å; A1143-T1156 HydrophobicContact CB-CG2 3.89Å |
| 1144 | P | 85.6 | Confident | 87 | Confident | 95.6 Ų | 95.6 | 49.2 Ų | 49.2 | 62% | 0.621 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -72.7 | -11.3 | 179.4 | 29.2 | -36.7 | 0 | 0 | 0 | 115.2 | D1140 A1141 V1142 | D1140-P1144 VanDerWaalsContact O-CD 3.25Å; D1140-P1144 WeakPolarHBondContact O-CD 3.35Å; A1141-P1144 WeakPolarHBondContact O-CD 3.33Å; V1142-P1144 VanDerWaalsContact C-CD 3.46Å; V1142-P1144 VanDerWaalsContact C-N 3.34Å; V1142-P1144 VanDerWaalsContact O-N 3.14Å |
| 1145 | T | 84.4 | Confident | 87 | Confident | 70.4 Ų | 70.4 | 46.4 Ų | 46.4 | 43% | 0.432 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -89.4 | -10.4 | -179.3 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | V1142 A1143 E1147 | V1142-T1145 WeakPolarHBondContact O-CB 3.42Å; V1142-T1145 PolarHBondContact O-N 3.04Å; V1142-T1145 PolarHBondContact O-OG1 3.27Å; A1143-T1145 VanDerWaalsContact C-N 3.3Å; A1143-T1145 PolarHBondContact O-N 3.17Å; T1145-E1147 PolarHBondContact O-N 2.95Å |
| 1146 | I | 83.2 | Confident | 87 | Confident | 7.6 Ų | 7.6 | 48.7 Ų | 48.7 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | trans | -78.5 | 118.1 | -177.8 | -57.5 | 166.7 | 0 | 0 | 0 | 109.6 | V1075 V1142 A1143 D1148 V1151 Q1152 L1155 | V1075-I1146 HydrophobicContact CB-CD1 4.5Å; V1075-I1146 HydrophobicContact CG1-CD1 3.84Å; V1075-I1146 HydrophobicContact CG1-CG1 4.12Å; V1075-I1146 HydrophobicContact CG2-CD1 3.85Å; V1075-I1146 HydrophobicContact CG2-CG1 4.47Å; V1142-I1146 HydrophobicContact CG1-CD1 4.43Å; V1142-I1146 HydrophobicContact CG1-CG1 4.4Å; A1143-I1146 PolarHBondContact O-N 3.25Å; I1146-D1148 VanDerWaalsContact C-N 3.34Å; I1146-D1148 HydrophobicContact CG2-CB 4.34Å; I1146-D1148 WeakPolarHBondContact CG2-O 3.39Å; I1146-D1148 PolarHBondContact O-N 3.5Å; I1146-V1151 HydrophobicContact CG2-CB 4.09Å; I1146-V1151 HydrophobicContact CG2-CG1 4.19Å; I1146-Q1152 HydrophobicContact CB-CB 4.07Å; I1146-Q1152 HydrophobicContact CB-CG 4.48Å; I1146-Q1152 HydrophobicContact CD1-CB 4.45Å; I1146-Q1152 HydrophobicContact CG2-CB 4.05Å; I1146-L1155 HydrophobicContact CD1-CB 4.45Å; I1146-L1155 HydrophobicContact CD1-CD2 3.7Å | ||
| 1147 | E | 82.2 | Confident | 86.8 | Confident | 194.6 Ų | 194.6 | 50.7 Ų | 50.7 | 91% | 0.909 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -71.1 | -30.8 | 178.5 | -62.9 | -173.3 | 167.9 | 0 | 0 | 113.1 | T1145 S1149 | T1145-E1147 PolarHBondContact O-N 2.95Å; E1147-S1149 PolarHBondContact O-N 3.19Å |
| 1148 | D | 82.6 | Confident | 86.6 | Confident | 63.4 Ų | 63.4 | 44.6 Ų | 44.6 | 34% | 0.339 | 27% | 0.265 | S | S | . | . | trans | -82.3 | 105.9 | -179.5 | -172.1 | -22.8 | 0 | 0 | 0 | 110.8 | R526 I1146 G1150 V1151 Q1152 | R526-D1148 IonicContact CZ-OD1 3.73Å; R526-D1148 IonicContact CZ-OD2 3.01Å; R526-D1148 IonicContact NH1-OD1 3.22Å; R526-D1148 IonicContact NH1-OD2 2.83Å; R526-D1148 PolarHBondContact NH1-OD2 3.5Å; R526-D1148 IonicContact NH2-OD1 3.35Å; R526-D1148 PolarHBondContact NH2-OD1 3.08Å; R526-D1148 IonicContact NH2-OD2 2.96Å; R526-D1148 PolarHBondContact NH2-OD2 3.16Å; I1146-D1148 VanDerWaalsContact C-N 3.34Å; I1146-D1148 HydrophobicContact CG2-CB 4.34Å; I1146-D1148 WeakPolarHBondContact CG2-O 3.39Å; I1146-D1148 PolarHBondContact O-N 3.5Å; D1148-G1150 PolarHBondContact O-N 3.12Å; D1148-G1150 VanDerWaalsContact O-N 3.15Å; D1148-G1150 PolarHBondContact OD1-N 3.15Å; D1148-V1151 HydrophobicContact CB-CB 4.15Å; D1148-V1151 HydrophobicContact CB-CG2 3.91Å; D1148-V1151 VanDerWaalsContact CG-CG2 3.46Å; D1148-V1151 PolarHBondContact O-N 3.24Å; D1148-V1151 VanDerWaalsContact O-N 3.14Å; D1148-V1151 PolarHBondContact OD1-N 3.16Å; D1148-V1151 VanDerWaalsContact OD2-CG2 3.32Å; D1148-V1151 WeakPolarHBondContact OD2-CG2 3.3Å; D1148-Q1152 WeakPolarHBondContact O-CB 3.34Å; D1148-Q1152 PolarHBondContact O-N 3.24Å | ||
| 1149 | S | 83.8 | Confident | 86.7 | Confident | 72.6 Ų | 72.6 | 44.1 Ų | 44.1 | 51% | 0.508 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.9 | -32.1 | -179.9 | -176 | 0 | 0 | 0 | 0 | 113.7 | E1147 S1153 | E1147-S1149 PolarHBondContact O-N 3.19Å; S1149-S1153 WeakPolarHBondContact O-CB 3.39Å; S1149-S1153 PolarHBondContact O-N 3.22Å; S1149-S1153 VanDerWaalsContact O-N 3.09Å; S1149-S1153 PolarHBondContact O-OG 3.07Å |
| 1150 | G | 84.1 | Confident | 86.8 | Confident | 8.8 Ų | 8.8 | 51.1 Ų | 51.1 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.9 | -43.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D616 D1148 S1153 A1154 | D616-G1150 VanDerWaalsContact OD2-CA 3.24Å; D616-G1150 WeakPolarHBondContact OD2-CA 3.23Å; D616-G1150 PolarHBondContact OD2-N 3.17Å; D1148-G1150 PolarHBondContact O-N 3.12Å; D1148-G1150 VanDerWaalsContact O-N 3.15Å; D1148-G1150 PolarHBondContact OD1-N 3.15Å; G1150-S1153 WeakPolarHBondContact CA-OG 3.43Å; G1150-S1153 PolarHBondContact O-N 3.01Å; G1150-S1153 PolarHBondContact O-OG 3.22Å; G1150-A1154 VanDerWaalsContact O-CB 3.3Å; G1150-A1154 WeakPolarHBondContact O-CB 3.39Å; G1150-A1154 PolarHBondContact O-N 3.35Å |
| 1151 | V | 86.1 | Confident | 86.7 | Confident | 5.6 Ų | 5.6 | 47.3 Ų | 47.3 | 3% | 0.034 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 176 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | T620 M624 V1075 I1078 I1146 D1148 S1153 A1154 L1155 | T620-V1151 HydrophobicContact CG2-CG2 4.12Å; M624-V1151 HydrophobicContact CE-CB 4.08Å; M624-V1151 HydrophobicContact CE-CG1 3.82Å; M624-V1151 HydrophobicContact CE-CG2 3.53Å; V1075-V1151 HydrophobicContact CG2-CG1 3.55Å; V1075-V1151 VanDerWaalsContact CG2-CG1 3.49Å; I1078-V1151 HydrophobicContact CD1-CG1 4.3Å; I1078-V1151 HydrophobicContact CD1-CG2 4.11Å; I1146-V1151 HydrophobicContact CG2-CB 4.09Å; I1146-V1151 HydrophobicContact CG2-CG1 4.19Å; D1148-V1151 HydrophobicContact CB-CB 4.15Å; D1148-V1151 HydrophobicContact CB-CG2 3.91Å; D1148-V1151 VanDerWaalsContact CG-CG2 3.46Å; D1148-V1151 PolarHBondContact O-N 3.24Å; D1148-V1151 VanDerWaalsContact O-N 3.14Å; D1148-V1151 PolarHBondContact OD1-N 3.16Å; D1148-V1151 VanDerWaalsContact OD2-CG2 3.32Å; D1148-V1151 WeakPolarHBondContact OD2-CG2 3.3Å; V1151-S1153 PolarHBondContact O-N 3.49Å; V1151-A1154 PolarHBondContact O-N 3.3Å; V1151-L1155 PolarHBondContact O-N 3.05Å |
| 1152 | Q | 88.7 | Confident | 86.8 | Confident | 61.8 Ų | 61.8 | 44.2 Ų | 44.2 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58 | -49.4 | 176.1 | -178.8 | 178.9 | 46.1 | 0 | 0 | 111.5 | A1143 I1146 D1148 A1154 L1155 T1156 | A1143-Q1152 WeakPolarHBondContact O-CG 3.36Å; A1143-Q1152 PolarHBondContact O-NE2 3.18Å; I1146-Q1152 HydrophobicContact CB-CB 4.07Å; I1146-Q1152 HydrophobicContact CB-CG 4.48Å; I1146-Q1152 HydrophobicContact CD1-CB 4.45Å; I1146-Q1152 HydrophobicContact CG2-CB 4.05Å; D1148-Q1152 WeakPolarHBondContact O-CB 3.34Å; D1148-Q1152 PolarHBondContact O-N 3.24Å; Q1152-A1154 VanDerWaalsContact C-N 3.34Å; Q1152-A1154 PolarHBondContact O-N 3.13Å; Q1152-L1155 PolarHBondContact O-N 3.14Å; Q1152-T1156 WeakPolarHBondContact O-CB 3.36Å; Q1152-T1156 WeakPolarHBondContact O-CG2 3.42Å; Q1152-T1156 PolarHBondContact O-N 3.02Å; Q1152-T1156 PolarHBondContact O-OG1 3.19Å |
| 1153 | S | 88 | Confident | 86.9 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 177.5 | 152 | 0 | 0 | 0 | 0 | 111.5 | A617 S1149 G1150 V1151 L1155 T1156 D1157 | A617-S1153 VanDerWaalsContact CB-CB 3.49Å; A617-S1153 WeakPolarHBondContact CB-OG 3.19Å; S1149-S1153 WeakPolarHBondContact O-CB 3.39Å; S1149-S1153 PolarHBondContact O-N 3.22Å; S1149-S1153 VanDerWaalsContact O-N 3.09Å; S1149-S1153 PolarHBondContact O-OG 3.07Å; G1150-S1153 WeakPolarHBondContact CA-OG 3.43Å; G1150-S1153 PolarHBondContact O-N 3.01Å; G1150-S1153 PolarHBondContact O-OG 3.22Å; V1151-S1153 PolarHBondContact O-N 3.49Å; S1153-L1155 VanDerWaalsContact C-N 3.33Å; S1153-L1155 PolarHBondContact O-N 3.2Å; S1153-T1156 VanDerWaalsContact CA-OG1 3.3Å; S1153-T1156 WeakPolarHBondContact CA-OG1 3.39Å; S1153-T1156 PolarHBondContact O-N 3.08Å; S1153-T1156 VanDerWaalsContact O-N 3.12Å; S1153-T1156 PolarHBondContact O-OG1 3.13Å; S1153-D1157 VanDerWaalsContact O-CB 3.24Å; S1153-D1157 WeakPolarHBondContact O-CB 3.33Å; S1153-D1157 VanDerWaalsContact O-CG 3.27Å; S1153-D1157 PolarHBondContact O-N 3.1Å; S1153-D1157 VanDerWaalsContact O-OD2 3.09Å; S1153-D1157 PolarHBondContact OG-OD2 3.2Å |
| 1154 | A | 87.3 | Confident | 87 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T620 V1071 G1150 V1151 Q1152 D1157 V1158 | T620-A1154 HydrophobicContact CG2-CB 4.31Å; V1071-A1154 HydrophobicContact CG1-CB 4.28Å; G1150-A1154 VanDerWaalsContact O-CB 3.3Å; G1150-A1154 WeakPolarHBondContact O-CB 3.39Å; G1150-A1154 PolarHBondContact O-N 3.35Å; V1151-A1154 PolarHBondContact O-N 3.3Å; Q1152-A1154 VanDerWaalsContact C-N 3.34Å; Q1152-A1154 PolarHBondContact O-N 3.13Å; A1154-D1157 PolarHBondContact O-N 3.3Å; A1154-V1158 WeakPolarHBondContact O-CB 3.42Å; A1154-V1158 VanDerWaalsContact O-CG2 3.27Å; A1154-V1158 WeakPolarHBondContact O-CG2 3.34Å; A1154-V1158 PolarHBondContact O-N 3.29Å; A1154-V1158 VanDerWaalsContact O-N 3.1Å |
| 1155 | L | 89.8 | Confident | 87.1 | Confident | 0.2 Ų | 0.2 | 44.3 Ų | 44.3 | 0% | 0.001 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -49.6 | 174.8 | -178.1 | 67.7 | 0 | 0 | 0 | 110.7 | L1068 V1071 V1075 A1139 A1143 I1146 V1151 Q1152 S1153 D1157 V1158 T1159 | L1068-L1155 HydrophobicContact CD1-CD1 4.27Å; V1071-L1155 HydrophobicContact CG1-CB 3.96Å; V1071-L1155 HydrophobicContact CG1-CD1 4.16Å; V1075-L1155 HydrophobicContact CG1-CD2 4.42Å; V1075-L1155 HydrophobicContact CG2-CB 4.39Å; V1075-L1155 HydrophobicContact CG2-CD1 4.47Å; V1075-L1155 HydrophobicContact CG2-CD2 4.2Å; A1139-L1155 HydrophobicContact CB-CD1 4.44Å; A1143-L1155 HydrophobicContact CB-CD2 4.4Å; I1146-L1155 HydrophobicContact CD1-CB 4.45Å; I1146-L1155 HydrophobicContact CD1-CD2 3.7Å; V1151-L1155 PolarHBondContact O-N 3.05Å; Q1152-L1155 PolarHBondContact O-N 3.14Å; S1153-L1155 VanDerWaalsContact C-N 3.33Å; S1153-L1155 PolarHBondContact O-N 3.2Å; L1155-D1157 VanDerWaalsContact C-N 3.3Å; L1155-D1157 PolarHBondContact O-N 3.24Å; L1155-V1158 PolarHBondContact O-N 3.18Å; L1155-T1159 HydrophobicContact CD1-CG2 4.25Å; L1155-T1159 HydrophobicContact CG-CG2 4.32Å; L1155-T1159 VanDerWaalsContact O-CB 3.27Å; L1155-T1159 WeakPolarHBondContact O-CB 3.41Å; L1155-T1159 VanDerWaalsContact O-CG2 3.28Å; L1155-T1159 WeakPolarHBondContact O-CG2 3.34Å; L1155-T1159 PolarHBondContact O-N 3.18Å; L1155-T1159 PolarHBondContact O-OG1 3.18Å |
| 1156 | T | 90.2 | Very high | 87.4 | Confident | 48.4 Ų | 48.4 | 41 Ų | 41 | 30% | 0.297 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.4 | -36.2 | -178.8 | 15.4 | 0 | 0 | 0 | 0 | 112.5 | A1143 Q1152 S1153 T1159 R1160 | A1143-T1156 HydrophobicContact CB-CG2 3.89Å; Q1152-T1156 WeakPolarHBondContact O-CB 3.36Å; Q1152-T1156 WeakPolarHBondContact O-CG2 3.42Å; Q1152-T1156 PolarHBondContact O-N 3.02Å; Q1152-T1156 PolarHBondContact O-OG1 3.19Å; S1153-T1156 VanDerWaalsContact CA-OG1 3.3Å; S1153-T1156 WeakPolarHBondContact CA-OG1 3.39Å; S1153-T1156 PolarHBondContact O-N 3.08Å; S1153-T1156 VanDerWaalsContact O-N 3.12Å; S1153-T1156 PolarHBondContact O-OG1 3.13Å; T1156-T1159 WeakPolarHBondContact CA-OG1 3.3Å; T1156-T1159 PolarHBondContact O-N 2.78Å; T1156-T1159 PolarHBondContact O-OG1 3.29Å; T1156-R1160 VanDerWaalsContact CG2-CZ 3.42Å; T1156-R1160 VanDerWaalsContact O-CB 3.27Å; T1156-R1160 WeakPolarHBondContact O-CB 3.31Å; T1156-R1160 WeakPolarHBondContact O-CD 3.42Å; T1156-R1160 WeakPolarHBondContact O-CG 3.33Å; T1156-R1160 PolarHBondContact O-N 3.25Å |
| 1157 | D | 87.5 | Confident | 87.6 | Confident | 50.2 Ų | 50.2 | 43.5 Ų | 43.5 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.3 | -44.3 | 178.8 | -78.3 | -33.5 | 0 | 0 | 0 | 111.6 | R587 S1153 A1154 L1155 R1160 N1161 | R587-D1157 IonicContact NE-OD1 3.15Å; R587-D1157 IonicContact NE-OD2 2.69Å; R587-D1157 IonicContact NH2-OD1 2.75Å; S1153-D1157 VanDerWaalsContact O-CB 3.24Å; S1153-D1157 WeakPolarHBondContact O-CB 3.33Å; S1153-D1157 VanDerWaalsContact O-CG 3.27Å; S1153-D1157 PolarHBondContact O-N 3.1Å; S1153-D1157 VanDerWaalsContact O-OD2 3.09Å; S1153-D1157 PolarHBondContact OG-OD2 3.2Å; A1154-D1157 PolarHBondContact O-N 3.3Å; L1155-D1157 VanDerWaalsContact C-N 3.3Å; L1155-D1157 PolarHBondContact O-N 3.24Å; D1157-R1160 PolarHBondContact O-N 3.15Å; D1157-R1160 IonicContact OD1-NH1 2.99Å; D1157-R1160 PolarHBondContact OD1-NH1 3.32Å; D1157-N1161 WeakPolarHBondContact O-CB 3.41Å; D1157-N1161 PolarHBondContact O-N 3Å; D1157-N1161 VanDerWaalsContact O-N 3.13Å |
| 1158 | V | 87.7 | Confident | 87.8 | Confident | 15.6 Ų | 15.6 | 36.3 Ų | 36.3 | 10% | 0.095 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | P1067 L1068 V1071 A1154 L1155 R1160 N1161 T1162 | P1067-V1158 HydrophobicContact CB-CG1 4Å; P1067-V1158 HydrophobicContact CB-CG2 4.23Å; L1068-V1158 VanDerWaalsContact CA-CG1 3.49Å; L1068-V1158 HydrophobicContact CB-CG1 3.75Å; L1068-V1158 HydrophobicContact CD1-CG1 4.13Å; L1068-V1158 HydrophobicContact CG-CG1 4.46Å; L1068-V1158 VanDerWaalsContact N-CG1 3.32Å; V1071-V1158 HydrophobicContact CG2-CG2 4.33Å; A1154-V1158 WeakPolarHBondContact O-CB 3.42Å; A1154-V1158 VanDerWaalsContact O-CG2 3.27Å; A1154-V1158 WeakPolarHBondContact O-CG2 3.34Å; A1154-V1158 PolarHBondContact O-N 3.29Å; A1154-V1158 VanDerWaalsContact O-N 3.1Å; L1155-V1158 PolarHBondContact O-N 3.18Å; V1158-R1160 VanDerWaalsContact C-N 3.3Å; V1158-R1160 PolarHBondContact O-N 3.14Å; V1158-N1161 PolarHBondContact O-N 3.13Å; V1158-N1161 VanDerWaalsContact O-N 3.15Å; V1158-T1162 HydrophobicContact CG1-CG2 4.47Å; V1158-T1162 WeakPolarHBondContact O-CB 3.32Å; V1158-T1162 WeakPolarHBondContact O-CG2 3.42Å; V1158-T1162 PolarHBondContact O-N 3.12Å; V1158-T1162 PolarHBondContact O-OG1 3.3Å |
| 1159 | T | 90.6 | Very high | 88.1 | Confident | 5.6 Ų | 5.6 | 33.3 Ų | 33.3 | 3% | 0.034 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 175 | 16 | 0 | 0 | 0 | 0 | 111.6 | L1068 L1136 A1139 L1155 T1156 T1162 H1163 | L1068-T1159 HydrophobicContact CD1-CG2 3.8Å; L1136-T1159 HydrophobicContact CD2-CG2 3.92Å; L1136-T1159 WeakPolarHBondContact CD2-O 3.38Å; A1139-T1159 HydrophobicContact CB-CG2 3.88Å; A1139-T1159 VanDerWaalsContact CB-CG2 3.48Å; L1155-T1159 HydrophobicContact CD1-CG2 4.25Å; L1155-T1159 HydrophobicContact CG-CG2 4.32Å; L1155-T1159 VanDerWaalsContact O-CB 3.27Å; L1155-T1159 WeakPolarHBondContact O-CB 3.41Å; L1155-T1159 VanDerWaalsContact O-CG2 3.28Å; L1155-T1159 WeakPolarHBondContact O-CG2 3.34Å; L1155-T1159 PolarHBondContact O-N 3.18Å; L1155-T1159 PolarHBondContact O-OG1 3.18Å; T1156-T1159 WeakPolarHBondContact CA-OG1 3.3Å; T1156-T1159 PolarHBondContact O-N 2.78Å; T1156-T1159 PolarHBondContact O-OG1 3.29Å; T1159-T1162 VanDerWaalsContact C-OG1 3.3Å; T1159-T1162 VanDerWaalsContact CA-OG1 3.26Å; T1159-T1162 WeakPolarHBondContact CA-OG1 3.29Å; T1159-T1162 PolarHBondContact O-N 3.18Å; T1159-T1162 PolarHBondContact O-OG1 3.13Å; T1159-H1163 VanDerWaalsContact O-CB 3.22Å; T1159-H1163 WeakPolarHBondContact O-CB 3.36Å; T1159-H1163 PolarHBondContact O-N 3.14Å |
| 1160 | R | 89.5 | Confident | 88.4 | Confident | 147.2 Ų | 147.2 | 33.9 Ų | 33.9 | 56% | 0.555 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -64.8 | -43.8 | 175.2 | -157.1 | 178.7 | 113.1 | 120.5 | -1 | 112.4 | E849 T1156 D1157 V1158 H1163 A1164 | E849-R1160 IonicContact OE1-NH2 3.96Å; E849-R1160 PolarHBondContact OE1-NH2 3.28Å; T1156-R1160 VanDerWaalsContact CG2-CZ 3.42Å; T1156-R1160 VanDerWaalsContact O-CB 3.27Å; T1156-R1160 WeakPolarHBondContact O-CB 3.31Å; T1156-R1160 WeakPolarHBondContact O-CD 3.42Å; T1156-R1160 WeakPolarHBondContact O-CG 3.33Å; T1156-R1160 PolarHBondContact O-N 3.25Å; D1157-R1160 PolarHBondContact O-N 3.15Å; D1157-R1160 IonicContact OD1-NH1 2.99Å; D1157-R1160 PolarHBondContact OD1-NH1 3.32Å; V1158-R1160 VanDerWaalsContact C-N 3.3Å; V1158-R1160 PolarHBondContact O-N 3.14Å; R1160-H1163 PolarHBondContact O-N 3.12Å; R1160-A1164 PolarHBondContact O-N 2.99Å; R1160-A1164 VanDerWaalsContact O-N 3.1Å |
| 1161 | N | 87.8 | Confident | 88.5 | Confident | 10.4 Ų | 10.4 | 37.5 Ų | 37.5 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 178.1 | -172.2 | 48.2 | 0 | 0 | 0 | 111.6 | Q847 P848 E849 N1064 D1157 V1158 H1163 A1164 C1165 | Q847-N1161 PolarHBondContact OE1-ND2 3.22Å; Q847-N1161 VanDerWaalsContact OE1-ND2 3.13Å; P848-N1161 WeakPolarHBondContact CG-OD1 3.3Å; E849-N1161 HydrophobicContact CB-CB 4.48Å; E849-N1161 VanDerWaalsContact CB-OD1 3.27Å; E849-N1161 WeakPolarHBondContact CB-OD1 3.34Å; E849-N1161 PolarHBondContact N-OD1 3.09Å; N1064-N1161 PolarHBondContact ND2-ND2 2.92Å; N1064-N1161 PolarHBondContact OD1-ND2 3.11Å; D1157-N1161 WeakPolarHBondContact O-CB 3.41Å; D1157-N1161 PolarHBondContact O-N 3Å; D1157-N1161 VanDerWaalsContact O-N 3.13Å; V1158-N1161 PolarHBondContact O-N 3.13Å; V1158-N1161 VanDerWaalsContact O-N 3.15Å; N1161-H1163 VanDerWaalsContact C-N 3.34Å; N1161-H1163 PolarHBondContact O-N 3.38Å; N1161-A1164 WeakPolarHBondContact O-CB 3.3Å; N1161-A1164 PolarHBondContact O-N 3.11Å; N1161-C1165 PolarHBondContact O-N 3.1Å; N1161-C1165 VanDerWaalsContact O-N 3.09Å; N1161-C1165 PolarHBondContact O-SG 3.18Å |
| 1162 | T | 89.7 | Confident | 88.3 | Confident | 1.4 Ų | 1.4 | 37.5 Ų | 37.5 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -37.4 | 173.4 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | N1064 L1068 L1136 V1158 T1159 A1164 C1165 L1166 | N1064-T1162 HydrophobicContact CB-CG2 3.67Å; N1064-T1162 VanDerWaalsContact CB-CG2 3.45Å; N1064-T1162 VanDerWaalsContact O-CG2 3.27Å; N1064-T1162 WeakPolarHBondContact O-CG2 3.38Å; L1068-T1162 HydrophobicContact CB-CG2 4.23Å; L1068-T1162 HydrophobicContact CD2-CG2 4.17Å; L1136-T1162 WeakPolarHBondContact CD2-OG1 3.4Å; V1158-T1162 HydrophobicContact CG1-CG2 4.47Å; V1158-T1162 WeakPolarHBondContact O-CB 3.32Å; V1158-T1162 WeakPolarHBondContact O-CG2 3.42Å; V1158-T1162 PolarHBondContact O-N 3.12Å; V1158-T1162 PolarHBondContact O-OG1 3.3Å; T1159-T1162 VanDerWaalsContact C-OG1 3.3Å; T1159-T1162 VanDerWaalsContact CA-OG1 3.26Å; T1159-T1162 WeakPolarHBondContact CA-OG1 3.29Å; T1159-T1162 PolarHBondContact O-N 3.18Å; T1159-T1162 PolarHBondContact O-OG1 3.13Å; T1162-A1164 VanDerWaalsContact C-N 3.34Å; T1162-A1164 PolarHBondContact O-N 3.02Å; T1162-C1165 PolarHBondContact O-N 3.16Å; T1162-L1166 VanDerWaalsContact O-CB 3.26Å; T1162-L1166 WeakPolarHBondContact O-CB 3.38Å; T1162-L1166 PolarHBondContact O-N 3.21Å |
| 1163 | H | 90.8 | Very high | 88.3 | Confident | 90.8 Ų | 90.8 | 35.2 Ų | 35.2 | 42% | 0.42 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 174.3 | -172.2 | -69.2 | 0 | 0 | 0 | 111.9 | L1136 T1159 R1160 N1161 L1166 T1167 | L1136-H1163 HydrophobicContact CD1-CB 4.27Å; T1159-H1163 VanDerWaalsContact O-CB 3.22Å; T1159-H1163 WeakPolarHBondContact O-CB 3.36Å; T1159-H1163 PolarHBondContact O-N 3.14Å; R1160-H1163 PolarHBondContact O-N 3.12Å; N1161-H1163 VanDerWaalsContact C-N 3.34Å; N1161-H1163 PolarHBondContact O-N 3.38Å; H1163-L1166 PolarHBondContact O-N 2.93Å; H1163-T1167 PolarHBondContact ND1-OG1 3.19Å; H1163-T1167 WeakPolarHBondContact O-CG2 3.39Å; H1163-T1167 PolarHBondContact O-N 3.19Å; H1163-T1167 PolarHBondContact O-OG1 3.11Å |
| 1164 | A | 87.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 23% | 0.231 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -51.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P848 R1160 N1161 T1162 L1166 T1167 D1168 | P848-A1164 HydrophobicContact CB-CB 4.27Å; P848-A1164 HydrophobicContact CG-CB 3.91Å; R1160-A1164 PolarHBondContact O-N 2.99Å; R1160-A1164 VanDerWaalsContact O-N 3.1Å; N1161-A1164 WeakPolarHBondContact O-CB 3.3Å; N1161-A1164 PolarHBondContact O-N 3.11Å; T1162-A1164 VanDerWaalsContact C-N 3.34Å; T1162-A1164 PolarHBondContact O-N 3.02Å; A1164-L1166 VanDerWaalsContact C-N 3.29Å; A1164-L1166 PolarHBondContact O-N 3.14Å; A1164-T1167 WeakPolarHBondContact CA-OG1 3.4Å; A1164-T1167 WeakPolarHBondContact O-CA 3.47Å; A1164-T1167 WeakPolarHBondContact O-CB 3.27Å; A1164-T1167 PolarHBondContact O-N 3.25Å; A1164-T1167 VanDerWaalsContact O-N 3.14Å; A1164-T1167 PolarHBondContact O-OG1 2.92Å; A1164-D1168 PolarHBondContact O-N 3.14Å; A1164-D1168 VanDerWaalsContact O-N 3.13Å |
| 1165 | C | 87.4 | Confident | 87.8 | Confident | 0.4 Ų | 0.4 | 37.2 Ų | 37.2 | 0% | 0.003 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | P848 T1061 N1064 N1161 T1162 T1167 D1168 L1169 | P848-C1165 VanDerWaalsContact CD-SG 3.55Å; P848-C1165 WeakPolarHBondContact CD-SG 3.35Å; P848-C1165 VanDerWaalsContact CG-SG 3.56Å; T1061-C1165 HydrophobicContact CG2-CB 4.4Å; T1061-C1165 PolarHBondContact OG1-O 3.09Å; N1064-C1165 PolarHBondContact ND2-SG 3.16Å; N1064-C1165 VanDerWaalsContact ND2-SG 3.43Å; N1161-C1165 PolarHBondContact O-N 3.1Å; N1161-C1165 VanDerWaalsContact O-N 3.09Å; N1161-C1165 PolarHBondContact O-SG 3.18Å; T1162-C1165 PolarHBondContact O-N 3.16Å; C1165-T1167 VanDerWaalsContact C-N 3.32Å; C1165-T1167 PolarHBondContact O-N 3.17Å; C1165-D1168 PolarHBondContact O-N 3.26Å; C1165-L1169 WeakPolarHBondContact O-CB 3.33Å; C1165-L1169 PolarHBondContact O-N 3.1Å |
| 1166 | L | 90.6 | Very high | 87.5 | Confident | 0.6 Ų | 0.6 | 37.3 Ų | 37.3 | 0% | 0.003 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -38.1 | 176.1 | -178.3 | 74.6 | 0 | 0 | 0 | 112 | M1129 L1132 E1133 L1136 T1162 H1163 A1164 D1168 L1169 R1170 | M1129-L1166 HydrophobicContact CB-CD1 4.02Å; M1129-L1166 HydrophobicContact CG-CD1 3.77Å; L1132-L1166 HydrophobicContact CB-CD1 4.12Å; L1132-L1166 HydrophobicContact CB-CD2 4.33Å; L1132-L1166 HydrophobicContact CD1-CD1 4.25Å; L1132-L1166 HydrophobicContact CG-CD1 4.28Å; E1133-L1166 HydrophobicContact CG-CD2 4.06Å; L1136-L1166 HydrophobicContact CD1-CD2 3.81Å; T1162-L1166 VanDerWaalsContact O-CB 3.26Å; T1162-L1166 WeakPolarHBondContact O-CB 3.38Å; T1162-L1166 PolarHBondContact O-N 3.21Å; H1163-L1166 PolarHBondContact O-N 2.93Å; A1164-L1166 VanDerWaalsContact C-N 3.29Å; A1164-L1166 PolarHBondContact O-N 3.14Å; L1166-D1168 VanDerWaalsContact C-N 3.33Å; L1166-D1168 PolarHBondContact O-N 2.88Å; L1166-L1169 HydrophobicContact CD1-CD2 4.32Å; L1166-L1169 PolarHBondContact O-N 3.06Å; L1166-R1170 WeakPolarHBondContact O-CB 3.34Å; L1166-R1170 WeakPolarHBondContact O-CG 3.34Å; L1166-R1170 PolarHBondContact O-N 3.41Å |
| 1167 | T | 88.3 | Confident | 87.3 | Confident | 60.2 Ų | 60.2 | 39.3 Ų | 39.3 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.2 | 11.8 | 0 | 0 | 0 | 0 | 111.8 | H1163 A1164 C1165 R1170 L1171 | H1163-T1167 PolarHBondContact ND1-OG1 3.19Å; H1163-T1167 WeakPolarHBondContact O-CG2 3.39Å; H1163-T1167 PolarHBondContact O-N 3.19Å; H1163-T1167 PolarHBondContact O-OG1 3.11Å; A1164-T1167 WeakPolarHBondContact CA-OG1 3.4Å; A1164-T1167 WeakPolarHBondContact O-CA 3.47Å; A1164-T1167 WeakPolarHBondContact O-CB 3.27Å; A1164-T1167 PolarHBondContact O-N 3.25Å; A1164-T1167 VanDerWaalsContact O-N 3.14Å; A1164-T1167 PolarHBondContact O-OG1 2.92Å; C1165-T1167 VanDerWaalsContact C-N 3.32Å; C1165-T1167 PolarHBondContact O-N 3.17Å; T1167-R1170 PolarHBondContact O-N 3.09Å; T1167-L1171 PolarHBondContact O-N 3.04Å; T1167-L1171 VanDerWaalsContact O-N 3.14Å |
| 1168 | D | 84.6 | Confident | 86.8 | Confident | 43.8 Ų | 43.8 | 40.2 Ų | 40.2 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.9 | -39.5 | 177 | -64.3 | -36 | 0 | 0 | 0 | 111.6 | I928 A1164 C1165 L1166 R1170 L1171 C1172 | I928-D1168 HydrophobicContact CB-CB 4.44Å; I928-D1168 HydrophobicContact CD1-CB 3.46Å; I928-D1168 WeakPolarHBondContact CD1-OD2 3.38Å; I928-D1168 HydrophobicContact CG2-CB 4.39Å; A1164-D1168 PolarHBondContact O-N 3.14Å; A1164-D1168 VanDerWaalsContact O-N 3.13Å; C1165-D1168 PolarHBondContact O-N 3.26Å; L1166-D1168 VanDerWaalsContact C-N 3.33Å; L1166-D1168 PolarHBondContact O-N 2.88Å; D1168-R1170 PolarHBondContact O-N 3.48Å; D1168-L1171 PolarHBondContact O-N 3.04Å; D1168-C1172 WeakPolarHBondContact O-CB 3.34Å; D1168-C1172 PolarHBondContact O-N 3.07Å; D1168-C1172 PolarHBondContact O-SG 3.15Å |
| 1169 | L | 89.5 | Confident | 86.3 | Confident | 0.2 Ų | 0.2 | 40.3 Ų | 40.3 | 0% | 0.001 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 173.5 | -178.4 | 98 | 0 | 0 | 0 | 111.6 | L1054 A1057 T1058 T1061 L1128 M1129 C1165 L1166 L1171 C1172 F1173 | L1054-L1169 HydrophobicContact CD1-CD1 4.13Å; A1057-L1169 HydrophobicContact CB-CD1 4.03Å; T1058-L1169 HydrophobicContact CG2-CD1 4.09Å; T1058-L1169 HydrophobicContact CG2-CG 4.26Å; T1058-L1169 WeakPolarHBondContact OG1-CD1 3.38Å; T1061-L1169 HydrophobicContact CG2-CD1 3.93Å; T1061-L1169 HydrophobicContact CG2-CD2 4.01Å; T1061-L1169 VanDerWaalsContact OG1-CD1 3.31Å; T1061-L1169 WeakPolarHBondContact OG1-CD1 3.36Å; L1128-L1169 HydrophobicContact CD2-CD1 4.07Å; L1128-L1169 HydrophobicContact CD2-CD2 4.18Å; M1129-L1169 HydrophobicContact CE-CD2 4.14Å; M1129-L1169 HydrophobicContact CG-CD2 3.38Å; M1129-L1169 HydrophobicContact CG-CG 3.94Å; M1129-L1169 HydrophobicContact SD-CD2 3.89Å; M1129-L1169 WeakPolarHBondContact SD-CD2 3.29Å; M1129-L1169 HydrophobicContact SD-CG 4.02Å; C1165-L1169 WeakPolarHBondContact O-CB 3.33Å; C1165-L1169 PolarHBondContact O-N 3.1Å; L1166-L1169 HydrophobicContact CD1-CD2 4.32Å; L1166-L1169 PolarHBondContact O-N 3.06Å; L1169-L1171 VanDerWaalsContact C-N 3.32Å; L1169-L1171 PolarHBondContact O-N 3.4Å; L1169-C1172 WeakPolarHBondContact O-CB 3.37Å; L1169-C1172 PolarHBondContact O-N 3.13Å; L1169-F1173 HydrophobicContact CD2-CB 4.39Å; L1169-F1173 VanDerWaalsContact O-CB 3.23Å; L1169-F1173 WeakPolarHBondContact O-CB 3.35Å; L1169-F1173 PolarHBondContact O-N 3.19Å |
| 1170 | R | 90.3 | Very high | 85.7 | Confident | 84.8 Ų | 84.8 | 40.2 Ų | 40.2 | 32% | 0.32 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 175.6 | -76.7 | -178.7 | -170.4 | 128.6 | -11.3 | 112 | M1129 E1133 L1166 T1167 D1168 F1173 A1174 | M1129-R1170 HydrophobicContact CG-CG 4.41Å; M1129-R1170 HydrophobicContact SD-CB 4.27Å; M1129-R1170 HydrophobicContact SD-CG 3.56Å; M1129-R1170 VanDerWaalsContact SD-CG 3.57Å; M1129-R1170 WeakPolarHBondContact SD-CG 3.39Å; E1133-R1170 VanDerWaalsContact CG-NH2 3.34Å; E1133-R1170 IonicContact OE1-CZ 2.98Å; E1133-R1170 VanDerWaalsContact OE1-CZ 3.27Å; E1133-R1170 IonicContact OE1-NE 3.34Å; E1133-R1170 PolarHBondContact OE1-NE 3.18Å; E1133-R1170 IonicContact OE1-NH2 3.02Å; E1133-R1170 PolarHBondContact OE1-NH2 3.24Å; E1133-R1170 IonicContact OE2-NH2 2.72Å; L1166-R1170 WeakPolarHBondContact O-CB 3.34Å; L1166-R1170 WeakPolarHBondContact O-CG 3.34Å; L1166-R1170 PolarHBondContact O-N 3.41Å; T1167-R1170 PolarHBondContact O-N 3.09Å; D1168-R1170 PolarHBondContact O-N 3.48Å; R1170-F1173 PolarHBondContact O-N 3.19Å; R1170-A1174 WeakPolarHBondContact O-CB 3.36Å; R1170-A1174 PolarHBondContact O-N 3.04Å |
| 1171 | L | 85.5 | Confident | 84.8 | Confident | 86.2 Ų | 86.2 | 35.6 Ų | 35.6 | 45% | 0.451 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.5 | -47.3 | 177.1 | -178.1 | 64 | 0 | 0 | 0 | 111.1 | T1167 D1168 L1169 F1173 N1175 | T1167-L1171 PolarHBondContact O-N 3.04Å; T1167-L1171 VanDerWaalsContact O-N 3.14Å; D1168-L1171 PolarHBondContact O-N 3.04Å; L1169-L1171 VanDerWaalsContact C-N 3.32Å; L1169-L1171 PolarHBondContact O-N 3.4Å; L1171-F1173 VanDerWaalsContact C-N 3.32Å; L1171-F1173 PolarHBondContact O-N 3.34Å; L1171-N1175 WeakPolarHBondContact O-CB 3.48Å; L1171-N1175 VanDerWaalsContact O-CG 3.29Å; L1171-N1175 PolarHBondContact O-N 3.28Å; L1171-N1175 PolarHBondContact O-ND2 3.01Å; L1171-N1175 VanDerWaalsContact O-ND2 3.16Å |
| 1172 | C | 83.7 | Confident | 84.1 | Confident | 3.8 Ų | 3.8 | 40.1 Ų | 40.1 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -42.6 | 174.8 | -91 | 0 | 0 | 0 | 0 | 112.2 | Q932 G1053 L1054 A1057 D1168 L1169 S1176 | Q932-C1172 VanDerWaalsContact NE2-CB 3.32Å; Q932-C1172 PolarHBondContact NE2-SG 3.16Å; G1053-C1172 VanDerWaalsContact C-SG 3.54Å; G1053-C1172 PolarHBondContact O-SG 3.36Å; L1054-C1172 HydrophobicContact CD1-CB 4.39Å; A1057-C1172 HydrophobicContact CB-CB 3.97Å; A1057-C1172 VanDerWaalsContact CB-SG 3.57Å; D1168-C1172 WeakPolarHBondContact O-CB 3.34Å; D1168-C1172 PolarHBondContact O-N 3.07Å; D1168-C1172 PolarHBondContact O-SG 3.15Å; L1169-C1172 WeakPolarHBondContact O-CB 3.37Å; L1169-C1172 PolarHBondContact O-N 3.13Å; C1172-S1176 VanDerWaalsContact O-CB 3.25Å; C1172-S1176 WeakPolarHBondContact O-CB 3.3Å; C1172-S1176 PolarHBondContact O-N 3.12Å; C1172-S1176 PolarHBondContact O-OG 3.29Å |
| 1173 | F | 88.1 | Confident | 83 | Confident | 14.2 Ų | 14.2 | 48.2 Ų | 48.2 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -50.6 | 179.7 | -177.8 | -89.3 | 0 | 0 | 0 | 111.3 | L1054 L1122 S1125 Q1126 M1129 L1169 R1170 L1171 N1175 S1176 E1177 | L1054-F1173 HydrophobicContact CD1-CB 4.32Å; L1054-F1173 HydrophobicContact CD1-CD2 4.36Å; L1122-F1173 HydrophobicContact CB-CE2 4.31Å; L1122-F1173 HydrophobicContact CD2-CD2 3.95Å; L1122-F1173 HydrophobicContact CD2-CE2 3.62Å; L1122-F1173 HydrophobicContact CD2-CZ 4.27Å; L1122-F1173 HydrophobicContact CG-CE2 4.49Å; L1122-F1173 WeakPolarHBondContact O-CE2 3.31Å; S1125-F1173 VanDerWaalsContact OG-CD2 3.32Å; S1125-F1173 WeakPolarHBondContact OG-CD2 3.41Å; S1125-F1173 VanDerWaalsContact OG-CE2 3.27Å; S1125-F1173 WeakPolarHBondContact OG-CE2 3.21Å; Q1126-F1173 HydrophobicContact CB-CE2 3.97Å; Q1126-F1173 HydrophobicContact CB-CZ 3.93Å; Q1126-F1173 HydrophobicContact CG-CZ 4.2Å; M1129-F1173 HydrophobicContact CE-CB 3.85Å; M1129-F1173 HydrophobicContact CE-CD1 3.58Å; M1129-F1173 VanDerWaalsContact CE-CD1 3.49Å; M1129-F1173 HydrophobicContact CE-CD2 3.61Å; M1129-F1173 HydrophobicContact CE-CE1 3.97Å; M1129-F1173 HydrophobicContact CE-CE2 4Å; M1129-F1173 HydrophobicContact CE-CG 3.37Å; M1129-F1173 VanDerWaalsContact CE-CG 3.41Å; M1129-F1173 HydrophobicContact CE-CZ 4.18Å; M1129-F1173 HydrophobicContact SD-CB 4.17Å; M1129-F1173 HydrophobicContact SD-CG 4.33Å; L1169-F1173 HydrophobicContact CD2-CB 4.39Å; L1169-F1173 VanDerWaalsContact O-CB 3.23Å; L1169-F1173 WeakPolarHBondContact O-CB 3.35Å; L1169-F1173 PolarHBondContact O-N 3.19Å; R1170-F1173 PolarHBondContact O-N 3.19Å; L1171-F1173 VanDerWaalsContact C-N 3.32Å; L1171-F1173 PolarHBondContact O-N 3.34Å; F1173-N1175 VanDerWaalsContact C-N 3.29Å; F1173-N1175 PolarHBondContact O-N 3.2Å; F1173-S1176 CarbonylContact O-C 3.56Å; F1173-S1176 WeakPolarHBondContact O-CA 3.35Å; F1173-S1176 PolarHBondContact O-N 3.19Å; F1173-E1177 HydrophobicContact CD1-CB 4.34Å; F1173-E1177 HydrophobicContact CE1-CB 4.05Å; F1173-E1177 VanDerWaalsContact CE1-CD 3.46Å; F1173-E1177 HydrophobicContact CE1-CG 4.19Å; F1173-E1177 WeakPolarHBondContact CE1-OE1 3.32Å; F1173-E1177 VanDerWaalsContact CE1-OE2 3.31Å; F1173-E1177 WeakPolarHBondContact CE1-OE2 3.35Å; F1173-E1177 HydrophobicContact CZ-CB 4.42Å; F1173-E1177 HydrophobicContact CZ-CG 4.4Å; F1173-E1177 VanDerWaalsContact O-CB 3.28Å; F1173-E1177 WeakPolarHBondContact O-CB 3.32Å; F1173-E1177 PolarHBondContact O-N 3Å |
| 1174 | A | 85.1 | Confident | 81.8 | Confident | 48.2 Ų | 48.2 | 46.5 Ų | 46.5 | 40% | 0.398 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | R1170 S1176 T1178 | R1170-A1174 WeakPolarHBondContact O-CB 3.36Å; R1170-A1174 PolarHBondContact O-N 3.04Å; A1174-S1176 VanDerWaalsContact C-N 3.33Å; A1174-S1176 PolarHBondContact O-N 3.4Å; A1174-T1178 WeakPolarHBondContact O-CG2 3.36Å |
| 1175 | N | 80.2 | Confident | 80.6 | Confident | 40.8 Ų | 40.8 | 48.2 Ų | 48.2 | 22% | 0.218 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 176.2 | -65.8 | -23.4 | 0 | 0 | 0 | 112.1 | M937 L940 L1171 F1173 T1178 | M937-N1175 HydrophobicContact CE-CB 4.03Å; M937-N1175 HydrophobicContact SD-CB 4.19Å; M937-N1175 PolarHBondContact SD-ND2 2.96Å; L940-N1175 HydrophobicContact CD1-CB 4.38Å; L1171-N1175 WeakPolarHBondContact O-CB 3.48Å; L1171-N1175 VanDerWaalsContact O-CG 3.29Å; L1171-N1175 PolarHBondContact O-N 3.28Å; L1171-N1175 PolarHBondContact O-ND2 3.01Å; L1171-N1175 VanDerWaalsContact O-ND2 3.16Å; F1173-N1175 VanDerWaalsContact C-N 3.29Å; F1173-N1175 PolarHBondContact O-N 3.2Å; N1175-T1178 PolarHBondContact O-OG1 3.23Å |
| 1176 | S | 83.2 | Confident | 79.2 | Confident | 3.2 Ų | 3.2 | 54.9 Ų | 54.9 | 2% | 0.022 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -79.1 | -36.9 | -177.8 | -58.8 | 0 | 0 | 0 | 0 | 113 | C1172 F1173 A1174 T1178 V1179 L1180 | C1172-S1176 VanDerWaalsContact O-CB 3.25Å; C1172-S1176 WeakPolarHBondContact O-CB 3.3Å; C1172-S1176 PolarHBondContact O-N 3.12Å; C1172-S1176 PolarHBondContact O-OG 3.29Å; F1173-S1176 CarbonylContact O-C 3.56Å; F1173-S1176 WeakPolarHBondContact O-CA 3.35Å; F1173-S1176 PolarHBondContact O-N 3.19Å; A1174-S1176 VanDerWaalsContact C-N 3.33Å; A1174-S1176 PolarHBondContact O-N 3.4Å; S1176-T1178 VanDerWaalsContact C-N 3.32Å; S1176-T1178 PolarHBondContact O-N 2.94Å; S1176-V1179 PolarHBondContact O-N 3.04Å; S1176-V1179 VanDerWaalsContact O-N 3.14Å; S1176-L1180 WeakPolarHBondContact O-CA 3.26Å; S1176-L1180 VanDerWaalsContact O-CB 3.29Å; S1176-L1180 WeakPolarHBondContact O-CB 3.35Å; S1176-L1180 WeakPolarHBondContact O-CG 3.29Å; S1176-L1180 PolarHBondContact O-N 2.98Å |
| 1177 | E | 84.7 | Confident | 77.7 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | -177.6 | -178 | 177.6 | -146 | 0 | 0 | 111.4 | L1122 F1173 V1179 G1181 | L1122-E1177 HydrophobicContact CD2-CB 4.4Å; F1173-E1177 HydrophobicContact CD1-CB 4.34Å; F1173-E1177 HydrophobicContact CE1-CB 4.05Å; F1173-E1177 VanDerWaalsContact CE1-CD 3.46Å; F1173-E1177 HydrophobicContact CE1-CG 4.19Å; F1173-E1177 WeakPolarHBondContact CE1-OE1 3.32Å; F1173-E1177 VanDerWaalsContact CE1-OE2 3.31Å; F1173-E1177 WeakPolarHBondContact CE1-OE2 3.35Å; F1173-E1177 HydrophobicContact CZ-CB 4.42Å; F1173-E1177 HydrophobicContact CZ-CG 4.4Å; F1173-E1177 VanDerWaalsContact O-CB 3.28Å; F1173-E1177 WeakPolarHBondContact O-CB 3.32Å; F1173-E1177 PolarHBondContact O-N 3Å; E1177-V1179 PolarHBondContact O-N 3.28Å; E1177-V1179 VanDerWaalsContact O-N 3.13Å; E1177-G1181 WeakPolarHBondContact O-CA 3.38Å; E1177-G1181 PolarHBondContact O-N 3.2Å |
| 1178 | T | 77.9 | Confident | 76 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.5 | -30 | 178.9 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | A1174 N1175 S1176 N1182 | A1174-T1178 WeakPolarHBondContact O-CG2 3.36Å; N1175-T1178 PolarHBondContact O-OG1 3.23Å; S1176-T1178 VanDerWaalsContact C-N 3.32Å; S1176-T1178 PolarHBondContact O-N 2.94Å; T1178-N1182 PolarHBondContact O-ND2 3.37Å |
| 1179 | V | 76.3 | Confident | 74.5 | Confident | 17.6 Ų | 17.6 | 68.3 Ų | 68.3 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -104.7 | -46.5 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | L940 I1046 R1047 L1050 S1176 E1177 | L940-V1179 HydrophobicContact CD2-CG2 4.24Å; I1046-V1179 HydrophobicContact CG2-CG1 4.06Å; R1047-V1179 HydrophobicContact CG-CG1 4.17Å; R1047-V1179 PolarHBondContact NH1-O 3.21Å; L1050-V1179 HydrophobicContact CD1-CB 3.63Å; L1050-V1179 HydrophobicContact CD1-CG1 3.9Å; L1050-V1179 HydrophobicContact CD1-CG2 3.8Å; S1176-V1179 PolarHBondContact O-N 3.04Å; S1176-V1179 VanDerWaalsContact O-N 3.14Å; E1177-V1179 PolarHBondContact O-N 3.28Å; E1177-V1179 VanDerWaalsContact O-N 3.13Å |
| 1180 | L | 78.4 | Confident | 72.7 | Confident | 3.4 Ų | 3.4 | 71.7 Ų | 71.7 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -77.5 | -30.2 | -174.4 | -63.7 | -175.8 | 0 | 0 | 0 | 112.8 | R1047 L1050 L1054 Q1118 L1122 S1176 N1182 | R1047-L1180 HydrophobicContact CB-CD2 3.78Å; R1047-L1180 HydrophobicContact CG-CD2 3.92Å; R1047-L1180 PolarHBondContact NH2-O 3.11Å; L1050-L1180 HydrophobicContact CB-CD1 4.39Å; L1050-L1180 HydrophobicContact CB-CD2 4.45Å; L1050-L1180 HydrophobicContact CB-CG 4.41Å; L1054-L1180 HydrophobicContact CD2-CD1 4.24Å; Q1118-L1180 HydrophobicContact CB-CD2 4.41Å; Q1118-L1180 HydrophobicContact CG-CD2 4.27Å; L1122-L1180 HydrophobicContact CD1-CB 3.64Å; L1122-L1180 HydrophobicContact CG-CB 4.26Å; L1122-L1180 HydrophobicContact CG-CD1 4.5Å; S1176-L1180 WeakPolarHBondContact O-CA 3.26Å; S1176-L1180 VanDerWaalsContact O-CB 3.29Å; S1176-L1180 WeakPolarHBondContact O-CB 3.35Å; S1176-L1180 WeakPolarHBondContact O-CG 3.29Å; S1176-L1180 PolarHBondContact O-N 2.98Å; L1180-N1182 VanDerWaalsContact C-N 3.29Å; L1180-N1182 PolarHBondContact O-N 3.14Å |
| 1181 | G | 71.4 | Confident | 71 | Confident | 51.6 Ų | 51.6 | 71.2 Ų | 71.2 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -72.6 | -21.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1177 | E1177-G1181 WeakPolarHBondContact O-CA 3.38Å; E1177-G1181 PolarHBondContact O-N 3.2Å |
| 1182 | N | 71.7 | Confident | 69.2 | Low | 105.2 Ų | 105.2 | 72.9 Ų | 72.9 | 56% | 0.563 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -90.5 | 145.3 | 176.1 | -67 | -48.3 | 0 | 0 | 0 | 111 | R1047 T1178 L1180 | R1047-N1182 PolarHBondContact NH1-O 3.02Å; T1178-N1182 PolarHBondContact O-ND2 3.37Å; L1180-N1182 VanDerWaalsContact C-N 3.29Å; L1180-N1182 PolarHBondContact O-N 3.14Å |
| 1183 | E | 67.9 | Low | 66.9 | Low | 171.4 Ų | 171.4 | 76.1 Ų | 76.1 | 80% | 0.801 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 141.5 | 172.2 | -161.6 | 169.4 | -171.5 | 0 | 0 | 109.7 | ||
| 1184 | P | 64.6 | Low | 64.3 | Low | 54 Ų | 54 | 84.6 Ų | 84.6 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 132.7 | 179.2 | 21 | -34.1 | 0 | 0 | 0 | 111.3 | V1115 D1186 | V1115-P1184 HydrophobicContact CG2-CG 4.16Å; P1184-D1186 PolarHBondContact O-N 3.4Å |
| 1185 | P | 62.3 | Low | 61.7 | Low | 65.6 Ų | 65.6 | 91.9 Ų | 91.9 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 138.6 | -178.1 | -2.2 | 4.7 | 0 | 0 | 0 | 112.5 | A1040 L1187 | A1040-P1185 HydrophobicContact CB-CB 4.08Å; A1040-P1185 HydrophobicContact CB-CG 4.13Å; P1185-L1187 PolarHBondContact O-N 3.28Å; P1185-L1187 VanDerWaalsContact O-N 3.13Å |
| 1186 | D | 59 | Low | 59.2 | Low | 140.2 Ų | 140.2 | 96.5 Ų | 96.5 | 75% | 0.75 | 51% | 0.512 | S | S | * | . | trans | -66 | 109.4 | -178.2 | -93.9 | -29.1 | 0 | 0 | 0 | 112.5 | P1184 Y1188 | P1184-D1186 PolarHBondContact O-N 3.4Å; D1186-Y1188 VanDerWaalsContact C-N 3.33Å; D1186-Y1188 PolarHBondContact O-N 3.17Å | ||
| 1187 | L | 58.4 | Low | 56.6 | Low | 25.6 Ų | 25.6 | 101.3 Ų | 101.3 | 13% | 0.134 | 55% | 0.546 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -17.8 | -179.2 | -100.5 | 146.8 | 0 | 0 | 0 | 114.5 | R995 A1040 T1041 P1185 H1189 L1190 M1191 | R995-L1187 HydrophobicContact CG-CD2 4.24Å; A1040-L1187 WeakPolarHBondContact O-CD1 3.49Å; T1041-L1187 HydrophobicContact CG2-CD2 4.18Å; P1185-L1187 PolarHBondContact O-N 3.28Å; P1185-L1187 VanDerWaalsContact O-N 3.13Å; L1187-H1189 PolarHBondContact O-N 3.3Å; L1187-H1189 VanDerWaalsContact O-N 3.12Å; L1187-L1190 PolarHBondContact O-N 3.18Å; L1187-L1190 VanDerWaalsContact O-N 3.12Å; L1187-M1191 HydrophobicContact CD2-CG 4.13Å; L1187-M1191 HydrophobicContact CD2-SD 4.23Å; L1187-M1191 PolarHBondContact O-N 3.15Å |
| 1188 | Y | 54.1 | Low | 54 | Low | 189.8 Ų | 189.8 | 106 Ų | 106 | 74% | 0.744 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.5 | -31.5 | -174.2 | -88 | -81.2 | 0 | 0 | 0 | 113.3 | D1186 | D1186-Y1188 VanDerWaalsContact C-N 3.33Å; D1186-Y1188 PolarHBondContact O-N 3.17Å |
| 1189 | H | 52.7 | Low | 51.6 | Low | 171.4 Ų | 171.4 | 108.1 Ų | 108.1 | 79% | 0.794 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -80.3 | -25.2 | -179.5 | -113.6 | -64.5 | 0 | 0 | 0 | 113.9 | L1187 | L1187-H1189 PolarHBondContact O-N 3.3Å; L1187-H1189 VanDerWaalsContact O-N 3.12Å |
| 1190 | L | 52.1 | Low | 49.3 | Very low | 70.4 Ų | 70.4 | 115.4 Ų | 115.4 | 37% | 0.369 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -87.6 | -36.1 | -175.8 | -131.7 | 107.9 | 0 | 0 | 0 | 112.7 | V998 T1037 A1040 T1041 L1187 | V998-L1190 HydrophobicContact CG1-CD2 3.77Å; V998-L1190 HydrophobicContact CG1-CG 4.25Å; T1037-L1190 HydrophobicContact CG2-CD1 3.87Å; T1037-L1190 HydrophobicContact CG2-CD2 3.91Å; T1037-L1190 HydrophobicContact CG2-CG 4.44Å; A1040-L1190 HydrophobicContact CB-CD1 3.66Å; T1041-L1190 HydrophobicContact CG2-CD2 3.71Å; L1187-L1190 PolarHBondContact O-N 3.18Å; L1187-L1190 VanDerWaalsContact O-N 3.12Å |
| 1191 | M | 53.6 | Low | 46.9 | Very low | 75 Ų | 75 | 118.5 Ų | 118.5 | 37% | 0.369 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -75.9 | -27.3 | 179.9 | -75.8 | -166.7 | -29.4 | 0 | 0 | 113.7 | E991 K994 L1187 G1193 | E991-M1191 HydrophobicContact CG-CE 4.31Å; E991-M1191 HydrophobicContact CG-SD 4.41Å; E991-M1191 WeakPolarHBondContact OE1-CE 3.38Å; E991-M1191 WeakPolarHBondContact OE2-CE 3.21Å; K994-M1191 HydrophobicContact CB-CE 4.2Å; K994-M1191 HydrophobicContact CD-CE 3.99Å; L1187-M1191 HydrophobicContact CD2-CG 4.13Å; L1187-M1191 HydrophobicContact CD2-SD 4.23Å; L1187-M1191 PolarHBondContact O-N 3.15Å; M1191-G1193 VanDerWaalsContact C-N 3.34Å; M1191-G1193 PolarHBondContact O-N 3.12Å |
| 1192 | N | 46.9 | Very low | 44.9 | Very low | 121.8 Ų | 121.8 | 123.8 Ų | 123.8 | 65% | 0.651 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -105.9 | 52.5 | -176.1 | -75 | -22.3 | 0 | 0 | 0 | 112.5 | K1194 | N1192-K1194 VanDerWaalsContact C-N 3.26Å; N1192-K1194 PolarHBondContact O-N 3.03Å |
| 1193 | G | 36.9 | Very low | 43.1 | Very low | 70.4 Ų | 70.4 | 124.7 Ų | 124.7 | 73% | 0.726 | 68% | 0.681 | S | S | * | * | trans | -70.2 | 71.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | M1191 | M1191-G1193 VanDerWaalsContact C-N 3.34Å; M1191-G1193 PolarHBondContact O-N 3.12Å | ||
| 1194 | K | 32.8 | Very low | 41.5 | Very low | 192.2 Ų | 192.2 | 124.8 Ų | 124.8 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | trans | -125.4 | 80.9 | 162 | -107.3 | 178.6 | -177.4 | 176.6 | 0 | 111.5 | N1192 T1196 | N1192-K1194 VanDerWaalsContact C-N 3.26Å; N1192-K1194 PolarHBondContact O-N 3.03Å; K1194-T1196 VanDerWaalsContact C-N 3.32Å; K1194-T1196 PolarHBondContact O-N 3.22Å | ||
| 1195 | K | 29.9 | Very low | 40.3 | Very low | 201.8 Ų | 201.8 | 126.3 Ų | 126.3 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | trans | -84.6 | 96.8 | 161.6 | -72.5 | -177 | 177.7 | 179.7 | 0 | 108.3 | S1197 | K1195-S1197 PolarHBondContact O-N 3.2Š| ||
| 1196 | T | 28.4 | Very low | 39.2 | Very low | 137.2 Ų | 137.2 | 129.4 Ų | 129.4 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | trans | -97.8 | 74.9 | 168.4 | 40.9 | 0 | 0 | 0 | 0 | 109 | K1194 Q1198 | K1194-T1196 VanDerWaalsContact C-N 3.32Å; K1194-T1196 PolarHBondContact O-N 3.22Å; T1196-Q1198 PolarHBondContact O-N 3.09Å; T1196-Q1198 VanDerWaalsContact O-N 3.1Å | ||
| 1197 | S | 29.5 | Very low | 38.5 | Very low | 104.4 Ų | 104.4 | 132.3 Ų | 132.3 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | trans | -80 | 116.5 | 158.7 | 36.9 | 0 | 0 | 0 | 0 | 108.7 | K1195 S1199 | K1195-S1197 PolarHBondContact O-N 3.2Å; S1197-S1199 PolarHBondContact O-N 3.1Å | ||
| 1198 | Q | 28.8 | Very low | 37.9 | Very low | 188.8 Ų | 188.8 | 138.2 Ų | 138.2 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | trans | 40.9 | 93.1 | 152.2 | -67.1 | 173.6 | -12.9 | 0 | 0 | 116.3 | T1196 | T1196-Q1198 PolarHBondContact O-N 3.09Å; T1196-Q1198 VanDerWaalsContact O-N 3.1Å | ||
| 1199 | S | 28.2 | Very low | 37.4 | Very low | 112.6 Ų | 112.6 | 132.2 Ų | 132.2 | 79% | 0.787 | 72% | 0.715 | S | S | * | * | trans | -148.8 | 119.8 | 139.4 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | S1197 G1201 | S1197-S1199 PolarHBondContact O-N 3.1Å; S1199-G1201 PolarHBondContact O-N 3.29Å | ||
| 1200 | D | 27.2 | Very low | 37.4 | Very low | 169.8 Ų | 169.8 | 125.8 Ų | 125.8 | 91% | 0.908 | 70% | 0.695 | S | S | * | * | trans | -29.3 | 129.1 | 165.2 | -75.8 | -37.4 | 0 | 0 | 0 | 114.4 | ||||
| 1201 | G | 28 | Very low | 37.4 | Very low | 70.2 Ų | 70.2 | 127.3 Ų | 127.3 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | trans | 128 | 99.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1199 | S1199-G1201 PolarHBondContact O-N 3.29Š| ||
| 1202 | L | 29.9 | Very low | 37.4 | Very low | 161.8 Ų | 161.8 | 128 Ų | 128 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | trans | 135.8 | 115 | 143 | -65.3 | 170.6 | 0 | 0 | 0 | 113.8 | E1204 | L1202-E1204 PolarHBondContact O-N 3.35Å; L1202-E1204 VanDerWaalsContact O-N 3.11Å | ||
| 1203 | T | 34.2 | Very low | 37.9 | Very low | 124.4 Ų | 124.4 | 124.4 Ų | 124.4 | 76% | 0.763 | 69% | 0.687 | S | S | * | * | trans | 11.6 | 95.4 | 157.2 | 51.3 | 0 | 0 | 0 | 0 | 116.4 | S1205 | T1203-S1205 PolarHBondContact O-N 3.44Š| ||
| 1204 | E | 33.5 | Very low | 39.1 | Very low | 174.2 Ų | 174.2 | 123.4 Ų | 123.4 | 81% | 0.814 | 67% | 0.671 | S | S | * | * | trans | -112.1 | 17.1 | 164.5 | -116 | 176.2 | -174.2 | 0 | 0 | 113 | L1202 D1206 | L1202-E1204 PolarHBondContact O-N 3.35Å; L1202-E1204 VanDerWaalsContact O-N 3.11Å; E1204-D1206 PolarHBondContact O-N 3.25Å | ||
| 1205 | S | 39.1 | Very low | 40.8 | Very low | 84 Ų | 84 | 119.2 Ų | 119.2 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | trans | -82.7 | -10.6 | -174.4 | 54.6 | 0 | 0 | 0 | 0 | 115.6 | T1203 I1209 | T1203-S1205 PolarHBondContact O-N 3.44Å; S1205-I1209 WeakPolarHBondContact O-CD1 3.27Å; S1205-I1209 WeakPolarHBondContact O-CG1 3.45Å | ||
| 1206 | D | 40.6 | Very low | 42.6 | Very low | 131.8 Ų | 131.8 | 111.2 Ų | 111.2 | 71% | 0.705 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -89.4 | -18.6 | -174.4 | -81.4 | -7.8 | 0 | 0 | 0 | 113.9 | E1204 | E1204-D1206 PolarHBondContact O-N 3.25Š|
| 1207 | Y | 42.8 | Very low | 44.5 | Very low | 201.2 Ų | 201.2 | 108.7 Ų | 108.7 | 79% | 0.789 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.3 | -23.5 | -177.1 | -82.9 | -80.1 | 0 | 0 | 0 | 114.3 | I1209 | Y1207-I1209 VanDerWaalsContact C-N 3.34Å; Y1207-I1209 PolarHBondContact O-N 3.15Å |
| 1208 | H | 45.7 | Very low | 46.8 | Very low | 149.2 Ų | 149.2 | 107.8 Ų | 107.8 | 69% | 0.691 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -89.2 | -11.2 | -175.9 | -102.8 | -33.8 | 0 | 0 | 0 | 115.3 | ||
| 1209 | I | 44.6 | Very low | 49 | Very low | 64 Ų | 64 | 104.2 Ų | 104.2 | 33% | 0.328 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -74.9 | -46.7 | 177.2 | -63 | 175.8 | 0 | 0 | 0 | 109.5 | S1205 Y1207 D1211 M1212 E1213 K1304 | S1205-I1209 WeakPolarHBondContact O-CD1 3.27Å; S1205-I1209 WeakPolarHBondContact O-CG1 3.45Å; Y1207-I1209 VanDerWaalsContact C-N 3.34Å; Y1207-I1209 PolarHBondContact O-N 3.15Å; I1209-D1211 VanDerWaalsContact C-N 3.33Å; I1209-D1211 PolarHBondContact O-N 3.07Å; I1209-M1212 PolarHBondContact O-N 3.18Å; I1209-M1212 VanDerWaalsContact O-N 3.16Å; I1209-E1213 HydrophobicContact CG2-CG 4.21Å; I1209-E1213 VanDerWaalsContact CG2-OE1 3.31Å; I1209-E1213 WeakPolarHBondContact CG2-OE1 3.32Å; I1209-E1213 WeakPolarHBondContact O-CB 3.43Å; I1209-E1213 VanDerWaalsContact O-CG 3.25Å; I1209-E1213 WeakPolarHBondContact O-CG 3.27Å; I1209-E1213 PolarHBondContact O-N 3.22Å; I1209-E1213 VanDerWaalsContact O-N 3.13Å; I1209-K1304 VanDerWaalsContact CG1-CE 3.5Å |
| 1210 | G | 51.9 | Low | 51.2 | Low | 36.2 Ų | 36.2 | 99.2 Ų | 99.2 | 37% | 0.373 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.1 | -35.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1213 A1214 | G1210-E1213 PolarHBondContact O-N 3.22Å; G1210-A1214 VanDerWaalsContact O-CB 3.28Å; G1210-A1214 WeakPolarHBondContact O-CB 3.39Å; G1210-A1214 PolarHBondContact O-N 3.22Å |
| 1211 | D | 53.6 | Low | 53.6 | Low | 102.4 Ų | 102.4 | 94.3 Ų | 94.3 | 55% | 0.548 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | -179.6 | -72.6 | -18.9 | 0 | 0 | 0 | 112.9 | I1209 N1215 | I1209-D1211 VanDerWaalsContact C-N 3.33Å; I1209-D1211 PolarHBondContact O-N 3.07Å; D1211-N1215 WeakPolarHBondContact O-CB 3.38Å; D1211-N1215 PolarHBondContact O-N 3.17Å; D1211-N1215 VanDerWaalsContact O-N 3.11Å; D1211-N1215 PolarHBondContact O-ND2 3.27Å |
| 1212 | M | 53.5 | Low | 56.1 | Low | 88.8 Ų | 88.8 | 93.2 Ų | 93.2 | 44% | 0.437 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.5 | -40.3 | 175.9 | -173.4 | 172 | 172.1 | 0 | 0 | 110.8 | I1209 N1215 E1216 | I1209-M1212 PolarHBondContact O-N 3.18Å; I1209-M1212 VanDerWaalsContact O-N 3.16Å; M1212-N1215 PolarHBondContact O-N 3.12Å; M1212-E1216 PolarHBondContact O-N 3.21Å; M1212-E1216 VanDerWaalsContact O-N 3.15Å |
| 1213 | E | 56.2 | Low | 58.4 | Low | 47.8 Ų | 47.8 | 87 Ų | 87 | 22% | 0.223 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 174.3 | -64.5 | -177.4 | 167.9 | 0 | 0 | 111.5 | I1209 G1210 N1215 E1216 L1217 M1307 N1422 | I1209-E1213 HydrophobicContact CG2-CG 4.21Å; I1209-E1213 VanDerWaalsContact CG2-OE1 3.31Å; I1209-E1213 WeakPolarHBondContact CG2-OE1 3.32Å; I1209-E1213 WeakPolarHBondContact O-CB 3.43Å; I1209-E1213 VanDerWaalsContact O-CG 3.25Å; I1209-E1213 WeakPolarHBondContact O-CG 3.27Å; I1209-E1213 PolarHBondContact O-N 3.22Å; I1209-E1213 VanDerWaalsContact O-N 3.13Å; G1210-E1213 PolarHBondContact O-N 3.22Å; E1213-N1215 PolarHBondContact O-N 3.03Å; E1213-E1216 PolarHBondContact O-N 3.12Å; E1213-L1217 WeakPolarHBondContact O-CB 3.41Å; E1213-L1217 WeakPolarHBondContact O-CG 3.32Å; E1213-L1217 PolarHBondContact O-N 3.33Å; E1213-M1307 HydrophobicContact CB-CE 3.86Å; E1213-M1307 HydrophobicContact CG-CE 3.67Å; E1213-M1307 HydrophobicContact CG-SD 3.64Å; E1213-M1307 VanDerWaalsContact CG-SD 3.58Å; E1213-N1422 PolarHBondContact OE1-ND2 3.22Å |
| 1214 | A | 62.5 | Low | 60.6 | Low | 49 Ų | 49 | 82.7 Ų | 82.7 | 41% | 0.405 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1210 L1217 V1218 | G1210-A1214 VanDerWaalsContact O-CB 3.28Å; G1210-A1214 WeakPolarHBondContact O-CB 3.39Å; G1210-A1214 PolarHBondContact O-N 3.22Å; A1214-L1217 PolarHBondContact O-N 3.41Å; A1214-V1218 VanDerWaalsContact O-CB 3.32Å; A1214-V1218 WeakPolarHBondContact O-CB 3.23Å; A1214-V1218 WeakPolarHBondContact O-CG2 3.38Å; A1214-V1218 PolarHBondContact O-N 3.04Å |
| 1215 | N | 68.2 | Low | 62.9 | Low | 102.8 Ų | 102.8 | 79.2 Ų | 79.2 | 55% | 0.55 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 179.8 | -93.8 | -24.9 | 0 | 0 | 0 | 112.8 | D1211 M1212 E1213 V1218 K1219 | D1211-N1215 WeakPolarHBondContact O-CB 3.38Å; D1211-N1215 PolarHBondContact O-N 3.17Å; D1211-N1215 VanDerWaalsContact O-N 3.11Å; D1211-N1215 PolarHBondContact O-ND2 3.27Å; M1212-N1215 PolarHBondContact O-N 3.12Å; E1213-N1215 PolarHBondContact O-N 3.03Å; N1215-V1218 PolarHBondContact O-N 3.05Å; N1215-K1219 WeakPolarHBondContact O-CG 3.29Å; N1215-K1219 PolarHBondContact O-N 3.14Å |
| 1216 | E | 67.6 | Low | 64.9 | Low | 33.8 Ų | 33.8 | 81.8 Ų | 81.8 | 16% | 0.158 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -71 | -37.3 | 177.3 | -69 | -57.6 | 137.7 | 0 | 0 | 112.3 | M1212 E1213 V1218 K1219 I1220 L1311 Q1315 | M1212-E1216 PolarHBondContact O-N 3.21Å; M1212-E1216 VanDerWaalsContact O-N 3.15Å; E1213-E1216 PolarHBondContact O-N 3.12Å; E1216-V1218 VanDerWaalsContact C-N 3.32Å; E1216-V1218 PolarHBondContact O-N 3.12Å; E1216-K1219 WeakPolarHBondContact O-CB 3.4Å; E1216-K1219 PolarHBondContact O-N 3.24Å; E1216-K1219 VanDerWaalsContact O-N 3.15Å; E1216-K1219 WeakPolarHBondContact OE1-CD 3.47Å; E1216-K1219 WeakPolarHBondContact OE1-CE 3.32Å; E1216-K1219 IonicContact OE1-NZ 3.16Å; E1216-K1219 PolarHBondContact OE1-NZ 3.18Å; E1216-K1219 VanDerWaalsContact OE2-CD 3.32Å; E1216-K1219 WeakPolarHBondContact OE2-CD 3.29Å; E1216-K1219 IonicContact OE2-NZ 3.39Å; E1216-I1220 WeakPolarHBondContact O-CB 3.45Å; E1216-I1220 WeakPolarHBondContact O-CG1 3.42Å; E1216-I1220 PolarHBondContact O-N 3.32Å; E1216-L1311 HydrophobicContact CB-CD1 4.11Å; E1216-L1311 HydrophobicContact CB-CD2 4.07Å; E1216-L1311 HydrophobicContact CG-CD1 4.21Å; E1216-L1311 HydrophobicContact CG-CD2 3.8Å; E1216-Q1315 PolarHBondContact OE2-NE2 2.95Å; E1216-Q1315 VanDerWaalsContact OE2-NE2 3.09Å |
| 1217 | L | 69.5 | Low | 66.7 | Low | 85.8 Ų | 85.8 | 76.4 Ų | 76.4 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 173.3 | -153.5 | 107.4 | 0 | 0 | 0 | 111.3 | E1213 A1214 K1219 I1220 S1221 L1419 | E1213-L1217 WeakPolarHBondContact O-CB 3.41Å; E1213-L1217 WeakPolarHBondContact O-CG 3.32Å; E1213-L1217 PolarHBondContact O-N 3.33Å; A1214-L1217 PolarHBondContact O-N 3.41Å; L1217-K1219 VanDerWaalsContact C-N 3.35Å; L1217-I1220 PolarHBondContact O-N 3.14Å; L1217-S1221 VanDerWaalsContact O-CB 3.26Å; L1217-S1221 WeakPolarHBondContact O-CB 3.34Å; L1217-S1221 PolarHBondContact O-N 3.23Å; L1217-L1419 HydrophobicContact CD1-CD1 3.47Å; L1217-L1419 VanDerWaalsContact CD1-CD1 3.41Å; L1217-L1419 HydrophobicContact CD2-CD1 3.41Å; L1217-L1419 VanDerWaalsContact CD2-CD1 3.41Å; L1217-L1419 HydrophobicContact CD2-CD2 4.19Å; L1217-L1419 HydrophobicContact CD2-CG 4.26Å |
| 1218 | V | 76.2 | Confident | 68.6 | Low | 84.8 Ų | 84.8 | 72.5 Ų | 72.5 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 172.3 | 168.6 | 0 | 0 | 0 | 0 | 111 | A1214 N1215 E1216 S1221 T1222 | A1214-V1218 VanDerWaalsContact O-CB 3.32Å; A1214-V1218 WeakPolarHBondContact O-CB 3.23Å; A1214-V1218 WeakPolarHBondContact O-CG2 3.38Å; A1214-V1218 PolarHBondContact O-N 3.04Å; N1215-V1218 PolarHBondContact O-N 3.05Å; E1216-V1218 VanDerWaalsContact C-N 3.32Å; E1216-V1218 PolarHBondContact O-N 3.12Å; V1218-S1221 PolarHBondContact O-N 3.32Å; V1218-T1222 HydrophobicContact CG1-CG2 4.21Å; V1218-T1222 VanDerWaalsContact O-CB 3.3Å; V1218-T1222 WeakPolarHBondContact O-CB 3.33Å; V1218-T1222 VanDerWaalsContact O-CG2 3.31Å; V1218-T1222 WeakPolarHBondContact O-CG2 3.36Å; V1218-T1222 PolarHBondContact O-N 3.02Å; V1218-T1222 PolarHBondContact O-OG1 3.16Å |
| 1219 | K | 75.8 | Confident | 70.3 | Confident | 113.8 Ų | 113.8 | 68.9 Ų | 68.9 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 173.9 | -72.8 | 171.9 | -172.4 | 175 | 0 | 112 | N1215 E1216 L1217 T1222 A1223 | N1215-K1219 WeakPolarHBondContact O-CG 3.29Å; N1215-K1219 PolarHBondContact O-N 3.14Å; E1216-K1219 WeakPolarHBondContact O-CB 3.4Å; E1216-K1219 PolarHBondContact O-N 3.24Å; E1216-K1219 VanDerWaalsContact O-N 3.15Å; E1216-K1219 WeakPolarHBondContact OE1-CD 3.47Å; E1216-K1219 WeakPolarHBondContact OE1-CE 3.32Å; E1216-K1219 IonicContact OE1-NZ 3.16Å; E1216-K1219 PolarHBondContact OE1-NZ 3.18Å; E1216-K1219 VanDerWaalsContact OE2-CD 3.32Å; E1216-K1219 WeakPolarHBondContact OE2-CD 3.29Å; E1216-K1219 IonicContact OE2-NZ 3.39Å; L1217-K1219 VanDerWaalsContact C-N 3.35Å; K1219-T1222 WeakPolarHBondContact CA-OG1 3.3Å; K1219-T1222 PolarHBondContact O-N 3.34Å; K1219-T1222 PolarHBondContact O-OG1 3.33Å; K1219-A1223 WeakPolarHBondContact O-CB 3.39Å; K1219-A1223 PolarHBondContact O-N 3.14Å |
| 1220 | I | 74.1 | Confident | 71.8 | Confident | 6.4 Ų | 6.4 | 68.2 Ų | 68.2 | 3% | 0.033 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.7 | -47.9 | 177.5 | -72.7 | 164.9 | 0 | 0 | 0 | 111 | E1216 L1217 T1222 A1223 I1224 L1311 V1314 L1318 I1415 L1419 | E1216-I1220 WeakPolarHBondContact O-CB 3.45Å; E1216-I1220 WeakPolarHBondContact O-CG1 3.42Å; E1216-I1220 PolarHBondContact O-N 3.32Å; L1217-I1220 PolarHBondContact O-N 3.14Å; I1220-T1222 VanDerWaalsContact C-N 3.32Å; I1220-T1222 PolarHBondContact O-N 2.99Å; I1220-A1223 WeakPolarHBondContact O-CA 3.2Å; I1220-A1223 WeakPolarHBondContact O-CB 3.46Å; I1220-A1223 PolarHBondContact O-N 3.03Å; I1220-A1223 VanDerWaalsContact O-N 3.09Å; I1220-I1224 HydrophobicContact CG2-CD1 4.09Å; I1220-I1224 WeakPolarHBondContact O-CG1 3.32Å; I1220-I1224 PolarHBondContact O-N 3.26Å; I1220-L1311 HydrophobicContact CD1-CD1 3.39Å; I1220-L1311 VanDerWaalsContact CD1-CD1 3.48Å; I1220-L1311 HydrophobicContact CD1-CD2 3.46Å; I1220-L1311 VanDerWaalsContact CD1-CD2 3.41Å; I1220-L1311 HydrophobicContact CD1-CG 4.4Å; I1220-V1314 HydrophobicContact CD1-CG1 3.82Å; I1220-V1314 HydrophobicContact CG1-CG1 4.32Å; I1220-V1314 HydrophobicContact CG2-CG1 4.29Å; I1220-L1318 HydrophobicContact CG1-CD1 4.35Å; I1220-L1318 HydrophobicContact CG2-CD1 4.07Å; I1220-I1415 HydrophobicContact CG2-CD1 4.25Å; I1220-I1415 HydrophobicContact CG2-CG2 3.8Å; I1220-L1419 HydrophobicContact CD1-CD1 4.44Å |
| 1221 | S | 78 | Confident | 73 | Confident | 68.2 Ų | 68.2 | 66.8 Ų | 66.8 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.5 | -174 | 0 | 0 | 0 | 0 | 111.4 | L1217 V1218 A1223 I1224 E1225 | L1217-S1221 VanDerWaalsContact O-CB 3.26Å; L1217-S1221 WeakPolarHBondContact O-CB 3.34Å; L1217-S1221 PolarHBondContact O-N 3.23Å; V1218-S1221 PolarHBondContact O-N 3.32Å; S1221-A1223 VanDerWaalsContact C-N 3.31Å; S1221-A1223 PolarHBondContact O-N 3.21Å; S1221-I1224 PolarHBondContact O-N 3.24Å; S1221-E1225 WeakPolarHBondContact O-CB 3.44Å; S1221-E1225 WeakPolarHBondContact O-CG 3.17Å; S1221-E1225 PolarHBondContact O-N 3.3Å |
| 1222 | T | 80.5 | Confident | 74.2 | Confident | 47.8 Ų | 47.8 | 65.6 Ų | 65.6 | 29% | 0.293 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.3 | -27.5 | 175.1 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | V1218 K1219 I1220 R1226 | V1218-T1222 HydrophobicContact CG1-CG2 4.21Å; V1218-T1222 VanDerWaalsContact O-CB 3.3Å; V1218-T1222 WeakPolarHBondContact O-CB 3.33Å; V1218-T1222 VanDerWaalsContact O-CG2 3.31Å; V1218-T1222 WeakPolarHBondContact O-CG2 3.36Å; V1218-T1222 PolarHBondContact O-N 3.02Å; V1218-T1222 PolarHBondContact O-OG1 3.16Å; K1219-T1222 WeakPolarHBondContact CA-OG1 3.3Å; K1219-T1222 PolarHBondContact O-N 3.34Å; K1219-T1222 PolarHBondContact O-OG1 3.33Å; I1220-T1222 VanDerWaalsContact C-N 3.32Å; I1220-T1222 PolarHBondContact O-N 2.99Å; T1222-R1226 VanDerWaalsContact C-NH1 3.29Å; T1222-R1226 VanDerWaalsContact CB-NH1 3.26Å; T1222-R1226 VanDerWaalsContact O-CB 3.29Å; T1222-R1226 WeakPolarHBondContact O-CB 3.29Å; T1222-R1226 WeakPolarHBondContact O-CG 3.39Å; T1222-R1226 PolarHBondContact O-N 3.06Å; T1222-R1226 PolarHBondContact O-NH1 3Å; T1222-R1226 PolarHBondContact OG1-NH1 3.06Å; T1222-R1226 VanDerWaalsContact OG1-NH1 3.12Å; T1222-R1226 PolarHBondContact OG1-NH2 3.31Å |
| 1223 | A | 78.6 | Confident | 75.1 | Confident | 30.8 Ų | 30.8 | 64.3 Ų | 64.3 | 26% | 0.255 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.5 | -44.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1219 I1220 S1221 R1226 L1227 L1318 | K1219-A1223 WeakPolarHBondContact O-CB 3.39Å; K1219-A1223 PolarHBondContact O-N 3.14Å; I1220-A1223 WeakPolarHBondContact O-CA 3.2Å; I1220-A1223 WeakPolarHBondContact O-CB 3.46Å; I1220-A1223 PolarHBondContact O-N 3.03Å; I1220-A1223 VanDerWaalsContact O-N 3.09Å; S1221-A1223 VanDerWaalsContact C-N 3.31Å; S1221-A1223 PolarHBondContact O-N 3.21Å; A1223-R1226 WeakPolarHBondContact O-CB 3.29Å; A1223-R1226 PolarHBondContact O-N 3.2Å; A1223-L1227 WeakPolarHBondContact O-CG 3.34Å; A1223-L1227 PolarHBondContact O-N 3.2Å; A1223-L1318 HydrophobicContact CB-CD1 4.48Å |
| 1224 | I | 79.2 | Confident | 75.4 | Confident | 34.4 Ų | 34.4 | 67.3 Ų | 67.3 | 18% | 0.176 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.7 | -63.6 | 168.2 | 0 | 0 | 0 | 110.4 | I1220 S1221 R1226 L1227 R1228 L1318 L1408 I1415 | I1220-I1224 HydrophobicContact CG2-CD1 4.09Å; I1220-I1224 WeakPolarHBondContact O-CG1 3.32Å; I1220-I1224 PolarHBondContact O-N 3.26Å; S1221-I1224 PolarHBondContact O-N 3.24Å; I1224-R1226 VanDerWaalsContact C-N 3.34Å; I1224-R1226 PolarHBondContact O-N 2.99Å; I1224-L1227 PolarHBondContact O-N 3.28Å; I1224-R1228 WeakPolarHBondContact O-CB 3.28Å; I1224-R1228 PolarHBondContact O-N 3.25Å; I1224-L1318 HydrophobicContact CG1-CD2 3.94Å; I1224-L1408 HydrophobicContact CG2-CD2 4.43Å; I1224-I1415 HydrophobicContact CD1-CD1 3.66Å; I1224-I1415 HydrophobicContact CG1-CD1 4.36Å |
| 1225 | E | 82.2 | Confident | 75.4 | Confident | 99.4 Ų | 99.4 | 67.9 Ų | 67.9 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 178.2 | -151.1 | 73.2 | -159.2 | 0 | 0 | 111.6 | S1221 R1228 T1229 | S1221-E1225 WeakPolarHBondContact O-CB 3.44Å; S1221-E1225 WeakPolarHBondContact O-CG 3.17Å; S1221-E1225 PolarHBondContact O-N 3.3Å; E1225-R1228 WeakPolarHBondContact O-CB 3.19Å; E1225-R1228 PolarHBondContact O-N 3.13Å; E1225-T1229 HydrophobicContact CG-CG2 4.5Å; E1225-T1229 WeakPolarHBondContact O-CB 3.42Å; E1225-T1229 VanDerWaalsContact O-CG2 3.3Å; E1225-T1229 WeakPolarHBondContact O-CG2 3.36Å; E1225-T1229 PolarHBondContact O-N 3.2Å; E1225-T1229 PolarHBondContact O-OG1 3.04Å; E1225-T1229 VanDerWaalsContact O-OG1 3.13Å |
| 1226 | R | 81.6 | Confident | 75.1 | Confident | 139.6 Ų | 139.6 | 66.3 Ų | 66.3 | 53% | 0.527 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 170.2 | -79.7 | 178.9 | -158.4 | 99.2 | -1 | 111.6 | T1222 A1223 I1224 R1228 T1229 E1230 | T1222-R1226 VanDerWaalsContact C-NH1 3.29Å; T1222-R1226 VanDerWaalsContact CB-NH1 3.26Å; T1222-R1226 VanDerWaalsContact O-CB 3.29Å; T1222-R1226 WeakPolarHBondContact O-CB 3.29Å; T1222-R1226 WeakPolarHBondContact O-CG 3.39Å; T1222-R1226 PolarHBondContact O-N 3.06Å; T1222-R1226 PolarHBondContact O-NH1 3Å; T1222-R1226 PolarHBondContact OG1-NH1 3.06Å; T1222-R1226 VanDerWaalsContact OG1-NH1 3.12Å; T1222-R1226 PolarHBondContact OG1-NH2 3.31Å; A1223-R1226 WeakPolarHBondContact O-CB 3.29Å; A1223-R1226 PolarHBondContact O-N 3.2Å; I1224-R1226 VanDerWaalsContact C-N 3.34Å; I1224-R1226 PolarHBondContact O-N 2.99Å; R1226-R1228 VanDerWaalsContact C-N 3.28Å; R1226-R1228 PolarHBondContact O-N 3.26Å; R1226-T1229 VanDerWaalsContact CA-OG1 3.3Å; R1226-T1229 WeakPolarHBondContact CA-OG1 3.3Å; R1226-T1229 PolarHBondContact O-N 3.16Å; R1226-T1229 PolarHBondContact O-OG1 2.99Å; R1226-T1229 VanDerWaalsContact O-OG1 3.13Å; R1226-E1230 VanDerWaalsContact O-CB 3.29Å; R1226-E1230 WeakPolarHBondContact O-CB 3.44Å; R1226-E1230 VanDerWaalsContact O-CG 3.31Å; R1226-E1230 WeakPolarHBondContact O-CG 3.3Å; R1226-E1230 PolarHBondContact O-N 3.16Å |
| 1227 | L | 78.7 | Confident | 75 | Confident | 18.6 Ų | 18.6 | 69.8 Ų | 69.8 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 176.7 | -71.9 | 171.8 | 0 | 0 | 0 | 111.8 | A1223 I1224 E1230 L1231 L1318 L1325 L1408 | A1223-L1227 WeakPolarHBondContact O-CG 3.34Å; A1223-L1227 PolarHBondContact O-N 3.2Å; I1224-L1227 PolarHBondContact O-N 3.28Å; L1227-E1230 PolarHBondContact O-N 2.78Å; L1227-L1231 VanDerWaalsContact O-CB 3.29Å; L1227-L1231 WeakPolarHBondContact O-CB 3.29Å; L1227-L1231 PolarHBondContact O-N 3.08Å; L1227-L1318 HydrophobicContact CD1-CD2 4.34Å; L1227-L1325 HydrophobicContact CB-CD1 4.35Å; L1227-L1325 HydrophobicContact CD1-CD1 4.3Å; L1227-L1408 HydrophobicContact CB-CD2 4.17Å |
| 1228 | R | 83.5 | Confident | 74.9 | Confident | 118.2 Ų | 118.2 | 67.6 Ų | 67.6 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 175.5 | -169.2 | 177.9 | -167.4 | 178.8 | 5.8 | 111.7 | I1224 E1225 R1226 L1231 F1232 E1405 L1408 | I1224-R1228 WeakPolarHBondContact O-CB 3.28Å; I1224-R1228 PolarHBondContact O-N 3.25Å; E1225-R1228 WeakPolarHBondContact O-CB 3.19Å; E1225-R1228 PolarHBondContact O-N 3.13Å; R1226-R1228 VanDerWaalsContact C-N 3.28Å; R1226-R1228 PolarHBondContact O-N 3.26Å; R1228-L1231 WeakPolarHBondContact O-CB 3.21Å; R1228-L1231 PolarHBondContact O-N 3.3Å; R1228-F1232 HydrophobicContact CG-CD2 3.76Å; R1228-F1232 HydrophobicContact CG-CE2 4.01Å; R1228-F1232 VanDerWaalsContact O-CD2 3.24Å; R1228-F1232 WeakPolarHBondContact O-CD2 3.29Å; R1228-F1232 PolarHBondContact O-N 3.2Å; R1228-E1405 IonicContact NH2-OE1 2.65Å; R1228-L1408 HydrophobicContact CB-CD1 4.18Å; R1228-L1408 HydrophobicContact CG-CD1 4.28Å |
| 1229 | T | 80.4 | Confident | 74.4 | Confident | 73.6 Ų | 73.6 | 66.9 Ų | 66.9 | 45% | 0.452 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 177.1 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | E1225 R1226 L1231 F1232 D1233 | E1225-T1229 HydrophobicContact CG-CG2 4.5Å; E1225-T1229 WeakPolarHBondContact O-CB 3.42Å; E1225-T1229 VanDerWaalsContact O-CG2 3.3Å; E1225-T1229 WeakPolarHBondContact O-CG2 3.36Å; E1225-T1229 PolarHBondContact O-N 3.2Å; E1225-T1229 PolarHBondContact O-OG1 3.04Å; E1225-T1229 VanDerWaalsContact O-OG1 3.13Å; R1226-T1229 VanDerWaalsContact CA-OG1 3.3Å; R1226-T1229 WeakPolarHBondContact CA-OG1 3.3Å; R1226-T1229 PolarHBondContact O-N 3.16Å; R1226-T1229 PolarHBondContact O-OG1 2.99Å; R1226-T1229 VanDerWaalsContact O-OG1 3.13Å; T1229-L1231 VanDerWaalsContact C-N 3.3Å; T1229-L1231 PolarHBondContact O-N 3.2Å; T1229-F1232 CarbonylContact O-C 3.6Å; T1229-F1232 PolarHBondContact O-N 3.03Å; T1229-D1233 WeakPolarHBondContact O-CA 3.32Å; T1229-D1233 VanDerWaalsContact O-CB 3.29Å; T1229-D1233 WeakPolarHBondContact O-CB 3.38Å; T1229-D1233 VanDerWaalsContact O-CG 3.26Å; T1229-D1233 PolarHBondContact O-N 3.22Å; T1229-D1233 VanDerWaalsContact O-N 3.07Å |
| 1230 | E | 77.1 | Confident | 73.5 | Confident | 50.4 Ų | 50.4 | 65.4 Ų | 65.4 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 173.6 | -77.4 | 179.2 | -158.4 | 0 | 0 | 111.7 | I557 R1226 L1227 R1326 R1329 | I557-E1230 HydrophobicContact CG2-CG 4.04Å; R1226-E1230 VanDerWaalsContact O-CB 3.29Å; R1226-E1230 WeakPolarHBondContact O-CB 3.44Å; R1226-E1230 VanDerWaalsContact O-CG 3.31Å; R1226-E1230 WeakPolarHBondContact O-CG 3.3Å; R1226-E1230 PolarHBondContact O-N 3.16Å; L1227-E1230 PolarHBondContact O-N 2.78Å; E1230-R1326 VanDerWaalsContact CD-NH2 3.35Å; E1230-R1326 IonicContact OE1-CZ 3.24Å; E1230-R1326 IonicContact OE1-NH2 3.74Å; E1230-R1326 PolarHBondContact OE1-NH2 3.08Å; E1230-R1326 IonicContact OE2-CZ 3.26Å; E1230-R1326 VanDerWaalsContact OE2-CZ 3.31Å; E1230-R1326 IonicContact OE2-NE 3.09Å; E1230-R1326 PolarHBondContact OE2-NE 3.16Å; E1230-R1326 VanDerWaalsContact OE2-NE 3.12Å; E1230-R1326 IonicContact OE2-NH2 3.31Å; E1230-R1326 PolarHBondContact OE2-NH2 2.92Å; E1230-R1329 WeakPolarHBondContact O-CD 3.29Å; E1230-R1329 PolarHBondContact O-NH1 3.17Å |
| 1231 | L | 76.9 | Confident | 73 | Confident | 5.6 Ų | 5.6 | 71.1 Ų | 71.1 | 3% | 0.029 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.2 | -43.3 | -179.3 | -169.3 | 82.2 | 0 | 0 | 0 | 112.3 | L1227 R1228 T1229 L1325 R1329 M1401 A1404 L1408 | L1227-L1231 VanDerWaalsContact O-CB 3.29Å; L1227-L1231 WeakPolarHBondContact O-CB 3.29Å; L1227-L1231 PolarHBondContact O-N 3.08Å; R1228-L1231 WeakPolarHBondContact O-CB 3.21Å; R1228-L1231 PolarHBondContact O-N 3.3Å; T1229-L1231 VanDerWaalsContact C-N 3.3Å; T1229-L1231 PolarHBondContact O-N 3.2Å; L1231-L1325 HydrophobicContact CD1-CB 4.31Å; L1231-L1325 HydrophobicContact CD1-CD2 4.31Å; L1231-R1329 HydrophobicContact CD1-CB 4.14Å; L1231-R1329 HydrophobicContact CD1-CG 4.36Å; L1231-M1401 HydrophobicContact CD1-CE 4.32Å; L1231-M1401 HydrophobicContact CD1-SD 4.5Å; L1231-M1401 HydrophobicContact CD2-CE 3.87Å; L1231-M1401 HydrophobicContact CG-CE 3.99Å; L1231-M1401 WeakPolarHBondContact O-CE 3.4Å; L1231-A1404 HydrophobicContact CD1-CB 3.7Å; L1231-A1404 HydrophobicContact CD2-CB 3.48Å; L1231-A1404 VanDerWaalsContact CD2-CB 3.46Å; L1231-A1404 HydrophobicContact CG-CB 4.18Å; L1231-L1408 HydrophobicContact CD2-CD1 3.83Å; L1231-L1408 HydrophobicContact CD2-CG 4.48Å |
| 1232 | F | 77.7 | Confident | 72.6 | Confident | 77.4 Ų | 77.4 | 70.1 Ų | 70.1 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -100.1 | 11.8 | -174.2 | -65.9 | -71.1 | 0 | 0 | 0 | 114.4 | R1228 T1229 P1234 M1401 E1405 L1408 | R1228-F1232 HydrophobicContact CG-CD2 3.76Å; R1228-F1232 HydrophobicContact CG-CE2 4.01Å; R1228-F1232 VanDerWaalsContact O-CD2 3.24Å; R1228-F1232 WeakPolarHBondContact O-CD2 3.29Å; R1228-F1232 PolarHBondContact O-N 3.2Å; T1229-F1232 CarbonylContact O-C 3.6Å; T1229-F1232 PolarHBondContact O-N 3.03Å; F1232-P1234 VanDerWaalsContact O-CD 3.28Å; F1232-P1234 WeakPolarHBondContact O-CD 3.31Å; F1232-M1401 HydrophobicContact CD1-CE 3.81Å; F1232-M1401 HydrophobicContact CE1-CE 3.79Å; F1232-M1401 HydrophobicContact CZ-CE 4.45Å; F1232-E1405 HydrophobicContact CE2-CG 4.35Å; F1232-E1405 HydrophobicContact CZ-CB 4.08Å; F1232-E1405 HydrophobicContact CZ-CG 4.2Å; F1232-L1408 HydrophobicContact CE2-CD1 4.37Å |
| 1233 | D | 73.7 | Confident | 72.2 | Confident | 61.2 Ų | 61.2 | 70.9 Ų | 70.9 | 33% | 0.327 | 37% | 0.365 | S | S | . | . | trans | -60.4 | 120.9 | 177.6 | -152.5 | -28.8 | 0 | 0 | 0 | 110.7 | T1229 S1235 Y1236 R1333 | T1229-D1233 WeakPolarHBondContact O-CA 3.32Å; T1229-D1233 VanDerWaalsContact O-CB 3.29Å; T1229-D1233 WeakPolarHBondContact O-CB 3.38Å; T1229-D1233 VanDerWaalsContact O-CG 3.26Å; T1229-D1233 PolarHBondContact O-N 3.22Å; T1229-D1233 VanDerWaalsContact O-N 3.07Å; D1233-S1235 VanDerWaalsContact CG-OG 3.25Å; D1233-S1235 PolarHBondContact O-N 3.06Å; D1233-S1235 VanDerWaalsContact O-N 3.08Å; D1233-S1235 WeakPolarHBondContact OD1-CA 3.37Å; D1233-S1235 WeakPolarHBondContact OD1-CB 3.38Å; D1233-S1235 PolarHBondContact OD1-N 2.99Å; D1233-S1235 PolarHBondContact OD1-OG 3.34Å; D1233-S1235 PolarHBondContact OD2-OG 3.32Å; D1233-Y1236 WeakPolarHBondContact O-CD1 3.49Å; D1233-Y1236 WeakPolarHBondContact O-CE2 3.32Å; D1233-Y1236 PolarHBondContact O-N 2.84Å; D1233-R1333 PolarHBondContact O-NH2 3.31Å | ||
| 1234 | P | 62.1 | Low | 72.1 | Confident | 112.2 Ų | 112.2 | 69.7 Ų | 69.7 | 73% | 0.729 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -68.8 | -11.2 | 179.5 | 29 | -35.7 | 0 | 0 | 0 | 113.8 | F1232 Y1236 | F1232-P1234 VanDerWaalsContact O-CD 3.28Å; F1232-P1234 WeakPolarHBondContact O-CD 3.31Å; P1234-Y1236 VanDerWaalsContact C-CD2 3.41Å; P1234-Y1236 VanDerWaalsContact C-N 3.35Å; P1234-Y1236 VanDerWaalsContact CA-CD2 3.48Å; P1234-Y1236 HydrophobicContact CB-CE2 4.31Å; P1234-Y1236 WeakPolarHBondContact O-CD2 3.25Å; P1234-Y1236 WeakPolarHBondContact O-CE2 3.25Å; P1234-Y1236 PolarHBondContact O-N 3.03Å |
| 1235 | S | 62.4 | Low | 72 | Confident | 60.4 Ų | 60.4 | 68.7 Ų | 68.7 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | trans | -84.4 | 51.1 | 178.7 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | D1233 H1237 R1333 | D1233-S1235 VanDerWaalsContact CG-OG 3.25Å; D1233-S1235 PolarHBondContact O-N 3.06Å; D1233-S1235 VanDerWaalsContact O-N 3.08Å; D1233-S1235 WeakPolarHBondContact OD1-CA 3.37Å; D1233-S1235 WeakPolarHBondContact OD1-CB 3.38Å; D1233-S1235 PolarHBondContact OD1-N 2.99Å; D1233-S1235 PolarHBondContact OD1-OG 3.34Å; D1233-S1235 PolarHBondContact OD2-OG 3.32Å; S1235-H1237 VanDerWaalsContact C-N 3.32Å; S1235-H1237 PolarHBondContact O-CD2 3.19Å; S1235-H1237 PolarHBondContact O-N 3.04Å; S1235-R1333 PolarHBondContact O-NE 3.45Å; S1235-R1333 PolarHBondContact O-NH1 3.48Å; S1235-R1333 PolarHBondContact O-NH2 2.99Å | ||
| 1236 | Y | 61.2 | Low | 71.8 | Confident | 70.4 Ų | 70.4 | 66 Ų | 66 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | trans | -73.1 | 86.8 | -176.2 | -73.1 | -88.3 | 0 | 0 | 0 | 113.4 | D1233 P1234 E1242 R1329 S1330 R1333 H1336 H1397 | D1233-Y1236 WeakPolarHBondContact O-CD1 3.49Å; D1233-Y1236 WeakPolarHBondContact O-CE2 3.32Å; D1233-Y1236 PolarHBondContact O-N 2.84Å; P1234-Y1236 VanDerWaalsContact C-CD2 3.41Å; P1234-Y1236 VanDerWaalsContact C-N 3.35Å; P1234-Y1236 VanDerWaalsContact CA-CD2 3.48Å; P1234-Y1236 HydrophobicContact CB-CE2 4.31Å; P1234-Y1236 WeakPolarHBondContact O-CD2 3.25Å; P1234-Y1236 WeakPolarHBondContact O-CE2 3.25Å; P1234-Y1236 PolarHBondContact O-N 3.03Å; Y1236-E1242 PolarHBondContact OH-OE1 3.32Å; Y1236-E1242 PolarHBondContact OH-OE2 2.89Å; Y1236-R1329 VanDerWaalsContact CB-CZ 3.4Å; Y1236-R1329 HydrophobicContact CD1-CG 3.67Å; Y1236-R1329 VanDerWaalsContact CD1-NE 3.26Å; Y1236-R1329 HydrophobicContact CD2-CG 3.84Å; Y1236-R1329 HydrophobicContact CE1-CG 3.85Å; Y1236-R1329 VanDerWaalsContact CE1-NE 3.35Å; Y1236-R1329 HydrophobicContact CE2-CG 4.15Å; Y1236-S1330 PolarHBondContact OH-OG 3.37Å; Y1236-R1333 VanDerWaalsContact CA-NH1 3.31Å; Y1236-R1333 VanDerWaalsContact CA-NH2 3.29Å; Y1236-R1333 HydrophobicContact CD1-CB 4.22Å; Y1236-R1333 HydrophobicContact CD1-CG 4.26Å; Y1236-R1333 HydrophobicContact CD2-CB 4.01Å; Y1236-R1333 HydrophobicContact CD2-CG 4.14Å; Y1236-R1333 HydrophobicContact CE1-CB 4Å; Y1236-R1333 HydrophobicContact CE1-CG 4.29Å; Y1236-R1333 HydrophobicContact CE2-CB 3.5Å; Y1236-R1333 VanDerWaalsContact CE2-CB 3.5Å; Y1236-R1333 HydrophobicContact CE2-CG 3.87Å; Y1236-R1333 VanDerWaalsContact O-CZ 3.31Å; Y1236-R1333 PolarHBondContact O-NE 3.37Å; Y1236-R1333 PolarHBondContact O-NH1 2.98Å; Y1236-R1333 VanDerWaalsContact O-NH1 3.09Å; Y1236-R1333 PolarHBondContact O-NH2 3.24Å; Y1236-H1336 AromaticContact CD1-CD2 3.42Å; Y1236-H1336 VanDerWaalsContact CD1-CD2 3.42Å; Y1236-H1336 WeakPolarHBondContact CD1-CD2 3.29Å; Y1236-H1336 AromaticContact CD1-CE1 3.92Å; Y1236-H1336 AromaticContact CD1-CG 3.82Å; Y1236-H1336 AromaticContact CD1-NE2 3.49Å; Y1236-H1336 WeakPolarHBondContact CD1-NE2 3.42Å; Y1236-H1336 AromaticContact CD2-NE2 3.84Å; Y1236-H1336 AromaticContact CE1-CE1 3.78Å; Y1236-H1336 AromaticContact CE1-NE2 3.78Å; Y1236-H1336 AromaticContact CG-CD2 3.62Å; Y1236-H1336 AromaticContact CG-NE2 3.51Å; Y1236-H1397 PolarHBondContact OH-CE1 3.42Å | ||
| 1237 | H | 65.9 | Low | 71.8 | Confident | 107.8 Ų | 107.8 | 59.5 Ų | 59.5 | 50% | 0.499 | 32% | 0.317 | S | S | . | . | trans | -108.2 | 145.3 | 167.8 | -63.3 | -69.9 | 0 | 0 | 0 | 112.4 | E550 S1235 L1239 R1333 | E550-H1237 IonicContact OE2-CE1 3.27Å; S1235-H1237 VanDerWaalsContact C-N 3.32Å; S1235-H1237 PolarHBondContact O-CD2 3.19Å; S1235-H1237 PolarHBondContact O-N 3.04Å; H1237-L1239 PolarHBondContact O-N 3.21Å; H1237-R1333 VanDerWaalsContact CA-NH1 3.25Å; H1237-R1333 VanDerWaalsContact N-CZ 3.32Å; H1237-R1333 VanDerWaalsContact N-NH2 3.12Å; H1237-R1333 PolarHBondContact ND1-NH2 3.37Å; H1237-R1333 PolarHBondContact O-NH1 3.06Å; H1237-R1333 VanDerWaalsContact O-NH1 3.17Å; H1237-R1333 PolarHBondContact O-NH2 2.79Å | ||
| 1238 | L | 67.2 | Low | 71.9 | Confident | 38 Ų | 38 | 58.7 Ų | 58.7 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 139.6 | 166.5 | -76.9 | 164.5 | 0 | 0 | 0 | 107.8 | E1242 I1247 S1330 R1333 Y1334 N1337 | L1238-E1242 HydrophobicContact CD2-CB 4.22Å; L1238-I1247 HydrophobicContact CD2-CD1 3.8Å; L1238-S1330 WeakPolarHBondContact CD2-O 3.5Å; L1238-R1333 HydrophobicContact CD2-CB 4.26Å; L1238-R1333 HydrophobicContact CD2-CG 4.26Å; L1238-R1333 HydrophobicContact CG-CB 4.23Å; L1238-R1333 HydrophobicContact CG-CG 4.04Å; L1238-R1333 VanDerWaalsContact N-NH1 3.13Å; L1238-Y1334 HydrophobicContact CD1-CD2 4.22Å; L1238-N1337 VanDerWaalsContact CD1-ND2 3.28Å; L1238-N1337 WeakPolarHBondContact CD1-ND2 3.4Å |
| 1239 | L | 65.5 | Low | 71.8 | Confident | 69.8 Ų | 69.8 | 55.1 Ų | 55.1 | 37% | 0.365 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 148 | 175.7 | -69.2 | 145.7 | 0 | 0 | 0 | 109.2 | T559 W562 H1237 N1241 E1242 | T559-L1239 HydrophobicContact CG2-CD2 4.37Å; W562-L1239 HydrophobicContact CB-CD1 4.3Å; W562-L1239 HydrophobicContact CB-CD2 3.85Å; W562-L1239 HydrophobicContact CD2-CD2 4.22Å; W562-L1239 HydrophobicContact CE3-CD2 4.41Å; W562-L1239 HydrophobicContact CG-CD1 4.31Å; W562-L1239 HydrophobicContact CG-CD2 3.97Å; H1237-L1239 PolarHBondContact O-N 3.21Å; L1239-N1241 PolarHBondContact O-N 3.33Å; L1239-N1241 VanDerWaalsContact O-N 3.17Å; L1239-E1242 HydrophobicContact CB-CB 4.39Å; L1239-E1242 HydrophobicContact CB-CG 3.93Å; L1239-E1242 HydrophobicContact CD1-CG 4.4Å; L1239-E1242 WeakPolarHBondContact CD1-OE1 3.33Å; L1239-E1242 WeakPolarHBondContact CD1-OE2 3.25Å; L1239-E1242 HydrophobicContact CG-CG 4.46Å; L1239-E1242 PolarHBondContact N-OE2 3.2Å; L1239-E1242 WeakPolarHBondContact O-CB 3.38Å; L1239-E1242 PolarHBondContact O-N 2.95Å |
| 1240 | P | 57 | Low | 71.8 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 88.2 | 178.5 | -6.8 | 9.4 | 0 | 0 | 0 | 111.7 | Y546 A551 W562 | Y546-P1240 HydrophobicContact CD1-CB 3.48Å; Y546-P1240 VanDerWaalsContact CD1-CB 3.48Å; Y546-P1240 HydrophobicContact CD1-CG 4.24Å; Y546-P1240 HydrophobicContact CE1-CB 3.53Å; Y546-P1240 HydrophobicContact CE1-CG 4.42Å; Y546-P1240 HydrophobicContact CG-CB 4.13Å; Y546-P1240 HydrophobicContact CG-CG 4.42Å; A551-P1240 HydrophobicContact CB-CG 3.82Å; W562-P1240 HydrophobicContact CH2-CB 4.38Å; W562-P1240 HydrophobicContact CH2-CG 3.67Å; W562-P1240 HydrophobicContact CZ2-CB 4.47Å; W562-P1240 HydrophobicContact CZ2-CG 4.14Å; W562-P1240 HydrophobicContact CZ3-CG 4.1Å |
| 1241 | N | 63.5 | Low | 72.2 | Confident | 125.6 Ų | 125.6 | 52.2 Ų | 52.2 | 67% | 0.672 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -3.2 | -178.6 | -51.3 | -21 | 0 | 0 | 0 | 115.6 | L1239 T1243 | L1239-N1241 PolarHBondContact O-N 3.33Å; L1239-N1241 VanDerWaalsContact O-N 3.17Å; N1241-T1243 PolarHBondContact O-N 3.31Å; N1241-T1243 VanDerWaalsContact O-N 3.09Å |
| 1242 | E | 69.2 | Low | 72.5 | Confident | 48.4 Ų | 48.4 | 54 Ų | 54 | 23% | 0.226 | 30% | 0.299 | C | S | . | . | trans | -77.1 | 92.9 | 175.4 | -76.6 | -177.6 | 148.3 | 0 | 0 | 110.9 | Y1236 L1238 L1239 I1247 R1329 S1330 | Y1236-E1242 PolarHBondContact OH-OE1 3.32Å; Y1236-E1242 PolarHBondContact OH-OE2 2.89Å; L1238-E1242 HydrophobicContact CD2-CB 4.22Å; L1239-E1242 HydrophobicContact CB-CB 4.39Å; L1239-E1242 HydrophobicContact CB-CG 3.93Å; L1239-E1242 HydrophobicContact CD1-CG 4.4Å; L1239-E1242 WeakPolarHBondContact CD1-OE1 3.33Å; L1239-E1242 WeakPolarHBondContact CD1-OE2 3.25Å; L1239-E1242 HydrophobicContact CG-CG 4.46Å; L1239-E1242 PolarHBondContact N-OE2 3.2Å; L1239-E1242 WeakPolarHBondContact O-CB 3.38Å; L1239-E1242 PolarHBondContact O-N 2.95Å; E1242-I1247 HydrophobicContact CB-CD1 4.14Å; E1242-I1247 HydrophobicContact CB-CG1 4.07Å; E1242-I1247 HydrophobicContact CG-CG1 4.36Å; E1242-R1329 IonicContact OE1-NH2 3.45Å; E1242-R1329 IonicContact OE2-NH2 3.15Å; E1242-S1330 PolarHBondContact OE1-OG 3.34Å; E1242-S1330 PolarHBondContact OE2-OG 3.19Å | ||
| 1243 | T | 72.7 | Confident | 72.6 | Confident | 64.6 Ų | 64.6 | 52.9 Ų | 52.9 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | trans | -86.1 | 157.4 | 166.6 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | N1241 D1245 S1246 I1247 | N1241-T1243 PolarHBondContact O-N 3.31Å; N1241-T1243 VanDerWaalsContact O-N 3.09Å; T1243-D1245 VanDerWaalsContact C-N 3.25Å; T1243-D1245 PolarHBondContact O-N 2.98Å; T1243-D1245 VanDerWaalsContact O-N 3.16Å; T1243-S1246 PolarHBondContact N-OG 3.35Å; T1243-S1246 VanDerWaalsContact N-OG 3.12Å; T1243-S1246 WeakPolarHBondContact O-CA 3.22Å; T1243-S1246 WeakPolarHBondContact O-CB 3.48Å; T1243-S1246 PolarHBondContact O-N 3Å; T1243-S1246 VanDerWaalsContact O-N 3.09Å; T1243-S1246 PolarHBondContact O-OG 3.14Å; T1243-S1246 WeakPolarHBondContact OG1-CB 3.47Å; T1243-S1246 PolarHBondContact OG1-N 3.17Å; T1243-S1246 PolarHBondContact OG1-OG 3.17Å; T1243-I1247 VanDerWaalsContact O-CG1 3.29Å; T1243-I1247 WeakPolarHBondContact O-CG1 3.43Å; T1243-I1247 PolarHBondContact O-N 3.29Å | ||
| 1244 | L | 76.2 | Confident | 73.1 | Confident | 5.2 Ų | 5.2 | 50.3 Ų | 50.3 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -51.1 | -41.9 | 175.2 | 178.8 | 62.9 | 0 | 0 | 0 | 112 | S1246 I1247 C1248 L1331 Y1334 L1348 P1454 L1557 I1558 | L1244-S1246 VanDerWaalsContact C-N 3.33Å; L1244-S1246 PolarHBondContact O-N 2.89Å; L1244-I1247 PolarHBondContact O-N 3.08Å; L1244-C1248 VanDerWaalsContact O-CB 3.32Å; L1244-C1248 WeakPolarHBondContact O-CB 3.29Å; L1244-C1248 PolarHBondContact O-N 3.2Å; L1244-C1248 PolarHBondContact O-SG 3.09Å; L1244-C1248 VanDerWaalsContact O-SG 3.38Å; L1244-L1331 HydrophobicContact CD1-CD1 4.13Å; L1244-Y1334 HydrophobicContact CB-CD2 4.26Å; L1244-Y1334 HydrophobicContact CB-CE1 4.33Å; L1244-Y1334 HydrophobicContact CB-CE2 3.79Å; L1244-Y1334 HydrophobicContact CD1-CD1 3.73Å; L1244-Y1334 HydrophobicContact CD1-CD2 4.37Å; L1244-Y1334 HydrophobicContact CD1-CE1 3.78Å; L1244-Y1334 HydrophobicContact CD1-CE2 4.39Å; L1244-Y1334 HydrophobicContact CD1-CG 4.06Å; L1244-Y1334 HydrophobicContact CD2-CE1 3.85Å; L1244-Y1334 HydrophobicContact CD2-CE2 4.49Å; L1244-Y1334 HydrophobicContact CG-CE1 4.2Å; L1244-Y1334 HydrophobicContact CG-CE2 4.45Å; L1244-L1348 HydrophobicContact CD2-CD1 4.5Å; L1244-P1454 HydrophobicContact CD1-CG 4.48Å; L1244-P1454 HydrophobicContact CD2-CG 4.42Å; L1244-L1557 HydrophobicContact CG-CD2 4.31Å; L1244-I1558 HydrophobicContact CD2-CD1 3.78Å; L1244-I1558 HydrophobicContact CD2-CG1 3.74Å |
| 1245 | D | 77.4 | Confident | 74.2 | Confident | 13.2 Ų | 13.2 | 45 Ų | 45 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 178.5 | -63.6 | -7.1 | 0 | 0 | 0 | 110.6 | T1243 I1247 C1248 V1249 S1555 N1556 L1557 L1613 | T1243-D1245 VanDerWaalsContact C-N 3.25Å; T1243-D1245 PolarHBondContact O-N 2.98Å; T1243-D1245 VanDerWaalsContact O-N 3.16Å; D1245-I1247 PolarHBondContact O-N 3.33Å; D1245-C1248 PolarHBondContact O-N 3.32Å; D1245-V1249 WeakPolarHBondContact O-CB 3.41Å; D1245-V1249 VanDerWaalsContact O-CG2 3.28Å; D1245-V1249 WeakPolarHBondContact O-CG2 3.31Å; D1245-V1249 PolarHBondContact O-N 3.26Å; D1245-S1555 VanDerWaalsContact OD1-CB 3.24Å; D1245-S1555 WeakPolarHBondContact OD1-CB 3.34Å; D1245-S1555 PolarHBondContact OD1-OG 3.15Å; D1245-N1556 PolarHBondContact OD2-N 2.97Å; D1245-N1556 VanDerWaalsContact OD2-N 3.1Å; D1245-L1557 WeakPolarHBondContact OD1-CB 3.4Å; D1245-L1557 PolarHBondContact OD1-N 3.13Å; D1245-L1557 VanDerWaalsContact OD1-N 3.15Å; D1245-L1613 HydrophobicContact CB-CD2 3.8Å; D1245-L1613 VanDerWaalsContact CG-CD2 3.41Å; D1245-L1613 WeakPolarHBondContact OD2-CD2 3.4Å |
| 1246 | S | 78.3 | Confident | 75 | Confident | 42.6 Ų | 42.6 | 44 Ų | 44 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.8 | 112.2 | 0 | 0 | 0 | 0 | 112.9 | T1243 L1244 C1248 V1249 S1250 | T1243-S1246 PolarHBondContact N-OG 3.35Å; T1243-S1246 VanDerWaalsContact N-OG 3.12Å; T1243-S1246 WeakPolarHBondContact O-CA 3.22Å; T1243-S1246 WeakPolarHBondContact O-CB 3.48Å; T1243-S1246 PolarHBondContact O-N 3Å; T1243-S1246 VanDerWaalsContact O-N 3.09Å; T1243-S1246 PolarHBondContact O-OG 3.14Å; T1243-S1246 WeakPolarHBondContact OG1-CB 3.47Å; T1243-S1246 PolarHBondContact OG1-N 3.17Å; T1243-S1246 PolarHBondContact OG1-OG 3.17Å; L1244-S1246 VanDerWaalsContact C-N 3.33Å; L1244-S1246 PolarHBondContact O-N 2.89Å; S1246-C1248 PolarHBondContact O-N 2.94Å; S1246-V1249 PolarHBondContact O-N 2.89Å; S1246-S1250 VanDerWaalsContact O-CB 3.28Å; S1246-S1250 WeakPolarHBondContact O-CB 3.41Å; S1246-S1250 PolarHBondContact O-N 3.14Å; S1246-S1250 PolarHBondContact O-OG 2.99Å |
| 1247 | I | 81.3 | Confident | 75.8 | Confident | 2.8 Ų | 2.8 | 44 Ų | 44 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 179.1 | -64.9 | 164.6 | 0 | 0 | 0 | 110 | L1238 E1242 T1243 L1244 D1245 S1250 L1251 L1331 | L1238-I1247 HydrophobicContact CD2-CD1 3.8Å; E1242-I1247 HydrophobicContact CB-CD1 4.14Å; E1242-I1247 HydrophobicContact CB-CG1 4.07Å; E1242-I1247 HydrophobicContact CG-CG1 4.36Å; T1243-I1247 VanDerWaalsContact O-CG1 3.29Å; T1243-I1247 WeakPolarHBondContact O-CG1 3.43Å; T1243-I1247 PolarHBondContact O-N 3.29Å; L1244-I1247 PolarHBondContact O-N 3.08Å; D1245-I1247 PolarHBondContact O-N 3.33Å; I1247-S1250 PolarHBondContact O-N 3.3Å; I1247-S1250 PolarHBondContact O-OG 3.15Å; I1247-L1251 VanDerWaalsContact O-CB 3.25Å; I1247-L1251 WeakPolarHBondContact O-CB 3.34Å; I1247-L1251 PolarHBondContact O-N 3.13Å; I1247-L1331 HydrophobicContact CG2-CB 3.99Å; I1247-L1331 HydrophobicContact CG2-CD1 4.45Å |
| 1248 | C | 81.3 | Confident | 76.6 | Confident | 2.4 Ų | 2.4 | 38.9 Ų | 38.9 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.3 | -40.8 | -177.7 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | L1244 D1245 S1246 L1251 W1252 I1453 L1557 | L1244-C1248 VanDerWaalsContact O-CB 3.32Å; L1244-C1248 WeakPolarHBondContact O-CB 3.29Å; L1244-C1248 PolarHBondContact O-N 3.2Å; L1244-C1248 PolarHBondContact O-SG 3.09Å; L1244-C1248 VanDerWaalsContact O-SG 3.38Å; D1245-C1248 PolarHBondContact O-N 3.32Å; S1246-C1248 PolarHBondContact O-N 2.94Å; C1248-L1251 PolarHBondContact O-N 3.05Å; C1248-W1252 VanDerWaalsContact O-CB 3.27Å; C1248-W1252 WeakPolarHBondContact O-CB 3.41Å; C1248-W1252 VanDerWaalsContact O-CD1 3.23Å; C1248-W1252 PolarHBondContact O-N 3Å; C1248-I1453 HydrophobicContact CB-CG2 4.06Å; C1248-L1557 HydrophobicContact CB-CD2 3.41Å; C1248-L1557 VanDerWaalsContact CB-CD2 3.45Å; C1248-L1557 VanDerWaalsContact SG-CD2 3.54Å; C1248-L1557 WeakPolarHBondContact SG-CD2 3.34Å |
| 1249 | V | 80.7 | Confident | 77.2 | Confident | 43 Ų | 43 | 38.9 Ų | 38.9 | 26% | 0.261 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | D1245 S1246 L1251 W1252 S1253 R1611 L1613 | D1245-V1249 WeakPolarHBondContact O-CB 3.41Å; D1245-V1249 VanDerWaalsContact O-CG2 3.28Å; D1245-V1249 WeakPolarHBondContact O-CG2 3.31Å; D1245-V1249 PolarHBondContact O-N 3.26Å; S1246-V1249 PolarHBondContact O-N 2.89Å; V1249-L1251 VanDerWaalsContact C-N 3.34Å; V1249-L1251 PolarHBondContact O-N 3.25Å; V1249-W1252 WeakPolarHBondContact O-CB 3.13Å; V1249-W1252 PolarHBondContact O-N 3.17Å; V1249-S1253 WeakPolarHBondContact O-CB 3.29Å; V1249-S1253 PolarHBondContact O-N 3.13Å; V1249-S1253 PolarHBondContact O-OG 3.31Å; V1249-R1611 WeakPolarHBondContact CG1-O 3.31Å; V1249-L1613 HydrophobicContact CG2-CB 4.08Å |
| 1250 | S | 80.5 | Confident | 77.7 | Confident | 63 Ų | 63 | 42.8 Ų | 42.8 | 44% | 0.441 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65 | -41.5 | 177.4 | 100.9 | 0 | 0 | 0 | 0 | 112.7 | S1246 I1247 W1252 S1253 A1254 | S1246-S1250 VanDerWaalsContact O-CB 3.28Å; S1246-S1250 WeakPolarHBondContact O-CB 3.41Å; S1246-S1250 PolarHBondContact O-N 3.14Å; S1246-S1250 PolarHBondContact O-OG 2.99Å; I1247-S1250 PolarHBondContact O-N 3.3Å; I1247-S1250 PolarHBondContact O-OG 3.15Å; S1250-W1252 VanDerWaalsContact C-N 3.33Å; S1250-W1252 PolarHBondContact O-N 2.72Å; S1250-S1253 WeakPolarHBondContact CA-OG 3.34Å; S1250-S1253 PolarHBondContact O-N 3.05Å; S1250-S1253 PolarHBondContact O-OG 3.05Å; S1250-A1254 VanDerWaalsContact O-CB 3.27Å; S1250-A1254 WeakPolarHBondContact O-CB 3.32Å; S1250-A1254 PolarHBondContact O-N 3.26Å |
| 1251 | L | 85.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 175.6 | 179.4 | 58.4 | 0 | 0 | 0 | 111.7 | I1247 C1248 V1249 A1254 I1255 I1328 L1331 V1449 I1453 | I1247-L1251 VanDerWaalsContact O-CB 3.25Å; I1247-L1251 WeakPolarHBondContact O-CB 3.34Å; I1247-L1251 PolarHBondContact O-N 3.13Å; C1248-L1251 PolarHBondContact O-N 3.05Å; V1249-L1251 VanDerWaalsContact C-N 3.34Å; V1249-L1251 PolarHBondContact O-N 3.25Å; L1251-A1254 PolarHBondContact O-N 3.32Å; L1251-I1255 HydrophobicContact CD1-CD1 3.75Å; L1251-I1255 HydrophobicContact CD1-CG1 4.19Å; L1251-I1255 HydrophobicContact CG-CD1 3.92Å; L1251-I1255 WeakPolarHBondContact O-CD1 3.42Å; L1251-I1255 VanDerWaalsContact O-CG1 3.24Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.32Å; L1251-I1255 PolarHBondContact O-N 3.11Å; L1251-I1328 HydrophobicContact CD1-CG1 4.23Å; L1251-L1331 HydrophobicContact CD2-CB 4.35Å; L1251-L1331 HydrophobicContact CD2-CD2 3.78Å; L1251-V1449 HydrophobicContact CD1-CG1 4.14Å; L1251-V1449 HydrophobicContact CD2-CG1 3.78Å; L1251-V1449 HydrophobicContact CG-CG1 4.31Å; L1251-I1453 HydrophobicContact CD2-CD1 4.02Å; L1251-I1453 HydrophobicContact CD2-CG1 4.11Å; L1251-I1453 HydrophobicContact CG-CD1 4.14Å |
| 1252 | W | 82.1 | Confident | 78.8 | Confident | 43.4 Ų | 43.4 | 34.9 Ų | 34.9 | 16% | 0.164 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -49.6 | 175.4 | -123.7 | 83.9 | 0 | 0 | 0 | 111.8 | C1248 V1249 S1250 A1254 I1255 T1256 L1450 I1453 E1456 L1557 M1610 R1611 | C1248-W1252 VanDerWaalsContact O-CB 3.27Å; C1248-W1252 WeakPolarHBondContact O-CB 3.41Å; C1248-W1252 VanDerWaalsContact O-CD1 3.23Å; C1248-W1252 PolarHBondContact O-N 3Å; V1249-W1252 WeakPolarHBondContact O-CB 3.13Å; V1249-W1252 PolarHBondContact O-N 3.17Å; S1250-W1252 VanDerWaalsContact C-N 3.33Å; S1250-W1252 PolarHBondContact O-N 2.72Å; W1252-A1254 VanDerWaalsContact C-N 3.33Å; W1252-A1254 PolarHBondContact O-N 2.94Å; W1252-I1255 PolarHBondContact O-N 3.16Å; W1252-T1256 HydrophobicContact CD2-CG2 4.19Å; W1252-T1256 HydrophobicContact CE3-CG2 3.89Å; W1252-T1256 HydrophobicContact CH2-CG2 3.53Å; W1252-T1256 HydrophobicContact CZ2-CG2 3.93Å; W1252-T1256 HydrophobicContact CZ3-CG2 3.84Å; W1252-T1256 WeakPolarHBondContact O-CG2 3.4Å; W1252-T1256 PolarHBondContact O-N 2.93Å; W1252-T1256 PolarHBondContact O-OG1 2.93Å; W1252-T1256 VanDerWaalsContact O-OG1 3.13Å; W1252-L1450 HydrophobicContact CD2-CD2 4.06Å; W1252-L1450 HydrophobicContact CE3-CD2 4.09Å; W1252-L1450 HydrophobicContact CH2-CD1 4.44Å; W1252-L1450 HydrophobicContact CH2-CD2 3.93Å; W1252-L1450 HydrophobicContact CZ2-CD2 3.68Å; W1252-L1450 HydrophobicContact CZ3-CD2 4.18Å; W1252-I1453 HydrophobicContact CB-CD1 4.38Å; W1252-I1453 VanDerWaalsContact CD1-CD1 3.43Å; W1252-I1453 HydrophobicContact CD2-CD1 4.28Å; W1252-I1453 HydrophobicContact CD2-CG2 4.44Å; W1252-I1453 HydrophobicContact CG-CD1 4.13Å; W1252-I1453 HydrophobicContact CH2-CG2 4.19Å; W1252-I1453 HydrophobicContact CZ2-CG2 3.74Å; W1252-E1456 HydrophobicContact CH2-CG 3.96Å; W1252-E1456 WeakPolarHBondContact CH2-OE1 3.34Å; W1252-E1456 WeakPolarHBondContact CH2-OE2 3.38Å; W1252-E1456 HydrophobicContact CZ2-CB 3.83Å; W1252-E1456 HydrophobicContact CZ2-CG 3.37Å; W1252-E1456 VanDerWaalsContact CZ2-CG 3.41Å; W1252-E1456 WeakPolarHBondContact CZ2-OE1 3.44Å; W1252-E1456 WeakPolarHBondContact CZ2-OE2 3.32Å; W1252-E1456 PolarHBondContact NE1-OE1 3.43Å; W1252-E1456 PolarHBondContact NE1-OE2 3.06Å; W1252-L1557 HydrophobicContact CH2-CD1 3.92Å; W1252-L1557 HydrophobicContact CZ3-CD1 3.96Å; W1252-M1610 HydrophobicContact CH2-CB 3.45Å; W1252-M1610 VanDerWaalsContact CH2-CB 3.45Å; W1252-M1610 HydrophobicContact CH2-CE 3.8Å; W1252-M1610 HydrophobicContact CH2-CG 4.4Å; W1252-M1610 HydrophobicContact CH2-SD 4.38Å; W1252-M1610 HydrophobicContact CZ2-CE 4.45Å; W1252-M1610 VanDerWaalsContact CZ3-C 3.44Å; W1252-M1610 HydrophobicContact CZ3-CB 3.65Å; W1252-M1610 VanDerWaalsContact CZ3-O 3.25Å; W1252-M1610 WeakPolarHBondContact CZ3-O 3.26Å; W1252-R1611 HydrophobicContact CD2-CG 3.89Å; W1252-R1611 HydrophobicContact CE3-CB 4.39Å; W1252-R1611 HydrophobicContact CE3-CG 3.71Å; W1252-R1611 HydrophobicContact CG-CG 4.33Å; W1252-R1611 HydrophobicContact CZ3-CG 4.2Å |
| 1253 | S | 81 | Confident | 78.3 | Confident | 53 Ų | 53 | 34.4 Ų | 34.4 | 37% | 0.371 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 177.1 | 100.8 | 0 | 0 | 0 | 0 | 111.4 | V1249 S1250 I1255 T1256 D1257 | V1249-S1253 WeakPolarHBondContact O-CB 3.29Å; V1249-S1253 PolarHBondContact O-N 3.13Å; V1249-S1253 PolarHBondContact O-OG 3.31Å; S1250-S1253 WeakPolarHBondContact CA-OG 3.34Å; S1250-S1253 PolarHBondContact O-N 3.05Å; S1250-S1253 PolarHBondContact O-OG 3.05Å; S1253-I1255 VanDerWaalsContact C-N 3.33Å; S1253-I1255 PolarHBondContact O-N 2.96Å; S1253-T1256 VanDerWaalsContact CA-OG1 3.31Å; S1253-T1256 WeakPolarHBondContact CA-OG1 3.31Å; S1253-T1256 CarbonylContact O-C 3.56Å; S1253-T1256 PolarHBondContact O-N 3.13Å; S1253-T1256 PolarHBondContact O-OG1 3.2Å; S1253-D1257 WeakPolarHBondContact O-CB 3.32Å; S1253-D1257 PolarHBondContact O-N 3.17Å; S1253-D1257 VanDerWaalsContact O-OD2 3.06Å; S1253-D1257 PolarHBondContact OG-OD2 2.99Å |
| 1254 | A | 84.5 | Confident | 77.3 | Confident | 7.8 Ų | 7.8 | 36 Ų | 36 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1250 L1251 W1252 D1257 Y1258 P1323 V1324 | S1250-A1254 VanDerWaalsContact O-CB 3.27Å; S1250-A1254 WeakPolarHBondContact O-CB 3.32Å; S1250-A1254 PolarHBondContact O-N 3.26Å; L1251-A1254 PolarHBondContact O-N 3.32Å; W1252-A1254 VanDerWaalsContact C-N 3.33Å; W1252-A1254 PolarHBondContact O-N 2.94Å; A1254-D1257 PolarHBondContact O-N 3.34Å; A1254-Y1258 VanDerWaalsContact O-CB 3.32Å; A1254-Y1258 WeakPolarHBondContact O-CB 3.35Å; A1254-Y1258 PolarHBondContact O-N 3.14Å; A1254-P1323 HydrophobicContact CB-CB 3.82Å; A1254-V1324 HydrophobicContact CB-CG2 3.83Å; A1254-V1324 WeakPolarHBondContact O-CG2 3.4Å |
| 1255 | I | 83.5 | Confident | 75.5 | Confident | 0.6 Ų | 0.6 | 42.8 Ų | 42.8 | 0% | 0.003 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.7 | -37.3 | 177.7 | -65.6 | 166.7 | 0 | 0 | 0 | 111.1 | L1251 W1252 S1253 Y1258 N1259 V1324 I1446 V1449 L1450 | L1251-I1255 HydrophobicContact CD1-CD1 3.75Å; L1251-I1255 HydrophobicContact CD1-CG1 4.19Å; L1251-I1255 HydrophobicContact CG-CD1 3.92Å; L1251-I1255 WeakPolarHBondContact O-CD1 3.42Å; L1251-I1255 VanDerWaalsContact O-CG1 3.24Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.32Å; L1251-I1255 PolarHBondContact O-N 3.11Å; W1252-I1255 PolarHBondContact O-N 3.16Å; S1253-I1255 VanDerWaalsContact C-N 3.33Å; S1253-I1255 PolarHBondContact O-N 2.96Å; I1255-Y1258 PolarHBondContact O-N 3.24Å; I1255-N1259 VanDerWaalsContact O-CB 3.3Å; I1255-N1259 WeakPolarHBondContact O-CB 3.3Å; I1255-N1259 VanDerWaalsContact O-CG 3.28Å; I1255-N1259 PolarHBondContact O-N 3.09Å; I1255-N1259 PolarHBondContact O-ND2 3.06Å; I1255-V1324 HydrophobicContact CG1-CG1 4.12Å; I1255-V1324 HydrophobicContact CG1-CG2 4.16Å; I1255-I1446 HydrophobicContact CG1-CG2 4.2Å; I1255-I1446 HydrophobicContact CG2-CG2 4.05Å; I1255-V1449 HydrophobicContact CD1-CB 4.15Å; I1255-V1449 HydrophobicContact CD1-CG1 4.09Å; I1255-L1450 HydrophobicContact CB-CD2 4.14Å; I1255-L1450 HydrophobicContact CD1-CD2 3.52Å; I1255-L1450 VanDerWaalsContact CD1-CD2 3.48Å; I1255-L1450 HydrophobicContact CD1-CG 3.91Å; I1255-L1450 HydrophobicContact CG1-CD2 4.43Å; I1255-L1450 HydrophobicContact CG2-CD1 3.75Å; I1255-L1450 HydrophobicContact CG2-CD2 3.91Å; I1255-L1450 HydrophobicContact CG2-CG 3.95Å |
| 1256 | T | 80 | Confident | 73.7 | Confident | 39.2 Ų | 39.2 | 49.5 Ų | 49.5 | 24% | 0.24 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 174.3 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | W1252 S1253 Y1258 N1259 Q1260 | W1252-T1256 HydrophobicContact CD2-CG2 4.19Å; W1252-T1256 HydrophobicContact CE3-CG2 3.89Å; W1252-T1256 HydrophobicContact CH2-CG2 3.53Å; W1252-T1256 HydrophobicContact CZ2-CG2 3.93Å; W1252-T1256 HydrophobicContact CZ3-CG2 3.84Å; W1252-T1256 WeakPolarHBondContact O-CG2 3.4Å; W1252-T1256 PolarHBondContact O-N 2.93Å; W1252-T1256 PolarHBondContact O-OG1 2.93Å; W1252-T1256 VanDerWaalsContact O-OG1 3.13Å; S1253-T1256 VanDerWaalsContact CA-OG1 3.31Å; S1253-T1256 WeakPolarHBondContact CA-OG1 3.31Å; S1253-T1256 CarbonylContact O-C 3.56Å; S1253-T1256 PolarHBondContact O-N 3.13Å; S1253-T1256 PolarHBondContact O-OG1 3.2Å; T1256-Y1258 VanDerWaalsContact C-N 3.32Å; T1256-Y1258 PolarHBondContact O-N 3.07Å; T1256-N1259 PolarHBondContact O-N 3.01Å; T1256-Q1260 WeakPolarHBondContact O-CB 3.41Å; T1256-Q1260 VanDerWaalsContact O-CG 3.28Å; T1256-Q1260 WeakPolarHBondContact O-CG 3.35Å; T1256-Q1260 PolarHBondContact O-N 3.16Å; T1256-Q1260 PolarHBondContact O-NE2 2.93Å |
| 1257 | D | 78.1 | Confident | 71.4 | Confident | 69.8 Ų | 69.8 | 52.7 Ų | 52.7 | 37% | 0.373 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 178.2 | -64.3 | -15.3 | 0 | 0 | 0 | 110.4 | S1253 A1254 Q1260 V1261 | S1253-D1257 WeakPolarHBondContact O-CB 3.32Å; S1253-D1257 PolarHBondContact O-N 3.17Å; S1253-D1257 VanDerWaalsContact O-OD2 3.06Å; S1253-D1257 PolarHBondContact OG-OD2 2.99Å; A1254-D1257 PolarHBondContact O-N 3.34Å; D1257-Q1260 PolarHBondContact O-N 3.12Å; D1257-V1261 WeakPolarHBondContact O-CG2 3.43Å; D1257-V1261 PolarHBondContact O-N 3.2Å |
| 1258 | Y | 83.6 | Confident | 69.3 | Low | 2.2 Ų | 2.2 | 56.9 Ų | 56.9 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 171.7 | 177.5 | -87.7 | 0 | 0 | 0 | 111.8 | A1254 I1255 T1256 Q1260 V1261 F1262 F1285 L1317 H1320 N1443 I1446 | A1254-Y1258 VanDerWaalsContact O-CB 3.32Å; A1254-Y1258 WeakPolarHBondContact O-CB 3.35Å; A1254-Y1258 PolarHBondContact O-N 3.14Å; I1255-Y1258 PolarHBondContact O-N 3.24Å; T1256-Y1258 VanDerWaalsContact C-N 3.32Å; T1256-Y1258 PolarHBondContact O-N 3.07Å; Y1258-Q1260 VanDerWaalsContact C-N 3.34Å; Y1258-Q1260 PolarHBondContact O-N 3.19Å; Y1258-V1261 PolarHBondContact O-N 3.12Å; Y1258-V1261 VanDerWaalsContact O-N 3.16Å; Y1258-F1262 HydrophobicContact CD1-CD2 4.26Å; Y1258-F1262 AromaticContact CD2-CD2 3.6Å; Y1258-F1262 HydrophobicContact CD2-CD2 3.72Å; Y1258-F1262 AromaticContact CD2-CE2 3.94Å; Y1258-F1262 HydrophobicContact CD2-CE2 4.07Å; Y1258-F1262 HydrophobicContact CE1-CB 4.07Å; Y1258-F1262 HydrophobicContact CE1-CD2 4.34Å; Y1258-F1262 HydrophobicContact CE2-CB 4.33Å; Y1258-F1262 AromaticContact CE2-CD2 3.45Å; Y1258-F1262 HydrophobicContact CE2-CD2 3.57Å; Y1258-F1262 VanDerWaalsContact CE2-CD2 3.45Å; Y1258-F1262 AromaticContact CE2-CE2 3.76Å; Y1258-F1262 HydrophobicContact CE2-CE2 3.96Å; Y1258-F1262 HydrophobicContact CE2-CG 4.19Å; Y1258-F1262 HydrophobicContact CG-CD2 4.2Å; Y1258-F1262 HydrophobicContact CG-CE2 4.44Å; Y1258-F1262 AromaticContact CZ-CD2 3.9Å; Y1258-F1262 WeakPolarHBondContact O-CD2 3.43Å; Y1258-F1262 PolarHBondContact O-N 3.12Å; Y1258-F1285 AromaticContact CE1-CE2 3.7Å; Y1258-F1285 HydrophobicContact CE1-CE2 3.7Å; Y1258-F1285 HydrophobicContact CE1-CZ 4.16Å; Y1258-F1285 AromaticContact CZ-CE2 3.88Å; Y1258-F1285 AromaticContact CZ-CZ 3.85Å; Y1258-F1285 VanDerWaalsContact OH-CZ 3.26Å; Y1258-F1285 WeakPolarHBondContact OH-CZ 3.27Å; Y1258-L1317 HydrophobicContact CE2-CD1 3.9Å; Y1258-H1320 HydrophobicContact CD2-CB 4.14Å; Y1258-N1443 VanDerWaalsContact CE1-OD1 3.25Å; Y1258-N1443 WeakPolarHBondContact CE1-OD1 3.26Å; Y1258-N1443 PolarHBondContact OH-OD1 3.16Å; Y1258-I1446 HydrophobicContact CD1-CD1 3.9Å; Y1258-I1446 HydrophobicContact CD1-CG2 3.97Å; Y1258-I1446 HydrophobicContact CD2-CD1 4.06Å; Y1258-I1446 HydrophobicContact CE1-CB 4.48Å; Y1258-I1446 HydrophobicContact CE1-CD1 3.43Å; Y1258-I1446 VanDerWaalsContact CE1-CD1 3.41Å; Y1258-I1446 HydrophobicContact CE1-CG2 4.29Å; Y1258-I1446 HydrophobicContact CE2-CD1 3.59Å; Y1258-I1446 HydrophobicContact CG-CD1 4.21Å |
| 1259 | N | 79.8 | Confident | 67 | Low | 37.6 Ų | 37.6 | 63.9 Ų | 63.9 | 20% | 0.201 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.6 | -33.3 | -178.6 | -76.9 | -22.9 | 0 | 0 | 0 | 112.5 | I1255 T1256 V1261 F1262 A1263 N1443 N1447 | I1255-N1259 VanDerWaalsContact O-CB 3.3Å; I1255-N1259 WeakPolarHBondContact O-CB 3.3Å; I1255-N1259 VanDerWaalsContact O-CG 3.28Å; I1255-N1259 PolarHBondContact O-N 3.09Å; I1255-N1259 PolarHBondContact O-ND2 3.06Å; T1256-N1259 PolarHBondContact O-N 3.01Å; N1259-V1261 PolarHBondContact O-N 3.28Å; N1259-F1262 PolarHBondContact O-N 3.13Å; N1259-A1263 HydrophobicContact CB-CB 3.9Å; N1259-A1263 WeakPolarHBondContact O-CA 3.39Å; N1259-A1263 VanDerWaalsContact O-CB 3.26Å; N1259-A1263 WeakPolarHBondContact O-CB 3.41Å; N1259-A1263 PolarHBondContact O-N 3.24Å; N1259-N1443 PolarHBondContact OD1-OD1 2.91Å; N1259-N1447 PolarHBondContact ND2-OD1 3.05Å; N1259-N1447 PolarHBondContact OD1-ND2 3.07Å |
| 1260 | Q | 75.1 | Confident | 64.6 | Low | 151.6 Ų | 151.6 | 68.5 Ų | 68.5 | 71% | 0.708 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.3 | -32.8 | 174.6 | -79.2 | 176 | 27 | 0 | 0 | 112.4 | T1256 D1257 Y1258 F1262 A1263 | T1256-Q1260 WeakPolarHBondContact O-CB 3.41Å; T1256-Q1260 VanDerWaalsContact O-CG 3.28Å; T1256-Q1260 WeakPolarHBondContact O-CG 3.35Å; T1256-Q1260 PolarHBondContact O-N 3.16Å; T1256-Q1260 PolarHBondContact O-NE2 2.93Å; D1257-Q1260 PolarHBondContact O-N 3.12Å; Y1258-Q1260 VanDerWaalsContact C-N 3.34Å; Y1258-Q1260 PolarHBondContact O-N 3.19Å; Q1260-F1262 PolarHBondContact O-N 3.49Å; Q1260-A1263 WeakPolarHBondContact O-CB 3.34Å; Q1260-A1263 PolarHBondContact O-N 2.95Å |
| 1261 | V | 72.8 | Confident | 62.2 | Low | 37.8 Ų | 37.8 | 74.3 Ų | 74.3 | 23% | 0.229 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -86.1 | -36.1 | -179.9 | 179.2 | 0 | 0 | 0 | 0 | 112 | D1257 Y1258 N1259 R1291 E1316 | D1257-V1261 WeakPolarHBondContact O-CG2 3.43Å; D1257-V1261 PolarHBondContact O-N 3.2Å; Y1258-V1261 PolarHBondContact O-N 3.12Å; Y1258-V1261 VanDerWaalsContact O-N 3.16Å; N1259-V1261 PolarHBondContact O-N 3.28Å; V1261-R1291 PolarHBondContact O-NH2 2.88Å; V1261-E1316 HydrophobicContact CG1-CG 4.13Å; V1261-E1316 VanDerWaalsContact CG1-OE1 3.27Å; V1261-E1316 WeakPolarHBondContact CG1-OE1 3.29Å |
| 1262 | F | 70.3 | Confident | 59.5 | Low | 4.8 Ų | 4.8 | 82.5 Ų | 82.5 | 2% | 0.021 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -118 | 2.4 | -169.7 | -59.1 | -65.9 | 0 | 0 | 0 | 115.9 | Y1258 N1259 Q1260 F1285 P1287 L1288 L1317 H1320 N1443 | Y1258-F1262 HydrophobicContact CD1-CD2 4.26Å; Y1258-F1262 AromaticContact CD2-CD2 3.6Å; Y1258-F1262 HydrophobicContact CD2-CD2 3.72Å; Y1258-F1262 AromaticContact CD2-CE2 3.94Å; Y1258-F1262 HydrophobicContact CD2-CE2 4.07Å; Y1258-F1262 HydrophobicContact CE1-CB 4.07Å; Y1258-F1262 HydrophobicContact CE1-CD2 4.34Å; Y1258-F1262 HydrophobicContact CE2-CB 4.33Å; Y1258-F1262 AromaticContact CE2-CD2 3.45Å; Y1258-F1262 HydrophobicContact CE2-CD2 3.57Å; Y1258-F1262 VanDerWaalsContact CE2-CD2 3.45Å; Y1258-F1262 AromaticContact CE2-CE2 3.76Å; Y1258-F1262 HydrophobicContact CE2-CE2 3.96Å; Y1258-F1262 HydrophobicContact CE2-CG 4.19Å; Y1258-F1262 HydrophobicContact CG-CD2 4.2Å; Y1258-F1262 HydrophobicContact CG-CE2 4.44Å; Y1258-F1262 AromaticContact CZ-CD2 3.9Å; Y1258-F1262 WeakPolarHBondContact O-CD2 3.43Å; Y1258-F1262 PolarHBondContact O-N 3.12Å; N1259-F1262 PolarHBondContact O-N 3.13Å; Q1260-F1262 PolarHBondContact O-N 3.49Å; F1262-F1285 HydrophobicContact CB-CD2 4.05Å; F1262-F1285 HydrophobicContact CB-CE2 3.38Å; F1262-F1285 HydrophobicContact CB-CZ 3.68Å; F1262-F1285 HydrophobicContact CD1-CE1 4.27Å; F1262-F1285 HydrophobicContact CD1-CE2 4.41Å; F1262-F1285 AromaticContact CD1-CZ 3.8Å; F1262-F1285 HydrophobicContact CD1-CZ 3.8Å; F1262-F1285 AromaticContact CD2-CE2 3.69Å; F1262-F1285 HydrophobicContact CD2-CE2 3.69Å; F1262-F1285 AromaticContact CD2-CZ 3.44Å; F1262-F1285 HydrophobicContact CD2-CZ 3.44Å; F1262-F1285 VanDerWaalsContact CD2-CZ 3.44Å; F1262-F1285 HydrophobicContact CE1-CZ 4.34Å; F1262-F1285 HydrophobicContact CE2-CZ 4.04Å; F1262-F1285 HydrophobicContact CG-CE1 4.2Å; F1262-F1285 AromaticContact CG-CE2 3.56Å; F1262-F1285 HydrophobicContact CG-CE2 3.56Å; F1262-F1285 AromaticContact CG-CZ 3.33Å; F1262-F1285 HydrophobicContact CG-CZ 3.33Å; F1262-F1285 HydrophobicContact CZ-CZ 4.46Å; F1262-P1287 VanDerWaalsContact C-CG 3.47Å; F1262-P1287 HydrophobicContact CB-CG 4.32Å; F1262-P1287 WeakPolarHBondContact O-CD 3.19Å; F1262-P1287 WeakPolarHBondContact O-CG 3.41Å; F1262-L1288 HydrophobicContact CD1-CB 4.09Å; F1262-L1288 HydrophobicContact CD1-CD1 4.07Å; F1262-L1288 HydrophobicContact CE1-CB 4.41Å; F1262-L1288 HydrophobicContact CE1-CD1 3.74Å; F1262-L1288 HydrophobicContact CE1-CG 4.49Å; F1262-L1288 HydrophobicContact CZ-CD1 4.45Å; F1262-L1317 HydrophobicContact CD2-CD1 4.32Å; F1262-L1317 HydrophobicContact CE1-CD1 4.43Å; F1262-L1317 HydrophobicContact CE2-CD1 3.97Å; F1262-L1317 HydrophobicContact CZ-CB 4.17Å; F1262-L1317 HydrophobicContact CZ-CD1 3.98Å; F1262-H1320 HydrophobicContact CE2-CB 4.32Å; F1262-N1443 PolarHBondContact O-ND2 3.4Å; F1262-N1443 VanDerWaalsContact O-ND2 3.16Å |
| 1263 | A | 59.5 | Low | 57.1 | Low | 37.6 Ų | 37.6 | 87.7 Ų | 87.7 | 31% | 0.311 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -84.8 | 145.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1259 Q1260 L1265 | N1259-A1263 HydrophobicContact CB-CB 3.9Å; N1259-A1263 WeakPolarHBondContact O-CA 3.39Å; N1259-A1263 VanDerWaalsContact O-CB 3.26Å; N1259-A1263 WeakPolarHBondContact O-CB 3.41Å; N1259-A1263 PolarHBondContact O-N 3.24Å; Q1260-A1263 WeakPolarHBondContact O-CB 3.34Å; Q1260-A1263 PolarHBondContact O-N 2.95Å; A1263-L1265 PolarHBondContact O-N 3.18Å |
| 1264 | L | 50.9 | Low | 54.9 | Low | 97.8 Ų | 97.8 | 88.8 Ų | 88.8 | 51% | 0.512 | 48% | 0.475 | S | S | . | . | trans | -64.6 | 124 | 165.4 | -88.1 | 149.8 | 0 | 0 | 0 | 108.3 | D1266 P1286 | L1264-D1266 PolarHBondContact O-N 3.23Å; L1264-D1266 VanDerWaalsContact O-N 3.13Å; L1264-P1286 HydrophobicContact CD1-CG 4.45Å | ||
| 1265 | L | 39 | Very low | 52.7 | Low | 149.6 Ų | 149.6 | 95.7 Ų | 95.7 | 78% | 0.783 | 51% | 0.51 | S | S | * | . | trans | -65.7 | 100.6 | 174 | -119.3 | 89.6 | 0 | 0 | 0 | 108.7 | A1263 D1267 | A1263-L1265 PolarHBondContact O-N 3.18Å; L1265-D1267 VanDerWaalsContact C-N 3.25Å; L1265-D1267 PolarHBondContact O-N 3.12Å | ||
| 1266 | D | 38.8 | Very low | 50.5 | Low | 152 Ų | 152 | 101.6 Ų | 101.6 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | trans | -68.8 | 72.5 | 177.1 | -88.4 | -26.7 | 0 | 0 | 0 | 110.6 | L1264 S1268 | L1264-D1266 PolarHBondContact O-N 3.23Å; L1264-D1266 VanDerWaalsContact O-N 3.13Å; D1266-S1268 VanDerWaalsContact C-N 3.26Å; D1266-S1268 PolarHBondContact O-N 3.2Å; D1266-S1268 PolarHBondContact O-OG 3.21Å | ||
| 1267 | D | 31.9 | Very low | 48.5 | Very low | 110 Ų | 110 | 105.1 Ų | 105.1 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | trans | -83.1 | 55.3 | 171.8 | -98.8 | -23.8 | 0 | 0 | 0 | 110.9 | L1265 N1269 K1284 | L1265-D1267 VanDerWaalsContact C-N 3.25Å; L1265-D1267 PolarHBondContact O-N 3.12Å; D1267-N1269 PolarHBondContact O-N 3.07Å; D1267-N1269 VanDerWaalsContact O-N 3.15Å; D1267-K1284 IonicContact OD2-NZ 3.92Å | ||
| 1268 | S | 35.7 | Very low | 46.4 | Very low | 91.8 Ų | 91.8 | 107.8 Ų | 107.8 | 64% | 0.642 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -2.8 | 178.8 | 55.1 | 0 | 0 | 0 | 0 | 114 | D1266 | D1266-S1268 VanDerWaalsContact C-N 3.26Å; D1266-S1268 PolarHBondContact O-N 3.2Å; D1266-S1268 PolarHBondContact O-OG 3.21Å |
| 1269 | N | 33 | Very low | 44.1 | Very low | 149.6 Ų | 149.6 | 114.5 Ų | 114.5 | 80% | 0.8 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 3.8 | -171 | -81.7 | -27.4 | 0 | 0 | 0 | 116.7 | D1267 | D1267-N1269 PolarHBondContact O-N 3.07Å; D1267-N1269 VanDerWaalsContact O-N 3.15Å |
| 1270 | N | 30.1 | Very low | 42.2 | Very low | 138.6 Ų | 138.6 | 118.8 Ų | 118.8 | 74% | 0.741 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -125.5 | 24.5 | -179.4 | -93.7 | -29.4 | 0 | 0 | 0 | 115.5 | M1272 | N1270-M1272 VanDerWaalsContact C-N 3.32Å; N1270-M1272 PolarHBondContact O-N 3.43Å |
| 1271 | Y | 30.6 | Very low | 40.4 | Very low | 185 Ų | 185 | 116.4 Ų | 116.4 | 73% | 0.725 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 92.3 | 170 | -87.8 | -88.7 | 0 | 0 | 0 | 111.2 | H1283 | Y1271-H1283 AromaticContact CE1-CE1 3.93Å; Y1271-H1283 AromaticContact CE1-NE2 3.31Å; Y1271-H1283 VanDerWaalsContact CE1-NE2 3.31Å; Y1271-H1283 WeakPolarHBondContact CE1-NE2 3.47Å; Y1271-H1283 AromaticContact CZ-CE1 3.51Å; Y1271-H1283 AromaticContact CZ-NE2 3.4Å; Y1271-H1283 PolarHBondContact OH-CE1 3.16Å; Y1271-H1283 PolarHBondContact OH-NE2 3.39Å |
| 1272 | M | 29.1 | Very low | 38.7 | Very low | 173.2 Ų | 173.2 | 121.9 Ų | 121.9 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.2 | 15.8 | 155.4 | -91.8 | -58 | 173.4 | 0 | 0 | 115.9 | N1270 | N1270-M1272 VanDerWaalsContact C-N 3.32Å; N1270-M1272 PolarHBondContact O-N 3.43Å |
| 1273 | N | 32.7 | Very low | 37.1 | Very low | 152.8 Ų | 152.8 | 127.7 Ų | 127.7 | 82% | 0.817 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -146 | 102 | 172.9 | -93.5 | -33.4 | 0 | 0 | 0 | 115.6 | ||
| 1274 | S | 33.3 | Very low | 36.5 | Very low | 76.2 Ų | 76.2 | 133 Ų | 133 | 53% | 0.533 | 67% | 0.67 | S | S | . | * | trans | 130.7 | 121.4 | 157.8 | 74.8 | 0 | 0 | 0 | 0 | 116.2 | N1276 E1279 | S1274-N1276 PolarHBondContact O-N 3.31Å; S1274-N1276 VanDerWaalsContact O-N 3.09Å; S1274-E1279 WeakPolarHBondContact CB-OE2 3.29Å; S1274-E1279 PolarHBondContact OG-OE2 2.99Å | ||
| 1275 | N | 38.5 | Very low | 36.5 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 21.7 | -168.3 | -71.4 | -15.4 | 0 | 0 | 0 | 116 | ||
| 1276 | N | 37.8 | Very low | 37.7 | Very low | 124.4 Ų | 124.4 | 123.3 Ų | 123.3 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 21.8 | -178.6 | -74.9 | -20.8 | 0 | 0 | 0 | 113.8 | S1274 L1278 E1279 | S1274-N1276 PolarHBondContact O-N 3.31Å; S1274-N1276 VanDerWaalsContact O-N 3.09Å; N1276-L1278 PolarHBondContact O-N 2.99Å; N1276-E1279 HydrophobicContact CB-CG 4.44Å; N1276-E1279 PolarHBondContact O-N 2.88Å |
| 1277 | Q | 37 | Very low | 39.1 | Very low | 113.6 Ų | 113.6 | 117.6 Ų | 117.6 | 53% | 0.531 | 59% | 0.59 | S | S | . | * | trans | -82.9 | -15.3 | -178.3 | -73.6 | -173.4 | -8.6 | 0 | 0 | 115.1 | E1279 Q1280 I1281 | Q1277-E1279 VanDerWaalsContact C-N 3.25Å; Q1277-E1279 PolarHBondContact O-N 3.14Å; Q1277-Q1280 CarbonylContact O-C 3.58Å; Q1277-Q1280 WeakPolarHBondContact O-CA 3.41Å; Q1277-Q1280 PolarHBondContact O-N 3.4Å; Q1277-I1281 HydrophobicContact CB-CD1 4.45Å; Q1277-I1281 VanDerWaalsContact O-CG1 3.27Å; Q1277-I1281 WeakPolarHBondContact O-CG1 3.27Å; Q1277-I1281 PolarHBondContact O-N 2.85Å | ||
| 1278 | L | 34.9 | Very low | 40.9 | Very low | 126.4 Ų | 126.4 | 112.7 Ų | 112.7 | 66% | 0.662 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.5 | -37.1 | 177.7 | -87.5 | 164.2 | 0 | 0 | 0 | 112.4 | N1276 Q1280 I1281 W1282 | N1276-L1278 PolarHBondContact O-N 2.99Å; L1278-Q1280 VanDerWaalsContact C-N 3.27Å; L1278-Q1280 PolarHBondContact O-N 3.24Å; L1278-I1281 HydrophobicContact CD2-CD1 4.35Å; L1278-I1281 PolarHBondContact O-N 3.19Å; L1278-W1282 PolarHBondContact O-N 2.79Å; L1278-W1282 PolarHBondContact O-NE1 2.74Å |
| 1279 | E | 35.8 | Very low | 42.5 | Very low | 142.2 Ų | 142.2 | 108.6 Ų | 108.6 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.8 | -25.1 | 173.9 | -71.8 | -176.1 | 157.7 | 0 | 0 | 113.2 | S1274 N1276 Q1277 I1281 W1282 H1283 | S1274-E1279 WeakPolarHBondContact CB-OE2 3.29Å; S1274-E1279 PolarHBondContact OG-OE2 2.99Å; N1276-E1279 HydrophobicContact CB-CG 4.44Å; N1276-E1279 PolarHBondContact O-N 2.88Å; Q1277-E1279 VanDerWaalsContact C-N 3.25Å; Q1277-E1279 PolarHBondContact O-N 3.14Å; E1279-I1281 VanDerWaalsContact C-N 3.28Å; E1279-I1281 PolarHBondContact O-N 2.97Å; E1279-W1282 PolarHBondContact O-N 2.66Å; E1279-W1282 VanDerWaalsContact O-N 3.11Å; E1279-H1283 PolarHBondContact O-CD2 2.99Å; E1279-H1283 VanDerWaalsContact O-CD2 3.25Å; E1279-H1283 PolarHBondContact O-N 3.13Å; E1279-H1283 VanDerWaalsContact O-N 3.09Å |
| 1280 | Q | 40 | Very low | 44.3 | Very low | 128.2 Ų | 128.2 | 105.8 Ų | 105.8 | 60% | 0.599 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -81.4 | -21.2 | 177.4 | -71.2 | -176.6 | -3.3 | 0 | 0 | 113.7 | Q1277 L1278 W1282 H1283 | Q1277-Q1280 CarbonylContact O-C 3.58Å; Q1277-Q1280 WeakPolarHBondContact O-CA 3.41Å; Q1277-Q1280 PolarHBondContact O-N 3.4Å; L1278-Q1280 VanDerWaalsContact C-N 3.27Å; L1278-Q1280 PolarHBondContact O-N 3.24Å; Q1280-W1282 VanDerWaalsContact C-N 3.35Å; Q1280-W1282 PolarHBondContact O-N 2.89Å; Q1280-H1283 PolarHBondContact O-N 2.93Å |
| 1281 | I | 37.3 | Very low | 46.2 | Very low | 100.4 Ų | 100.4 | 103.5 Ų | 103.5 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.6 | -30.5 | 177.8 | -68.2 | 164.6 | 0 | 0 | 0 | 111.2 | Q1277 L1278 E1279 H1283 K1284 | Q1277-I1281 HydrophobicContact CB-CD1 4.45Å; Q1277-I1281 VanDerWaalsContact O-CG1 3.27Å; Q1277-I1281 WeakPolarHBondContact O-CG1 3.27Å; Q1277-I1281 PolarHBondContact O-N 2.85Å; L1278-I1281 HydrophobicContact CD2-CD1 4.35Å; L1278-I1281 PolarHBondContact O-N 3.19Å; E1279-I1281 VanDerWaalsContact C-N 3.28Å; E1279-I1281 PolarHBondContact O-N 2.97Å; I1281-H1283 PolarHBondContact O-N 3.14Å; I1281-H1283 VanDerWaalsContact O-N 3.16Å; I1281-K1284 PolarHBondContact O-N 3.22Å |
| 1282 | W | 36.6 | Very low | 48.2 | Very low | 154.2 Ų | 154.2 | 95 Ų | 95 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -4.7 | 179.5 | -60.5 | 98.7 | 0 | 0 | 0 | 113.2 | L1278 E1279 Q1280 K1284 F1285 D1429 L1432 | L1278-W1282 PolarHBondContact O-N 2.79Å; L1278-W1282 PolarHBondContact O-NE1 2.74Å; E1279-W1282 PolarHBondContact O-N 2.66Å; E1279-W1282 VanDerWaalsContact O-N 3.11Å; Q1280-W1282 VanDerWaalsContact C-N 3.35Å; Q1280-W1282 PolarHBondContact O-N 2.89Å; W1282-K1284 PolarHBondContact O-N 3.32Å; W1282-K1284 VanDerWaalsContact O-N 3.09Å; W1282-F1285 HydrophobicContact CE3-CD2 4.21Å; W1282-F1285 AromaticContact CE3-CE2 3.62Å; W1282-F1285 HydrophobicContact CE3-CE2 3.62Å; W1282-F1285 HydrophobicContact CZ3-CE2 4.09Å; W1282-F1285 WeakPolarHBondContact O-CD2 3.43Å; W1282-F1285 PolarHBondContact O-N 3.45Å; W1282-D1429 WeakPolarHBondContact CH2-OD1 3.49Å; W1282-L1432 HydrophobicContact CE3-CD2 3.95Å; W1282-L1432 HydrophobicContact CZ3-CD2 3.44Å; W1282-L1432 VanDerWaalsContact CZ3-CD2 3.44Å |
| 1283 | H | 36.7 | Very low | 50.1 | Low | 126.2 Ų | 126.2 | 90.8 Ų | 90.8 | 58% | 0.584 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 17.9 | -174.7 | -63.4 | -54.1 | 0 | 0 | 0 | 115.2 | Y1271 E1279 Q1280 I1281 F1285 | Y1271-H1283 AromaticContact CE1-CE1 3.93Å; Y1271-H1283 AromaticContact CE1-NE2 3.31Å; Y1271-H1283 VanDerWaalsContact CE1-NE2 3.31Å; Y1271-H1283 WeakPolarHBondContact CE1-NE2 3.47Å; Y1271-H1283 AromaticContact CZ-CE1 3.51Å; Y1271-H1283 AromaticContact CZ-NE2 3.4Å; Y1271-H1283 PolarHBondContact OH-CE1 3.16Å; Y1271-H1283 PolarHBondContact OH-NE2 3.39Å; E1279-H1283 PolarHBondContact O-CD2 2.99Å; E1279-H1283 VanDerWaalsContact O-CD2 3.25Å; E1279-H1283 PolarHBondContact O-N 3.13Å; E1279-H1283 VanDerWaalsContact O-N 3.09Å; Q1280-H1283 PolarHBondContact O-N 2.93Å; I1281-H1283 PolarHBondContact O-N 3.14Å; I1281-H1283 VanDerWaalsContact O-N 3.16Å; H1283-F1285 PolarHBondContact O-N 3.25Å |
| 1284 | K | 46.1 | Very low | 51.8 | Low | 147.8 Ų | 147.8 | 87.8 Ų | 87.8 | 64% | 0.643 | 42% | 0.423 | S | S | * | . | trans | -101.4 | 89.5 | 167.7 | -78.3 | 179.4 | -179.1 | -179.9 | 0 | 110.9 | D1267 I1281 W1282 P1286 | D1267-K1284 IonicContact OD2-NZ 3.92Å; I1281-K1284 PolarHBondContact O-N 3.22Å; W1282-K1284 PolarHBondContact O-N 3.32Å; W1282-K1284 VanDerWaalsContact O-N 3.09Å; K1284-P1286 HydrophobicContact CB-CG 4.28Å; K1284-P1286 HydrophobicContact CG-CG 4.19Å | ||
| 1285 | F | 52.4 | Low | 53.4 | Low | 31.4 Ų | 31.4 | 84.6 Ų | 84.6 | 14% | 0.138 | 40% | 0.4 | C | S | . | . | trans | -80.3 | 135.5 | 173.3 | -84.9 | -81.1 | 0 | 0 | 0 | 112.5 | Y1258 F1262 W1282 H1283 L1288 I1289 L1432 | Y1258-F1285 AromaticContact CE1-CE2 3.7Å; Y1258-F1285 HydrophobicContact CE1-CE2 3.7Å; Y1258-F1285 HydrophobicContact CE1-CZ 4.16Å; Y1258-F1285 AromaticContact CZ-CE2 3.88Å; Y1258-F1285 AromaticContact CZ-CZ 3.85Å; Y1258-F1285 VanDerWaalsContact OH-CZ 3.26Å; Y1258-F1285 WeakPolarHBondContact OH-CZ 3.27Å; F1262-F1285 HydrophobicContact CB-CD2 4.05Å; F1262-F1285 HydrophobicContact CB-CE2 3.38Å; F1262-F1285 HydrophobicContact CB-CZ 3.68Å; F1262-F1285 HydrophobicContact CD1-CE1 4.27Å; F1262-F1285 HydrophobicContact CD1-CE2 4.41Å; F1262-F1285 AromaticContact CD1-CZ 3.8Å; F1262-F1285 HydrophobicContact CD1-CZ 3.8Å; F1262-F1285 AromaticContact CD2-CE2 3.69Å; F1262-F1285 HydrophobicContact CD2-CE2 3.69Å; F1262-F1285 AromaticContact CD2-CZ 3.44Å; F1262-F1285 HydrophobicContact CD2-CZ 3.44Å; F1262-F1285 VanDerWaalsContact CD2-CZ 3.44Å; F1262-F1285 HydrophobicContact CE1-CZ 4.34Å; F1262-F1285 HydrophobicContact CE2-CZ 4.04Å; F1262-F1285 HydrophobicContact CG-CE1 4.2Å; F1262-F1285 AromaticContact CG-CE2 3.56Å; F1262-F1285 HydrophobicContact CG-CE2 3.56Å; F1262-F1285 AromaticContact CG-CZ 3.33Å; F1262-F1285 HydrophobicContact CG-CZ 3.33Å; F1262-F1285 HydrophobicContact CZ-CZ 4.46Å; W1282-F1285 HydrophobicContact CE3-CD2 4.21Å; W1282-F1285 AromaticContact CE3-CE2 3.62Å; W1282-F1285 HydrophobicContact CE3-CE2 3.62Å; W1282-F1285 HydrophobicContact CZ3-CE2 4.09Å; W1282-F1285 WeakPolarHBondContact O-CD2 3.43Å; W1282-F1285 PolarHBondContact O-N 3.45Å; H1283-F1285 PolarHBondContact O-N 3.25Å; F1285-L1288 HydrophobicContact CD1-CB 4.11Å; F1285-L1288 HydrophobicContact CE1-CB 3.65Å; F1285-L1288 HydrophobicContact CE1-CD1 4.24Å; F1285-L1288 HydrophobicContact CE1-CG 4.44Å; F1285-I1289 HydrophobicContact CB-CB 4.2Å; F1285-I1289 HydrophobicContact CB-CG2 4.04Å; F1285-I1289 HydrophobicContact CD1-CD1 4.19Å; F1285-I1289 HydrophobicContact CD1-CG2 4.2Å; F1285-I1289 HydrophobicContact CG-CG2 4.19Å; F1285-L1432 HydrophobicContact CD1-CG 4.26Å; F1285-L1432 HydrophobicContact CD2-CD2 4.11Å; F1285-L1432 HydrophobicContact CE1-CB 4.46Å; F1285-L1432 HydrophobicContact CE1-CD2 4.08Å; F1285-L1432 HydrophobicContact CE1-CG 3.75Å; F1285-L1432 WeakPolarHBondContact CE1-O 3.19Å; F1285-L1432 HydrophobicContact CE2-CD2 3.5Å; F1285-L1432 VanDerWaalsContact CE2-CD2 3.46Å; F1285-L1432 HydrophobicContact CE2-CG 4.12Å; F1285-L1432 HydrophobicContact CZ-CB 4.42Å; F1285-L1432 HydrophobicContact CZ-CD2 3.49Å; F1285-L1432 VanDerWaalsContact CZ-CD2 3.45Å; F1285-L1432 HydrophobicContact CZ-CG 3.67Å | ||
| 1286 | P | 63.6 | Low | 54.5 | Low | 13.4 Ų | 13.4 | 79.1 Ų | 79.1 | 9% | 0.087 | 37% | 0.373 | C | S | . | . | trans | -51.1 | 145.2 | 171.9 | -29.7 | 36.7 | 0 | 0 | 0 | 113.2 | L1264 K1284 L1288 I1289 E1290 A1439 D1440 | L1264-P1286 HydrophobicContact CD1-CG 4.45Å; K1284-P1286 HydrophobicContact CB-CG 4.28Å; K1284-P1286 HydrophobicContact CG-CG 4.19Å; P1286-L1288 PolarHBondContact O-N 2.98Å; P1286-I1289 HydrophobicContact CB-CD1 4.43Å; P1286-I1289 HydrophobicContact CG-CD1 4.36Å; P1286-I1289 WeakPolarHBondContact O-CA 3.39Å; P1286-I1289 WeakPolarHBondContact O-CB 3.35Å; P1286-I1289 PolarHBondContact O-N 3.24Å; P1286-I1289 VanDerWaalsContact O-N 3.13Å; P1286-E1290 WeakPolarHBondContact O-CB 3.34Å; P1286-E1290 PolarHBondContact O-N 3.06Å; P1286-E1290 VanDerWaalsContact O-N 3.09Å; P1286-A1439 HydrophobicContact CB-CB 3.97Å; P1286-A1439 HydrophobicContact CG-CB 3.95Å; P1286-D1440 VanDerWaalsContact CG-OD1 3.24Å; P1286-D1440 WeakPolarHBondContact CG-OD1 3.39Å | ||
| 1287 | P | 67.4 | Low | 55.6 | Low | 31.4 Ų | 31.4 | 78.6 Ų | 78.6 | 20% | 0.204 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60 | -28 | -169.2 | 12.4 | -21.5 | 0 | 0 | 0 | 113.9 | F1262 I1289 E1290 R1291 | F1262-P1287 VanDerWaalsContact C-CG 3.47Å; F1262-P1287 HydrophobicContact CB-CG 4.32Å; F1262-P1287 WeakPolarHBondContact O-CD 3.19Å; F1262-P1287 WeakPolarHBondContact O-CG 3.41Å; P1287-I1289 VanDerWaalsContact C-N 3.32Å; P1287-I1289 PolarHBondContact O-N 3.22Å; P1287-E1290 PolarHBondContact O-N 3.11Å; P1287-R1291 VanDerWaalsContact O-CB 3.24Å; P1287-R1291 WeakPolarHBondContact O-CB 3.4Å; P1287-R1291 WeakPolarHBondContact O-CG 3.39Å; P1287-R1291 PolarHBondContact O-N 3.09Å |
| 1288 | L | 69.5 | Low | 56.6 | Low | 8 Ų | 8 | 78.7 Ų | 78.7 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 172.5 | -179.3 | 95.5 | 0 | 0 | 0 | 111.7 | F1262 F1285 P1286 R1291 I1292 I1313 L1317 L1414 | F1262-L1288 HydrophobicContact CD1-CB 4.09Å; F1262-L1288 HydrophobicContact CD1-CD1 4.07Å; F1262-L1288 HydrophobicContact CE1-CB 4.41Å; F1262-L1288 HydrophobicContact CE1-CD1 3.74Å; F1262-L1288 HydrophobicContact CE1-CG 4.49Å; F1262-L1288 HydrophobicContact CZ-CD1 4.45Å; F1285-L1288 HydrophobicContact CD1-CB 4.11Å; F1285-L1288 HydrophobicContact CE1-CB 3.65Å; F1285-L1288 HydrophobicContact CE1-CD1 4.24Å; F1285-L1288 HydrophobicContact CE1-CG 4.44Å; P1286-L1288 PolarHBondContact O-N 2.98Å; L1288-R1291 PolarHBondContact O-N 2.95Å; L1288-I1292 HydrophobicContact CD1-CD1 4.32Å; L1288-I1292 HydrophobicContact CD2-CD1 3.7Å; L1288-I1292 HydrophobicContact CG-CD1 4.18Å; L1288-I1292 WeakPolarHBondContact O-CB 3.2Å; L1288-I1292 WeakPolarHBondContact O-CD1 3.19Å; L1288-I1292 VanDerWaalsContact O-CG1 3.3Å; L1288-I1292 WeakPolarHBondContact O-CG1 3.29Å; L1288-I1292 PolarHBondContact O-N 3.2Å; L1288-I1292 VanDerWaalsContact O-N 3.13Å; L1288-I1313 HydrophobicContact CD1-CG2 3.91Å; L1288-I1313 HydrophobicContact CG-CG2 4.28Å; L1288-L1317 HydrophobicContact CD1-CB 4.27Å; L1288-L1317 HydrophobicContact CD1-CD1 3.92Å; L1288-L1317 HydrophobicContact CD1-CD2 4.18Å; L1288-L1317 HydrophobicContact CD1-CG 4.23Å; L1288-L1317 HydrophobicContact CD2-CD2 4.15Å; L1288-L1414 HydrophobicContact CD2-CD1 4.19Å; L1288-L1414 HydrophobicContact CD2-CD2 4.41Å |
| 1289 | I | 70.4 | Confident | 57.5 | Low | 4.6 Ų | 4.6 | 75.6 Ų | 75.6 | 2% | 0.024 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.6 | -39.9 | -179.4 | -63.4 | -172.4 | 0 | 0 | 0 | 110.1 | F1285 P1286 P1287 R1291 I1292 K1293 L1414 W1417 L1432 A1435 G1436 A1439 | F1285-I1289 HydrophobicContact CB-CB 4.2Å; F1285-I1289 HydrophobicContact CB-CG2 4.04Å; F1285-I1289 HydrophobicContact CD1-CD1 4.19Å; F1285-I1289 HydrophobicContact CD1-CG2 4.2Å; F1285-I1289 HydrophobicContact CG-CG2 4.19Å; P1286-I1289 HydrophobicContact CB-CD1 4.43Å; P1286-I1289 HydrophobicContact CG-CD1 4.36Å; P1286-I1289 WeakPolarHBondContact O-CA 3.39Å; P1286-I1289 WeakPolarHBondContact O-CB 3.35Å; P1286-I1289 PolarHBondContact O-N 3.24Å; P1286-I1289 VanDerWaalsContact O-N 3.13Å; P1287-I1289 VanDerWaalsContact C-N 3.32Å; P1287-I1289 PolarHBondContact O-N 3.22Å; I1289-R1291 VanDerWaalsContact C-N 3.33Å; I1289-R1291 PolarHBondContact O-N 3.4Å; I1289-I1292 PolarHBondContact O-N 3.32Å; I1289-K1293 VanDerWaalsContact O-CB 3.32Å; I1289-K1293 WeakPolarHBondContact O-CB 3.35Å; I1289-K1293 PolarHBondContact O-N 3.16Å; I1289-L1414 HydrophobicContact CD1-CD2 3.96Å; I1289-W1417 HydrophobicContact CD1-CE3 4.2Å; I1289-W1417 HydrophobicContact CD1-CH2 3.94Å; I1289-W1417 HydrophobicContact CD1-CZ3 3.59Å; I1289-W1417 HydrophobicContact CG2-CH2 4.21Å; I1289-L1432 HydrophobicContact CG2-CD1 3.41Å; I1289-L1432 VanDerWaalsContact CG2-CD1 3.43Å; I1289-L1432 HydrophobicContact CG2-CG 4.27Å; I1289-A1435 VanDerWaalsContact CD1-C 3.43Å; I1289-A1435 HydrophobicContact CD1-CB 4.07Å; I1289-A1435 WeakPolarHBondContact CD1-O 3.36Å; I1289-G1436 VanDerWaalsContact CD1-N 3.3Å; I1289-A1439 HydrophobicContact CD1-CB 3.92Å; I1289-A1439 HydrophobicContact CG1-CB 4.16Å |
| 1290 | E | 70.3 | Confident | 58.3 | Low | 92.6 Ų | 92.6 | 77.7 Ų | 77.7 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.2 | -168.3 | 147.9 | -155.3 | 0 | 0 | 111.5 | P1286 P1287 I1292 K1293 Q1294 | P1286-E1290 WeakPolarHBondContact O-CB 3.34Å; P1286-E1290 PolarHBondContact O-N 3.06Å; P1286-E1290 VanDerWaalsContact O-N 3.09Å; P1287-E1290 PolarHBondContact O-N 3.11Å; E1290-I1292 VanDerWaalsContact C-N 3.34Å; E1290-I1292 PolarHBondContact O-N 3.24Å; E1290-K1293 WeakPolarHBondContact O-CB 3.43Å; E1290-K1293 PolarHBondContact O-N 3Å; E1290-Q1294 WeakPolarHBondContact O-CB 3.35Å; E1290-Q1294 VanDerWaalsContact O-CG 3.26Å; E1290-Q1294 WeakPolarHBondContact O-CG 3.3Å; E1290-Q1294 PolarHBondContact O-N 3.13Å |
| 1291 | R | 70.9 | Confident | 59.3 | Low | 89.8 Ų | 89.8 | 75.2 Ų | 75.2 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.7 | -127.7 | -179.7 | -147.5 | 177.2 | 2.5 | 111.4 | V1261 P1287 L1288 I1289 K1293 Q1294 T1295 I1313 E1316 | V1261-R1291 PolarHBondContact O-NH2 2.88Å; P1287-R1291 VanDerWaalsContact O-CB 3.24Å; P1287-R1291 WeakPolarHBondContact O-CB 3.4Å; P1287-R1291 WeakPolarHBondContact O-CG 3.39Å; P1287-R1291 PolarHBondContact O-N 3.09Å; L1288-R1291 PolarHBondContact O-N 2.95Å; I1289-R1291 VanDerWaalsContact C-N 3.33Å; I1289-R1291 PolarHBondContact O-N 3.4Å; R1291-K1293 VanDerWaalsContact C-N 3.34Å; R1291-K1293 PolarHBondContact O-N 3.35Å; R1291-Q1294 WeakPolarHBondContact O-CB 3.25Å; R1291-Q1294 PolarHBondContact O-N 3.24Å; R1291-T1295 WeakPolarHBondContact O-CG2 3.4Å; R1291-T1295 PolarHBondContact O-N 3Å; R1291-I1313 HydrophobicContact CB-CD1 4.17Å; R1291-I1313 HydrophobicContact CG-CD1 3.77Å; R1291-I1313 HydrophobicContact CG-CG1 4.26Å; R1291-E1316 IonicContact CZ-OE1 2.85Å; R1291-E1316 IonicContact CZ-OE2 3.04Å; R1291-E1316 VanDerWaalsContact CZ-OE2 3.31Å; R1291-E1316 VanDerWaalsContact NH1-CD 3.3Å; R1291-E1316 IonicContact NH1-OE1 3.16Å; R1291-E1316 PolarHBondContact NH1-OE1 3.19Å; R1291-E1316 IonicContact NH1-OE2 3.16Å; R1291-E1316 PolarHBondContact NH1-OE2 3.27Å; R1291-E1316 VanDerWaalsContact NH1-OE2 3.14Å; R1291-E1316 IonicContact NH2-OE1 2.85Å; R1291-E1316 IonicContact NH2-OE2 2.68Å; R1291-E1316 PolarHBondContact NH2-OE2 2.89Å |
| 1292 | I | 71.4 | Confident | 60.6 | Low | 6.4 Ų | 6.4 | 73.8 Ų | 73.8 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 176.2 | -67.3 | 165 | 0 | 0 | 0 | 110.9 | L1288 I1289 E1290 Q1294 T1295 R1310 I1313 W1417 A1418 | L1288-I1292 HydrophobicContact CD1-CD1 4.32Å; L1288-I1292 HydrophobicContact CD2-CD1 3.7Å; L1288-I1292 HydrophobicContact CG-CD1 4.18Å; L1288-I1292 WeakPolarHBondContact O-CB 3.2Å; L1288-I1292 WeakPolarHBondContact O-CD1 3.19Å; L1288-I1292 VanDerWaalsContact O-CG1 3.3Å; L1288-I1292 WeakPolarHBondContact O-CG1 3.29Å; L1288-I1292 PolarHBondContact O-N 3.2Å; L1288-I1292 VanDerWaalsContact O-N 3.13Å; I1289-I1292 PolarHBondContact O-N 3.32Å; E1290-I1292 VanDerWaalsContact C-N 3.34Å; E1290-I1292 PolarHBondContact O-N 3.24Å; I1292-Q1294 VanDerWaalsContact C-N 3.33Å; I1292-Q1294 PolarHBondContact O-N 3.24Å; I1292-T1295 WeakPolarHBondContact O-CB 3.34Å; I1292-T1295 PolarHBondContact O-N 3.17Å; I1292-T1295 VanDerWaalsContact O-N 3.13Å; I1292-T1295 PolarHBondContact O-OG1 3.32Å; I1292-R1310 HydrophobicContact CG2-CG 4.45Å; I1292-I1313 HydrophobicContact CD1-CG2 4.37Å; I1292-I1313 HydrophobicContact CG1-CD1 4.33Å; I1292-I1313 HydrophobicContact CG1-CG2 4.23Å; I1292-W1417 HydrophobicContact CB-CH2 4.4Å; I1292-W1417 HydrophobicContact CB-CZ3 4.14Å; I1292-W1417 HydrophobicContact CD1-CE3 4.46Å; I1292-W1417 HydrophobicContact CD1-CZ3 3.85Å; I1292-W1417 HydrophobicContact CG2-CH2 3.99Å; I1292-W1417 HydrophobicContact CG2-CZ3 3.69Å; I1292-A1418 HydrophobicContact CD1-CB 4.04Å |
| 1293 | K | 68.7 | Low | 61.9 | Low | 83.8 Ų | 83.8 | 70.4 Ų | 70.4 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 175.6 | -173.3 | 177 | -179.4 | 174.3 | 0 | 111.8 | I1289 E1290 R1291 T1295 C1296 L1432 | I1289-K1293 VanDerWaalsContact O-CB 3.32Å; I1289-K1293 WeakPolarHBondContact O-CB 3.35Å; I1289-K1293 PolarHBondContact O-N 3.16Å; E1290-K1293 WeakPolarHBondContact O-CB 3.43Å; E1290-K1293 PolarHBondContact O-N 3Å; R1291-K1293 VanDerWaalsContact C-N 3.34Å; R1291-K1293 PolarHBondContact O-N 3.35Å; K1293-T1295 VanDerWaalsContact C-N 3.29Å; K1293-T1295 PolarHBondContact O-N 3.22Å; K1293-C1296 VanDerWaalsContact O-CB 3.27Å; K1293-C1296 WeakPolarHBondContact O-CB 3.36Å; K1293-C1296 PolarHBondContact O-N 3.09Å; K1293-C1296 VanDerWaalsContact O-N 3.11Å; K1293-L1432 HydrophobicContact CD-CD2 4.27Å |
| 1294 | Q | 69.2 | Low | 63.3 | Low | 91.4 Ų | 91.4 | 70.7 Ų | 70.7 | 43% | 0.427 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -30.5 | 176 | -73.4 | 173.3 | 11.2 | 0 | 0 | 112.8 | E1290 R1291 I1292 C1296 N1297 N1298 | E1290-Q1294 WeakPolarHBondContact O-CB 3.35Å; E1290-Q1294 VanDerWaalsContact O-CG 3.26Å; E1290-Q1294 WeakPolarHBondContact O-CG 3.3Å; E1290-Q1294 PolarHBondContact O-N 3.13Å; R1291-Q1294 WeakPolarHBondContact O-CB 3.25Å; R1291-Q1294 PolarHBondContact O-N 3.24Å; I1292-Q1294 VanDerWaalsContact C-N 3.33Å; I1292-Q1294 PolarHBondContact O-N 3.24Å; Q1294-C1296 PolarHBondContact O-N 3.14Å; Q1294-N1297 PolarHBondContact O-N 3.22Å; Q1294-N1297 VanDerWaalsContact O-N 3.15Å; Q1294-N1298 WeakPolarHBondContact O-CB 3.26Å; Q1294-N1298 VanDerWaalsContact O-CG 3.27Å; Q1294-N1298 PolarHBondContact O-N 2.91Å; Q1294-N1298 VanDerWaalsContact O-N 3.12Å; Q1294-N1298 PolarHBondContact O-ND2 3.04Å |
| 1295 | T | 66.2 | Low | 64.3 | Low | 9.4 Ų | 9.4 | 69.7 Ų | 69.7 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.3 | -28 | 174.1 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | R1291 I1292 K1293 S1309 R1310 I1313 | R1291-T1295 WeakPolarHBondContact O-CG2 3.4Å; R1291-T1295 PolarHBondContact O-N 3Å; I1292-T1295 WeakPolarHBondContact O-CB 3.34Å; I1292-T1295 PolarHBondContact O-N 3.17Å; I1292-T1295 VanDerWaalsContact O-N 3.13Å; I1292-T1295 PolarHBondContact O-OG1 3.32Å; K1293-T1295 VanDerWaalsContact C-N 3.29Å; K1293-T1295 PolarHBondContact O-N 3.22Å; T1295-S1309 VanDerWaalsContact CB-OG 3.26Å; T1295-S1309 WeakPolarHBondContact CB-OG 3.37Å; T1295-S1309 VanDerWaalsContact CG2-OG 3.29Å; T1295-S1309 WeakPolarHBondContact CG2-OG 3.42Å; T1295-R1310 HydrophobicContact CG2-CG 4.1Å; T1295-R1310 VanDerWaalsContact OG1-CG 3.29Å; T1295-R1310 WeakPolarHBondContact OG1-CG 3.39Å; T1295-R1310 PolarHBondContact OG1-NE 3.1Å; T1295-R1310 VanDerWaalsContact OG1-NE 3.14Å; T1295-I1313 HydrophobicContact CG2-CD1 3.72Å |
| 1296 | C | 62.4 | Low | 65.1 | Low | 36.2 Ų | 36.2 | 69.4 Ų | 69.4 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.4 | -37.2 | 176.7 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | K1293 Q1294 R1310 | K1293-C1296 VanDerWaalsContact O-CB 3.27Å; K1293-C1296 WeakPolarHBondContact O-CB 3.36Å; K1293-C1296 PolarHBondContact O-N 3.09Å; K1293-C1296 VanDerWaalsContact O-N 3.11Å; Q1294-C1296 PolarHBondContact O-N 3.14Å; C1296-R1310 PolarHBondContact SG-NH2 3Å |
| 1297 | N | 61.2 | Low | 65.4 | Low | 113.4 Ų | 113.4 | 70 Ų | 70 | 61% | 0.606 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -81.6 | -36 | -176.2 | -63.4 | -10.1 | 0 | 0 | 0 | 112.4 | Q1294 H1299 | Q1294-N1297 PolarHBondContact O-N 3.22Å; Q1294-N1297 VanDerWaalsContact O-N 3.15Å; N1297-H1299 VanDerWaalsContact C-N 3.34Å; N1297-H1299 PolarHBondContact O-N 2.99Å |
| 1298 | N | 57.3 | Low | 65.6 | Low | 116.4 Ų | 116.4 | 71.8 Ų | 71.8 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -80.9 | -11.2 | -170.9 | -68.1 | -15.1 | 0 | 0 | 0 | 114.4 | Q1294 | Q1294-N1298 WeakPolarHBondContact O-CB 3.26Å; Q1294-N1298 VanDerWaalsContact O-CG 3.27Å; Q1294-N1298 PolarHBondContact O-N 2.91Å; Q1294-N1298 VanDerWaalsContact O-N 3.12Å; Q1294-N1298 PolarHBondContact O-ND2 3.04Å |
| 1299 | H | 53.9 | Low | 65.8 | Low | 61.4 Ų | 61.4 | 72.7 Ų | 72.7 | 28% | 0.284 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 37 | -170 | -66.1 | -44 | 0 | 0 | 0 | 113.7 | N1297 G1301 N1302 M1306 S1309 | N1297-H1299 VanDerWaalsContact C-N 3.34Å; N1297-H1299 PolarHBondContact O-N 2.99Å; H1299-G1301 PolarHBondContact O-N 3.28Å; H1299-G1301 VanDerWaalsContact O-N 3.09Å; H1299-N1302 PolarHBondContact O-N 3.06Å; H1299-N1302 VanDerWaalsContact O-N 3.1Å; H1299-M1306 HydrophobicContact CB-CB 3.98Å; H1299-S1309 PolarHBondContact NE2-OG 3.43Å |
| 1300 | E | 53.5 | Low | 66 | Low | 186.2 Ų | 186.2 | 73 Ų | 73 | 87% | 0.87 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 113.8 | 173.6 | -88.4 | -172.9 | 160 | 0 | 0 | 111.2 | N1302 | E1300-N1302 PolarHBondContact O-N 2.84Š|
| 1301 | G | 59.7 | Low | 66.4 | Low | 75 Ų | 75 | 69 Ų | 69 | 77% | 0.773 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | -6.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | H1299 | H1299-G1301 PolarHBondContact O-N 3.28Å; H1299-G1301 VanDerWaalsContact O-N 3.09Å |
| 1302 | N | 66.4 | Low | 66.7 | Low | 70.6 Ų | 70.6 | 68.4 Ų | 68.4 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | trans | -123 | 82.6 | 176.5 | -162 | -29.9 | 0 | 0 | 0 | 112.3 | H1299 E1300 K1304 K1305 M1306 | H1299-N1302 PolarHBondContact O-N 3.06Å; H1299-N1302 VanDerWaalsContact O-N 3.1Å; E1300-N1302 PolarHBondContact O-N 2.84Å; N1302-K1304 VanDerWaalsContact C-N 3.26Å; N1302-K1304 PolarHBondContact O-N 3.09Å; N1302-K1304 VanDerWaalsContact O-N 3.15Å; N1302-K1304 PolarHBondContact OD1-N 3.23Å; N1302-K1305 HydrophobicContact CB-CB 4.29Å; N1302-K1305 HydrophobicContact CB-CD 4.46Å; N1302-K1305 HydrophobicContact CB-CG 4.45Å; N1302-K1305 PolarHBondContact O-N 2.98Å; N1302-K1305 VanDerWaalsContact O-N 3.09Å; N1302-K1305 PolarHBondContact OD1-N 2.96Å; N1302-M1306 PolarHBondContact O-N 2.95Å; N1302-M1306 VanDerWaalsContact O-N 3.11Å | ||
| 1303 | M | 63.5 | Low | 67 | Low | 83.6 Ų | 83.6 | 68.7 Ų | 68.7 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -51.9 | -38.4 | -179.5 | -163.7 | 177.6 | -176.8 | 0 | 0 | 112.9 | K1305 M1306 M1307 N1422 | M1303-K1305 PolarHBondContact O-N 3.43Å; M1303-M1306 HydrophobicContact CG-CE 4.45Å; M1303-M1306 PolarHBondContact O-N 2.96Å; M1303-M1307 WeakPolarHBondContact O-CB 3.37Å; M1303-M1307 PolarHBondContact O-N 3.18Å; M1303-N1422 VanDerWaalsContact CE-C 3.47Å; M1303-N1422 HydrophobicContact CE-CB 3.63Å; M1303-N1422 VanDerWaalsContact CE-CB 3.47Å; M1303-N1422 VanDerWaalsContact CE-CG 3.47Å; M1303-N1422 WeakPolarHBondContact CE-O 3.28Å |
| 1304 | K | 66.3 | Low | 67.5 | Low | 132.6 Ų | 132.6 | 65 Ų | 65 | 58% | 0.577 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 177.9 | -157.3 | 177.2 | -179.5 | 176.5 | 0 | 112.5 | I1209 N1302 Q1308 | I1209-K1304 VanDerWaalsContact CG1-CE 3.5Å; N1302-K1304 VanDerWaalsContact C-N 3.26Å; N1302-K1304 PolarHBondContact O-N 3.09Å; N1302-K1304 VanDerWaalsContact O-N 3.15Å; N1302-K1304 PolarHBondContact OD1-N 3.23Å; K1304-Q1308 VanDerWaalsContact O-CB 3.29Å; K1304-Q1308 WeakPolarHBondContact O-CB 3.26Å; K1304-Q1308 PolarHBondContact O-N 3.28Å |
| 1305 | K | 67.3 | Low | 68 | Low | 126 Ų | 126 | 64.5 Ų | 64.5 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 177.7 | -73.5 | -172 | 178.1 | -174 | 0 | 111.9 | N1302 M1303 M1307 Q1308 S1309 | N1302-K1305 HydrophobicContact CB-CB 4.29Å; N1302-K1305 HydrophobicContact CB-CD 4.46Å; N1302-K1305 HydrophobicContact CB-CG 4.45Å; N1302-K1305 PolarHBondContact O-N 2.98Å; N1302-K1305 VanDerWaalsContact O-N 3.09Å; N1302-K1305 PolarHBondContact OD1-N 2.96Å; M1303-K1305 PolarHBondContact O-N 3.43Å; K1305-M1307 VanDerWaalsContact C-N 3.34Å; K1305-M1307 PolarHBondContact O-N 3.38Å; K1305-Q1308 PolarHBondContact O-N 3.1Å; K1305-S1309 WeakPolarHBondContact O-CB 3.37Å; K1305-S1309 PolarHBondContact O-N 3.37Å; K1305-S1309 PolarHBondContact O-OG 3Å |
| 1306 | M | 67.3 | Low | 68.8 | Low | 24.6 Ų | 24.6 | 67 Ų | 67 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.7 | -51.7 | 174 | -177.1 | -176.4 | 72.4 | 0 | 0 | 110.7 | H1299 N1302 M1303 Q1308 S1309 R1310 | H1299-M1306 HydrophobicContact CB-CB 3.98Å; N1302-M1306 PolarHBondContact O-N 2.95Å; N1302-M1306 VanDerWaalsContact O-N 3.11Å; M1303-M1306 HydrophobicContact CG-CE 4.45Å; M1303-M1306 PolarHBondContact O-N 2.96Å; M1306-Q1308 PolarHBondContact O-N 2.93Å; M1306-S1309 PolarHBondContact O-N 3.27Å; M1306-S1309 PolarHBondContact O-OG 3.2Å; M1306-R1310 PolarHBondContact O-N 3.28Å; M1306-R1310 VanDerWaalsContact O-N 3.09Å; M1306-R1310 PolarHBondContact SD-NH2 3.3Å; M1306-R1310 VanDerWaalsContact SD-NH2 3.41Å |
| 1307 | M | 70 | Confident | 69.8 | Low | 25.6 Ų | 25.6 | 65.4 Ų | 65.4 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | -179.2 | -169.6 | 150.4 | 179.3 | 0 | 0 | 112.5 | E1213 M1303 K1305 S1309 R1310 L1311 L1419 | E1213-M1307 HydrophobicContact CB-CE 3.86Å; E1213-M1307 HydrophobicContact CG-CE 3.67Å; E1213-M1307 HydrophobicContact CG-SD 3.64Å; E1213-M1307 VanDerWaalsContact CG-SD 3.58Å; M1303-M1307 WeakPolarHBondContact O-CB 3.37Å; M1303-M1307 PolarHBondContact O-N 3.18Å; K1305-M1307 VanDerWaalsContact C-N 3.34Å; K1305-M1307 PolarHBondContact O-N 3.38Å; M1307-S1309 VanDerWaalsContact C-N 3.3Å; M1307-S1309 PolarHBondContact O-N 3.04Å; M1307-R1310 PolarHBondContact O-N 3.01Å; M1307-L1311 HydrophobicContact CG-CD1 4.15Å; M1307-L1311 HydrophobicContact CG-CG 4.47Å; M1307-L1311 WeakPolarHBondContact O-CB 3.39Å; M1307-L1311 WeakPolarHBondContact O-CG 3.42Å; M1307-L1311 PolarHBondContact O-N 2.98Å; M1307-L1419 HydrophobicContact CE-CD2 4.39Å |
| 1308 | Q | 72.5 | Confident | 70.8 | Confident | 71 Ų | 71 | 61 Ų | 61 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 175 | -169.6 | 65.4 | 46.5 | 0 | 0 | 111.9 | K1304 K1305 M1306 R1310 L1311 N1312 | K1304-Q1308 VanDerWaalsContact O-CB 3.29Å; K1304-Q1308 WeakPolarHBondContact O-CB 3.26Å; K1304-Q1308 PolarHBondContact O-N 3.28Å; K1305-Q1308 PolarHBondContact O-N 3.1Å; M1306-Q1308 PolarHBondContact O-N 2.93Å; Q1308-R1310 VanDerWaalsContact C-N 3.35Å; Q1308-R1310 PolarHBondContact O-N 3.19Å; Q1308-L1311 PolarHBondContact O-N 3.41Å; Q1308-N1312 PolarHBondContact NE2-OD1 3.08Å; Q1308-N1312 VanDerWaalsContact NE2-OD1 3.14Å; Q1308-N1312 PolarHBondContact O-N 3.22Å; Q1308-N1312 PolarHBondContact O-OD1 3.03Å; Q1308-N1312 VanDerWaalsContact O-OD1 3.13Å |
| 1309 | S | 72.9 | Confident | 72.1 | Confident | 25.8 Ų | 25.8 | 63.7 Ų | 63.7 | 18% | 0.18 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | T1295 H1299 K1305 M1306 M1307 N1312 I1313 | T1295-S1309 VanDerWaalsContact CB-OG 3.26Å; T1295-S1309 WeakPolarHBondContact CB-OG 3.37Å; T1295-S1309 VanDerWaalsContact CG2-OG 3.29Å; T1295-S1309 WeakPolarHBondContact CG2-OG 3.42Å; H1299-S1309 PolarHBondContact NE2-OG 3.43Å; K1305-S1309 WeakPolarHBondContact O-CB 3.37Å; K1305-S1309 PolarHBondContact O-N 3.37Å; K1305-S1309 PolarHBondContact O-OG 3Å; M1306-S1309 PolarHBondContact O-N 3.27Å; M1306-S1309 PolarHBondContact O-OG 3.2Å; M1307-S1309 VanDerWaalsContact C-N 3.3Å; M1307-S1309 PolarHBondContact O-N 3.04Å; S1309-N1312 PolarHBondContact O-N 3.13Å; S1309-I1313 WeakPolarHBondContact O-CD1 3.04Å; S1309-I1313 VanDerWaalsContact O-CG1 3.31Å; S1309-I1313 WeakPolarHBondContact O-CG1 3.37Å; S1309-I1313 PolarHBondContact O-N 3.24Å |
| 1310 | R | 76.2 | Confident | 73.5 | Confident | 10.8 Ų | 10.8 | 62.6 Ų | 62.6 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 174.1 | -66.9 | -174.5 | -172.7 | 171 | 8.2 | 112.3 | I1292 T1295 C1296 M1306 M1307 Q1308 N1312 I1313 V1314 A1418 H1421 | I1292-R1310 HydrophobicContact CG2-CG 4.45Å; T1295-R1310 HydrophobicContact CG2-CG 4.1Å; T1295-R1310 VanDerWaalsContact OG1-CG 3.29Å; T1295-R1310 WeakPolarHBondContact OG1-CG 3.39Å; T1295-R1310 PolarHBondContact OG1-NE 3.1Å; T1295-R1310 VanDerWaalsContact OG1-NE 3.14Å; C1296-R1310 PolarHBondContact SG-NH2 3Å; M1306-R1310 PolarHBondContact O-N 3.28Å; M1306-R1310 VanDerWaalsContact O-N 3.09Å; M1306-R1310 PolarHBondContact SD-NH2 3.3Å; M1306-R1310 VanDerWaalsContact SD-NH2 3.41Å; M1307-R1310 PolarHBondContact O-N 3.01Å; Q1308-R1310 VanDerWaalsContact C-N 3.35Å; Q1308-R1310 PolarHBondContact O-N 3.19Å; R1310-N1312 VanDerWaalsContact C-N 3.3Å; R1310-N1312 PolarHBondContact O-N 3.17Å; R1310-I1313 PolarHBondContact O-N 3.04Å; R1310-V1314 WeakPolarHBondContact O-CG2 3.29Å; R1310-V1314 PolarHBondContact O-N 3.26Å; R1310-A1418 WeakPolarHBondContact CD-O 3.31Å; R1310-A1418 PolarHBondContact NH1-O 3.24Å; R1310-H1421 PolarHBondContact NH1-O 3.35Å |
| 1311 | L | 76.9 | Confident | 75 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 176 | -131.3 | 112.6 | 0 | 0 | 0 | 111.3 | E1216 I1220 M1307 Q1308 I1313 V1314 Q1315 L1419 | E1216-L1311 HydrophobicContact CB-CD1 4.11Å; E1216-L1311 HydrophobicContact CB-CD2 4.07Å; E1216-L1311 HydrophobicContact CG-CD1 4.21Å; E1216-L1311 HydrophobicContact CG-CD2 3.8Å; I1220-L1311 HydrophobicContact CD1-CD1 3.39Å; I1220-L1311 VanDerWaalsContact CD1-CD1 3.48Å; I1220-L1311 HydrophobicContact CD1-CD2 3.46Å; I1220-L1311 VanDerWaalsContact CD1-CD2 3.41Å; I1220-L1311 HydrophobicContact CD1-CG 4.4Å; M1307-L1311 HydrophobicContact CG-CD1 4.15Å; M1307-L1311 HydrophobicContact CG-CG 4.47Å; M1307-L1311 WeakPolarHBondContact O-CB 3.39Å; M1307-L1311 WeakPolarHBondContact O-CG 3.42Å; M1307-L1311 PolarHBondContact O-N 2.98Å; Q1308-L1311 PolarHBondContact O-N 3.41Å; L1311-I1313 VanDerWaalsContact C-N 3.34Å; L1311-I1313 PolarHBondContact O-N 3.36Å; L1311-V1314 PolarHBondContact O-N 3.1Å; L1311-Q1315 WeakPolarHBondContact O-CB 3.1Å; L1311-Q1315 WeakPolarHBondContact O-CG 3.36Å; L1311-Q1315 PolarHBondContact O-N 3.26Å; L1311-L1419 HydrophobicContact CD2-CD2 3.74Å; L1311-L1419 HydrophobicContact CG-CD2 4.32Å |
| 1312 | N | 77.5 | Confident | 76.3 | Confident | 78.6 Ų | 78.6 | 50.4 Ų | 50.4 | 42% | 0.42 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.3 | -66.8 | -1.8 | 0 | 0 | 0 | 111.6 | Q1308 S1309 R1310 V1314 Q1315 E1316 | Q1308-N1312 PolarHBondContact NE2-OD1 3.08Å; Q1308-N1312 VanDerWaalsContact NE2-OD1 3.14Å; Q1308-N1312 PolarHBondContact O-N 3.22Å; Q1308-N1312 PolarHBondContact O-OD1 3.03Å; Q1308-N1312 VanDerWaalsContact O-OD1 3.13Å; S1309-N1312 PolarHBondContact O-N 3.13Å; R1310-N1312 VanDerWaalsContact C-N 3.3Å; R1310-N1312 PolarHBondContact O-N 3.17Å; N1312-V1314 VanDerWaalsContact C-N 3.34Å; N1312-V1314 PolarHBondContact O-N 3.23Å; N1312-Q1315 PolarHBondContact O-N 3.13Å; N1312-E1316 WeakPolarHBondContact O-CB 3.39Å; N1312-E1316 PolarHBondContact O-N 3.06Å |
| 1313 | I | 77.9 | Confident | 77.2 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.2 | -62.8 | 162.1 | 0 | 0 | 0 | 111 | L1288 R1291 I1292 T1295 S1309 R1310 L1311 E1316 L1317 | L1288-I1313 HydrophobicContact CD1-CG2 3.91Å; L1288-I1313 HydrophobicContact CG-CG2 4.28Å; R1291-I1313 HydrophobicContact CB-CD1 4.17Å; R1291-I1313 HydrophobicContact CG-CD1 3.77Å; R1291-I1313 HydrophobicContact CG-CG1 4.26Å; I1292-I1313 HydrophobicContact CD1-CG2 4.37Å; I1292-I1313 HydrophobicContact CG1-CD1 4.33Å; I1292-I1313 HydrophobicContact CG1-CG2 4.23Å; T1295-I1313 HydrophobicContact CG2-CD1 3.72Å; S1309-I1313 WeakPolarHBondContact O-CD1 3.04Å; S1309-I1313 VanDerWaalsContact O-CG1 3.31Å; S1309-I1313 WeakPolarHBondContact O-CG1 3.37Å; S1309-I1313 PolarHBondContact O-N 3.24Å; R1310-I1313 PolarHBondContact O-N 3.04Å; L1311-I1313 VanDerWaalsContact C-N 3.34Å; L1311-I1313 PolarHBondContact O-N 3.36Å; I1313-E1316 WeakPolarHBondContact O-CB 3.4Å; I1313-E1316 PolarHBondContact O-N 3.02Å; I1313-L1317 PolarHBondContact O-N 3.04Å |
| 1314 | V | 80.7 | Confident | 78.3 | Confident | 4.6 Ų | 4.6 | 45.9 Ų | 45.9 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.8 | 167.2 | 0 | 0 | 0 | 0 | 111.6 | I1220 R1310 L1311 N1312 E1316 L1317 L1318 I1415 A1418 | I1220-V1314 HydrophobicContact CD1-CG1 3.82Å; I1220-V1314 HydrophobicContact CG1-CG1 4.32Å; I1220-V1314 HydrophobicContact CG2-CG1 4.29Å; R1310-V1314 WeakPolarHBondContact O-CG2 3.29Å; R1310-V1314 PolarHBondContact O-N 3.26Å; L1311-V1314 PolarHBondContact O-N 3.1Å; N1312-V1314 VanDerWaalsContact C-N 3.34Å; N1312-V1314 PolarHBondContact O-N 3.23Å; V1314-E1316 VanDerWaalsContact C-N 3.34Å; V1314-L1317 WeakPolarHBondContact O-CB 3.35Å; V1314-L1317 PolarHBondContact O-N 3.18Å; V1314-L1318 HydrophobicContact CG1-CD1 4.2Å; V1314-L1318 WeakPolarHBondContact O-CG 3.38Å; V1314-L1318 PolarHBondContact O-N 3.16Å; V1314-L1318 VanDerWaalsContact O-N 3.09Å; V1314-I1415 HydrophobicContact CG1-CB 4.47Å; V1314-I1415 HydrophobicContact CG1-CD1 3.87Å; V1314-I1415 HydrophobicContact CG1-CG1 3.73Å; V1314-I1415 HydrophobicContact CG1-CG2 4.14Å; V1314-I1415 HydrophobicContact CG2-CG1 4.37Å; V1314-A1418 HydrophobicContact CG2-CB 4.26Å |
| 1315 | Q | 79.5 | Confident | 79.3 | Confident | 82.4 Ų | 82.4 | 39.8 Ų | 39.8 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.2 | -38.6 | 175.7 | -73.2 | 178.2 | 1.2 | 0 | 0 | 111.8 | E1216 L1311 N1312 L1318 Y1319 | E1216-Q1315 PolarHBondContact OE2-NE2 2.95Å; E1216-Q1315 VanDerWaalsContact OE2-NE2 3.09Å; L1311-Q1315 WeakPolarHBondContact O-CB 3.1Å; L1311-Q1315 WeakPolarHBondContact O-CG 3.36Å; L1311-Q1315 PolarHBondContact O-N 3.26Å; N1312-Q1315 PolarHBondContact O-N 3.13Å; Q1315-L1318 PolarHBondContact O-N 3.16Å; Q1315-Y1319 VanDerWaalsContact O-CB 3.27Å; Q1315-Y1319 WeakPolarHBondContact O-CB 3.42Å; Q1315-Y1319 PolarHBondContact O-N 3.01Å |
| 1316 | E | 81.5 | Confident | 80.1 | Confident | 60.6 Ų | 60.6 | 39.3 Ų | 39.3 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 173.3 | -168.3 | -177.4 | 170.4 | 0 | 0 | 111 | V1261 R1291 N1312 I1313 V1314 L1318 Y1319 H1320 | V1261-E1316 HydrophobicContact CG1-CG 4.13Å; V1261-E1316 VanDerWaalsContact CG1-OE1 3.27Å; V1261-E1316 WeakPolarHBondContact CG1-OE1 3.29Å; R1291-E1316 IonicContact CZ-OE1 2.85Å; R1291-E1316 IonicContact CZ-OE2 3.04Å; R1291-E1316 VanDerWaalsContact CZ-OE2 3.31Å; R1291-E1316 VanDerWaalsContact NH1-CD 3.3Å; R1291-E1316 IonicContact NH1-OE1 3.16Å; R1291-E1316 PolarHBondContact NH1-OE1 3.19Å; R1291-E1316 IonicContact NH1-OE2 3.16Å; R1291-E1316 PolarHBondContact NH1-OE2 3.27Å; R1291-E1316 VanDerWaalsContact NH1-OE2 3.14Å; R1291-E1316 IonicContact NH2-OE1 2.85Å; R1291-E1316 IonicContact NH2-OE2 2.68Å; R1291-E1316 PolarHBondContact NH2-OE2 2.89Å; N1312-E1316 WeakPolarHBondContact O-CB 3.39Å; N1312-E1316 PolarHBondContact O-N 3.06Å; I1313-E1316 WeakPolarHBondContact O-CB 3.4Å; I1313-E1316 PolarHBondContact O-N 3.02Å; V1314-E1316 VanDerWaalsContact C-N 3.34Å; E1316-L1318 PolarHBondContact O-N 3.2Å; E1316-Y1319 WeakPolarHBondContact O-CB 3.37Å; E1316-Y1319 PolarHBondContact O-N 3.21Å; E1316-H1320 PolarHBondContact O-CD2 3.04Å; E1316-H1320 VanDerWaalsContact O-CD2 3.27Å; E1316-H1320 PolarHBondContact O-N 3.35Å; E1316-H1320 VanDerWaalsContact O-N 3.1Å |
| 1317 | L | 83.2 | Confident | 81 | Confident | 3.2 Ų | 3.2 | 38.4 Ų | 38.4 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.6 | -48.4 | 174.5 | 178.6 | 65.9 | 0 | 0 | 0 | 112 | Y1258 F1262 L1288 I1313 V1314 Y1319 H1320 L1321 L1442 | Y1258-L1317 HydrophobicContact CE2-CD1 3.9Å; F1262-L1317 HydrophobicContact CD2-CD1 4.32Å; F1262-L1317 HydrophobicContact CE1-CD1 4.43Å; F1262-L1317 HydrophobicContact CE2-CD1 3.97Å; F1262-L1317 HydrophobicContact CZ-CB 4.17Å; F1262-L1317 HydrophobicContact CZ-CD1 3.98Å; L1288-L1317 HydrophobicContact CD1-CB 4.27Å; L1288-L1317 HydrophobicContact CD1-CD1 3.92Å; L1288-L1317 HydrophobicContact CD1-CD2 4.18Å; L1288-L1317 HydrophobicContact CD1-CG 4.23Å; L1288-L1317 HydrophobicContact CD2-CD2 4.15Å; I1313-L1317 PolarHBondContact O-N 3.04Å; V1314-L1317 WeakPolarHBondContact O-CB 3.35Å; V1314-L1317 PolarHBondContact O-N 3.18Å; L1317-Y1319 VanDerWaalsContact C-N 3.31Å; L1317-Y1319 PolarHBondContact O-N 3.06Å; L1317-H1320 PolarHBondContact O-N 3.04Å; L1317-L1321 VanDerWaalsContact O-CB 3.25Å; L1317-L1321 WeakPolarHBondContact O-CB 3.36Å; L1317-L1321 PolarHBondContact O-N 3.11Å; L1317-L1442 HydrophobicContact CD1-CD2 4.33Å |
| 1318 | L | 83.5 | Confident | 81.7 | Confident | 20.2 Ų | 20.2 | 37.1 Ų | 37.1 | 11% | 0.106 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65 | -36.3 | 178.8 | -72.5 | 170.4 | 0 | 0 | 0 | 112.3 | I1220 A1223 I1224 L1227 V1314 Q1315 E1316 L1321 G1322 I1415 | I1220-L1318 HydrophobicContact CG1-CD1 4.35Å; I1220-L1318 HydrophobicContact CG2-CD1 4.07Å; A1223-L1318 HydrophobicContact CB-CD1 4.48Å; I1224-L1318 HydrophobicContact CG1-CD2 3.94Å; L1227-L1318 HydrophobicContact CD1-CD2 4.34Å; V1314-L1318 HydrophobicContact CG1-CD1 4.2Å; V1314-L1318 WeakPolarHBondContact O-CG 3.38Å; V1314-L1318 PolarHBondContact O-N 3.16Å; V1314-L1318 VanDerWaalsContact O-N 3.09Å; Q1315-L1318 PolarHBondContact O-N 3.16Å; E1316-L1318 PolarHBondContact O-N 3.2Å; L1318-L1321 PolarHBondContact O-N 3.17Å; L1318-G1322 PolarHBondContact O-N 3.19Å; L1318-G1322 VanDerWaalsContact O-N 3.07Å; L1318-I1415 HydrophobicContact CD1-CD1 4.25Å; L1318-I1415 HydrophobicContact CD2-CD1 3.96Å; L1318-I1415 HydrophobicContact CG-CD1 4.14Å |
| 1319 | Y | 83.8 | Confident | 82.3 | Confident | 174.4 Ų | 174.4 | 35 Ų | 35 | 68% | 0.684 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -62.9 | -43.6 | 177.6 | -179.8 | -98 | 0 | 0 | 0 | 111.9 | Q1315 E1316 L1317 P1323 | Q1315-Y1319 VanDerWaalsContact O-CB 3.27Å; Q1315-Y1319 WeakPolarHBondContact O-CB 3.42Å; Q1315-Y1319 PolarHBondContact O-N 3.01Å; E1316-Y1319 WeakPolarHBondContact O-CB 3.37Å; E1316-Y1319 PolarHBondContact O-N 3.21Å; L1317-Y1319 VanDerWaalsContact C-N 3.31Å; L1317-Y1319 PolarHBondContact O-N 3.06Å; Y1319-P1323 WeakPolarHBondContact O-CD 3.4Å |
| 1320 | H | 83.1 | Confident | 82.8 | Confident | 36.8 Ų | 36.8 | 34.1 Ų | 34.1 | 17% | 0.17 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -79.6 | -30.1 | 177.3 | -69.3 | -68.7 | 0 | 0 | 0 | 113.5 | Y1258 F1262 E1316 L1317 P1323 | Y1258-H1320 HydrophobicContact CD2-CB 4.14Å; F1262-H1320 HydrophobicContact CE2-CB 4.32Å; E1316-H1320 PolarHBondContact O-CD2 3.04Å; E1316-H1320 VanDerWaalsContact O-CD2 3.27Å; E1316-H1320 PolarHBondContact O-N 3.35Å; E1316-H1320 VanDerWaalsContact O-N 3.1Å; L1317-H1320 PolarHBondContact O-N 3.04Å; H1320-P1323 WeakPolarHBondContact O-CD 3.24Å |
| 1321 | L | 86.3 | Confident | 83.2 | Confident | 0.8 Ų | 0.8 | 33.6 Ų | 33.6 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.5 | -33.1 | 178.6 | -173.8 | 64.7 | 0 | 0 | 0 | 112.9 | L1317 L1318 V1324 L1325 C1411 L1442 I1446 | L1317-L1321 VanDerWaalsContact O-CB 3.25Å; L1317-L1321 WeakPolarHBondContact O-CB 3.36Å; L1317-L1321 PolarHBondContact O-N 3.11Å; L1318-L1321 PolarHBondContact O-N 3.17Å; L1321-V1324 PolarHBondContact O-N 3.2Å; L1321-L1325 HydrophobicContact CD1-CD1 4.47Å; L1321-L1325 HydrophobicContact CD1-CG 4.3Å; L1321-L1325 HydrophobicContact CD2-CD1 4.2Å; L1321-L1325 HydrophobicContact CG-CD1 3.87Å; L1321-L1325 HydrophobicContact CG-CG 4.12Å; L1321-L1325 WeakPolarHBondContact O-CG 3.43Å; L1321-L1325 PolarHBondContact O-N 3Å; L1321-C1411 HydrophobicContact CD2-CB 3.64Å; L1321-C1411 VanDerWaalsContact CD2-SG 3.52Å; L1321-C1411 WeakPolarHBondContact CD2-SG 3.36Å; L1321-L1442 HydrophobicContact CD1-CD1 4.47Å; L1321-I1446 HydrophobicContact CD1-CD1 3.91Å; L1321-I1446 HydrophobicContact CD1-CG1 4.44Å |
| 1322 | G | 86.3 | Confident | 83.6 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 6% | 0.062 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.4 | -52.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1318 V1324 L1325 R1326 | L1318-G1322 PolarHBondContact O-N 3.19Å; L1318-G1322 VanDerWaalsContact O-N 3.07Å; G1322-V1324 VanDerWaalsContact C-N 3.33Å; G1322-V1324 PolarHBondContact O-N 3.18Å; G1322-L1325 PolarHBondContact O-N 3.05Å; G1322-R1326 WeakPolarHBondContact O-CG 3.14Å; G1322-R1326 PolarHBondContact O-N 3.03Å |
| 1323 | P | 85.5 | Confident | 83.8 | Confident | 59.6 Ų | 59.6 | 30.5 Ų | 30.5 | 39% | 0.387 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -57.9 | -40.2 | 174.4 | -27.4 | 35.7 | 0 | 0 | 0 | 113.7 | A1254 Y1319 H1320 R1326 G1327 | A1254-P1323 HydrophobicContact CB-CB 3.82Å; Y1319-P1323 WeakPolarHBondContact O-CD 3.4Å; H1320-P1323 WeakPolarHBondContact O-CD 3.24Å; P1323-R1326 PolarHBondContact O-N 3.03Å; P1323-G1327 PolarHBondContact O-N 3Å |
| 1324 | V | 87.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -48.3 | 177.7 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | A1254 I1255 L1321 G1322 R1326 G1327 I1328 I1446 | A1254-V1324 HydrophobicContact CB-CG2 3.83Å; A1254-V1324 WeakPolarHBondContact O-CG2 3.4Å; I1255-V1324 HydrophobicContact CG1-CG1 4.12Å; I1255-V1324 HydrophobicContact CG1-CG2 4.16Å; L1321-V1324 PolarHBondContact O-N 3.2Å; G1322-V1324 VanDerWaalsContact C-N 3.33Å; G1322-V1324 PolarHBondContact O-N 3.18Å; V1324-R1326 VanDerWaalsContact C-N 3.34Å; V1324-R1326 PolarHBondContact O-N 3.08Å; V1324-G1327 PolarHBondContact O-N 3Å; V1324-I1328 HydrophobicContact CG1-CD1 3.93Å; V1324-I1328 HydrophobicContact CG1-CG1 4.48Å; V1324-I1328 VanDerWaalsContact O-CG1 3.29Å; V1324-I1328 WeakPolarHBondContact O-CG1 3.35Å; V1324-I1328 PolarHBondContact O-N 3.05Å; V1324-I1446 HydrophobicContact CG1-CG1 4.47Å; V1324-I1446 HydrophobicContact CG1-CG2 4.27Å |
| 1325 | L | 86.7 | Confident | 84.1 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 178.6 | -70.4 | 172.3 | 0 | 0 | 0 | 112.4 | L1227 L1231 L1321 G1322 G1327 I1328 R1329 A1404 C1407 L1408 | L1227-L1325 HydrophobicContact CB-CD1 4.35Å; L1227-L1325 HydrophobicContact CD1-CD1 4.3Å; L1231-L1325 HydrophobicContact CD1-CB 4.31Å; L1231-L1325 HydrophobicContact CD1-CD2 4.31Å; L1321-L1325 HydrophobicContact CD1-CD1 4.47Å; L1321-L1325 HydrophobicContact CD1-CG 4.3Å; L1321-L1325 HydrophobicContact CD2-CD1 4.2Å; L1321-L1325 HydrophobicContact CG-CD1 3.87Å; L1321-L1325 HydrophobicContact CG-CG 4.12Å; L1321-L1325 WeakPolarHBondContact O-CG 3.43Å; L1321-L1325 PolarHBondContact O-N 3Å; G1322-L1325 PolarHBondContact O-N 3.05Å; L1325-G1327 VanDerWaalsContact C-N 3.34Å; L1325-G1327 PolarHBondContact O-N 3.27Å; L1325-I1328 HydrophobicContact CD2-CD1 4.36Å; L1325-I1328 PolarHBondContact O-N 3.25Å; L1325-R1329 WeakPolarHBondContact O-CB 3.44Å; L1325-R1329 PolarHBondContact O-N 3.21Å; L1325-A1404 HydrophobicContact CD2-CB 4.05Å; L1325-C1407 HydrophobicContact CD2-CB 4.19Å; L1325-L1408 HydrophobicContact CD1-CD2 3.55Å; L1325-L1408 HydrophobicContact CD1-CG 4Å; L1325-L1408 HydrophobicContact CD2-CG 4.36Å |
| 1326 | R | 84.7 | Confident | 84.2 | Confident | 114.6 Ų | 114.6 | 28.6 Ų | 28.6 | 43% | 0.432 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 174.2 | -72.7 | -177.4 | -168.4 | 149.9 | 4.3 | 112 | E1230 G1322 P1323 V1324 I1328 R1329 S1330 | E1230-R1326 VanDerWaalsContact CD-NH2 3.35Å; E1230-R1326 IonicContact OE1-CZ 3.24Å; E1230-R1326 IonicContact OE1-NH2 3.74Å; E1230-R1326 PolarHBondContact OE1-NH2 3.08Å; E1230-R1326 IonicContact OE2-CZ 3.26Å; E1230-R1326 VanDerWaalsContact OE2-CZ 3.31Å; E1230-R1326 IonicContact OE2-NE 3.09Å; E1230-R1326 PolarHBondContact OE2-NE 3.16Å; E1230-R1326 VanDerWaalsContact OE2-NE 3.12Å; E1230-R1326 IonicContact OE2-NH2 3.31Å; E1230-R1326 PolarHBondContact OE2-NH2 2.92Å; G1322-R1326 WeakPolarHBondContact O-CG 3.14Å; G1322-R1326 PolarHBondContact O-N 3.03Å; P1323-R1326 PolarHBondContact O-N 3.03Å; V1324-R1326 VanDerWaalsContact C-N 3.34Å; V1324-R1326 PolarHBondContact O-N 3.08Å; R1326-I1328 VanDerWaalsContact C-N 3.34Å; R1326-I1328 PolarHBondContact O-N 3.4Å; R1326-R1329 WeakPolarHBondContact O-CB 3.3Å; R1326-R1329 PolarHBondContact O-N 3.34Å; R1326-R1329 VanDerWaalsContact O-N 3.12Å; R1326-S1330 WeakPolarHBondContact O-CB 3.31Å; R1326-S1330 PolarHBondContact O-N 3.25Å; R1326-S1330 PolarHBondContact O-OG 3.13Å |
| 1327 | G | 85.2 | Confident | 84.1 | Confident | 5.4 Ų | 5.4 | 27.8 Ų | 27.8 | 6% | 0.056 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1323 V1324 L1325 R1329 S1330 L1331 | P1323-G1327 PolarHBondContact O-N 3Å; V1324-G1327 PolarHBondContact O-N 3Å; L1325-G1327 VanDerWaalsContact C-N 3.34Å; L1325-G1327 PolarHBondContact O-N 3.27Å; G1327-R1329 VanDerWaalsContact C-N 3.33Å; G1327-R1329 PolarHBondContact O-N 2.92Å; G1327-S1330 PolarHBondContact O-N 3.15Å; G1327-L1331 WeakPolarHBondContact O-CB 3.34Å; G1327-L1331 PolarHBondContact O-N 3.03Å |
| 1328 | I | 85.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 173.4 | -65.3 | 161.5 | 0 | 0 | 0 | 110.6 | L1251 V1324 L1325 R1326 S1330 L1331 A1332 L1400 A1404 V1449 | L1251-I1328 HydrophobicContact CD1-CG1 4.23Å; V1324-I1328 HydrophobicContact CG1-CD1 3.93Å; V1324-I1328 HydrophobicContact CG1-CG1 4.48Å; V1324-I1328 VanDerWaalsContact O-CG1 3.29Å; V1324-I1328 WeakPolarHBondContact O-CG1 3.35Å; V1324-I1328 PolarHBondContact O-N 3.05Å; L1325-I1328 HydrophobicContact CD2-CD1 4.36Å; L1325-I1328 PolarHBondContact O-N 3.25Å; R1326-I1328 VanDerWaalsContact C-N 3.34Å; R1326-I1328 PolarHBondContact O-N 3.4Å; I1328-S1330 VanDerWaalsContact C-N 3.32Å; I1328-S1330 PolarHBondContact O-N 2.78Å; I1328-L1331 PolarHBondContact O-N 3.25Å; I1328-A1332 VanDerWaalsContact O-CB 3.24Å; I1328-A1332 WeakPolarHBondContact O-CB 3.41Å; I1328-A1332 PolarHBondContact O-N 3.02Å; I1328-L1400 HydrophobicContact CG2-CB 4.11Å; I1328-L1400 HydrophobicContact CG2-CD2 4.24Å; I1328-L1400 WeakPolarHBondContact CG2-O 3.18Å; I1328-A1404 HydrophobicContact CD1-CB 4.44Å; I1328-A1404 HydrophobicContact CG2-CB 3.91Å; I1328-V1449 HydrophobicContact CD1-CG1 4.44Å; I1328-V1449 HydrophobicContact CD1-CG2 3.63Å; I1328-V1449 HydrophobicContact CG1-CB 4.4Å; I1328-V1449 HydrophobicContact CG1-CG1 3.71Å; I1328-V1449 HydrophobicContact CG1-CG2 3.79Å |
| 1329 | R | 85.1 | Confident | 83.5 | Confident | 26.4 Ų | 26.4 | 27.1 Ų | 27.1 | 10% | 0.1 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -48.9 | 177.2 | -172.3 | -167.1 | 71 | 114.4 | 8.4 | 111.6 | N558 E1230 L1231 Y1236 E1242 L1325 R1326 G1327 L1331 A1332 R1333 | N558-R1329 PolarHBondContact ND2-NH2 3.33Å; N558-R1329 VanDerWaalsContact ND2-NH2 3.13Å; E1230-R1329 WeakPolarHBondContact O-CD 3.29Å; E1230-R1329 PolarHBondContact O-NH1 3.17Å; L1231-R1329 HydrophobicContact CD1-CB 4.14Å; L1231-R1329 HydrophobicContact CD1-CG 4.36Å; Y1236-R1329 VanDerWaalsContact CB-CZ 3.4Å; Y1236-R1329 HydrophobicContact CD1-CG 3.67Å; Y1236-R1329 VanDerWaalsContact CD1-NE 3.26Å; Y1236-R1329 HydrophobicContact CD2-CG 3.84Å; Y1236-R1329 HydrophobicContact CE1-CG 3.85Å; Y1236-R1329 VanDerWaalsContact CE1-NE 3.35Å; Y1236-R1329 HydrophobicContact CE2-CG 4.15Å; E1242-R1329 IonicContact OE1-NH2 3.45Å; E1242-R1329 IonicContact OE2-NH2 3.15Å; L1325-R1329 WeakPolarHBondContact O-CB 3.44Å; L1325-R1329 PolarHBondContact O-N 3.21Å; R1326-R1329 WeakPolarHBondContact O-CB 3.3Å; R1326-R1329 PolarHBondContact O-N 3.34Å; R1326-R1329 VanDerWaalsContact O-N 3.12Å; G1327-R1329 VanDerWaalsContact C-N 3.33Å; G1327-R1329 PolarHBondContact O-N 2.92Å; R1329-L1331 VanDerWaalsContact C-N 3.33Å; R1329-L1331 PolarHBondContact O-N 2.91Å; R1329-A1332 PolarHBondContact O-N 3.06Å; R1329-R1333 VanDerWaalsContact NH1-CZ 3.35Å; R1329-R1333 WeakPolarHBondContact O-CB 3.38Å; R1329-R1333 WeakPolarHBondContact O-CG 3.47Å; R1329-R1333 PolarHBondContact O-N 3.08Å |
| 1330 | S | 83 | Confident | 83.2 | Confident | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | -178.5 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | Y1236 L1238 E1242 R1326 G1327 I1328 A1332 R1333 Y1334 | Y1236-S1330 PolarHBondContact OH-OG 3.37Å; L1238-S1330 WeakPolarHBondContact CD2-O 3.5Å; E1242-S1330 PolarHBondContact OE1-OG 3.34Å; E1242-S1330 PolarHBondContact OE2-OG 3.19Å; R1326-S1330 WeakPolarHBondContact O-CB 3.31Å; R1326-S1330 PolarHBondContact O-N 3.25Å; R1326-S1330 PolarHBondContact O-OG 3.13Å; G1327-S1330 PolarHBondContact O-N 3.15Å; I1328-S1330 VanDerWaalsContact C-N 3.32Å; I1328-S1330 PolarHBondContact O-N 2.78Å; S1330-A1332 PolarHBondContact O-N 2.65Å; S1330-R1333 WeakPolarHBondContact O-CB 3.3Å; S1330-R1333 PolarHBondContact O-N 3.14Å; S1330-Y1334 PolarHBondContact O-N 3.11Å |
| 1331 | L | 84.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 175.2 | -175.9 | 64 | 0 | 0 | 0 | 112.2 | L1244 I1247 L1251 G1327 I1328 R1329 R1333 Y1334 F1335 L1400 I1453 | L1244-L1331 HydrophobicContact CD1-CD1 4.13Å; I1247-L1331 HydrophobicContact CG2-CB 3.99Å; I1247-L1331 HydrophobicContact CG2-CD1 4.45Å; L1251-L1331 HydrophobicContact CD2-CB 4.35Å; L1251-L1331 HydrophobicContact CD2-CD2 3.78Å; G1327-L1331 WeakPolarHBondContact O-CB 3.34Å; G1327-L1331 PolarHBondContact O-N 3.03Å; I1328-L1331 PolarHBondContact O-N 3.25Å; R1329-L1331 VanDerWaalsContact C-N 3.33Å; R1329-L1331 PolarHBondContact O-N 2.91Å; L1331-R1333 VanDerWaalsContact C-N 3.33Å; L1331-R1333 PolarHBondContact O-N 3.34Å; L1331-Y1334 WeakPolarHBondContact O-CB 3.3Å; L1331-Y1334 PolarHBondContact O-N 3.17Å; L1331-Y1334 VanDerWaalsContact O-N 3.12Å; L1331-F1335 HydrophobicContact CD1-CD2 4.37Å; L1331-F1335 HydrophobicContact CD1-CE2 3.76Å; L1331-F1335 HydrophobicContact CD1-CZ 4.11Å; L1331-F1335 HydrophobicContact CD2-CE2 4.1Å; L1331-F1335 HydrophobicContact CG-CD2 4.11Å; L1331-F1335 HydrophobicContact CG-CE2 3.64Å; L1331-F1335 HydrophobicContact CG-CZ 4.46Å; L1331-F1335 VanDerWaalsContact O-CD2 3.26Å; L1331-F1335 WeakPolarHBondContact O-CD2 3.32Å; L1331-F1335 PolarHBondContact O-N 3.22Å; L1331-F1335 VanDerWaalsContact O-N 3.08Å; L1331-L1400 HydrophobicContact CB-CD1 4.42Å; L1331-L1400 HydrophobicContact CD2-CD1 3.98Å; L1331-L1400 HydrophobicContact CG-CD1 3.95Å; L1331-I1453 HydrophobicContact CD2-CG1 4.43Å |
| 1332 | A | 84.2 | Confident | 81.6 | Confident | 0.4 Ų | 0.4 | 30 Ų | 30 | 0% | 0.003 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1328 R1329 S1330 F1335 H1336 H1397 L1400 M1401 | I1328-A1332 VanDerWaalsContact O-CB 3.24Å; I1328-A1332 WeakPolarHBondContact O-CB 3.41Å; I1328-A1332 PolarHBondContact O-N 3.02Å; R1329-A1332 PolarHBondContact O-N 3.06Å; S1330-A1332 PolarHBondContact O-N 2.65Å; A1332-F1335 PolarHBondContact O-N 3.25Å; A1332-H1336 PolarHBondContact O-N 3.08Å; A1332-H1397 PolarHBondContact O-ND1 2.97Å; A1332-L1400 HydrophobicContact CB-CB 3.97Å; A1332-L1400 HydrophobicContact CB-CD1 4.24Å; A1332-M1401 HydrophobicContact CB-CG 4.33Å; A1332-M1401 HydrophobicContact CB-SD 3.98Å |
| 1333 | R | 83 | Confident | 80.7 | Confident | 22.6 Ų | 22.6 | 33 Ų | 33 | 9% | 0.085 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -40.5 | 174 | -155.2 | 76.2 | 128.7 | 114.4 | -0.4 | 112.2 | D1233 S1235 Y1236 H1237 L1238 R1329 S1330 L1331 F1335 H1336 N1337 | D1233-R1333 PolarHBondContact O-NH2 3.31Å; S1235-R1333 PolarHBondContact O-NE 3.45Å; S1235-R1333 PolarHBondContact O-NH1 3.48Å; S1235-R1333 PolarHBondContact O-NH2 2.99Å; Y1236-R1333 VanDerWaalsContact CA-NH1 3.31Å; Y1236-R1333 VanDerWaalsContact CA-NH2 3.29Å; Y1236-R1333 HydrophobicContact CD1-CB 4.22Å; Y1236-R1333 HydrophobicContact CD1-CG 4.26Å; Y1236-R1333 HydrophobicContact CD2-CB 4.01Å; Y1236-R1333 HydrophobicContact CD2-CG 4.14Å; Y1236-R1333 HydrophobicContact CE1-CB 4Å; Y1236-R1333 HydrophobicContact CE1-CG 4.29Å; Y1236-R1333 HydrophobicContact CE2-CB 3.5Å; Y1236-R1333 VanDerWaalsContact CE2-CB 3.5Å; Y1236-R1333 HydrophobicContact CE2-CG 3.87Å; Y1236-R1333 VanDerWaalsContact O-CZ 3.31Å; Y1236-R1333 PolarHBondContact O-NE 3.37Å; Y1236-R1333 PolarHBondContact O-NH1 2.98Å; Y1236-R1333 VanDerWaalsContact O-NH1 3.09Å; Y1236-R1333 PolarHBondContact O-NH2 3.24Å; H1237-R1333 VanDerWaalsContact CA-NH1 3.25Å; H1237-R1333 VanDerWaalsContact N-CZ 3.32Å; H1237-R1333 VanDerWaalsContact N-NH2 3.12Å; H1237-R1333 PolarHBondContact ND1-NH2 3.37Å; H1237-R1333 PolarHBondContact O-NH1 3.06Å; H1237-R1333 VanDerWaalsContact O-NH1 3.17Å; H1237-R1333 PolarHBondContact O-NH2 2.79Å; L1238-R1333 HydrophobicContact CD2-CB 4.26Å; L1238-R1333 HydrophobicContact CD2-CG 4.26Å; L1238-R1333 HydrophobicContact CG-CB 4.23Å; L1238-R1333 HydrophobicContact CG-CG 4.04Å; L1238-R1333 VanDerWaalsContact N-NH1 3.13Å; R1329-R1333 VanDerWaalsContact NH1-CZ 3.35Å; R1329-R1333 WeakPolarHBondContact O-CB 3.38Å; R1329-R1333 WeakPolarHBondContact O-CG 3.47Å; R1329-R1333 PolarHBondContact O-N 3.08Å; S1330-R1333 WeakPolarHBondContact O-CB 3.3Å; S1330-R1333 PolarHBondContact O-N 3.14Å; L1331-R1333 VanDerWaalsContact C-N 3.33Å; L1331-R1333 PolarHBondContact O-N 3.34Å; R1333-F1335 VanDerWaalsContact C-N 3.28Å; R1333-F1335 PolarHBondContact O-N 2.99Å; R1333-H1336 PolarHBondContact NH1-CD2 3.4Å; R1333-H1336 WeakPolarHBondContact O-CA 3.31Å; R1333-H1336 WeakPolarHBondContact O-CB 3.36Å; R1333-H1336 PolarHBondContact O-N 3.05Å; R1333-H1336 VanDerWaalsContact O-N 3.08Å; R1333-N1337 PolarHBondContact NH1-OD1 3.2Å; R1333-N1337 PolarHBondContact O-N 3.08Å; R1333-N1337 PolarHBondContact O-OD1 3.03Å |
| 1334 | Y | 82.4 | Confident | 79.7 | Confident | 16.2 Ų | 16.2 | 31.1 Ų | 31.1 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 175.2 | -174.7 | -89.3 | 0 | 0 | 0 | 111.4 | L1238 L1244 S1330 L1331 H1336 N1337 A1338 L1348 F1551 | L1238-Y1334 HydrophobicContact CD1-CD2 4.22Å; L1244-Y1334 HydrophobicContact CB-CD2 4.26Å; L1244-Y1334 HydrophobicContact CB-CE1 4.33Å; L1244-Y1334 HydrophobicContact CB-CE2 3.79Å; L1244-Y1334 HydrophobicContact CD1-CD1 3.73Å; L1244-Y1334 HydrophobicContact CD1-CD2 4.37Å; L1244-Y1334 HydrophobicContact CD1-CE1 3.78Å; L1244-Y1334 HydrophobicContact CD1-CE2 4.39Å; L1244-Y1334 HydrophobicContact CD1-CG 4.06Å; L1244-Y1334 HydrophobicContact CD2-CE1 3.85Å; L1244-Y1334 HydrophobicContact CD2-CE2 4.49Å; L1244-Y1334 HydrophobicContact CG-CE1 4.2Å; L1244-Y1334 HydrophobicContact CG-CE2 4.45Å; S1330-Y1334 PolarHBondContact O-N 3.11Å; L1331-Y1334 WeakPolarHBondContact O-CB 3.3Å; L1331-Y1334 PolarHBondContact O-N 3.17Å; L1331-Y1334 VanDerWaalsContact O-N 3.12Å; Y1334-H1336 VanDerWaalsContact C-N 3.33Å; Y1334-H1336 PolarHBondContact O-N 3.08Å; Y1334-N1337 PolarHBondContact O-N 3.14Å; Y1334-A1338 WeakPolarHBondContact O-CB 3.36Å; Y1334-A1338 PolarHBondContact O-N 3.28Å; Y1334-L1348 HydrophobicContact CE1-CD1 4.4Å; Y1334-L1348 HydrophobicContact CE1-CD2 4.43Å; Y1334-F1551 HydrophobicContact CD2-CE1 4.5Å; Y1334-F1551 HydrophobicContact CD2-CZ 4.1Å; Y1334-F1551 AromaticContact CE1-CE1 3.92Å; Y1334-F1551 HydrophobicContact CE1-CE1 3.92Å; Y1334-F1551 HydrophobicContact CE1-CZ 4.29Å; Y1334-F1551 AromaticContact CE2-CE1 3.87Å; Y1334-F1551 HydrophobicContact CE2-CE1 3.87Å; Y1334-F1551 HydrophobicContact CE2-CE2 4.46Å; Y1334-F1551 AromaticContact CE2-CZ 3.62Å; Y1334-F1551 HydrophobicContact CE2-CZ 3.62Å; Y1334-F1551 AromaticContact CZ-CE1 3.52Å; Y1334-F1551 VanDerWaalsContact CZ-CE1 3.47Å; Y1334-F1551 AromaticContact CZ-CZ 3.8Å; Y1334-F1551 WeakPolarHBondContact OH-CE1 3.2Å |
| 1335 | F | 82 | Confident | 78.8 | Confident | 2.2 Ų | 2.2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -34.7 | 174.8 | -70.8 | -52.7 | 0 | 0 | 0 | 113.5 | L1331 A1332 R1333 A1338 A1339 I1352 M1396 H1397 L1400 | L1331-F1335 HydrophobicContact CD1-CD2 4.37Å; L1331-F1335 HydrophobicContact CD1-CE2 3.76Å; L1331-F1335 HydrophobicContact CD1-CZ 4.11Å; L1331-F1335 HydrophobicContact CD2-CE2 4.1Å; L1331-F1335 HydrophobicContact CG-CD2 4.11Å; L1331-F1335 HydrophobicContact CG-CE2 3.64Å; L1331-F1335 HydrophobicContact CG-CZ 4.46Å; L1331-F1335 VanDerWaalsContact O-CD2 3.26Å; L1331-F1335 WeakPolarHBondContact O-CD2 3.32Å; L1331-F1335 PolarHBondContact O-N 3.22Å; L1331-F1335 VanDerWaalsContact O-N 3.08Å; A1332-F1335 PolarHBondContact O-N 3.25Å; R1333-F1335 VanDerWaalsContact C-N 3.28Å; R1333-F1335 PolarHBondContact O-N 2.99Å; F1335-A1338 PolarHBondContact O-N 3.19Å; F1335-A1339 VanDerWaalsContact O-CB 3.27Å; F1335-A1339 WeakPolarHBondContact O-CB 3.38Å; F1335-A1339 PolarHBondContact O-N 3.21Å; F1335-I1352 HydrophobicContact CD1-CD1 4.48Å; F1335-I1352 HydrophobicContact CD1-CG1 4.48Å; F1335-I1352 HydrophobicContact CE1-CD1 4.35Å; F1335-I1352 HydrophobicContact CE1-CG1 4.08Å; F1335-M1396 HydrophobicContact CB-CB 4.49Å; F1335-M1396 HydrophobicContact CD1-SD 4.04Å; F1335-M1396 HydrophobicContact CD2-CB 4.05Å; F1335-M1396 HydrophobicContact CD2-SD 4.18Å; F1335-M1396 HydrophobicContact CE1-SD 3.68Å; F1335-M1396 VanDerWaalsContact CE1-SD 3.51Å; F1335-M1396 HydrophobicContact CE2-CB 4.38Å; F1335-M1396 HydrophobicContact CE2-SD 3.99Å; F1335-M1396 HydrophobicContact CG-CB 4.17Å; F1335-M1396 HydrophobicContact CG-SD 4.32Å; F1335-M1396 HydrophobicContact CZ-CE 4.48Å; F1335-M1396 HydrophobicContact CZ-SD 3.64Å; F1335-M1396 VanDerWaalsContact CZ-SD 3.54Å; F1335-M1396 WeakPolarHBondContact CZ-SD 3.4Å; F1335-H1397 HydrophobicContact CB-CB 4.31Å; F1335-L1400 HydrophobicContact CD2-CD1 3.68Å; F1335-L1400 HydrophobicContact CE2-CD1 3.8Å |
| 1336 | H | 82 | Confident | 78 | Confident | 42.2 Ų | 42.2 | 36.3 Ų | 36.3 | 20% | 0.195 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 172.5 | -173.1 | 86 | 0 | 0 | 0 | 111.7 | Y1236 A1332 R1333 Y1334 A1338 A1339 Q1340 H1397 | Y1236-H1336 AromaticContact CD1-CD2 3.42Å; Y1236-H1336 VanDerWaalsContact CD1-CD2 3.42Å; Y1236-H1336 WeakPolarHBondContact CD1-CD2 3.29Å; Y1236-H1336 AromaticContact CD1-CE1 3.92Å; Y1236-H1336 AromaticContact CD1-CG 3.82Å; Y1236-H1336 AromaticContact CD1-NE2 3.49Å; Y1236-H1336 WeakPolarHBondContact CD1-NE2 3.42Å; Y1236-H1336 AromaticContact CD2-NE2 3.84Å; Y1236-H1336 AromaticContact CE1-CE1 3.78Å; Y1236-H1336 AromaticContact CE1-NE2 3.78Å; Y1236-H1336 AromaticContact CG-CD2 3.62Å; Y1236-H1336 AromaticContact CG-NE2 3.51Å; A1332-H1336 PolarHBondContact O-N 3.08Å; R1333-H1336 PolarHBondContact NH1-CD2 3.4Å; R1333-H1336 WeakPolarHBondContact O-CA 3.31Å; R1333-H1336 WeakPolarHBondContact O-CB 3.36Å; R1333-H1336 PolarHBondContact O-N 3.05Å; R1333-H1336 VanDerWaalsContact O-N 3.08Å; Y1334-H1336 VanDerWaalsContact C-N 3.33Å; Y1334-H1336 PolarHBondContact O-N 3.08Å; H1336-A1338 VanDerWaalsContact C-N 3.35Å; H1336-A1338 PolarHBondContact O-N 3.44Å; H1336-A1339 WeakPolarHBondContact O-CB 3.19Å; H1336-A1339 PolarHBondContact O-N 3.21Å; H1336-Q1340 PolarHBondContact CE1-NE2 3.13Å; H1336-Q1340 PolarHBondContact NE2-NE2 3.09Å; H1336-Q1340 WeakPolarHBondContact O-CG 3.33Å; H1336-Q1340 PolarHBondContact O-N 3.26Å; H1336-Q1340 VanDerWaalsContact O-N 3.1Å; H1336-H1397 AromaticContact ND1-CD2 3.75Å; H1336-H1397 AromaticContact ND1-CE1 3.48Å; H1336-H1397 PolarHBondContact ND1-CE1 2.93Å; H1336-H1397 AromaticContact ND1-NE2 3.25Å; H1336-H1397 PolarHBondContact ND1-NE2 3.12Å |
| 1337 | N | 79.4 | Confident | 77.2 | Confident | 42.2 Ų | 42.2 | 33.8 Ų | 33.8 | 23% | 0.226 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -40.8 | 176.7 | -69 | 2.6 | 0 | 0 | 0 | 111.4 | L1238 R1333 Y1334 A1339 Q1340 S1341 F1551 | L1238-N1337 VanDerWaalsContact CD1-ND2 3.28Å; L1238-N1337 WeakPolarHBondContact CD1-ND2 3.4Å; R1333-N1337 PolarHBondContact NH1-OD1 3.2Å; R1333-N1337 PolarHBondContact O-N 3.08Å; R1333-N1337 PolarHBondContact O-OD1 3.03Å; Y1334-N1337 PolarHBondContact O-N 3.14Å; N1337-A1339 VanDerWaalsContact C-N 3.29Å; N1337-A1339 PolarHBondContact O-N 3.21Å; N1337-Q1340 PolarHBondContact O-N 2.92Å; N1337-Q1340 VanDerWaalsContact O-N 3.16Å; N1337-S1341 PolarHBondContact O-N 3.05Å; N1337-S1341 VanDerWaalsContact O-N 3.08Å; N1337-F1551 HydrophobicContact CB-CE2 4.27Å; N1337-F1551 HydrophobicContact CB-CZ 4.01Å |
| 1338 | A | 77.4 | Confident | 76.7 | Confident | 1.2 Ų | 1.2 | 33.6 Ų | 33.6 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1334 F1335 H1336 Q1340 S1341 I1352 A1393 F1551 | Y1334-A1338 WeakPolarHBondContact O-CB 3.36Å; Y1334-A1338 PolarHBondContact O-N 3.28Å; F1335-A1338 PolarHBondContact O-N 3.19Å; H1336-A1338 VanDerWaalsContact C-N 3.35Å; H1336-A1338 PolarHBondContact O-N 3.44Å; A1338-Q1340 VanDerWaalsContact C-N 3.34Å; A1338-Q1340 PolarHBondContact O-N 3.21Å; A1338-S1341 PolarHBondContact O-N 3.1Å; A1338-S1341 PolarHBondContact O-OG 3.24Å; A1338-I1352 HydrophobicContact CB-CD1 4.39Å; A1338-A1393 HydrophobicContact CB-CB 4.44Å; A1338-F1551 HydrophobicContact CB-CD1 4.16Å; A1338-F1551 HydrophobicContact CB-CE1 3.67Å; A1338-F1551 HydrophobicContact CB-CZ 4.41Å |
| 1339 | A | 76.6 | Confident | 76 | Confident | 9 Ų | 9 | 34.1 Ų | 34.1 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71 | -28.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1335 H1336 N1337 Q1390 A1393 N1394 | F1335-A1339 VanDerWaalsContact O-CB 3.27Å; F1335-A1339 WeakPolarHBondContact O-CB 3.38Å; F1335-A1339 PolarHBondContact O-N 3.21Å; H1336-A1339 WeakPolarHBondContact O-CB 3.19Å; H1336-A1339 PolarHBondContact O-N 3.21Å; N1337-A1339 VanDerWaalsContact C-N 3.29Å; N1337-A1339 PolarHBondContact O-N 3.21Å; A1339-Q1390 WeakPolarHBondContact CB-O 3.45Å; A1339-A1393 HydrophobicContact CB-CB 3.87Å; A1339-N1394 HydrophobicContact CB-CB 4.36Å; A1339-N1394 VanDerWaalsContact CB-CG 3.43Å; A1339-N1394 WeakPolarHBondContact CB-OD1 3.37Å |
| 1340 | Q | 76.7 | Confident | 75.4 | Confident | 130.2 Ų | 130.2 | 38.6 Ų | 38.6 | 61% | 0.608 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -85.6 | -19.2 | 175.3 | -69.3 | -171.7 | -3.8 | 0 | 0 | 113.5 | H1336 N1337 A1338 T1342 | H1336-Q1340 PolarHBondContact CE1-NE2 3.13Å; H1336-Q1340 PolarHBondContact NE2-NE2 3.09Å; H1336-Q1340 WeakPolarHBondContact O-CG 3.33Å; H1336-Q1340 PolarHBondContact O-N 3.26Å; H1336-Q1340 VanDerWaalsContact O-N 3.1Å; N1337-Q1340 PolarHBondContact O-N 2.92Å; N1337-Q1340 VanDerWaalsContact O-N 3.16Å; A1338-Q1340 VanDerWaalsContact C-N 3.34Å; A1338-Q1340 PolarHBondContact O-N 3.21Å; Q1340-T1342 PolarHBondContact O-N 2.78Å |
| 1341 | S | 71.6 | Confident | 74.9 | Confident | 19.4 Ų | 19.4 | 38.7 Ų | 38.7 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | trans | -66.6 | 137.1 | -178.1 | 87.6 | 0 | 0 | 0 | 0 | 112 | N1337 A1338 T1343 V1344 Q1390 | N1337-S1341 PolarHBondContact O-N 3.05Å; N1337-S1341 VanDerWaalsContact O-N 3.08Å; A1338-S1341 PolarHBondContact O-N 3.1Å; A1338-S1341 PolarHBondContact O-OG 3.24Å; S1341-T1343 VanDerWaalsContact C-N 3.32Å; S1341-T1343 PolarHBondContact OG-N 3.11Å; S1341-T1343 PolarHBondContact OG-O 3.33Å; S1341-V1344 VanDerWaalsContact OG-CG2 3.25Å; S1341-V1344 WeakPolarHBondContact OG-CG2 3.29Å; S1341-Q1390 PolarHBondContact O-NE2 3.3Å | ||
| 1342 | T | 64.8 | Low | 74.4 | Confident | 121.6 Ų | 121.6 | 38.8 Ų | 38.8 | 75% | 0.746 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -74.3 | -24.9 | 179.6 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | Q1340 E1386 | Q1340-T1342 PolarHBondContact O-N 2.78Å; T1342-E1386 VanDerWaalsContact O-OE1 3.13Å |
| 1343 | T | 65.8 | Low | 73.9 | Confident | 68.8 Ų | 68.8 | 40.9 Ų | 40.9 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | trans | -137 | 112.3 | 179.9 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | S1341 E1386 S1549 F1551 | S1341-T1343 VanDerWaalsContact C-N 3.32Å; S1341-T1343 PolarHBondContact OG-N 3.11Å; S1341-T1343 PolarHBondContact OG-O 3.33Å; T1343-E1386 WeakPolarHBondContact CA-OE1 3.44Å; T1343-S1549 PolarHBondContact OG1-O 3.31Å; T1343-S1549 VanDerWaalsContact OG1-O 3.12Å; T1343-F1551 PolarHBondContact O-N 3.19Å; T1343-F1551 VanDerWaalsContact O-N 3.12Å | ||
| 1344 | V | 65.1 | Low | 73.2 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -102.3 | 134.8 | 176 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | S1341 S1346 L1348 A1349 E1386 T1389 | S1341-V1344 VanDerWaalsContact OG-CG2 3.25Å; S1341-V1344 WeakPolarHBondContact OG-CG2 3.29Å; V1344-S1346 PolarHBondContact O-N 3.17Å; V1344-L1348 HydrophobicContact CG1-CB 4.01Å; V1344-L1348 HydrophobicContact CG1-CD2 3.9Å; V1344-L1348 HydrophobicContact CG1-CG 3.88Å; V1344-A1349 HydrophobicContact CG1-CB 4.29Å; V1344-E1386 PolarHBondContact N-OE1 3.03Å; V1344-T1389 HydrophobicContact CG1-CG2 4.21Å |
| 1345 | D | 68.2 | Low | 72.6 | Confident | 29.4 Ų | 29.4 | 41.3 Ų | 41.3 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | trans | -56.9 | 137.7 | 173.5 | 179 | 20.6 | 0 | 0 | 0 | 111 | N1347 L1348 A1349 F1551 | D1345-N1347 PolarHBondContact O-N 3.17Å; D1345-N1347 VanDerWaalsContact O-N 3.16Å; D1345-N1347 PolarHBondContact OD1-N 3.03Å; D1345-N1347 VanDerWaalsContact OD1-N 3.15Å; D1345-N1347 PolarHBondContact OD1-ND2 2.86Å; D1345-N1347 WeakPolarHBondContact OD2-CB 3.45Å; D1345-N1347 PolarHBondContact OD2-N 2.68Å; D1345-N1347 PolarHBondContact OD2-ND2 3.22Å; D1345-L1348 HydrophobicContact CB-CB 4.23Å; D1345-L1348 WeakPolarHBondContact O-CB 3.41Å; D1345-L1348 PolarHBondContact O-N 3.09Å; D1345-L1348 VanDerWaalsContact O-N 3.1Å; D1345-A1349 WeakPolarHBondContact O-CB 3.3Å; D1345-A1349 PolarHBondContact O-N 3.2Å; D1345-F1551 WeakPolarHBondContact CB-O 3.3Å; D1345-F1551 PolarHBondContact N-O 3.21Å; D1345-F1551 VanDerWaalsContact N-O 3.11Å | ||
| 1346 | S | 69.8 | Low | 72 | Confident | 84.2 Ų | 84.2 | 42.9 Ų | 42.9 | 59% | 0.589 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -53.4 | -34.2 | 177 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | V1344 R1350 | V1344-S1346 PolarHBondContact O-N 3.17Å; S1346-R1350 WeakPolarHBondContact O-CB 3.27Å; S1346-R1350 PolarHBondContact O-N 3.34Å; S1346-R1350 VanDerWaalsContact O-N 3.09Å |
| 1347 | N | 69.2 | Low | 71.3 | Confident | 61.6 Ų | 61.6 | 43.1 Ų | 43.1 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.9 | -46.3 | 176.2 | -64.5 | -51.8 | 0 | 0 | 0 | 111.1 | D1345 A1349 R1350 V1351 I1558 | D1345-N1347 PolarHBondContact O-N 3.17Å; D1345-N1347 VanDerWaalsContact O-N 3.16Å; D1345-N1347 PolarHBondContact OD1-N 3.03Å; D1345-N1347 VanDerWaalsContact OD1-N 3.15Å; D1345-N1347 PolarHBondContact OD1-ND2 2.86Å; D1345-N1347 WeakPolarHBondContact OD2-CB 3.45Å; D1345-N1347 PolarHBondContact OD2-N 2.68Å; D1345-N1347 PolarHBondContact OD2-ND2 3.22Å; N1347-A1349 VanDerWaalsContact C-N 3.34Å; N1347-A1349 PolarHBondContact O-N 3.01Å; N1347-R1350 WeakPolarHBondContact O-CB 3.41Å; N1347-R1350 PolarHBondContact O-N 3Å; N1347-V1351 VanDerWaalsContact O-CG2 3.32Å; N1347-V1351 WeakPolarHBondContact O-CG2 3.35Å; N1347-V1351 PolarHBondContact O-N 3.13Å; N1347-I1558 HydrophobicContact CB-CG2 3.73Å |
| 1348 | L | 73 | Confident | 70.4 | Confident | 1.6 Ų | 1.6 | 43.4 Ų | 43.4 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 175.2 | -179.9 | 52.8 | 0 | 0 | 0 | 111.1 | L1244 Y1334 V1344 D1345 R1350 V1351 I1352 F1551 I1558 | L1244-L1348 HydrophobicContact CD2-CD1 4.5Å; Y1334-L1348 HydrophobicContact CE1-CD1 4.4Å; Y1334-L1348 HydrophobicContact CE1-CD2 4.43Å; V1344-L1348 HydrophobicContact CG1-CB 4.01Å; V1344-L1348 HydrophobicContact CG1-CD2 3.9Å; V1344-L1348 HydrophobicContact CG1-CG 3.88Å; D1345-L1348 HydrophobicContact CB-CB 4.23Å; D1345-L1348 WeakPolarHBondContact O-CB 3.41Å; D1345-L1348 PolarHBondContact O-N 3.09Å; D1345-L1348 VanDerWaalsContact O-N 3.1Å; L1348-R1350 VanDerWaalsContact C-N 3.33Å; L1348-R1350 PolarHBondContact O-N 3.13Å; L1348-V1351 PolarHBondContact O-N 3.12Å; L1348-I1352 HydrophobicContact CD1-CD1 3.74Å; L1348-I1352 HydrophobicContact CD1-CG1 3.9Å; L1348-I1352 HydrophobicContact CD2-CD1 4.47Å; L1348-I1352 HydrophobicContact CG-CD1 3.77Å; L1348-I1352 HydrophobicContact CG-CG1 4.35Å; L1348-I1352 WeakPolarHBondContact O-CB 3.4Å; L1348-I1352 VanDerWaalsContact O-CG1 3.28Å; L1348-I1352 WeakPolarHBondContact O-CG1 3.35Å; L1348-I1352 PolarHBondContact O-N 3.25Å; L1348-F1551 HydrophobicContact CD2-CD1 3.75Å; L1348-F1551 HydrophobicContact CD2-CE1 4.11Å; L1348-I1558 HydrophobicContact CB-CD1 3.97Å; L1348-I1558 HydrophobicContact CD1-CD1 3.66Å; L1348-I1558 HydrophobicContact CD1-CG1 4.25Å; L1348-I1558 HydrophobicContact CD2-CD1 4.36Å; L1348-I1558 HydrophobicContact CG-CD1 4.18Å |
| 1349 | A | 72.1 | Confident | 69.6 | Low | 11.2 Ų | 11.2 | 43.5 Ų | 43.5 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.5 | -45.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1344 D1345 N1347 N1353 T1389 | V1344-A1349 HydrophobicContact CG1-CB 4.29Å; D1345-A1349 WeakPolarHBondContact O-CB 3.3Å; D1345-A1349 PolarHBondContact O-N 3.2Å; N1347-A1349 VanDerWaalsContact C-N 3.34Å; N1347-A1349 PolarHBondContact O-N 3.01Å; A1349-N1353 WeakPolarHBondContact O-CB 3.29Å; A1349-N1353 VanDerWaalsContact O-CG 3.29Å; A1349-N1353 PolarHBondContact O-N 3.16Å; A1349-N1353 VanDerWaalsContact O-N 3.09Å; A1349-N1353 PolarHBondContact O-ND2 3.06Å; A1349-N1353 PolarHBondContact O-OD1 3.04Å; A1349-T1389 HydrophobicContact CB-CG2 3.49Å; A1349-T1389 VanDerWaalsContact CB-CG2 3.41Å |
| 1350 | R | 72 | Confident | 68.8 | Low | 119.6 Ų | 119.6 | 45.9 Ų | 45.9 | 45% | 0.451 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 175.8 | -176.1 | -179.2 | -142.7 | 172.1 | 1.5 | 111.5 | S1346 N1347 L1348 I1352 N1353 V1354 D1565 | S1346-R1350 WeakPolarHBondContact O-CB 3.27Å; S1346-R1350 PolarHBondContact O-N 3.34Å; S1346-R1350 VanDerWaalsContact O-N 3.09Å; N1347-R1350 WeakPolarHBondContact O-CB 3.41Å; N1347-R1350 PolarHBondContact O-N 3Å; L1348-R1350 VanDerWaalsContact C-N 3.33Å; L1348-R1350 PolarHBondContact O-N 3.13Å; R1350-I1352 PolarHBondContact O-N 3.04Å; R1350-N1353 PolarHBondContact O-N 3.34Å; R1350-V1354 HydrophobicContact CG-CG2 4.46Å; R1350-V1354 WeakPolarHBondContact O-CB 3.31Å; R1350-V1354 VanDerWaalsContact O-CG2 3.31Å; R1350-V1354 WeakPolarHBondContact O-CG2 3.38Å; R1350-V1354 PolarHBondContact O-N 3.1Å; R1350-D1565 IonicContact CZ-OD2 3.63Å; R1350-D1565 VanDerWaalsContact CZ-OD2 3.27Å; R1350-D1565 IonicContact NE-OD2 3.31Å; R1350-D1565 PolarHBondContact NE-OD2 3.04Å; R1350-D1565 IonicContact NH2-OD2 2.68Å; R1350-D1565 PolarHBondContact NH2-OD2 3.13Å |
| 1351 | V | 72.9 | Confident | 67.7 | Low | 9.6 Ų | 9.6 | 47.9 Ų | 47.9 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | -177.9 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | N1347 L1348 N1353 V1354 S1355 P1454 I1558 A1561 C1562 | N1347-V1351 VanDerWaalsContact O-CG2 3.32Å; N1347-V1351 WeakPolarHBondContact O-CG2 3.35Å; N1347-V1351 PolarHBondContact O-N 3.13Å; L1348-V1351 PolarHBondContact O-N 3.12Å; V1351-N1353 PolarHBondContact O-N 2.98Å; V1351-V1354 PolarHBondContact O-N 3.21Å; V1351-S1355 WeakPolarHBondContact O-CB 3.41Å; V1351-S1355 PolarHBondContact O-N 3.19Å; V1351-S1355 PolarHBondContact O-OG 3.31Å; V1351-S1355 VanDerWaalsContact O-OG 3.05Å; V1351-P1454 HydrophobicContact CG1-CB 3.69Å; V1351-P1454 HydrophobicContact CG1-CG 4.25Å; V1351-I1558 HydrophobicContact CG2-CG2 4.37Å; V1351-A1561 HydrophobicContact CG1-CB 4.12Å; V1351-A1561 HydrophobicContact CG2-CB 3.94Å; V1351-C1562 VanDerWaalsContact CG2-SG 3.53Å |
| 1352 | I | 74 | Confident | 66.8 | Low | 2.2 Ų | 2.2 | 51.7 Ų | 51.7 | 1% | 0.011 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 173.6 | -70.5 | 172.3 | 0 | 0 | 0 | 110.3 | F1335 A1338 L1348 R1350 V1354 S1355 H1356 T1389 T1392 A1393 M1396 | F1335-I1352 HydrophobicContact CD1-CD1 4.48Å; F1335-I1352 HydrophobicContact CD1-CG1 4.48Å; F1335-I1352 HydrophobicContact CE1-CD1 4.35Å; F1335-I1352 HydrophobicContact CE1-CG1 4.08Å; A1338-I1352 HydrophobicContact CB-CD1 4.39Å; L1348-I1352 HydrophobicContact CD1-CD1 3.74Å; L1348-I1352 HydrophobicContact CD1-CG1 3.9Å; L1348-I1352 HydrophobicContact CD2-CD1 4.47Å; L1348-I1352 HydrophobicContact CG-CD1 3.77Å; L1348-I1352 HydrophobicContact CG-CG1 4.35Å; L1348-I1352 WeakPolarHBondContact O-CB 3.4Å; L1348-I1352 VanDerWaalsContact O-CG1 3.28Å; L1348-I1352 WeakPolarHBondContact O-CG1 3.35Å; L1348-I1352 PolarHBondContact O-N 3.25Å; R1350-I1352 PolarHBondContact O-N 3.04Å; I1352-V1354 VanDerWaalsContact C-N 3.34Å; I1352-V1354 PolarHBondContact O-N 3.19Å; I1352-S1355 WeakPolarHBondContact CA-OG 3.39Å; I1352-S1355 PolarHBondContact O-N 3.31Å; I1352-S1355 PolarHBondContact O-OG 3.06Å; I1352-S1355 VanDerWaalsContact O-OG 3.1Å; I1352-H1356 VanDerWaalsContact O-CB 3.29Å; I1352-H1356 WeakPolarHBondContact O-CB 3.29Å; I1352-H1356 PolarHBondContact O-N 3.19Å; I1352-T1389 HydrophobicContact CB-CG2 4.42Å; I1352-T1389 HydrophobicContact CD1-CG2 4.26Å; I1352-T1389 HydrophobicContact CG2-CG2 4.15Å; I1352-T1392 HydrophobicContact CG2-CG2 3.57Å; I1352-A1393 HydrophobicContact CD1-CB 4.47Å; I1352-A1393 HydrophobicContact CG2-CB 4.35Å; I1352-M1396 HydrophobicContact CB-CE 4.29Å; I1352-M1396 HydrophobicContact CG2-CE 3.65Å; I1352-M1396 HydrophobicContact CG2-SD 4.21Å; I1352-M1396 WeakPolarHBondContact O-CE 3.29Å |
| 1353 | N | 73.6 | Confident | 66.1 | Low | 43.8 Ų | 43.8 | 46.8 Ų | 46.8 | 23% | 0.234 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | -179.6 | -71.9 | -26 | 0 | 0 | 0 | 112.4 | A1349 R1350 V1351 G1357 T1389 T1392 | A1349-N1353 WeakPolarHBondContact O-CB 3.29Å; A1349-N1353 VanDerWaalsContact O-CG 3.29Å; A1349-N1353 PolarHBondContact O-N 3.16Å; A1349-N1353 VanDerWaalsContact O-N 3.09Å; A1349-N1353 PolarHBondContact O-ND2 3.06Å; A1349-N1353 PolarHBondContact O-OD1 3.04Å; R1350-N1353 PolarHBondContact O-N 3.34Å; V1351-N1353 PolarHBondContact O-N 2.98Å; N1353-G1357 PolarHBondContact O-N 2.93Å; N1353-G1357 VanDerWaalsContact O-N 3.13Å; N1353-T1389 VanDerWaalsContact CG-OG1 3.28Å; N1353-T1389 VanDerWaalsContact ND2-CG2 3.34Å; N1353-T1389 WeakPolarHBondContact ND2-CG2 3.35Å; N1353-T1389 PolarHBondContact ND2-OG1 3.45Å; N1353-T1389 WeakPolarHBondContact OD1-CA 3.22Å; N1353-T1389 PolarHBondContact OD1-OG1 2.89Å; N1353-T1392 PolarHBondContact OD1-OG1 2.87Å |
| 1354 | V | 69.5 | Low | 65.2 | Low | 43.6 Ų | 43.6 | 47.8 Ų | 47.8 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | R1350 V1351 I1352 H1356 G1357 V1358 T1458 | R1350-V1354 HydrophobicContact CG-CG2 4.46Å; R1350-V1354 WeakPolarHBondContact O-CB 3.31Å; R1350-V1354 VanDerWaalsContact O-CG2 3.31Å; R1350-V1354 WeakPolarHBondContact O-CG2 3.38Å; R1350-V1354 PolarHBondContact O-N 3.1Å; V1351-V1354 PolarHBondContact O-N 3.21Å; I1352-V1354 VanDerWaalsContact C-N 3.34Å; I1352-V1354 PolarHBondContact O-N 3.19Å; V1354-H1356 VanDerWaalsContact C-N 3.35Å; V1354-H1356 PolarHBondContact O-N 3.31Å; V1354-G1357 PolarHBondContact O-N 3.08Å; V1354-V1358 WeakPolarHBondContact O-CG2 3.22Å; V1354-V1358 PolarHBondContact O-N 3.05Å; V1354-T1458 HydrophobicContact CG1-CG2 3.9Å |
| 1355 | S | 69.8 | Low | 64.4 | Low | 4.4 Ų | 4.4 | 51.7 Ų | 51.7 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 178.3 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | V1351 I1352 G1357 V1358 A1359 M1396 | V1351-S1355 WeakPolarHBondContact O-CB 3.41Å; V1351-S1355 PolarHBondContact O-N 3.19Å; V1351-S1355 PolarHBondContact O-OG 3.31Å; V1351-S1355 VanDerWaalsContact O-OG 3.05Å; I1352-S1355 WeakPolarHBondContact CA-OG 3.39Å; I1352-S1355 PolarHBondContact O-N 3.31Å; I1352-S1355 PolarHBondContact O-OG 3.06Å; I1352-S1355 VanDerWaalsContact O-OG 3.1Å; S1355-G1357 PolarHBondContact O-N 2.93Å; S1355-V1358 PolarHBondContact O-N 3.03Å; S1355-A1359 VanDerWaalsContact O-CB 3.26Å; S1355-A1359 WeakPolarHBondContact O-CB 3.4Å; S1355-A1359 PolarHBondContact O-N 2.89Å; S1355-M1396 VanDerWaalsContact OG-CE 3.26Å; S1355-M1396 WeakPolarHBondContact OG-CE 3.4Å |
| 1356 | H | 69 | Low | 63.4 | Low | 35.4 Ų | 35.4 | 53 Ų | 53 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 176.7 | -174.6 | -94.6 | 0 | 0 | 0 | 112 | I1352 V1354 V1358 A1359 S1360 T1392 M1396 | I1352-H1356 VanDerWaalsContact O-CB 3.29Å; I1352-H1356 WeakPolarHBondContact O-CB 3.29Å; I1352-H1356 PolarHBondContact O-N 3.19Å; V1354-H1356 VanDerWaalsContact C-N 3.35Å; V1354-H1356 PolarHBondContact O-N 3.31Å; H1356-V1358 PolarHBondContact O-N 3.38Å; H1356-V1358 VanDerWaalsContact O-N 3.16Å; H1356-A1359 PolarHBondContact O-N 3.25Å; H1356-S1360 VanDerWaalsContact O-CB 3.29Å; H1356-S1360 WeakPolarHBondContact O-CB 3.33Å; H1356-S1360 PolarHBondContact O-N 3.16Å; H1356-T1392 HydrophobicContact CB-CG2 4.17Å; H1356-T1392 VanDerWaalsContact CG-CG2 3.47Å; H1356-M1396 HydrophobicContact CB-CE 3.57Å; H1356-M1396 VanDerWaalsContact CB-CE 3.46Å; H1356-M1396 HydrophobicContact CB-CG 4.38Å; H1356-M1396 HydrophobicContact CB-SD 4.41Å; H1356-M1396 VanDerWaalsContact N-CE 3.29Å |
| 1357 | G | 65.8 | Low | 61.9 | Low | 45.8 Ų | 45.8 | 50.6 Ų | 50.6 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58 | -29.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1353 V1354 S1355 | N1353-G1357 PolarHBondContact O-N 2.93Å; N1353-G1357 VanDerWaalsContact O-N 3.13Å; V1354-G1357 PolarHBondContact O-N 3.08Å; S1355-G1357 PolarHBondContact O-N 2.93Å |
| 1358 | V | 60.9 | Low | 60.6 | Low | 49 Ų | 49 | 54.9 Ų | 54.9 | 30% | 0.297 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -91.7 | -39.4 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | V1354 S1355 H1356 S1360 K1361 R1362 V1457 | V1354-V1358 WeakPolarHBondContact O-CG2 3.22Å; V1354-V1358 PolarHBondContact O-N 3.05Å; S1355-V1358 PolarHBondContact O-N 3.03Å; H1356-V1358 PolarHBondContact O-N 3.38Å; H1356-V1358 VanDerWaalsContact O-N 3.16Å; V1358-S1360 VanDerWaalsContact C-N 3.32Å; V1358-S1360 PolarHBondContact O-N 3.23Å; V1358-K1361 WeakPolarHBondContact O-CB 3.26Å; V1358-K1361 PolarHBondContact O-N 3.05Å; V1358-K1361 VanDerWaalsContact O-N 3.11Å; V1358-R1362 PolarHBondContact O-N 3.07Å; V1358-V1457 HydrophobicContact CB-CG1 3.7Å; V1358-V1457 HydrophobicContact CG1-CG1 3.42Å; V1358-V1457 VanDerWaalsContact CG1-CG1 3.46Å; V1358-V1457 HydrophobicContact CG2-CG1 3.79Å |
| 1359 | A | 60.2 | Low | 58.7 | Low | 3.2 Ų | 3.2 | 60 Ų | 60 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1355 H1356 K1361 R1362 Q1363 Y1452 | S1355-A1359 VanDerWaalsContact O-CB 3.26Å; S1355-A1359 WeakPolarHBondContact O-CB 3.4Å; S1355-A1359 PolarHBondContact O-N 2.89Å; H1356-A1359 PolarHBondContact O-N 3.25Å; A1359-K1361 VanDerWaalsContact C-N 3.26Å; A1359-K1361 PolarHBondContact O-N 3.02Å; A1359-R1362 WeakPolarHBondContact O-CB 3.25Å; A1359-R1362 PolarHBondContact O-N 3.07Å; A1359-R1362 VanDerWaalsContact O-N 3.08Å; A1359-Q1363 PolarHBondContact O-N 3.22Å; A1359-Q1363 VanDerWaalsContact O-N 3.09Å; A1359-Y1452 HydrophobicContact CB-CD1 4.3Å; A1359-Y1452 HydrophobicContact CB-CE1 3.78Å; A1359-Y1452 HydrophobicContact CB-CE2 4.2Å |
| 1360 | S | 60.1 | Low | 56.8 | Low | 58.4 Ų | 58.4 | 62 Ų | 62 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.8 | -38.1 | 175 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | H1356 V1358 R1362 Q1363 S1364 | H1356-S1360 VanDerWaalsContact O-CB 3.29Å; H1356-S1360 WeakPolarHBondContact O-CB 3.33Å; H1356-S1360 PolarHBondContact O-N 3.16Å; V1358-S1360 VanDerWaalsContact C-N 3.32Å; V1358-S1360 PolarHBondContact O-N 3.23Å; S1360-R1362 VanDerWaalsContact C-N 3.31Å; S1360-R1362 PolarHBondContact O-N 3.07Å; S1360-Q1363 PolarHBondContact O-N 3.32Å; S1360-S1364 PolarHBondContact O-N 2.88Å |
| 1361 | K | 55.1 | Low | 54.9 | Low | 173.8 Ų | 173.8 | 63.6 Ų | 63.6 | 76% | 0.756 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.5 | -20.9 | 177.9 | -147.6 | 165.3 | -176.3 | 175.1 | 0 | 113.8 | V1358 A1359 S1364 | V1358-K1361 WeakPolarHBondContact O-CB 3.26Å; V1358-K1361 PolarHBondContact O-N 3.05Å; V1358-K1361 VanDerWaalsContact O-N 3.11Å; A1359-K1361 VanDerWaalsContact C-N 3.26Å; A1359-K1361 PolarHBondContact O-N 3.02Å; K1361-S1364 PolarHBondContact O-OG 2.92Å |
| 1362 | R | 51.2 | Low | 53 | Low | 98.8 Ų | 98.8 | 70.3 Ų | 70.3 | 37% | 0.373 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -86.1 | -38.1 | 172.7 | -72.9 | -177.1 | 172.5 | -175.8 | -4.7 | 112.1 | V1358 A1359 S1360 S1364 S1365 | V1358-R1362 PolarHBondContact O-N 3.07Å; A1359-R1362 WeakPolarHBondContact O-CB 3.25Å; A1359-R1362 PolarHBondContact O-N 3.07Å; A1359-R1362 VanDerWaalsContact O-N 3.08Å; S1360-R1362 VanDerWaalsContact C-N 3.31Å; S1360-R1362 PolarHBondContact O-N 3.07Å; R1362-S1364 VanDerWaalsContact C-N 3.3Å; R1362-S1364 PolarHBondContact O-N 3.15Å; R1362-S1365 PolarHBondContact O-N 3.12Å; R1362-S1365 VanDerWaalsContact O-N 3.11Å; R1362-S1365 PolarHBondContact O-OG 3.24Å |
| 1363 | Q | 50.5 | Low | 51.3 | Low | 17.4 Ų | 17.4 | 75.9 Ų | 75.9 | 8% | 0.081 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.5 | -25.9 | -175.3 | -80.8 | -166.1 | -48.5 | 0 | 0 | 114.6 | A1359 S1360 S1365 I1366 S1367 N1399 Y1452 | A1359-Q1363 PolarHBondContact O-N 3.22Å; A1359-Q1363 VanDerWaalsContact O-N 3.09Å; S1360-Q1363 PolarHBondContact O-N 3.32Å; Q1363-S1365 PolarHBondContact O-N 3.14Å; Q1363-I1366 PolarHBondContact O-N 3.14Å; Q1363-S1367 PolarHBondContact O-N 3.24Å; Q1363-S1367 VanDerWaalsContact O-N 3.15Å; Q1363-S1367 PolarHBondContact O-OG 3.49Å; Q1363-N1399 VanDerWaalsContact CD-CG 3.44Å; Q1363-N1399 VanDerWaalsContact NE2-CB 3.29Å; Q1363-N1399 VanDerWaalsContact NE2-CG 3.33Å; Q1363-N1399 PolarHBondContact NE2-OD1 3.18Å; Q1363-N1399 VanDerWaalsContact OE1-CG 3.24Å; Q1363-N1399 PolarHBondContact OE1-ND2 3Å; Q1363-N1399 PolarHBondContact OE1-OD1 2.84Å; Q1363-N1399 VanDerWaalsContact OE1-OD1 3.07Å; Q1363-Y1452 VanDerWaalsContact CG-OH 3.31Å; Q1363-Y1452 WeakPolarHBondContact CG-OH 3.48Å; Q1363-Y1452 PolarHBondContact NE2-OH 3.43Å; Q1363-Y1452 PolarHBondContact OE1-OH 3.07Å |
| 1364 | S | 48 | Very low | 49.4 | Very low | 91.8 Ų | 91.8 | 81.7 Ų | 81.7 | 64% | 0.642 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12.4 | 174.2 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | S1360 K1361 R1362 | S1360-S1364 PolarHBondContact O-N 2.88Å; K1361-S1364 PolarHBondContact O-OG 2.92Å; R1362-S1364 VanDerWaalsContact C-N 3.3Å; R1362-S1364 PolarHBondContact O-N 3.15Å |
| 1365 | S | 48.3 | Very low | 47.7 | Very low | 100.6 Ų | 100.6 | 87.9 Ų | 87.9 | 70% | 0.703 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -12.5 | 174.3 | 60.7 | 0 | 0 | 0 | 0 | 115.3 | R1362 Q1363 | R1362-S1365 PolarHBondContact O-N 3.12Å; R1362-S1365 VanDerWaalsContact O-N 3.11Å; R1362-S1365 PolarHBondContact O-OG 3.24Å; Q1363-S1365 PolarHBondContact O-N 3.14Å |
| 1366 | I | 46.4 | Very low | 45.9 | Very low | 56.6 Ų | 56.6 | 93.8 Ų | 93.8 | 29% | 0.29 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -33.9 | -169.3 | -58.8 | 173.4 | 0 | 0 | 0 | 112.7 | Q1363 T1444 A1448 | Q1363-I1366 PolarHBondContact O-N 3.14Å; I1366-T1444 HydrophobicContact CD1-CG2 3.8Å; I1366-T1444 HydrophobicContact CG1-CG2 4.22Å; I1366-A1448 HydrophobicContact CD1-CB 3.88Å |
| 1367 | S | 39.3 | Very low | 44.4 | Very low | 35.2 Ų | 35.2 | 98.9 Ų | 98.9 | 25% | 0.246 | 55% | 0.551 | C | S | . | * | trans | -110 | 123.7 | -174.8 | 169.3 | 0 | 0 | 0 | 0 | 112.7 | Q1363 C1369 S1370 | Q1363-S1367 PolarHBondContact O-N 3.24Å; Q1363-S1367 VanDerWaalsContact O-N 3.15Å; Q1363-S1367 PolarHBondContact O-OG 3.49Å; S1367-C1369 PolarHBondContact O-N 3.24Å; S1367-C1369 PolarHBondContact OG-N 3.13Å; S1367-C1369 VanDerWaalsContact OG-N 3.15Å; S1367-S1370 PolarHBondContact O-OG 2.98Å | ||
| 1368 | V | 41.9 | Very low | 43 | Very low | 150 Ų | 150 | 102.4 Ų | 102.4 | 91% | 0.909 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -12.2 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | S1370 | V1368-S1370 PolarHBondContact O-N 3.18Š|
| 1369 | C | 32.9 | Very low | 41.7 | Very low | 109.2 Ų | 109.2 | 107.4 Ų | 107.4 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 16.5 | -177.4 | -69.6 | 0 | 0 | 0 | 0 | 114.9 | S1367 N1371 | S1367-C1369 PolarHBondContact O-N 3.24Å; S1367-C1369 PolarHBondContact OG-N 3.13Å; S1367-C1369 VanDerWaalsContact OG-N 3.15Å; C1369-N1371 PolarHBondContact O-N 3.33Å; C1369-N1371 VanDerWaalsContact O-N 3.16Å |
| 1370 | S | 30.6 | Very low | 40.4 | Very low | 54.4 Ų | 54.4 | 110.6 Ų | 110.6 | 38% | 0.38 | 61% | 0.611 | S | S | . | * | trans | -80.4 | 78.9 | 178.7 | -55 | 0 | 0 | 0 | 0 | 111.8 | S1367 V1368 L1372 | S1367-S1370 PolarHBondContact O-OG 2.98Å; V1368-S1370 PolarHBondContact O-N 3.18Å; S1370-L1372 PolarHBondContact O-N 3.07Å | ||
| 1371 | N | 33.2 | Very low | 39.3 | Very low | 152.2 Ų | 152.2 | 113.2 Ų | 113.2 | 81% | 0.814 | 63% | 0.629 | S | S | * | * | trans | -63.1 | 95 | 171.1 | -74.7 | -22.7 | 0 | 0 | 0 | 110.5 | C1369 I1373 | C1369-N1371 PolarHBondContact O-N 3.33Å; C1369-N1371 VanDerWaalsContact O-N 3.16Å; N1371-I1373 PolarHBondContact O-N 3.28Å | ||
| 1372 | L | 33.3 | Very low | 38.4 | Very low | 151 Ų | 151 | 112.5 Ų | 112.5 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -64 | 92.7 | 172.5 | -89.7 | 150.6 | 0 | 0 | 0 | 110.4 | S1370 E1374 | S1370-L1372 PolarHBondContact O-N 3.07Å; L1372-E1374 VanDerWaalsContact C-N 3.25Å; L1372-E1374 HydrophobicContact CD2-CG 4.41Å; L1372-E1374 PolarHBondContact O-N 2.93Å | ||
| 1373 | I | 37.1 | Very low | 38.2 | Very low | 119.2 Ų | 119.2 | 111.5 Ų | 111.5 | 61% | 0.611 | 64% | 0.637 | S | S | * | * | trans | -78.3 | 70.7 | 171.5 | -59.3 | 177.3 | 0 | 0 | 0 | 108 | N1371 Q1375 F1395 | N1371-I1373 PolarHBondContact O-N 3.28Å; I1373-Q1375 HydrophobicContact CG2-CB 3.88Å; I1373-Q1375 PolarHBondContact O-N 3.05Å; I1373-F1395 HydrophobicContact CD1-CE1 4.16Å; I1373-F1395 HydrophobicContact CD1-CE2 4.21Å; I1373-F1395 HydrophobicContact CD1-CZ 3.92Å | ||
| 1374 | E | 33.8 | Very low | 38.4 | Very low | 165 Ų | 165 | 115.7 Ų | 115.7 | 77% | 0.771 | 66% | 0.66 | S | S | * | * | trans | -69.5 | 38.7 | 162.5 | -78.6 | -171.5 | 153.2 | 0 | 0 | 110.9 | L1372 N1376 | L1372-E1374 VanDerWaalsContact C-N 3.25Å; L1372-E1374 HydrophobicContact CD2-CG 4.41Å; L1372-E1374 PolarHBondContact O-N 2.93Å; E1374-N1376 PolarHBondContact O-N 3.08Å; E1374-N1376 VanDerWaalsContact O-N 3.15Å | ||
| 1375 | Q | 33.7 | Very low | 39.1 | Very low | 174.8 Ų | 174.8 | 115.1 Ų | 115.1 | 82% | 0.817 | 66% | 0.656 | S | S | * | * | trans | -73 | 45 | -178.3 | -68.3 | -169.3 | -17.9 | 0 | 0 | 113.6 | I1373 N1377 | I1373-Q1375 HydrophobicContact CG2-CB 3.88Å; I1373-Q1375 PolarHBondContact O-N 3.05Å; Q1375-N1377 VanDerWaalsContact C-N 3.33Å; Q1375-N1377 PolarHBondContact O-N 3.27Å | ||
| 1376 | N | 33.2 | Very low | 39.9 | Very low | 127.4 Ų | 127.4 | 114.7 Ų | 114.7 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | trans | -92.1 | 40.4 | 169.3 | -80.1 | -17.8 | 0 | 0 | 0 | 113.3 | E1374 T1378 N1379 | E1374-N1376 PolarHBondContact O-N 3.08Å; E1374-N1376 VanDerWaalsContact O-N 3.15Å; N1376-T1378 VanDerWaalsContact C-N 3.29Å; N1376-T1378 PolarHBondContact O-N 3.19Å; N1376-N1379 PolarHBondContact O-N 2.81Å | ||
| 1377 | N | 36.5 | Very low | 40.9 | Very low | 143.6 Ų | 143.6 | 117.1 Ų | 117.1 | 77% | 0.768 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 38.4 | 163.3 | -118 | -8.7 | 0 | 0 | 0 | 113.4 | Q1375 N1379 | Q1375-N1377 VanDerWaalsContact C-N 3.33Å; Q1375-N1377 PolarHBondContact O-N 3.27Å; N1377-N1379 PolarHBondContact O-N 3.49Å |
| 1378 | T | 36.3 | Very low | 42.5 | Very low | 118.2 Ų | 118.2 | 120.4 Ų | 120.4 | 73% | 0.725 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 27.6 | 166.8 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | N1376 | N1376-T1378 VanDerWaalsContact C-N 3.29Å; N1376-T1378 PolarHBondContact O-N 3.19Å |
| 1379 | N | 34 | Very low | 43.9 | Very low | 155.6 Ų | 155.6 | 113.4 Ų | 113.4 | 83% | 0.832 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -165.8 | 36.1 | 172.6 | -80 | -33.4 | 0 | 0 | 0 | 115.8 | N1376 N1377 | N1376-N1379 PolarHBondContact O-N 2.81Å; N1377-N1379 PolarHBondContact O-N 3.49Å |
| 1380 | S | 34.2 | Very low | 45.9 | Very low | 69.8 Ų | 69.8 | 110.7 Ų | 110.7 | 49% | 0.488 | 60% | 0.599 | S | S | . | * | trans | -129 | 81.7 | 167.7 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | L1382 | S1380-L1382 VanDerWaalsContact C-N 3.31Å; S1380-L1382 PolarHBondContact O-N 3.21Å | ||
| 1381 | S | 36.9 | Very low | 48 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 78% | 0.783 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -84.1 | 55.4 | 164 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1382 | L | 35.1 | Very low | 50.2 | Low | 160.6 Ų | 160.6 | 107.1 Ų | 107.1 | 84% | 0.841 | 57% | 0.573 | S | S | * | * | trans | 170.4 | 30.2 | -172.2 | -82.2 | 111.7 | 0 | 0 | 0 | 115.9 | S1380 N1384 | S1380-L1382 VanDerWaalsContact C-N 3.31Å; S1380-L1382 PolarHBondContact O-N 3.21Å; L1382-N1384 PolarHBondContact O-N 3.17Å | ||
| 1383 | T | 46.6 | Very low | 52.4 | Low | 76.4 Ų | 76.4 | 99.9 Ų | 99.9 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | trans | -85.8 | 123.4 | 164.4 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | S1385 | T1383-S1385 PolarHBondContact O-N 3.41Š| ||
| 1384 | N | 56.1 | Low | 54.5 | Low | 105.2 Ų | 105.2 | 97.3 Ų | 97.3 | 56% | 0.563 | 52% | 0.523 | S | S | * | . | trans | -58.6 | 135.4 | 176.1 | -74.2 | -16.8 | 0 | 0 | 0 | 109.8 | L1382 E1386 Q1387 Q1388 | L1382-N1384 PolarHBondContact O-N 3.17Å; N1384-E1386 PolarHBondContact O-N 3.21Å; N1384-Q1387 HydrophobicContact CB-CG 4.41Å; N1384-Q1387 PolarHBondContact O-N 3.1Å; N1384-Q1387 VanDerWaalsContact O-N 3.11Å; N1384-Q1388 PolarHBondContact O-N 3.22Å | ||
| 1385 | S | 62 | Low | 56.7 | Low | 80 Ų | 80 | 93 Ų | 93 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -49.1 | -33.1 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | T1383 Q1388 T1389 | T1383-S1385 PolarHBondContact O-N 3.41Å; S1385-Q1388 WeakPolarHBondContact O-CB 3.46Å; S1385-Q1388 PolarHBondContact O-N 3.08Å; S1385-T1389 VanDerWaalsContact O-CG2 3.25Å; S1385-T1389 WeakPolarHBondContact O-CG2 3.33Å; S1385-T1389 PolarHBondContact O-N 3.15Å; S1385-T1389 VanDerWaalsContact O-N 3.14Å; S1385-T1389 PolarHBondContact O-OG1 3.44Å |
| 1386 | E | 64.3 | Low | 59 | Low | 93 Ų | 93 | 84.7 Ų | 84.7 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 178.5 | -127.6 | 162.8 | -166.6 | 0 | 0 | 113 | T1342 T1343 V1344 N1384 Q1388 T1389 Q1390 | T1342-E1386 VanDerWaalsContact O-OE1 3.13Å; T1343-E1386 WeakPolarHBondContact CA-OE1 3.44Å; V1344-E1386 PolarHBondContact N-OE1 3.03Å; N1384-E1386 PolarHBondContact O-N 3.21Å; E1386-Q1388 VanDerWaalsContact C-N 3.29Å; E1386-Q1388 PolarHBondContact O-N 3.14Å; E1386-T1389 WeakPolarHBondContact CA-OG1 3.13Å; E1386-T1389 PolarHBondContact O-N 3.05Å; E1386-T1389 VanDerWaalsContact O-N 3.12Å; E1386-T1389 PolarHBondContact O-OG1 3.15Å; E1386-Q1390 WeakPolarHBondContact O-CG 3.31Å; E1386-Q1390 PolarHBondContact O-N 2.94Å |
| 1387 | Q | 68.9 | Low | 61.4 | Low | 106.4 Ų | 106.4 | 80.2 Ų | 80.2 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 175.9 | -70.7 | -179.4 | -25.5 | 0 | 0 | 111.5 | N1384 T1389 Q1390 M1391 | N1384-Q1387 HydrophobicContact CB-CG 4.41Å; N1384-Q1387 PolarHBondContact O-N 3.1Å; N1384-Q1387 VanDerWaalsContact O-N 3.11Å; Q1387-T1389 VanDerWaalsContact C-N 3.32Å; Q1387-T1389 PolarHBondContact O-N 3.08Å; Q1387-Q1390 PolarHBondContact O-N 2.9Å; Q1387-M1391 WeakPolarHBondContact O-CB 3.24Å; Q1387-M1391 WeakPolarHBondContact O-CG 3.45Å; Q1387-M1391 PolarHBondContact O-N 3.03Å; Q1387-M1391 VanDerWaalsContact O-N 3.08Å |
| 1388 | Q | 71.3 | Confident | 63.6 | Low | 104.6 Ų | 104.6 | 79 Ų | 79 | 49% | 0.489 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 174.3 | -172.6 | 174.7 | 6.5 | 0 | 0 | 111.2 | N1384 S1385 E1386 M1391 T1392 | N1384-Q1388 PolarHBondContact O-N 3.22Å; S1385-Q1388 WeakPolarHBondContact O-CB 3.46Å; S1385-Q1388 PolarHBondContact O-N 3.08Å; E1386-Q1388 VanDerWaalsContact C-N 3.29Å; E1386-Q1388 PolarHBondContact O-N 3.14Å; Q1388-M1391 PolarHBondContact O-N 3Å; Q1388-T1392 VanDerWaalsContact O-CB 3.3Å; Q1388-T1392 WeakPolarHBondContact O-CB 3.38Å; Q1388-T1392 VanDerWaalsContact O-CG2 3.3Å; Q1388-T1392 WeakPolarHBondContact O-CG2 3.36Å; Q1388-T1392 PolarHBondContact O-N 2.93Å; Q1388-T1392 PolarHBondContact O-OG1 3.19Å; Q1388-T1392 VanDerWaalsContact O-OG1 3.11Å |
| 1389 | T | 71.2 | Confident | 65.9 | Low | 2.4 Ų | 2.4 | 74.7 Ų | 74.7 | 2% | 0.015 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 178.1 | 48.5 | 0 | 0 | 0 | 0 | 112.7 | V1344 A1349 I1352 N1353 S1385 E1386 Q1387 M1391 T1392 A1393 | V1344-T1389 HydrophobicContact CG1-CG2 4.21Å; A1349-T1389 HydrophobicContact CB-CG2 3.49Å; A1349-T1389 VanDerWaalsContact CB-CG2 3.41Å; I1352-T1389 HydrophobicContact CB-CG2 4.42Å; I1352-T1389 HydrophobicContact CD1-CG2 4.26Å; I1352-T1389 HydrophobicContact CG2-CG2 4.15Å; N1353-T1389 VanDerWaalsContact CG-OG1 3.28Å; N1353-T1389 VanDerWaalsContact ND2-CG2 3.34Å; N1353-T1389 WeakPolarHBondContact ND2-CG2 3.35Å; N1353-T1389 PolarHBondContact ND2-OG1 3.45Å; N1353-T1389 WeakPolarHBondContact OD1-CA 3.22Å; N1353-T1389 PolarHBondContact OD1-OG1 2.89Å; S1385-T1389 VanDerWaalsContact O-CG2 3.25Å; S1385-T1389 WeakPolarHBondContact O-CG2 3.33Å; S1385-T1389 PolarHBondContact O-N 3.15Å; S1385-T1389 VanDerWaalsContact O-N 3.14Å; S1385-T1389 PolarHBondContact O-OG1 3.44Å; E1386-T1389 WeakPolarHBondContact CA-OG1 3.13Å; E1386-T1389 PolarHBondContact O-N 3.05Å; E1386-T1389 VanDerWaalsContact O-N 3.12Å; E1386-T1389 PolarHBondContact O-OG1 3.15Å; Q1387-T1389 VanDerWaalsContact C-N 3.32Å; Q1387-T1389 PolarHBondContact O-N 3.08Å; T1389-M1391 VanDerWaalsContact C-N 3.32Å; T1389-M1391 PolarHBondContact O-N 3.12Å; T1389-T1392 VanDerWaalsContact CA-OG1 3.32Å; T1389-T1392 WeakPolarHBondContact CA-OG1 3.38Å; T1389-T1392 PolarHBondContact O-N 3.22Å; T1389-T1392 PolarHBondContact O-OG1 3.36Å; T1389-A1393 VanDerWaalsContact O-CB 3.3Å; T1389-A1393 WeakPolarHBondContact O-CB 3.4Å; T1389-A1393 PolarHBondContact O-N 3.06Å |
| 1390 | Q | 76.1 | Confident | 68.3 | Low | 53.8 Ų | 53.8 | 67.3 Ų | 67.3 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175 | -71.7 | 171.7 | -17.9 | 0 | 0 | 111.5 | A1339 S1341 E1386 Q1387 N1394 | A1339-Q1390 WeakPolarHBondContact CB-O 3.45Å; S1341-Q1390 PolarHBondContact O-NE2 3.3Å; E1386-Q1390 WeakPolarHBondContact O-CG 3.31Å; E1386-Q1390 PolarHBondContact O-N 2.94Å; Q1387-Q1390 PolarHBondContact O-N 2.9Å; Q1390-N1394 PolarHBondContact O-N 2.99Å; Q1390-N1394 VanDerWaalsContact O-N 3.09Å; Q1390-N1394 PolarHBondContact O-ND2 2.91Å; Q1390-N1394 VanDerWaalsContact O-ND2 3.1Å |
| 1391 | M | 75.2 | Confident | 70.8 | Confident | 116.2 Ų | 116.2 | 65.2 Ų | 65.2 | 57% | 0.572 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.3 | -44.4 | 176 | -130.2 | -176.4 | -134.6 | 0 | 0 | 111.7 | Q1387 Q1388 T1389 A1393 N1394 F1395 | Q1387-M1391 WeakPolarHBondContact O-CB 3.24Å; Q1387-M1391 WeakPolarHBondContact O-CG 3.45Å; Q1387-M1391 PolarHBondContact O-N 3.03Å; Q1387-M1391 VanDerWaalsContact O-N 3.08Å; Q1388-M1391 PolarHBondContact O-N 3Å; T1389-M1391 VanDerWaalsContact C-N 3.32Å; T1389-M1391 PolarHBondContact O-N 3.12Å; M1391-A1393 PolarHBondContact O-N 3.25Å; M1391-N1394 WeakPolarHBondContact O-CB 3.22Å; M1391-N1394 PolarHBondContact O-N 3.1Å; M1391-F1395 HydrophobicContact CB-CE2 4.49Å; M1391-F1395 HydrophobicContact CE-CE2 3.99Å; M1391-F1395 HydrophobicContact CE-CZ 4.22Å; M1391-F1395 HydrophobicContact CG-CD2 4.09Å; M1391-F1395 HydrophobicContact CG-CE2 3.68Å; M1391-F1395 VanDerWaalsContact O-CD2 3.24Å; M1391-F1395 WeakPolarHBondContact O-CD2 3.35Å; M1391-F1395 PolarHBondContact O-N 3.23Å; M1391-F1395 HydrophobicContact SD-CE2 4.16Å |
| 1392 | T | 77.5 | Confident | 73.1 | Confident | 13.8 Ų | 13.8 | 61.5 Ų | 61.5 | 9% | 0.085 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 177.9 | 36.7 | 0 | 0 | 0 | 0 | 112.6 | I1352 N1353 H1356 Q1388 T1389 N1394 F1395 M1396 | I1352-T1392 HydrophobicContact CG2-CG2 3.57Å; N1353-T1392 PolarHBondContact OD1-OG1 2.87Å; H1356-T1392 HydrophobicContact CB-CG2 4.17Å; H1356-T1392 VanDerWaalsContact CG-CG2 3.47Å; Q1388-T1392 VanDerWaalsContact O-CB 3.3Å; Q1388-T1392 WeakPolarHBondContact O-CB 3.38Å; Q1388-T1392 VanDerWaalsContact O-CG2 3.3Å; Q1388-T1392 WeakPolarHBondContact O-CG2 3.36Å; Q1388-T1392 PolarHBondContact O-N 2.93Å; Q1388-T1392 PolarHBondContact O-OG1 3.19Å; Q1388-T1392 VanDerWaalsContact O-OG1 3.11Å; T1389-T1392 VanDerWaalsContact CA-OG1 3.32Å; T1389-T1392 WeakPolarHBondContact CA-OG1 3.38Å; T1389-T1392 PolarHBondContact O-N 3.22Å; T1389-T1392 PolarHBondContact O-OG1 3.36Å; T1392-N1394 VanDerWaalsContact C-N 3.35Å; T1392-N1394 PolarHBondContact O-N 2.92Å; T1392-F1395 PolarHBondContact O-N 3.09Å; T1392-M1396 HydrophobicContact CG2-SD 4.45Å; T1392-M1396 WeakPolarHBondContact O-CG 3.44Å; T1392-M1396 PolarHBondContact O-N 3.23Å |
| 1393 | A | 79.9 | Confident | 75.5 | Confident | 0.8 Ų | 0.8 | 54.2 Ų | 54.2 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A1338 A1339 I1352 T1389 M1391 F1395 M1396 H1397 | A1338-A1393 HydrophobicContact CB-CB 4.44Å; A1339-A1393 HydrophobicContact CB-CB 3.87Å; I1352-A1393 HydrophobicContact CD1-CB 4.47Å; I1352-A1393 HydrophobicContact CG2-CB 4.35Å; T1389-A1393 VanDerWaalsContact O-CB 3.3Å; T1389-A1393 WeakPolarHBondContact O-CB 3.4Å; T1389-A1393 PolarHBondContact O-N 3.06Å; M1391-A1393 PolarHBondContact O-N 3.25Å; A1393-F1395 PolarHBondContact O-N 3.05Å; A1393-M1396 WeakPolarHBondContact O-CB 3.32Å; A1393-M1396 PolarHBondContact O-N 2.99Å; A1393-H1397 WeakPolarHBondContact O-CB 3.47Å; A1393-H1397 PolarHBondContact O-N 3.16Å |
| 1394 | N | 81.5 | Confident | 77.4 | Confident | 64.2 Ų | 64.2 | 50.5 Ų | 50.5 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 172.8 | -86.4 | -36.3 | 0 | 0 | 0 | 112.6 | A1339 Q1390 M1391 T1392 H1397 Q1398 | A1339-N1394 HydrophobicContact CB-CB 4.36Å; A1339-N1394 VanDerWaalsContact CB-CG 3.43Å; A1339-N1394 WeakPolarHBondContact CB-OD1 3.37Å; Q1390-N1394 PolarHBondContact O-N 2.99Å; Q1390-N1394 VanDerWaalsContact O-N 3.09Å; Q1390-N1394 PolarHBondContact O-ND2 2.91Å; Q1390-N1394 VanDerWaalsContact O-ND2 3.1Å; M1391-N1394 WeakPolarHBondContact O-CB 3.22Å; M1391-N1394 PolarHBondContact O-N 3.1Å; T1392-N1394 VanDerWaalsContact C-N 3.35Å; T1392-N1394 PolarHBondContact O-N 2.92Å; N1394-H1397 WeakPolarHBondContact O-CB 3.36Å; N1394-H1397 PolarHBondContact O-N 3.22Å; N1394-Q1398 WeakPolarHBondContact O-CG 3.39Å; N1394-Q1398 PolarHBondContact O-N 3.29Å; N1394-Q1398 VanDerWaalsContact O-N 3.09Å |
| 1395 | F | 80.9 | Confident | 78.8 | Confident | 75.2 Ų | 75.2 | 49.6 Ų | 49.6 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 174.7 | -78.9 | -63.7 | 0 | 0 | 0 | 112 | I1373 M1391 T1392 A1393 H1397 Q1398 N1399 | I1373-F1395 HydrophobicContact CD1-CE1 4.16Å; I1373-F1395 HydrophobicContact CD1-CE2 4.21Å; I1373-F1395 HydrophobicContact CD1-CZ 3.92Å; M1391-F1395 HydrophobicContact CB-CE2 4.49Å; M1391-F1395 HydrophobicContact CE-CE2 3.99Å; M1391-F1395 HydrophobicContact CE-CZ 4.22Å; M1391-F1395 HydrophobicContact CG-CD2 4.09Å; M1391-F1395 HydrophobicContact CG-CE2 3.68Å; M1391-F1395 VanDerWaalsContact O-CD2 3.24Å; M1391-F1395 WeakPolarHBondContact O-CD2 3.35Å; M1391-F1395 PolarHBondContact O-N 3.23Å; M1391-F1395 HydrophobicContact SD-CE2 4.16Å; T1392-F1395 PolarHBondContact O-N 3.09Å; A1393-F1395 PolarHBondContact O-N 3.05Å; F1395-H1397 VanDerWaalsContact C-N 3.33Å; F1395-H1397 PolarHBondContact O-N 3.14Å; F1395-Q1398 PolarHBondContact O-N 3.16Å; F1395-N1399 VanDerWaalsContact O-CB 3.25Å; F1395-N1399 WeakPolarHBondContact O-CB 3.4Å; F1395-N1399 VanDerWaalsContact O-CG 3.24Å; F1395-N1399 PolarHBondContact O-N 3.04Å; F1395-N1399 PolarHBondContact O-ND2 3.14Å; F1395-N1399 VanDerWaalsContact O-ND2 3.14Å |
| 1396 | M | 81.5 | Confident | 80 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.8 | -72.7 | -172.1 | 172.8 | 0 | 0 | 112.7 | F1335 I1352 S1355 H1356 T1392 A1393 Q1398 N1399 L1400 Y1452 | F1335-M1396 HydrophobicContact CB-CB 4.49Å; F1335-M1396 HydrophobicContact CD1-SD 4.04Å; F1335-M1396 HydrophobicContact CD2-CB 4.05Å; F1335-M1396 HydrophobicContact CD2-SD 4.18Å; F1335-M1396 HydrophobicContact CE1-SD 3.68Å; F1335-M1396 VanDerWaalsContact CE1-SD 3.51Å; F1335-M1396 HydrophobicContact CE2-CB 4.38Å; F1335-M1396 HydrophobicContact CE2-SD 3.99Å; F1335-M1396 HydrophobicContact CG-CB 4.17Å; F1335-M1396 HydrophobicContact CG-SD 4.32Å; F1335-M1396 HydrophobicContact CZ-CE 4.48Å; F1335-M1396 HydrophobicContact CZ-SD 3.64Å; F1335-M1396 VanDerWaalsContact CZ-SD 3.54Å; F1335-M1396 WeakPolarHBondContact CZ-SD 3.4Å; I1352-M1396 HydrophobicContact CB-CE 4.29Å; I1352-M1396 HydrophobicContact CG2-CE 3.65Å; I1352-M1396 HydrophobicContact CG2-SD 4.21Å; I1352-M1396 WeakPolarHBondContact O-CE 3.29Å; S1355-M1396 VanDerWaalsContact OG-CE 3.26Å; S1355-M1396 WeakPolarHBondContact OG-CE 3.4Å; H1356-M1396 HydrophobicContact CB-CE 3.57Å; H1356-M1396 VanDerWaalsContact CB-CE 3.46Å; H1356-M1396 HydrophobicContact CB-CG 4.38Å; H1356-M1396 HydrophobicContact CB-SD 4.41Å; H1356-M1396 VanDerWaalsContact N-CE 3.29Å; T1392-M1396 HydrophobicContact CG2-SD 4.45Å; T1392-M1396 WeakPolarHBondContact O-CG 3.44Å; T1392-M1396 PolarHBondContact O-N 3.23Å; A1393-M1396 WeakPolarHBondContact O-CB 3.32Å; A1393-M1396 PolarHBondContact O-N 2.99Å; M1396-Q1398 VanDerWaalsContact C-N 3.35Å; M1396-Q1398 PolarHBondContact O-N 3.31Å; M1396-N1399 WeakPolarHBondContact O-CB 3.32Å; M1396-N1399 PolarHBondContact O-N 3.07Å; M1396-L1400 WeakPolarHBondContact O-CB 3.32Å; M1396-L1400 WeakPolarHBondContact O-CG 3.36Å; M1396-L1400 PolarHBondContact O-N 3.05Å; M1396-Y1452 HydrophobicContact CB-CD1 4.24Å; M1396-Y1452 HydrophobicContact CB-CE1 4.39Å; M1396-Y1452 HydrophobicContact CE-CD1 4.45Å; M1396-Y1452 HydrophobicContact CG-CD1 4.08Å; M1396-Y1452 HydrophobicContact CG-CE1 4.21Å; M1396-Y1452 HydrophobicContact SD-CD1 4.25Å |
| 1397 | H | 83.3 | Confident | 81 | Confident | 32 Ų | 32 | 43 Ų | 43 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.6 | -52.6 | 175.7 | 168.8 | 72.5 | 0 | 0 | 0 | 111.1 | Y1236 A1332 F1335 H1336 A1393 N1394 F1395 N1399 L1400 M1401 | Y1236-H1397 PolarHBondContact OH-CE1 3.42Å; A1332-H1397 PolarHBondContact O-ND1 2.97Å; F1335-H1397 HydrophobicContact CB-CB 4.31Å; H1336-H1397 AromaticContact ND1-CD2 3.75Å; H1336-H1397 AromaticContact ND1-CE1 3.48Å; H1336-H1397 PolarHBondContact ND1-CE1 2.93Å; H1336-H1397 AromaticContact ND1-NE2 3.25Å; H1336-H1397 PolarHBondContact ND1-NE2 3.12Å; A1393-H1397 WeakPolarHBondContact O-CB 3.47Å; A1393-H1397 PolarHBondContact O-N 3.16Å; N1394-H1397 WeakPolarHBondContact O-CB 3.36Å; N1394-H1397 PolarHBondContact O-N 3.22Å; F1395-H1397 VanDerWaalsContact C-N 3.33Å; F1395-H1397 PolarHBondContact O-N 3.14Å; H1397-N1399 VanDerWaalsContact C-N 3.3Å; H1397-N1399 PolarHBondContact O-N 3.16Å; H1397-L1400 PolarHBondContact O-N 2.83Å; H1397-M1401 WeakPolarHBondContact O-CG 3.26Å; H1397-M1401 PolarHBondContact O-N 3.15Å; H1397-M1401 VanDerWaalsContact O-N 3.07Å |
| 1398 | Q | 83.7 | Confident | 81.8 | Confident | 119 Ų | 119 | 38.7 Ų | 38.7 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -60 | -41.3 | 178.5 | -70 | 178.4 | -2.9 | 0 | 0 | 112.3 | N1394 F1395 M1396 M1401 S1402 | N1394-Q1398 WeakPolarHBondContact O-CG 3.39Å; N1394-Q1398 PolarHBondContact O-N 3.29Å; N1394-Q1398 VanDerWaalsContact O-N 3.09Å; F1395-Q1398 PolarHBondContact O-N 3.16Å; M1396-Q1398 VanDerWaalsContact C-N 3.35Å; M1396-Q1398 PolarHBondContact O-N 3.31Å; Q1398-M1401 PolarHBondContact O-N 3.16Å; Q1398-S1402 WeakPolarHBondContact O-CB 3.24Å; Q1398-S1402 PolarHBondContact O-N 3.14Å; Q1398-S1402 PolarHBondContact O-OG 2.78Å |
| 1399 | N | 83.2 | Confident | 82.5 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 179.1 | -78.6 | -28.5 | 0 | 0 | 0 | 112.9 | Q1363 F1395 M1396 H1397 M1401 S1402 I1403 Y1452 | Q1363-N1399 VanDerWaalsContact CD-CG 3.44Å; Q1363-N1399 VanDerWaalsContact NE2-CB 3.29Å; Q1363-N1399 VanDerWaalsContact NE2-CG 3.33Å; Q1363-N1399 PolarHBondContact NE2-OD1 3.18Å; Q1363-N1399 VanDerWaalsContact OE1-CG 3.24Å; Q1363-N1399 PolarHBondContact OE1-ND2 3Å; Q1363-N1399 PolarHBondContact OE1-OD1 2.84Å; Q1363-N1399 VanDerWaalsContact OE1-OD1 3.07Å; F1395-N1399 VanDerWaalsContact O-CB 3.25Å; F1395-N1399 WeakPolarHBondContact O-CB 3.4Å; F1395-N1399 VanDerWaalsContact O-CG 3.24Å; F1395-N1399 PolarHBondContact O-N 3.04Å; F1395-N1399 PolarHBondContact O-ND2 3.14Å; F1395-N1399 VanDerWaalsContact O-ND2 3.14Å; M1396-N1399 WeakPolarHBondContact O-CB 3.32Å; M1396-N1399 PolarHBondContact O-N 3.07Å; H1397-N1399 VanDerWaalsContact C-N 3.3Å; H1397-N1399 PolarHBondContact O-N 3.16Å; N1399-M1401 VanDerWaalsContact C-N 3.32Å; N1399-M1401 PolarHBondContact O-N 2.78Å; N1399-S1402 PolarHBondContact O-N 3.06Å; N1399-S1402 PolarHBondContact O-OG 2.9Å; N1399-I1403 WeakPolarHBondContact O-CB 3.41Å; N1399-I1403 WeakPolarHBondContact O-CD1 3.31Å; N1399-I1403 VanDerWaalsContact O-CG1 3.29Å; N1399-I1403 WeakPolarHBondContact O-CG1 3.4Å; N1399-I1403 PolarHBondContact O-N 2.98Å; N1399-Y1452 HydrophobicContact CB-CE1 4.05Å; N1399-Y1452 WeakPolarHBondContact CB-OH 3.49Å |
| 1400 | L | 85.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.1 | -79 | 172.1 | 0 | 0 | 0 | 111.9 | I1328 L1331 A1332 F1335 M1396 H1397 I1403 A1404 V1449 Y1452 | I1328-L1400 HydrophobicContact CG2-CB 4.11Å; I1328-L1400 HydrophobicContact CG2-CD2 4.24Å; I1328-L1400 WeakPolarHBondContact CG2-O 3.18Å; L1331-L1400 HydrophobicContact CB-CD1 4.42Å; L1331-L1400 HydrophobicContact CD2-CD1 3.98Å; L1331-L1400 HydrophobicContact CG-CD1 3.95Å; A1332-L1400 HydrophobicContact CB-CB 3.97Å; A1332-L1400 HydrophobicContact CB-CD1 4.24Å; F1335-L1400 HydrophobicContact CD2-CD1 3.68Å; F1335-L1400 HydrophobicContact CE2-CD1 3.8Å; M1396-L1400 WeakPolarHBondContact O-CB 3.32Å; M1396-L1400 WeakPolarHBondContact O-CG 3.36Å; M1396-L1400 PolarHBondContact O-N 3.05Å; H1397-L1400 PolarHBondContact O-N 2.83Å; L1400-I1403 PolarHBondContact O-N 3.23Å; L1400-A1404 WeakPolarHBondContact O-CB 3.29Å; L1400-A1404 PolarHBondContact O-N 3.2Å; L1400-V1449 HydrophobicContact CD2-CG1 4.25Å; L1400-Y1452 HydrophobicContact CD1-CD1 4.36Å; L1400-Y1452 HydrophobicContact CD1-CG 4.35Å; L1400-Y1452 HydrophobicContact CD2-CD1 4.21Å; L1400-Y1452 HydrophobicContact CD2-CD2 3.6Å; L1400-Y1452 HydrophobicContact CD2-CE2 4.21Å; L1400-Y1452 HydrophobicContact CD2-CG 3.6Å; L1400-Y1452 HydrophobicContact CG-CD1 4.02Å; L1400-Y1452 HydrophobicContact CG-CD2 4.28Å; L1400-Y1452 HydrophobicContact CG-CE1 4.39Å; L1400-Y1452 HydrophobicContact CG-CG 3.93Å |
| 1401 | M | 85.8 | Confident | 83.7 | Confident | 26.4 Ų | 26.4 | 34.7 Ų | 34.7 | 13% | 0.13 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.4 | -68 | -55.5 | -61.5 | 0 | 0 | 111.9 | L1231 F1232 A1332 H1397 Q1398 N1399 I1403 A1404 E1405 | L1231-M1401 HydrophobicContact CD1-CE 4.32Å; L1231-M1401 HydrophobicContact CD1-SD 4.5Å; L1231-M1401 HydrophobicContact CD2-CE 3.87Å; L1231-M1401 HydrophobicContact CG-CE 3.99Å; L1231-M1401 WeakPolarHBondContact O-CE 3.4Å; F1232-M1401 HydrophobicContact CD1-CE 3.81Å; F1232-M1401 HydrophobicContact CE1-CE 3.79Å; F1232-M1401 HydrophobicContact CZ-CE 4.45Å; A1332-M1401 HydrophobicContact CB-CG 4.33Å; A1332-M1401 HydrophobicContact CB-SD 3.98Å; H1397-M1401 WeakPolarHBondContact O-CG 3.26Å; H1397-M1401 PolarHBondContact O-N 3.15Å; H1397-M1401 VanDerWaalsContact O-N 3.07Å; Q1398-M1401 PolarHBondContact O-N 3.16Å; N1399-M1401 VanDerWaalsContact C-N 3.32Å; N1399-M1401 PolarHBondContact O-N 2.78Å; M1401-I1403 VanDerWaalsContact C-N 3.34Å; M1401-I1403 PolarHBondContact O-N 3.41Å; M1401-A1404 PolarHBondContact O-N 3.02Å; M1401-E1405 PolarHBondContact O-N 3.19Å |
| 1402 | S | 85.1 | Confident | 84.1 | Confident | 33.6 Ų | 33.6 | 30.2 Ų | 30.2 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.7 | 112.7 | 0 | 0 | 0 | 0 | 112.2 | Q1398 N1399 A1404 E1405 T1406 | Q1398-S1402 WeakPolarHBondContact O-CB 3.24Å; Q1398-S1402 PolarHBondContact O-N 3.14Å; Q1398-S1402 PolarHBondContact O-OG 2.78Å; N1399-S1402 PolarHBondContact O-N 3.06Å; N1399-S1402 PolarHBondContact O-OG 2.9Å; S1402-A1404 VanDerWaalsContact C-N 3.32Å; S1402-A1404 PolarHBondContact O-N 3.42Å; S1402-E1405 WeakPolarHBondContact O-CB 3.38Å; S1402-E1405 PolarHBondContact O-N 3.12Å; S1402-T1406 WeakPolarHBondContact O-CG2 3.37Å; S1402-T1406 PolarHBondContact O-N 3.18Å; S1402-T1406 PolarHBondContact O-OG1 3.29Å |
| 1403 | I | 85.1 | Confident | 84.4 | Confident | 7.2 Ų | 7.2 | 34 Ų | 34 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 175.8 | -69.2 | 164.4 | 0 | 0 | 0 | 110.5 | N1399 L1400 M1401 E1405 T1406 C1407 S1445 A1448 V1449 Y1452 | N1399-I1403 WeakPolarHBondContact O-CB 3.41Å; N1399-I1403 WeakPolarHBondContact O-CD1 3.31Å; N1399-I1403 VanDerWaalsContact O-CG1 3.29Å; N1399-I1403 WeakPolarHBondContact O-CG1 3.4Å; N1399-I1403 PolarHBondContact O-N 2.98Å; L1400-I1403 PolarHBondContact O-N 3.23Å; M1401-I1403 VanDerWaalsContact C-N 3.34Å; M1401-I1403 PolarHBondContact O-N 3.41Å; I1403-E1405 VanDerWaalsContact C-N 3.3Å; I1403-E1405 PolarHBondContact O-N 3.09Å; I1403-T1406 WeakPolarHBondContact CA-OG1 3.42Å; I1403-T1406 PolarHBondContact O-N 3.11Å; I1403-T1406 VanDerWaalsContact O-N 3.13Å; I1403-T1406 PolarHBondContact O-OG1 3.02Å; I1403-C1407 WeakPolarHBondContact O-CB 3.48Å; I1403-C1407 PolarHBondContact O-N 3.17Å; I1403-C1407 PolarHBondContact O-SG 3.19Å; I1403-S1445 VanDerWaalsContact CG2-O 3.24Å; I1403-S1445 WeakPolarHBondContact CG2-O 3.38Å; I1403-A1448 HydrophobicContact CD1-CB 4.41Å; I1403-V1449 HydrophobicContact CG2-CG2 3.76Å; I1403-Y1452 HydrophobicContact CD1-CD2 4.3Å; I1403-Y1452 HydrophobicContact CD1-CE2 3.43Å; I1403-Y1452 VanDerWaalsContact CD1-CE2 3.43Å |
| 1404 | A | 86.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1231 L1325 I1328 L1400 M1401 S1402 C1407 L1408 | L1231-A1404 HydrophobicContact CD1-CB 3.7Å; L1231-A1404 HydrophobicContact CD2-CB 3.48Å; L1231-A1404 VanDerWaalsContact CD2-CB 3.46Å; L1231-A1404 HydrophobicContact CG-CB 4.18Å; L1325-A1404 HydrophobicContact CD2-CB 4.05Å; I1328-A1404 HydrophobicContact CD1-CB 4.44Å; I1328-A1404 HydrophobicContact CG2-CB 3.91Å; L1400-A1404 WeakPolarHBondContact O-CB 3.29Å; L1400-A1404 PolarHBondContact O-N 3.2Å; M1401-A1404 PolarHBondContact O-N 3.02Å; S1402-A1404 VanDerWaalsContact C-N 3.32Å; S1402-A1404 PolarHBondContact O-N 3.42Å; A1404-C1407 PolarHBondContact O-N 3.24Å; A1404-L1408 WeakPolarHBondContact O-CG 3.36Å; A1404-L1408 PolarHBondContact O-N 3.16Å |
| 1405 | E | 86.8 | Confident | 84.5 | Confident | 85.6 Ų | 85.6 | 31.5 Ų | 31.5 | 40% | 0.4 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 172.6 | -168.2 | 170.1 | -166.5 | 0 | 0 | 111.9 | R1228 F1232 M1401 S1402 I1403 C1407 L1408 V1409 | R1228-E1405 IonicContact NH2-OE1 2.65Å; F1232-E1405 HydrophobicContact CE2-CG 4.35Å; F1232-E1405 HydrophobicContact CZ-CB 4.08Å; F1232-E1405 HydrophobicContact CZ-CG 4.2Å; M1401-E1405 PolarHBondContact O-N 3.19Å; S1402-E1405 WeakPolarHBondContact O-CB 3.38Å; S1402-E1405 PolarHBondContact O-N 3.12Å; I1403-E1405 VanDerWaalsContact C-N 3.3Å; I1403-E1405 PolarHBondContact O-N 3.09Å; E1405-C1407 VanDerWaalsContact C-N 3.31Å; E1405-C1407 PolarHBondContact O-N 3.22Å; E1405-L1408 PolarHBondContact O-N 3.17Å; E1405-V1409 HydrophobicContact CG-CG2 4.5Å; E1405-V1409 WeakPolarHBondContact O-CG2 3.4Å; E1405-V1409 PolarHBondContact O-N 3.17Å |
| 1406 | T | 85.6 | Confident | 84.4 | Confident | 35 Ų | 35 | 32 Ų | 32 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 176.1 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | S1402 I1403 L1408 V1409 A1410 S1445 | S1402-T1406 WeakPolarHBondContact O-CG2 3.37Å; S1402-T1406 PolarHBondContact O-N 3.18Å; S1402-T1406 PolarHBondContact O-OG1 3.29Å; I1403-T1406 WeakPolarHBondContact CA-OG1 3.42Å; I1403-T1406 PolarHBondContact O-N 3.11Å; I1403-T1406 VanDerWaalsContact O-N 3.13Å; I1403-T1406 PolarHBondContact O-OG1 3.02Å; T1406-L1408 PolarHBondContact O-N 3.19Å; T1406-V1409 PolarHBondContact O-N 3.11Å; T1406-A1410 VanDerWaalsContact O-CB 3.28Å; T1406-A1410 WeakPolarHBondContact O-CB 3.38Å; T1406-A1410 PolarHBondContact O-N 3.11Å; T1406-S1445 PolarHBondContact OG1-OG 3.32Å |
| 1407 | C | 87 | Confident | 84.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.5 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | L1325 I1403 A1404 E1405 C1411 L1442 S1445 | L1325-C1407 HydrophobicContact CD2-CB 4.19Å; I1403-C1407 WeakPolarHBondContact O-CB 3.48Å; I1403-C1407 PolarHBondContact O-N 3.17Å; I1403-C1407 PolarHBondContact O-SG 3.19Å; A1404-C1407 PolarHBondContact O-N 3.24Å; E1405-C1407 VanDerWaalsContact C-N 3.31Å; E1405-C1407 PolarHBondContact O-N 3.22Å; C1407-C1411 WeakPolarHBondContact O-CB 3.36Å; C1407-C1411 PolarHBondContact O-N 3.22Å; C1407-L1442 HydrophobicContact CB-CD1 4Å; C1407-S1445 VanDerWaalsContact SG-CB 3.53Å; C1407-S1445 WeakPolarHBondContact SG-CB 3.29Å; C1407-S1445 PolarHBondContact SG-OG 3.1Å; C1407-S1445 VanDerWaalsContact SG-OG 3.35Å |
| 1408 | L | 85.6 | Confident | 83.9 | Confident | 15.2 Ų | 15.2 | 31.9 Ų | 31.9 | 8% | 0.08 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 177.4 | -78.7 | 172.7 | 0 | 0 | 0 | 112.1 | I1224 L1227 R1228 L1231 F1232 L1325 A1404 E1405 T1406 G1412 | I1224-L1408 HydrophobicContact CG2-CD2 4.43Å; L1227-L1408 HydrophobicContact CB-CD2 4.17Å; R1228-L1408 HydrophobicContact CB-CD1 4.18Å; R1228-L1408 HydrophobicContact CG-CD1 4.28Å; L1231-L1408 HydrophobicContact CD2-CD1 3.83Å; L1231-L1408 HydrophobicContact CD2-CG 4.48Å; F1232-L1408 HydrophobicContact CE2-CD1 4.37Å; L1325-L1408 HydrophobicContact CD1-CD2 3.55Å; L1325-L1408 HydrophobicContact CD1-CG 4Å; L1325-L1408 HydrophobicContact CD2-CG 4.36Å; A1404-L1408 WeakPolarHBondContact O-CG 3.36Å; A1404-L1408 PolarHBondContact O-N 3.16Å; E1405-L1408 PolarHBondContact O-N 3.17Å; T1406-L1408 PolarHBondContact O-N 3.19Å; L1408-G1412 PolarHBondContact O-N 3.43Å |
| 1409 | V | 86 | Confident | 83.4 | Confident | 73.8 Ų | 73.8 | 27.5 Ų | 27.5 | 45% | 0.447 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.8 | -48.1 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | E1405 T1406 C1411 G1412 Q1413 | E1405-V1409 HydrophobicContact CG-CG2 4.5Å; E1405-V1409 WeakPolarHBondContact O-CG2 3.4Å; E1405-V1409 PolarHBondContact O-N 3.17Å; T1406-V1409 PolarHBondContact O-N 3.11Å; V1409-C1411 VanDerWaalsContact C-N 3.34Å; V1409-C1411 PolarHBondContact O-N 3.26Å; V1409-G1412 PolarHBondContact O-N 3.18Å; V1409-G1412 VanDerWaalsContact O-N 3.14Å; V1409-Q1413 HydrophobicContact CG1-CG 4.49Å; V1409-Q1413 WeakPolarHBondContact O-CG 3.38Å; V1409-Q1413 PolarHBondContact O-N 3.24Å |
| 1410 | A | 85.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1406 G1412 Q1413 L1414 T1438 L1442 | T1406-A1410 VanDerWaalsContact O-CB 3.28Å; T1406-A1410 WeakPolarHBondContact O-CB 3.38Å; T1406-A1410 PolarHBondContact O-N 3.11Å; A1410-G1412 PolarHBondContact O-N 3.21Å; A1410-Q1413 PolarHBondContact O-N 3.18Å; A1410-L1414 WeakPolarHBondContact O-CB 3.28Å; A1410-L1414 WeakPolarHBondContact O-CG 3.22Å; A1410-L1414 PolarHBondContact O-N 3.37Å; A1410-T1438 HydrophobicContact CB-CG2 4.11Å; A1410-L1442 HydrophobicContact CB-CB 4.09Å; A1410-L1442 HydrophobicContact CB-CD1 4.41Å |
| 1411 | C | 85.7 | Confident | 81.4 | Confident | 2.4 Ų | 2.4 | 36.8 Ų | 36.8 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | L1321 C1407 V1409 Q1413 L1414 I1415 | L1321-C1411 HydrophobicContact CD2-CB 3.64Å; L1321-C1411 VanDerWaalsContact CD2-SG 3.52Å; L1321-C1411 WeakPolarHBondContact CD2-SG 3.36Å; C1407-C1411 WeakPolarHBondContact O-CB 3.36Å; C1407-C1411 PolarHBondContact O-N 3.22Å; V1409-C1411 VanDerWaalsContact C-N 3.34Å; V1409-C1411 PolarHBondContact O-N 3.26Å; C1411-Q1413 VanDerWaalsContact C-N 3.34Å; C1411-Q1413 PolarHBondContact O-N 3Å; C1411-L1414 PolarHBondContact O-N 3.24Å; C1411-I1415 WeakPolarHBondContact O-CB 3.33Å; C1411-I1415 VanDerWaalsContact O-CG1 3.24Å; C1411-I1415 WeakPolarHBondContact O-CG1 3.39Å; C1411-I1415 PolarHBondContact O-N 3.17Å; C1411-I1415 VanDerWaalsContact SG-CD1 3.58Å |
| 1412 | G | 84.3 | Confident | 79.9 | Confident | 20.4 Ų | 20.4 | 38 Ų | 38 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1408 V1409 A1410 I1415 T1416 | L1408-G1412 PolarHBondContact O-N 3.43Å; V1409-G1412 PolarHBondContact O-N 3.18Å; V1409-G1412 VanDerWaalsContact O-N 3.14Å; A1410-G1412 PolarHBondContact O-N 3.21Å; G1412-I1415 PolarHBondContact O-N 2.99Å; G1412-T1416 WeakPolarHBondContact O-CB 3.33Å; G1412-T1416 WeakPolarHBondContact O-CG2 3.46Å; G1412-T1416 PolarHBondContact O-N 3.16Å; G1412-T1416 PolarHBondContact O-OG1 3.2Å |
| 1413 | Q | 84 | Confident | 78.2 | Confident | 93.8 Ų | 93.8 | 40.1 Ų | 40.1 | 44% | 0.438 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.9 | -46 | 175.9 | -73 | 173.3 | -11.7 | 0 | 0 | 111.9 | V1409 A1410 C1411 I1415 T1416 W1417 T1438 | V1409-Q1413 HydrophobicContact CG1-CG 4.49Å; V1409-Q1413 WeakPolarHBondContact O-CG 3.38Å; V1409-Q1413 PolarHBondContact O-N 3.24Å; A1410-Q1413 PolarHBondContact O-N 3.18Å; C1411-Q1413 VanDerWaalsContact C-N 3.34Å; C1411-Q1413 PolarHBondContact O-N 3Å; Q1413-I1415 VanDerWaalsContact C-N 3.34Å; Q1413-I1415 PolarHBondContact O-N 3.25Å; Q1413-T1416 WeakPolarHBondContact CA-OG1 3.26Å; Q1413-T1416 PolarHBondContact O-N 3.17Å; Q1413-T1416 PolarHBondContact O-OG1 3.2Å; Q1413-T1416 VanDerWaalsContact O-OG1 3.09Å; Q1413-W1417 WeakPolarHBondContact O-CB 3.34Å; Q1413-W1417 PolarHBondContact O-N 3.21Å; Q1413-T1438 HydrophobicContact CB-CG2 3.84Å |
| 1414 | L | 81.9 | Confident | 76.5 | Confident | 4.8 Ų | 4.8 | 48.7 Ų | 48.7 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 177 | -74.5 | 166.2 | 0 | 0 | 0 | 112.4 | L1288 I1289 A1410 C1411 W1417 A1418 T1438 A1439 L1442 | L1288-L1414 HydrophobicContact CD2-CD1 4.19Å; L1288-L1414 HydrophobicContact CD2-CD2 4.41Å; I1289-L1414 HydrophobicContact CD1-CD2 3.96Å; A1410-L1414 WeakPolarHBondContact O-CB 3.28Å; A1410-L1414 WeakPolarHBondContact O-CG 3.22Å; A1410-L1414 PolarHBondContact O-N 3.37Å; C1411-L1414 PolarHBondContact O-N 3.24Å; L1414-W1417 PolarHBondContact O-N 3.13Å; L1414-A1418 WeakPolarHBondContact O-CB 3.23Å; L1414-A1418 PolarHBondContact O-N 3.06Å; L1414-T1438 HydrophobicContact CD1-CG2 4.47Å; L1414-T1438 HydrophobicContact CD2-CG2 4.19Å; L1414-T1438 VanDerWaalsContact CD2-OG1 3.24Å; L1414-T1438 WeakPolarHBondContact CD2-OG1 3.34Å; L1414-T1438 HydrophobicContact CG-CG2 3.83Å; L1414-A1439 HydrophobicContact CD1-CB 4.33Å; L1414-A1439 HydrophobicContact CD2-CB 4.1Å; L1414-L1442 HydrophobicContact CD1-CB 4.38Å; L1414-L1442 HydrophobicContact CD1-CD2 3.79Å |
| 1415 | I | 81.2 | Confident | 74.7 | Confident | 7.2 Ų | 7.2 | 53.3 Ų | 53.3 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.1 | -70.7 | 172.8 | 0 | 0 | 0 | 110.6 | I1220 I1224 V1314 L1318 C1411 G1412 Q1413 W1417 A1418 L1419 | I1220-I1415 HydrophobicContact CG2-CD1 4.25Å; I1220-I1415 HydrophobicContact CG2-CG2 3.8Å; I1224-I1415 HydrophobicContact CD1-CD1 3.66Å; I1224-I1415 HydrophobicContact CG1-CD1 4.36Å; V1314-I1415 HydrophobicContact CG1-CB 4.47Å; V1314-I1415 HydrophobicContact CG1-CD1 3.87Å; V1314-I1415 HydrophobicContact CG1-CG1 3.73Å; V1314-I1415 HydrophobicContact CG1-CG2 4.14Å; V1314-I1415 HydrophobicContact CG2-CG1 4.37Å; L1318-I1415 HydrophobicContact CD1-CD1 4.25Å; L1318-I1415 HydrophobicContact CD2-CD1 3.96Å; L1318-I1415 HydrophobicContact CG-CD1 4.14Å; C1411-I1415 WeakPolarHBondContact O-CB 3.33Å; C1411-I1415 VanDerWaalsContact O-CG1 3.24Å; C1411-I1415 WeakPolarHBondContact O-CG1 3.39Å; C1411-I1415 PolarHBondContact O-N 3.17Å; C1411-I1415 VanDerWaalsContact SG-CD1 3.58Å; G1412-I1415 PolarHBondContact O-N 2.99Å; Q1413-I1415 VanDerWaalsContact C-N 3.34Å; Q1413-I1415 PolarHBondContact O-N 3.25Å; I1415-W1417 VanDerWaalsContact C-N 3.33Å; I1415-W1417 PolarHBondContact O-N 2.94Å; I1415-A1418 PolarHBondContact O-N 3.26Å; I1415-L1419 HydrophobicContact CG2-CD1 3.8Å; I1415-L1419 WeakPolarHBondContact O-CB 3.41Å; I1415-L1419 WeakPolarHBondContact O-CD1 3.33Å; I1415-L1419 VanDerWaalsContact O-CG 3.25Å; I1415-L1419 WeakPolarHBondContact O-CG 3.4Å; I1415-L1419 PolarHBondContact O-N 3.16Å; I1415-L1419 VanDerWaalsContact O-N 3.13Å |
| 1416 | T | 78 | Confident | 73.2 | Confident | 86.4 Ų | 86.4 | 55.6 Ų | 55.6 | 53% | 0.53 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 177.1 | 7.6 | 0 | 0 | 0 | 0 | 111.6 | G1412 Q1413 L1419 R1420 | G1412-T1416 WeakPolarHBondContact O-CB 3.33Å; G1412-T1416 WeakPolarHBondContact O-CG2 3.46Å; G1412-T1416 PolarHBondContact O-N 3.16Å; G1412-T1416 PolarHBondContact O-OG1 3.2Å; Q1413-T1416 WeakPolarHBondContact CA-OG1 3.26Å; Q1413-T1416 PolarHBondContact O-N 3.17Å; Q1413-T1416 PolarHBondContact O-OG1 3.2Å; Q1413-T1416 VanDerWaalsContact O-OG1 3.09Å; T1416-L1419 PolarHBondContact O-N 3.3Å; T1416-R1420 HydrophobicContact CG2-CG 4.2Å; T1416-R1420 VanDerWaalsContact O-CB 3.27Å; T1416-R1420 WeakPolarHBondContact O-CB 3.31Å; T1416-R1420 VanDerWaalsContact O-CG 3.26Å; T1416-R1420 WeakPolarHBondContact O-CG 3.38Å; T1416-R1420 PolarHBondContact O-N 3.17Å; T1416-R1420 VanDerWaalsContact O-N 3.12Å |
| 1417 | W | 79.5 | Confident | 72.2 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 11% | 0.106 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -49 | 174.9 | 174.7 | 83.2 | 0 | 0 | 0 | 111.8 | I1289 I1292 Q1413 L1414 I1415 L1419 R1420 H1421 I1427 E1431 L1432 A1435 | I1289-W1417 HydrophobicContact CD1-CE3 4.2Å; I1289-W1417 HydrophobicContact CD1-CH2 3.94Å; I1289-W1417 HydrophobicContact CD1-CZ3 3.59Å; I1289-W1417 HydrophobicContact CG2-CH2 4.21Å; I1292-W1417 HydrophobicContact CB-CH2 4.4Å; I1292-W1417 HydrophobicContact CB-CZ3 4.14Å; I1292-W1417 HydrophobicContact CD1-CE3 4.46Å; I1292-W1417 HydrophobicContact CD1-CZ3 3.85Å; I1292-W1417 HydrophobicContact CG2-CH2 3.99Å; I1292-W1417 HydrophobicContact CG2-CZ3 3.69Å; Q1413-W1417 WeakPolarHBondContact O-CB 3.34Å; Q1413-W1417 PolarHBondContact O-N 3.21Å; L1414-W1417 PolarHBondContact O-N 3.13Å; I1415-W1417 VanDerWaalsContact C-N 3.33Å; I1415-W1417 PolarHBondContact O-N 2.94Å; W1417-L1419 PolarHBondContact O-N 3.15Å; W1417-L1419 VanDerWaalsContact O-N 3.16Å; W1417-R1420 PolarHBondContact O-N 3.14Å; W1417-H1421 AromaticContact CD1-NE2 3.76Å; W1417-H1421 AromaticContact NE1-CD2 3.94Å; W1417-H1421 AromaticContact NE1-NE2 3.73Å; W1417-H1421 PolarHBondContact O-CD2 3.06Å; W1417-I1427 HydrophobicContact CZ2-CD1 4.34Å; W1417-I1427 HydrophobicContact CZ2-CG2 4.37Å; W1417-E1431 PolarHBondContact NE1-O 3.47Å; W1417-L1432 HydrophobicContact CH2-CD1 4.04Å; W1417-L1432 HydrophobicContact CZ2-CD1 3.8Å; W1417-A1435 HydrophobicContact CD2-CB 3.67Å; W1417-A1435 VanDerWaalsContact CE2-CB 3.46Å; W1417-A1435 HydrophobicContact CE3-CB 4.09Å; W1417-A1435 HydrophobicContact CG-CB 4.08Å; W1417-A1435 HydrophobicContact CH2-CB 4.29Å; W1417-A1435 HydrophobicContact CZ2-CB 3.89Å; W1417-A1435 HydrophobicContact CZ3-CB 4.37Å |
| 1418 | A | 75.3 | Confident | 71.2 | Confident | 2.4 Ų | 2.4 | 58.5 Ų | 58.5 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -33.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1292 R1310 V1314 L1414 I1415 | I1292-A1418 HydrophobicContact CD1-CB 4.04Å; R1310-A1418 WeakPolarHBondContact CD-O 3.31Å; R1310-A1418 PolarHBondContact NH1-O 3.24Å; V1314-A1418 HydrophobicContact CG2-CB 4.26Å; L1414-A1418 WeakPolarHBondContact O-CB 3.23Å; L1414-A1418 PolarHBondContact O-N 3.06Å; I1415-A1418 PolarHBondContact O-N 3.26Å |
| 1419 | L | 73.9 | Confident | 70.2 | Confident | 26.6 Ų | 26.6 | 63.6 Ų | 63.6 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -94.2 | -14.4 | -176.5 | -62.6 | 172.7 | 0 | 0 | 0 | 114.2 | L1217 I1220 M1307 L1311 I1415 T1416 W1417 | L1217-L1419 HydrophobicContact CD1-CD1 3.47Å; L1217-L1419 VanDerWaalsContact CD1-CD1 3.41Å; L1217-L1419 HydrophobicContact CD2-CD1 3.41Å; L1217-L1419 VanDerWaalsContact CD2-CD1 3.41Å; L1217-L1419 HydrophobicContact CD2-CD2 4.19Å; L1217-L1419 HydrophobicContact CD2-CG 4.26Å; I1220-L1419 HydrophobicContact CD1-CD1 4.44Å; M1307-L1419 HydrophobicContact CE-CD2 4.39Å; L1311-L1419 HydrophobicContact CD2-CD2 3.74Å; L1311-L1419 HydrophobicContact CG-CD2 4.32Å; I1415-L1419 HydrophobicContact CG2-CD1 3.8Å; I1415-L1419 WeakPolarHBondContact O-CB 3.41Å; I1415-L1419 WeakPolarHBondContact O-CD1 3.33Å; I1415-L1419 VanDerWaalsContact O-CG 3.25Å; I1415-L1419 WeakPolarHBondContact O-CG 3.4Å; I1415-L1419 PolarHBondContact O-N 3.16Å; I1415-L1419 VanDerWaalsContact O-N 3.13Å; T1416-L1419 PolarHBondContact O-N 3.3Å; W1417-L1419 PolarHBondContact O-N 3.15Å; W1417-L1419 VanDerWaalsContact O-N 3.16Å |
| 1420 | R | 68.9 | Low | 69.5 | Low | 193.2 Ų | 193.2 | 66.1 Ų | 66.1 | 73% | 0.729 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -73.5 | -29.5 | -177 | -155.3 | 175.3 | -176.6 | -179.1 | -0.7 | 113.7 | T1416 W1417 N1422 | T1416-R1420 HydrophobicContact CG2-CG 4.2Å; T1416-R1420 VanDerWaalsContact O-CB 3.27Å; T1416-R1420 WeakPolarHBondContact O-CB 3.31Å; T1416-R1420 VanDerWaalsContact O-CG 3.26Å; T1416-R1420 WeakPolarHBondContact O-CG 3.38Å; T1416-R1420 PolarHBondContact O-N 3.17Å; T1416-R1420 VanDerWaalsContact O-N 3.12Å; W1417-R1420 PolarHBondContact O-N 3.14Å; R1420-N1422 PolarHBondContact O-N 3.12Å; R1420-N1422 VanDerWaalsContact O-N 3.14Å |
| 1421 | H | 58.4 | Low | 68.8 | Low | 29.4 Ų | 29.4 | 69.4 Ų | 69.4 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | trans | -91.8 | 84.2 | -172.3 | -63.5 | -70.9 | 0 | 0 | 0 | 112.6 | R1310 W1417 E1431 | R1310-H1421 PolarHBondContact NH1-O 3.35Å; W1417-H1421 AromaticContact CD1-NE2 3.76Å; W1417-H1421 AromaticContact NE1-CD2 3.94Å; W1417-H1421 AromaticContact NE1-NE2 3.73Å; W1417-H1421 PolarHBondContact O-CD2 3.06Å; H1421-E1431 IonicContact CE1-OE2 3.1Å; H1421-E1431 PolarHBondContact CE1-OE2 3.12Å; H1421-E1431 IonicContact NE2-OE2 3.04Å; H1421-E1431 PolarHBondContact NE2-OE2 3.26Å | ||
| 1422 | N | 53.2 | Low | 68.2 | Low | 51.4 Ų | 51.4 | 69.8 Ų | 69.8 | 28% | 0.275 | 37% | 0.37 | S | S | . | . | trans | -91.6 | -14.9 | 175.9 | -90.5 | 1.7 | 0 | 0 | 0 | 113.8 | E1213 M1303 R1420 | E1213-N1422 PolarHBondContact OE1-ND2 3.22Å; M1303-N1422 VanDerWaalsContact CE-C 3.47Å; M1303-N1422 HydrophobicContact CE-CB 3.63Å; M1303-N1422 VanDerWaalsContact CE-CB 3.47Å; M1303-N1422 VanDerWaalsContact CE-CG 3.47Å; M1303-N1422 WeakPolarHBondContact CE-O 3.28Å; R1420-N1422 PolarHBondContact O-N 3.12Å; R1420-N1422 VanDerWaalsContact O-N 3.14Å | ||
| 1423 | S | 49.2 | Very low | 67.7 | Low | 76.6 Ų | 76.6 | 74.4 Ų | 74.4 | 54% | 0.536 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -93.6 | 145.6 | -175.6 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | T1425 | S1423-T1425 PolarHBondContact O-N 2.86Å; S1423-T1425 PolarHBondContact OG-OG1 3.08Å |
| 1424 | Q | 49.7 | Very low | 67.4 | Low | 189.2 Ų | 189.2 | 75.1 Ų | 75.1 | 88% | 0.884 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -59.8 | 14.5 | 177.1 | -77.4 | 173.8 | -31.9 | 0 | 0 | 115.6 | ||
| 1425 | T | 48.2 | Very low | 67.1 | Low | 95.2 Ų | 95.2 | 75.1 Ų | 75.1 | 58% | 0.584 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -89.8 | 130 | 179.4 | 42 | 0 | 0 | 0 | 0 | 110.2 | S1423 I1427 | S1423-T1425 PolarHBondContact O-N 2.86Å; S1423-T1425 PolarHBondContact OG-OG1 3.08Å; T1425-I1427 PolarHBondContact O-N 2.99Å |
| 1426 | T | 56.8 | Low | 67 | Low | 134.2 Ų | 134.2 | 74.9 Ų | 74.9 | 82% | 0.823 | 39% | 0.394 | S | S | * | . | trans | -41.1 | 124.9 | 168.6 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 1427 | I | 63.2 | Low | 67.2 | Low | 33.4 Ų | 33.4 | 74.8 Ų | 74.8 | 17% | 0.171 | 39% | 0.392 | C | S | . | . | trans | -59.7 | 125.4 | 176 | -56.6 | 166.8 | 0 | 0 | 0 | 107.4 | W1417 T1425 L1432 | W1417-I1427 HydrophobicContact CZ2-CD1 4.34Å; W1417-I1427 HydrophobicContact CZ2-CG2 4.37Å; T1425-I1427 PolarHBondContact O-N 2.99Å; I1427-L1432 HydrophobicContact CG2-CB 4.44Å | ||
| 1428 | P | 65.9 | Low | 67.3 | Low | 63.4 Ų | 63.4 | 74.6 Ų | 74.6 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | trans | -62.9 | 139.5 | 178.1 | 16 | -19.8 | 0 | 0 | 0 | 111.2 | D1430 E1431 L1432 | P1428-D1430 VanDerWaalsContact C-N 3.28Å; P1428-D1430 PolarHBondContact O-N 3.19Å; P1428-E1431 HydrophobicContact CB-CG 4.31Å; P1428-E1431 WeakPolarHBondContact CD-OE2 3.34Å; P1428-E1431 HydrophobicContact CG-CB 4.15Å; P1428-E1431 HydrophobicContact CG-CG 4.01Å; P1428-E1431 VanDerWaalsContact CG-OE2 3.26Å; P1428-E1431 WeakPolarHBondContact CG-OE2 3.46Å; P1428-E1431 PolarHBondContact O-N 3.3Å; P1428-E1431 VanDerWaalsContact O-N 3.15Å; P1428-L1432 PolarHBondContact O-N 3.36Å | ||
| 1429 | D | 65.4 | Low | 67.6 | Low | 121.8 Ų | 121.8 | 74.6 Ų | 74.6 | 65% | 0.651 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.3 | -34.4 | -174.9 | -73.3 | -25.5 | 0 | 0 | 0 | 112.8 | W1282 E1431 L1432 Q1433 | W1282-D1429 WeakPolarHBondContact CH2-OD1 3.49Å; D1429-E1431 PolarHBondContact O-N 3.38Å; D1429-L1432 WeakPolarHBondContact O-CB 3.2Å; D1429-L1432 PolarHBondContact O-N 3.14Å; D1429-Q1433 WeakPolarHBondContact O-CB 3.49Å; D1429-Q1433 PolarHBondContact O-N 3.19Å |
| 1430 | D | 71.2 | Confident | 67.9 | Low | 126.8 Ų | 126.8 | 77 Ų | 77 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.2 | -43.5 | 177.8 | -65.3 | -19.6 | 0 | 0 | 0 | 112.1 | P1428 L1432 Q1433 D1434 | P1428-D1430 VanDerWaalsContact C-N 3.28Å; P1428-D1430 PolarHBondContact O-N 3.19Å; D1430-L1432 VanDerWaalsContact C-N 3.32Å; D1430-L1432 PolarHBondContact O-N 3.36Å; D1430-Q1433 WeakPolarHBondContact O-CB 3.41Å; D1430-Q1433 PolarHBondContact O-N 3.12Å; D1430-D1434 PolarHBondContact O-N 3.17Å |
| 1431 | E | 71.6 | Confident | 68.6 | Low | 70.2 Ų | 70.2 | 71.4 Ų | 71.4 | 33% | 0.328 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -71.7 | -30.2 | 179 | -69.3 | -177.7 | 158.8 | 0 | 0 | 112 | W1417 H1421 P1428 D1429 Q1433 D1434 A1435 | W1417-E1431 PolarHBondContact NE1-O 3.47Å; H1421-E1431 IonicContact CE1-OE2 3.1Å; H1421-E1431 PolarHBondContact CE1-OE2 3.12Å; H1421-E1431 IonicContact NE2-OE2 3.04Å; H1421-E1431 PolarHBondContact NE2-OE2 3.26Å; P1428-E1431 HydrophobicContact CB-CG 4.31Å; P1428-E1431 WeakPolarHBondContact CD-OE2 3.34Å; P1428-E1431 HydrophobicContact CG-CB 4.15Å; P1428-E1431 HydrophobicContact CG-CG 4.01Å; P1428-E1431 VanDerWaalsContact CG-OE2 3.26Å; P1428-E1431 WeakPolarHBondContact CG-OE2 3.46Å; P1428-E1431 PolarHBondContact O-N 3.3Å; P1428-E1431 VanDerWaalsContact O-N 3.15Å; D1429-E1431 PolarHBondContact O-N 3.38Å; E1431-Q1433 VanDerWaalsContact C-N 3.33Å; E1431-D1434 PolarHBondContact O-N 2.67Å; E1431-A1435 WeakPolarHBondContact O-CB 3.34Å; E1431-A1435 PolarHBondContact O-N 3.27Å |
| 1432 | L | 72.7 | Confident | 69.8 | Low | 12.4 Ų | 12.4 | 70 Ų | 70 | 7% | 0.065 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 173.5 | -169.2 | 71 | 0 | 0 | 0 | 111 | W1282 F1285 I1289 K1293 W1417 I1427 P1428 D1429 D1430 A1435 G1436 | W1282-L1432 HydrophobicContact CE3-CD2 3.95Å; W1282-L1432 HydrophobicContact CZ3-CD2 3.44Å; W1282-L1432 VanDerWaalsContact CZ3-CD2 3.44Å; F1285-L1432 HydrophobicContact CD1-CG 4.26Å; F1285-L1432 HydrophobicContact CD2-CD2 4.11Å; F1285-L1432 HydrophobicContact CE1-CB 4.46Å; F1285-L1432 HydrophobicContact CE1-CD2 4.08Å; F1285-L1432 HydrophobicContact CE1-CG 3.75Å; F1285-L1432 WeakPolarHBondContact CE1-O 3.19Å; F1285-L1432 HydrophobicContact CE2-CD2 3.5Å; F1285-L1432 VanDerWaalsContact CE2-CD2 3.46Å; F1285-L1432 HydrophobicContact CE2-CG 4.12Å; F1285-L1432 HydrophobicContact CZ-CB 4.42Å; F1285-L1432 HydrophobicContact CZ-CD2 3.49Å; F1285-L1432 VanDerWaalsContact CZ-CD2 3.45Å; F1285-L1432 HydrophobicContact CZ-CG 3.67Å; I1289-L1432 HydrophobicContact CG2-CD1 3.41Å; I1289-L1432 VanDerWaalsContact CG2-CD1 3.43Å; I1289-L1432 HydrophobicContact CG2-CG 4.27Å; K1293-L1432 HydrophobicContact CD-CD2 4.27Å; W1417-L1432 HydrophobicContact CH2-CD1 4.04Å; W1417-L1432 HydrophobicContact CZ2-CD1 3.8Å; I1427-L1432 HydrophobicContact CG2-CB 4.44Å; P1428-L1432 PolarHBondContact O-N 3.36Å; D1429-L1432 WeakPolarHBondContact O-CB 3.2Å; D1429-L1432 PolarHBondContact O-N 3.14Å; D1430-L1432 VanDerWaalsContact C-N 3.32Å; D1430-L1432 PolarHBondContact O-N 3.36Å; L1432-A1435 PolarHBondContact O-N 3.23Å; L1432-G1436 PolarHBondContact O-N 3.17Å |
| 1433 | Q | 72.8 | Confident | 71.3 | Confident | 115 Ų | 115 | 68.6 Ų | 68.6 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 174.7 | -171.8 | 128.8 | 7.1 | 0 | 0 | 111.4 | D1429 D1430 E1431 A1435 G1436 V1437 | D1429-Q1433 WeakPolarHBondContact O-CB 3.49Å; D1429-Q1433 PolarHBondContact O-N 3.19Å; D1430-Q1433 WeakPolarHBondContact O-CB 3.41Å; D1430-Q1433 PolarHBondContact O-N 3.12Å; E1431-Q1433 VanDerWaalsContact C-N 3.33Å; Q1433-A1435 VanDerWaalsContact C-N 3.34Å; Q1433-A1435 PolarHBondContact O-N 3.21Å; Q1433-G1436 CarbonylContact O-C 3.59Å; Q1433-G1436 WeakPolarHBondContact O-CA 3.35Å; Q1433-G1436 PolarHBondContact O-N 2.86Å; Q1433-G1436 VanDerWaalsContact O-N 3.12Å; Q1433-V1437 WeakPolarHBondContact O-CG2 3.28Å; Q1433-V1437 PolarHBondContact O-N 3.25Å |
| 1434 | D | 77.5 | Confident | 72.8 | Confident | 110.2 Ų | 110.2 | 68.1 Ų | 68.1 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 174.6 | -75.5 | -14.5 | 0 | 0 | 0 | 111.8 | D1430 E1431 G1436 V1437 T1438 | D1430-D1434 PolarHBondContact O-N 3.17Å; E1431-D1434 PolarHBondContact O-N 2.67Å; D1434-G1436 VanDerWaalsContact C-N 3.31Å; D1434-G1436 PolarHBondContact O-N 3.18Å; D1434-V1437 PolarHBondContact O-N 3.05Å; D1434-T1438 WeakPolarHBondContact O-CG2 3.36Å; D1434-T1438 PolarHBondContact O-N 3.24Å; D1434-T1438 PolarHBondContact O-OG1 3.1Å |
| 1435 | A | 77.3 | Confident | 74.3 | Confident | 3.8 Ų | 3.8 | 59.1 Ų | 59.1 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1289 W1417 E1431 L1432 Q1433 V1437 T1438 A1439 | I1289-A1435 VanDerWaalsContact CD1-C 3.43Å; I1289-A1435 HydrophobicContact CD1-CB 4.07Å; I1289-A1435 WeakPolarHBondContact CD1-O 3.36Å; W1417-A1435 HydrophobicContact CD2-CB 3.67Å; W1417-A1435 VanDerWaalsContact CE2-CB 3.46Å; W1417-A1435 HydrophobicContact CE3-CB 4.09Å; W1417-A1435 HydrophobicContact CG-CB 4.08Å; W1417-A1435 HydrophobicContact CH2-CB 4.29Å; W1417-A1435 HydrophobicContact CZ2-CB 3.89Å; W1417-A1435 HydrophobicContact CZ3-CB 4.37Å; E1431-A1435 WeakPolarHBondContact O-CB 3.34Å; E1431-A1435 PolarHBondContact O-N 3.27Å; L1432-A1435 PolarHBondContact O-N 3.23Å; Q1433-A1435 VanDerWaalsContact C-N 3.34Å; Q1433-A1435 PolarHBondContact O-N 3.21Å; A1435-V1437 PolarHBondContact O-N 3.23Å; A1435-T1438 WeakPolarHBondContact CA-OG1 3.34Å; A1435-T1438 PolarHBondContact O-N 3.1Å; A1435-T1438 PolarHBondContact O-OG1 3.29Å; A1435-A1439 WeakPolarHBondContact O-CB 3.32Å; A1435-A1439 PolarHBondContact O-N 3.11Å |
| 1436 | G | 78.5 | Confident | 76.1 | Confident | 4.2 Ų | 4.2 | 54.6 Ų | 54.6 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -52.9 | -54 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1289 L1432 Q1433 D1434 T1438 A1439 D1440 | I1289-G1436 VanDerWaalsContact CD1-N 3.3Å; L1432-G1436 PolarHBondContact O-N 3.17Å; Q1433-G1436 CarbonylContact O-C 3.59Å; Q1433-G1436 WeakPolarHBondContact O-CA 3.35Å; Q1433-G1436 PolarHBondContact O-N 2.86Å; Q1433-G1436 VanDerWaalsContact O-N 3.12Å; D1434-G1436 VanDerWaalsContact C-N 3.31Å; D1434-G1436 PolarHBondContact O-N 3.18Å; G1436-T1438 VanDerWaalsContact C-N 3.33Å; G1436-T1438 PolarHBondContact O-N 3.04Å; G1436-A1439 WeakPolarHBondContact O-CA 3.48Å; G1436-A1439 WeakPolarHBondContact O-CB 3.4Å; G1436-A1439 PolarHBondContact O-N 3.32Å; G1436-D1440 PolarHBondContact O-N 3.19Å |
| 1437 | V | 81.3 | Confident | 77.3 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 178.7 | 175 | 0 | 0 | 0 | 0 | 111.4 | Q1433 D1434 A1435 A1439 D1440 Q1441 | Q1433-V1437 WeakPolarHBondContact O-CG2 3.28Å; Q1433-V1437 PolarHBondContact O-N 3.25Å; D1434-V1437 PolarHBondContact O-N 3.05Å; A1435-V1437 PolarHBondContact O-N 3.23Å; V1437-A1439 VanDerWaalsContact C-N 3.32Å; V1437-A1439 PolarHBondContact O-N 3.45Å; V1437-D1440 WeakPolarHBondContact O-CB 3.29Å; V1437-D1440 PolarHBondContact O-N 3.15Å; V1437-Q1441 VanDerWaalsContact O-CB 3.29Å; V1437-Q1441 WeakPolarHBondContact O-CB 3.34Å; V1437-Q1441 PolarHBondContact O-N 3.21Å |
| 1438 | T | 81.9 | Confident | 78.2 | Confident | 23.2 Ų | 23.2 | 49.6 Ų | 49.6 | 14% | 0.142 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 177.9 | 44.3 | 0 | 0 | 0 | 0 | 112.9 | A1410 Q1413 L1414 D1434 A1435 G1436 Q1441 L1442 | A1410-T1438 HydrophobicContact CB-CG2 4.11Å; Q1413-T1438 HydrophobicContact CB-CG2 3.84Å; L1414-T1438 HydrophobicContact CD1-CG2 4.47Å; L1414-T1438 HydrophobicContact CD2-CG2 4.19Å; L1414-T1438 VanDerWaalsContact CD2-OG1 3.24Å; L1414-T1438 WeakPolarHBondContact CD2-OG1 3.34Å; L1414-T1438 HydrophobicContact CG-CG2 3.83Å; D1434-T1438 WeakPolarHBondContact O-CG2 3.36Å; D1434-T1438 PolarHBondContact O-N 3.24Å; D1434-T1438 PolarHBondContact O-OG1 3.1Å; A1435-T1438 WeakPolarHBondContact CA-OG1 3.34Å; A1435-T1438 PolarHBondContact O-N 3.1Å; A1435-T1438 PolarHBondContact O-OG1 3.29Å; G1436-T1438 VanDerWaalsContact C-N 3.33Å; G1436-T1438 PolarHBondContact O-N 3.04Å; T1438-Q1441 PolarHBondContact O-N 3.14Å; T1438-L1442 PolarHBondContact O-N 3.03Å; T1438-L1442 VanDerWaalsContact O-N 3.07Å |
| 1439 | A | 81.4 | Confident | 79 | Confident | 3.6 Ų | 3.6 | 46.6 Ų | 46.6 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1286 I1289 L1414 A1435 G1436 V1437 Q1441 L1442 N1443 | P1286-A1439 HydrophobicContact CB-CB 3.97Å; P1286-A1439 HydrophobicContact CG-CB 3.95Å; I1289-A1439 HydrophobicContact CD1-CB 3.92Å; I1289-A1439 HydrophobicContact CG1-CB 4.16Å; L1414-A1439 HydrophobicContact CD1-CB 4.33Å; L1414-A1439 HydrophobicContact CD2-CB 4.1Å; A1435-A1439 WeakPolarHBondContact O-CB 3.32Å; A1435-A1439 PolarHBondContact O-N 3.11Å; G1436-A1439 WeakPolarHBondContact O-CA 3.48Å; G1436-A1439 WeakPolarHBondContact O-CB 3.4Å; G1436-A1439 PolarHBondContact O-N 3.32Å; V1437-A1439 VanDerWaalsContact C-N 3.32Å; V1437-A1439 PolarHBondContact O-N 3.45Å; A1439-Q1441 VanDerWaalsContact C-N 3.32Å; A1439-L1442 PolarHBondContact O-N 3.04Å; A1439-N1443 WeakPolarHBondContact O-CB 3.34Å; A1439-N1443 PolarHBondContact O-N 3.26Å |
| 1440 | D | 80.1 | Confident | 79.7 | Confident | 76.8 Ų | 76.8 | 41.1 Ų | 41.1 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 172.3 | -89.3 | -17.3 | 0 | 0 | 0 | 111.3 | P1286 G1436 V1437 L1442 N1443 T1444 | P1286-D1440 VanDerWaalsContact CG-OD1 3.24Å; P1286-D1440 WeakPolarHBondContact CG-OD1 3.39Å; G1436-D1440 PolarHBondContact O-N 3.19Å; V1437-D1440 WeakPolarHBondContact O-CB 3.29Å; V1437-D1440 PolarHBondContact O-N 3.15Å; D1440-L1442 VanDerWaalsContact C-N 3.32Å; D1440-L1442 PolarHBondContact O-N 3Å; D1440-N1443 PolarHBondContact O-N 3.18Å; D1440-T1444 VanDerWaalsContact O-CB 3.28Å; D1440-T1444 WeakPolarHBondContact O-CB 3.42Å; D1440-T1444 VanDerWaalsContact O-CG2 3.23Å; D1440-T1444 WeakPolarHBondContact O-CG2 3.29Å; D1440-T1444 PolarHBondContact O-N 3.14Å; D1440-T1444 PolarHBondContact O-OG1 3.18Å |
| 1441 | Q | 83.1 | Confident | 80 | Confident | 74.6 Ų | 74.6 | 35.2 Ų | 35.2 | 35% | 0.349 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.2 | -171.6 | 177.1 | 2.3 | 0 | 0 | 111.6 | V1437 T1438 A1439 T1444 S1445 | V1437-Q1441 VanDerWaalsContact O-CB 3.29Å; V1437-Q1441 WeakPolarHBondContact O-CB 3.34Å; V1437-Q1441 PolarHBondContact O-N 3.21Å; T1438-Q1441 PolarHBondContact O-N 3.14Å; A1439-Q1441 VanDerWaalsContact C-N 3.32Å; Q1441-T1444 VanDerWaalsContact CA-OG1 3.29Å; Q1441-T1444 WeakPolarHBondContact CA-OG1 3.41Å; Q1441-T1444 PolarHBondContact O-N 3.08Å; Q1441-T1444 PolarHBondContact O-OG1 3.07Å; Q1441-S1445 VanDerWaalsContact O-CB 3.25Å; Q1441-S1445 WeakPolarHBondContact O-CB 3.41Å; Q1441-S1445 PolarHBondContact O-N 3.09Å; Q1441-S1445 PolarHBondContact O-OG 3.26Å; Q1441-S1445 VanDerWaalsContact O-OG 3.09Å |
| 1442 | L | 85.1 | Confident | 80.4 | Confident | 1.4 Ų | 1.4 | 32 Ų | 32 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -48.5 | 174.7 | 179.5 | 62.7 | 0 | 0 | 0 | 111.4 | L1317 L1321 C1407 A1410 L1414 T1438 A1439 D1440 T1444 S1445 I1446 | L1317-L1442 HydrophobicContact CD1-CD2 4.33Å; L1321-L1442 HydrophobicContact CD1-CD1 4.47Å; C1407-L1442 HydrophobicContact CB-CD1 4Å; A1410-L1442 HydrophobicContact CB-CB 4.09Å; A1410-L1442 HydrophobicContact CB-CD1 4.41Å; L1414-L1442 HydrophobicContact CD1-CB 4.38Å; L1414-L1442 HydrophobicContact CD1-CD2 3.79Å; T1438-L1442 PolarHBondContact O-N 3.03Å; T1438-L1442 VanDerWaalsContact O-N 3.07Å; A1439-L1442 PolarHBondContact O-N 3.04Å; D1440-L1442 VanDerWaalsContact C-N 3.32Å; D1440-L1442 PolarHBondContact O-N 3Å; L1442-T1444 VanDerWaalsContact C-N 3.32Å; L1442-T1444 PolarHBondContact O-N 3.39Å; L1442-S1445 WeakPolarHBondContact CA-OG 3.43Å; L1442-S1445 PolarHBondContact O-N 3.07Å; L1442-S1445 PolarHBondContact O-OG 3.21Å; L1442-I1446 HydrophobicContact CD1-CD1 3.85Å; L1442-I1446 HydrophobicContact CD1-CG1 4.31Å; L1442-I1446 HydrophobicContact CG-CD1 3.92Å; L1442-I1446 WeakPolarHBondContact O-CB 3.47Å; L1442-I1446 VanDerWaalsContact O-CG1 3.28Å; L1442-I1446 WeakPolarHBondContact O-CG1 3.36Å; L1442-I1446 PolarHBondContact O-N 3.26Å |
| 1443 | N | 83.4 | Confident | 80.8 | Confident | 21.6 Ų | 21.6 | 31.5 Ų | 31.5 | 12% | 0.116 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 179.3 | -94.2 | -5.4 | 0 | 0 | 0 | 112 | Y1258 N1259 F1262 A1439 D1440 I1446 N1447 | Y1258-N1443 VanDerWaalsContact CE1-OD1 3.25Å; Y1258-N1443 WeakPolarHBondContact CE1-OD1 3.26Å; Y1258-N1443 PolarHBondContact OH-OD1 3.16Å; N1259-N1443 PolarHBondContact OD1-OD1 2.91Å; F1262-N1443 PolarHBondContact O-ND2 3.4Å; F1262-N1443 VanDerWaalsContact O-ND2 3.16Å; A1439-N1443 WeakPolarHBondContact O-CB 3.34Å; A1439-N1443 PolarHBondContact O-N 3.26Å; D1440-N1443 PolarHBondContact O-N 3.18Å; N1443-I1446 PolarHBondContact O-N 2.94Å; N1443-N1447 WeakPolarHBondContact O-CB 3.29Å; N1443-N1447 PolarHBondContact O-N 3.07Å; N1443-N1447 PolarHBondContact O-ND2 3.06Å; N1443-N1447 PolarHBondContact OD1-ND2 3.42Å |
| 1444 | T | 81.6 | Confident | 81 | Confident | 66.8 Ų | 66.8 | 26.2 Ų | 26.2 | 41% | 0.41 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68.1 | -39.8 | 177 | 13.1 | 0 | 0 | 0 | 0 | 111.6 | I1366 D1440 Q1441 L1442 N1447 A1448 | I1366-T1444 HydrophobicContact CD1-CG2 3.8Å; I1366-T1444 HydrophobicContact CG1-CG2 4.22Å; D1440-T1444 VanDerWaalsContact O-CB 3.28Å; D1440-T1444 WeakPolarHBondContact O-CB 3.42Å; D1440-T1444 VanDerWaalsContact O-CG2 3.23Å; D1440-T1444 WeakPolarHBondContact O-CG2 3.29Å; D1440-T1444 PolarHBondContact O-N 3.14Å; D1440-T1444 PolarHBondContact O-OG1 3.18Å; Q1441-T1444 VanDerWaalsContact CA-OG1 3.29Å; Q1441-T1444 WeakPolarHBondContact CA-OG1 3.41Å; Q1441-T1444 PolarHBondContact O-N 3.08Å; Q1441-T1444 PolarHBondContact O-OG1 3.07Å; L1442-T1444 VanDerWaalsContact C-N 3.32Å; L1442-T1444 PolarHBondContact O-N 3.39Å; T1444-N1447 PolarHBondContact O-N 3.13Å; T1444-A1448 VanDerWaalsContact O-CB 3.3Å; T1444-A1448 WeakPolarHBondContact O-CB 3.37Å; T1444-A1448 PolarHBondContact O-N 3.15Å |
| 1445 | S | 82.2 | Confident | 80.8 | Confident | 0.4 Ų | 0.4 | 21.2 Ų | 21.2 | 0% | 0.003 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 176 | -24 | 0 | 0 | 0 | 0 | 111.9 | I1403 T1406 C1407 Q1441 L1442 A1448 V1449 | I1403-S1445 VanDerWaalsContact CG2-O 3.24Å; I1403-S1445 WeakPolarHBondContact CG2-O 3.38Å; T1406-S1445 PolarHBondContact OG1-OG 3.32Å; C1407-S1445 VanDerWaalsContact SG-CB 3.53Å; C1407-S1445 WeakPolarHBondContact SG-CB 3.29Å; C1407-S1445 PolarHBondContact SG-OG 3.1Å; C1407-S1445 VanDerWaalsContact SG-OG 3.35Å; Q1441-S1445 VanDerWaalsContact O-CB 3.25Å; Q1441-S1445 WeakPolarHBondContact O-CB 3.41Å; Q1441-S1445 PolarHBondContact O-N 3.09Å; Q1441-S1445 PolarHBondContact O-OG 3.26Å; Q1441-S1445 VanDerWaalsContact O-OG 3.09Å; L1442-S1445 WeakPolarHBondContact CA-OG 3.43Å; L1442-S1445 PolarHBondContact O-N 3.07Å; L1442-S1445 PolarHBondContact O-OG 3.21Å; S1445-A1448 WeakPolarHBondContact O-CB 3.37Å; S1445-A1448 PolarHBondContact O-N 2.98Å; S1445-V1449 PolarHBondContact O-N 3.09Å |
| 1446 | I | 85 | Confident | 81 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 175.4 | -69.5 | 168 | 0 | 0 | 0 | 110.7 | I1255 Y1258 L1321 V1324 L1442 N1443 A1448 V1449 | I1255-I1446 HydrophobicContact CG1-CG2 4.2Å; I1255-I1446 HydrophobicContact CG2-CG2 4.05Å; Y1258-I1446 HydrophobicContact CD1-CD1 3.9Å; Y1258-I1446 HydrophobicContact CD1-CG2 3.97Å; Y1258-I1446 HydrophobicContact CD2-CD1 4.06Å; Y1258-I1446 HydrophobicContact CE1-CB 4.48Å; Y1258-I1446 HydrophobicContact CE1-CD1 3.43Å; Y1258-I1446 VanDerWaalsContact CE1-CD1 3.41Å; Y1258-I1446 HydrophobicContact CE1-CG2 4.29Å; Y1258-I1446 HydrophobicContact CE2-CD1 3.59Å; Y1258-I1446 HydrophobicContact CG-CD1 4.21Å; L1321-I1446 HydrophobicContact CD1-CD1 3.91Å; L1321-I1446 HydrophobicContact CD1-CG1 4.44Å; V1324-I1446 HydrophobicContact CG1-CG1 4.47Å; V1324-I1446 HydrophobicContact CG1-CG2 4.27Å; L1442-I1446 HydrophobicContact CD1-CD1 3.85Å; L1442-I1446 HydrophobicContact CD1-CG1 4.31Å; L1442-I1446 HydrophobicContact CG-CD1 3.92Å; L1442-I1446 WeakPolarHBondContact O-CB 3.47Å; L1442-I1446 VanDerWaalsContact O-CG1 3.28Å; L1442-I1446 WeakPolarHBondContact O-CG1 3.36Å; L1442-I1446 PolarHBondContact O-N 3.26Å; N1443-I1446 PolarHBondContact O-N 2.94Å; I1446-A1448 VanDerWaalsContact C-N 3.28Å; I1446-A1448 PolarHBondContact O-N 3.25Å; I1446-V1449 VanDerWaalsContact O-CB 3.28Å; I1446-V1449 WeakPolarHBondContact O-CB 3.39Å; I1446-V1449 WeakPolarHBondContact O-CG2 3.41Å; I1446-V1449 PolarHBondContact O-N 3.16Å; I1446-V1449 VanDerWaalsContact O-N 3.16Å |
| 1447 | N | 82.2 | Confident | 80.9 | Confident | 50.8 Ų | 50.8 | 21.6 Ų | 21.6 | 27% | 0.272 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -71.2 | -22.1 | 178.3 | -74.9 | -53.4 | 0 | 0 | 0 | 113.4 | N1259 N1443 T1444 V1449 L1450 | N1259-N1447 PolarHBondContact ND2-OD1 3.05Å; N1259-N1447 PolarHBondContact OD1-ND2 3.07Å; N1443-N1447 WeakPolarHBondContact O-CB 3.29Å; N1443-N1447 PolarHBondContact O-N 3.07Å; N1443-N1447 PolarHBondContact O-ND2 3.06Å; N1443-N1447 PolarHBondContact OD1-ND2 3.42Å; T1444-N1447 PolarHBondContact O-N 3.13Å; N1447-V1449 VanDerWaalsContact C-N 3.28Å; N1447-V1449 PolarHBondContact O-N 3.38Å; N1447-L1450 WeakPolarHBondContact O-CB 3.35Å; N1447-L1450 PolarHBondContact O-N 3.02Å |
| 1448 | A | 81.5 | Confident | 80.6 | Confident | 12.2 Ų | 12.2 | 18.1 Ų | 18.1 | 10% | 0.101 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.7 | -30.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1366 I1403 T1444 S1445 I1446 L1450 G1451 Y1452 | I1366-A1448 HydrophobicContact CD1-CB 3.88Å; I1403-A1448 HydrophobicContact CD1-CB 4.41Å; T1444-A1448 VanDerWaalsContact O-CB 3.3Å; T1444-A1448 WeakPolarHBondContact O-CB 3.37Å; T1444-A1448 PolarHBondContact O-N 3.15Å; S1445-A1448 WeakPolarHBondContact O-CB 3.37Å; S1445-A1448 PolarHBondContact O-N 2.98Å; I1446-A1448 VanDerWaalsContact C-N 3.28Å; I1446-A1448 PolarHBondContact O-N 3.25Å; A1448-L1450 VanDerWaalsContact C-N 3.26Å; A1448-L1450 PolarHBondContact O-N 3.16Å; A1448-G1451 WeakPolarHBondContact O-CA 3.35Å; A1448-G1451 PolarHBondContact O-N 3.21Å; A1448-Y1452 WeakPolarHBondContact O-CD2 3.26Å |
| 1449 | V | 83.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.7 | -36.2 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | L1251 I1255 I1328 L1400 I1403 S1445 I1446 N1447 G1451 Y1452 | L1251-V1449 HydrophobicContact CD1-CG1 4.14Å; L1251-V1449 HydrophobicContact CD2-CG1 3.78Å; L1251-V1449 HydrophobicContact CG-CG1 4.31Å; I1255-V1449 HydrophobicContact CD1-CB 4.15Å; I1255-V1449 HydrophobicContact CD1-CG1 4.09Å; I1328-V1449 HydrophobicContact CD1-CG1 4.44Å; I1328-V1449 HydrophobicContact CD1-CG2 3.63Å; I1328-V1449 HydrophobicContact CG1-CB 4.4Å; I1328-V1449 HydrophobicContact CG1-CG1 3.71Å; I1328-V1449 HydrophobicContact CG1-CG2 3.79Å; L1400-V1449 HydrophobicContact CD2-CG1 4.25Å; I1403-V1449 HydrophobicContact CG2-CG2 3.76Å; S1445-V1449 PolarHBondContact O-N 3.09Å; I1446-V1449 VanDerWaalsContact O-CB 3.28Å; I1446-V1449 WeakPolarHBondContact O-CB 3.39Å; I1446-V1449 WeakPolarHBondContact O-CG2 3.41Å; I1446-V1449 PolarHBondContact O-N 3.16Å; I1446-V1449 VanDerWaalsContact O-N 3.16Å; N1447-V1449 VanDerWaalsContact C-N 3.28Å; N1447-V1449 PolarHBondContact O-N 3.38Å; V1449-G1451 PolarHBondContact O-N 3.19Å; V1449-G1451 VanDerWaalsContact O-N 3.09Å; V1449-Y1452 WeakPolarHBondContact O-CB 3.43Å; V1449-Y1452 PolarHBondContact O-N 3.17Å |
| 1450 | L | 80.1 | Confident | 80.4 | Confident | 7 Ų | 7 | 20.2 Ų | 20.2 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20 | 175.6 | -62.1 | 171.2 | 0 | 0 | 0 | 112.5 | W1252 I1255 N1447 A1448 Y1452 I1453 E1456 R1460 | W1252-L1450 HydrophobicContact CD2-CD2 4.06Å; W1252-L1450 HydrophobicContact CE3-CD2 4.09Å; W1252-L1450 HydrophobicContact CH2-CD1 4.44Å; W1252-L1450 HydrophobicContact CH2-CD2 3.93Å; W1252-L1450 HydrophobicContact CZ2-CD2 3.68Å; W1252-L1450 HydrophobicContact CZ3-CD2 4.18Å; I1255-L1450 HydrophobicContact CB-CD2 4.14Å; I1255-L1450 HydrophobicContact CD1-CD2 3.52Å; I1255-L1450 VanDerWaalsContact CD1-CD2 3.48Å; I1255-L1450 HydrophobicContact CD1-CG 3.91Å; I1255-L1450 HydrophobicContact CG1-CD2 4.43Å; I1255-L1450 HydrophobicContact CG2-CD1 3.75Å; I1255-L1450 HydrophobicContact CG2-CD2 3.91Å; I1255-L1450 HydrophobicContact CG2-CG 3.95Å; N1447-L1450 WeakPolarHBondContact O-CB 3.35Å; N1447-L1450 PolarHBondContact O-N 3.02Å; A1448-L1450 VanDerWaalsContact C-N 3.26Å; A1448-L1450 PolarHBondContact O-N 3.16Å; L1450-Y1452 VanDerWaalsContact C-N 3.3Å; L1450-Y1452 PolarHBondContact O-N 3.24Å; L1450-I1453 HydrophobicContact CD2-CD1 3.8Å; L1450-I1453 PolarHBondContact O-N 2.93Å; L1450-E1456 HydrophobicContact CB-CG 4.31Å; L1450-E1456 WeakPolarHBondContact O-CB 3.21Å; L1450-E1456 WeakPolarHBondContact O-CG 3.43Å; L1450-R1460 VanDerWaalsContact CB-NH2 3.33Å; L1450-R1460 VanDerWaalsContact CD1-NH2 3.29Å; L1450-R1460 PolarHBondContact O-NH1 3.19Å |
| 1451 | G | 76.8 | Confident | 80.3 | Confident | 1.4 Ų | 1.4 | 22.7 Ų | 22.7 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -20.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1448 V1449 V1457 | A1448-G1451 WeakPolarHBondContact O-CA 3.35Å; A1448-G1451 PolarHBondContact O-N 3.21Å; V1449-G1451 PolarHBondContact O-N 3.19Å; V1449-G1451 VanDerWaalsContact O-N 3.09Å; G1451-V1457 VanDerWaalsContact O-CG2 3.31Å; G1451-V1457 WeakPolarHBondContact O-CG2 3.34Å |
| 1452 | Y | 79.9 | Confident | 80.2 | Confident | 2.8 Ų | 2.8 | 19.3 Ų | 19.3 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -10.4 | 179.2 | -65.3 | -90.3 | 0 | 0 | 0 | 112.9 | A1359 Q1363 M1396 N1399 L1400 I1403 A1448 V1449 L1450 P1454 | A1359-Y1452 HydrophobicContact CB-CD1 4.3Å; A1359-Y1452 HydrophobicContact CB-CE1 3.78Å; A1359-Y1452 HydrophobicContact CB-CE2 4.2Å; Q1363-Y1452 VanDerWaalsContact CG-OH 3.31Å; Q1363-Y1452 WeakPolarHBondContact CG-OH 3.48Å; Q1363-Y1452 PolarHBondContact NE2-OH 3.43Å; Q1363-Y1452 PolarHBondContact OE1-OH 3.07Å; M1396-Y1452 HydrophobicContact CB-CD1 4.24Å; M1396-Y1452 HydrophobicContact CB-CE1 4.39Å; M1396-Y1452 HydrophobicContact CE-CD1 4.45Å; M1396-Y1452 HydrophobicContact CG-CD1 4.08Å; M1396-Y1452 HydrophobicContact CG-CE1 4.21Å; M1396-Y1452 HydrophobicContact SD-CD1 4.25Å; N1399-Y1452 HydrophobicContact CB-CE1 4.05Å; N1399-Y1452 WeakPolarHBondContact CB-OH 3.49Å; L1400-Y1452 HydrophobicContact CD1-CD1 4.36Å; L1400-Y1452 HydrophobicContact CD1-CG 4.35Å; L1400-Y1452 HydrophobicContact CD2-CD1 4.21Å; L1400-Y1452 HydrophobicContact CD2-CD2 3.6Å; L1400-Y1452 HydrophobicContact CD2-CE2 4.21Å; L1400-Y1452 HydrophobicContact CD2-CG 3.6Å; L1400-Y1452 HydrophobicContact CG-CD1 4.02Å; L1400-Y1452 HydrophobicContact CG-CD2 4.28Å; L1400-Y1452 HydrophobicContact CG-CE1 4.39Å; L1400-Y1452 HydrophobicContact CG-CG 3.93Å; I1403-Y1452 HydrophobicContact CD1-CD2 4.3Å; I1403-Y1452 HydrophobicContact CD1-CE2 3.43Å; I1403-Y1452 VanDerWaalsContact CD1-CE2 3.43Å; A1448-Y1452 WeakPolarHBondContact O-CD2 3.26Å; V1449-Y1452 WeakPolarHBondContact O-CB 3.43Å; V1449-Y1452 PolarHBondContact O-N 3.17Å; L1450-Y1452 VanDerWaalsContact C-N 3.3Å; L1450-Y1452 PolarHBondContact O-N 3.24Å; Y1452-P1454 WeakPolarHBondContact O-CD 3.35Å |
| 1453 | I | 81.5 | Confident | 80 | Confident | 2.2 Ų | 2.2 | 21.5 Ų | 21.5 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -74.1 | 124.7 | 177.1 | -58.1 | 178.8 | 0 | 0 | 0 | 109.1 | C1248 L1251 W1252 L1331 L1450 G1455 E1456 | C1248-I1453 HydrophobicContact CB-CG2 4.06Å; L1251-I1453 HydrophobicContact CD2-CD1 4.02Å; L1251-I1453 HydrophobicContact CD2-CG1 4.11Å; L1251-I1453 HydrophobicContact CG-CD1 4.14Å; W1252-I1453 HydrophobicContact CB-CD1 4.38Å; W1252-I1453 VanDerWaalsContact CD1-CD1 3.43Å; W1252-I1453 HydrophobicContact CD2-CD1 4.28Å; W1252-I1453 HydrophobicContact CD2-CG2 4.44Å; W1252-I1453 HydrophobicContact CG-CD1 4.13Å; W1252-I1453 HydrophobicContact CH2-CG2 4.19Å; W1252-I1453 HydrophobicContact CZ2-CG2 3.74Å; L1331-I1453 HydrophobicContact CD2-CG1 4.43Å; L1450-I1453 HydrophobicContact CD2-CD1 3.8Å; L1450-I1453 PolarHBondContact O-N 2.93Å; I1453-G1455 PolarHBondContact O-N 3.17Å; I1453-E1456 HydrophobicContact CB-CB 4.28Å; I1453-E1456 HydrophobicContact CG2-CB 4.32Å; I1453-E1456 PolarHBondContact O-N 3.14Å |
| 1454 | P | 76 | Confident | 79.7 | Confident | 3.6 Ų | 3.6 | 22.8 Ų | 22.8 | 2% | 0.023 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | 124 | 174.1 | -33.8 | 40.2 | 0 | 0 | 0 | 113.1 | L1244 V1351 Y1452 E1456 L1557 A1561 M1610 | L1244-P1454 HydrophobicContact CD1-CG 4.48Å; L1244-P1454 HydrophobicContact CD2-CG 4.42Å; V1351-P1454 HydrophobicContact CG1-CB 3.69Å; V1351-P1454 HydrophobicContact CG1-CG 4.25Å; Y1452-P1454 WeakPolarHBondContact O-CD 3.35Å; P1454-E1456 VanDerWaalsContact C-N 3.31Å; P1454-E1456 PolarHBondContact O-N 3.18Å; P1454-E1456 VanDerWaalsContact O-N 3.14Å; P1454-L1557 HydrophobicContact CB-CD2 4.1Å; P1454-L1557 HydrophobicContact CB-CG 4.26Å; P1454-L1557 HydrophobicContact CG-CD2 4.34Å; P1454-A1561 HydrophobicContact CB-CB 4.25Å; P1454-M1610 WeakPolarHBondContact O-CE 3.45Å |
| 1455 | G | 74.2 | Confident | 79.5 | Confident | 5.2 Ų | 5.2 | 20.5 Ų | 20.5 | 5% | 0.054 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -20.9 | 174 | 0 | 0 | 0 | 0 | 0 | 116.8 | I1453 V1457 T1458 V1459 M1610 | I1453-G1455 PolarHBondContact O-N 3.17Å; G1455-V1457 VanDerWaalsContact C-N 3.31Å; G1455-V1457 PolarHBondContact O-N 3.34Å; G1455-T1458 WeakPolarHBondContact CA-OG1 3.31Å; G1455-T1458 WeakPolarHBondContact O-CB 3.42Å; G1455-T1458 PolarHBondContact O-N 3.05Å; G1455-T1458 VanDerWaalsContact O-N 3.14Å; G1455-T1458 PolarHBondContact O-OG1 3.02Å; G1455-V1459 WeakPolarHBondContact O-CG2 3.42Å; G1455-V1459 PolarHBondContact O-N 3.23Å; G1455-M1610 VanDerWaalsContact CA-CE 3.48Å |
| 1456 | E | 80.7 | Confident | 79.4 | Confident | 5.6 Ų | 5.6 | 20.9 Ų | 20.9 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | -179.5 | 173.6 | 61.7 | -177.2 | 0 | 0 | 111.9 | W1252 L1450 I1453 P1454 T1458 V1459 R1460 | W1252-E1456 HydrophobicContact CH2-CG 3.96Å; W1252-E1456 WeakPolarHBondContact CH2-OE1 3.34Å; W1252-E1456 WeakPolarHBondContact CH2-OE2 3.38Å; W1252-E1456 HydrophobicContact CZ2-CB 3.83Å; W1252-E1456 HydrophobicContact CZ2-CG 3.37Å; W1252-E1456 VanDerWaalsContact CZ2-CG 3.41Å; W1252-E1456 WeakPolarHBondContact CZ2-OE1 3.44Å; W1252-E1456 WeakPolarHBondContact CZ2-OE2 3.32Å; W1252-E1456 PolarHBondContact NE1-OE1 3.43Å; W1252-E1456 PolarHBondContact NE1-OE2 3.06Å; L1450-E1456 HydrophobicContact CB-CG 4.31Å; L1450-E1456 WeakPolarHBondContact O-CB 3.21Å; L1450-E1456 WeakPolarHBondContact O-CG 3.43Å; I1453-E1456 HydrophobicContact CB-CB 4.28Å; I1453-E1456 HydrophobicContact CG2-CB 4.32Å; I1453-E1456 PolarHBondContact O-N 3.14Å; P1454-E1456 VanDerWaalsContact C-N 3.31Å; P1454-E1456 PolarHBondContact O-N 3.18Å; P1454-E1456 VanDerWaalsContact O-N 3.14Å; E1456-T1458 VanDerWaalsContact C-N 3.29Å; E1456-T1458 PolarHBondContact O-N 3.24Å; E1456-V1459 PolarHBondContact O-N 3.2Å; E1456-R1460 HydrophobicContact CG-CG 4.26Å; E1456-R1460 VanDerWaalsContact CG-NH1 3.27Å; E1456-R1460 WeakPolarHBondContact O-CB 3.46Å; E1456-R1460 WeakPolarHBondContact O-CG 3.33Å; E1456-R1460 PolarHBondContact O-N 3.26Å; E1456-R1460 WeakPolarHBondContact OE1-CG 2.92Å; E1456-R1460 IonicContact OE1-CZ 3.02Å; E1456-R1460 VanDerWaalsContact OE1-CZ 3.22Å; E1456-R1460 IonicContact OE1-NE 3.27Å; E1456-R1460 PolarHBondContact OE1-NE 3.29Å; E1456-R1460 IonicContact OE1-NH1 2.83Å; E1456-R1460 IonicContact OE1-NH2 3.41Å; E1456-R1460 PolarHBondContact OE1-NH2 3.14Å |
| 1457 | V | 76.2 | Confident | 78.9 | Confident | 11.8 Ų | 11.8 | 26.8 Ų | 26.8 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | V1358 G1451 G1455 V1459 R1460 R1461 | V1358-V1457 HydrophobicContact CB-CG1 3.7Å; V1358-V1457 HydrophobicContact CG1-CG1 3.42Å; V1358-V1457 VanDerWaalsContact CG1-CG1 3.46Å; V1358-V1457 HydrophobicContact CG2-CG1 3.79Å; G1451-V1457 VanDerWaalsContact O-CG2 3.31Å; G1451-V1457 WeakPolarHBondContact O-CG2 3.34Å; G1455-V1457 VanDerWaalsContact C-N 3.31Å; G1455-V1457 PolarHBondContact O-N 3.34Å; V1457-V1459 VanDerWaalsContact C-N 3.34Å; V1457-R1460 PolarHBondContact O-N 3.19Å; V1457-R1461 VanDerWaalsContact O-CB 3.29Å; V1457-R1461 WeakPolarHBondContact O-CB 3.39Å; V1457-R1461 PolarHBondContact O-N 3.14Å |
| 1458 | T | 76.7 | Confident | 78.3 | Confident | 9.2 Ų | 9.2 | 26.8 Ų | 26.8 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.9 | -40.5 | 179.1 | 42.6 | 0 | 0 | 0 | 0 | 110.5 | V1354 G1455 E1456 R1461 L1462 A1564 D1565 T1568 | V1354-T1458 HydrophobicContact CG1-CG2 3.9Å; G1455-T1458 WeakPolarHBondContact CA-OG1 3.31Å; G1455-T1458 WeakPolarHBondContact O-CB 3.42Å; G1455-T1458 PolarHBondContact O-N 3.05Å; G1455-T1458 VanDerWaalsContact O-N 3.14Å; G1455-T1458 PolarHBondContact O-OG1 3.02Å; E1456-T1458 VanDerWaalsContact C-N 3.29Å; E1456-T1458 PolarHBondContact O-N 3.24Å; T1458-R1461 WeakPolarHBondContact O-CB 3.35Å; T1458-R1461 PolarHBondContact O-N 3.21Å; T1458-L1462 PolarHBondContact O-N 3.05Å; T1458-A1564 VanDerWaalsContact CG2-C 3.45Å; T1458-A1564 HydrophobicContact CG2-CB 3.71Å; T1458-A1564 VanDerWaalsContact OG1-CB 3.3Å; T1458-A1564 WeakPolarHBondContact OG1-CB 3.39Å; T1458-D1565 HydrophobicContact CG2-CB 4.08Å; T1458-T1568 PolarHBondContact O-OG1 2.98Å |
| 1459 | V | 79.5 | Confident | 77.9 | Confident | 0.2 Ų | 0.2 | 26.2 Ų | 26.2 | 0% | 0.001 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 173.1 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | G1455 E1456 V1457 R1461 L1462 F1463 A1564 L1606 Q1607 M1610 | G1455-V1459 WeakPolarHBondContact O-CG2 3.42Å; G1455-V1459 PolarHBondContact O-N 3.23Å; E1456-V1459 PolarHBondContact O-N 3.2Å; V1457-V1459 VanDerWaalsContact C-N 3.34Å; V1459-R1461 VanDerWaalsContact C-N 3.3Å; V1459-R1461 PolarHBondContact O-N 2.95Å; V1459-L1462 VanDerWaalsContact O-CB 3.31Å; V1459-L1462 WeakPolarHBondContact O-CB 3.38Å; V1459-L1462 PolarHBondContact O-N 3.11Å; V1459-L1462 VanDerWaalsContact O-N 3.14Å; V1459-F1463 HydrophobicContact CG1-CD2 3.88Å; V1459-F1463 HydrophobicContact CG1-CE2 3.6Å; V1459-F1463 VanDerWaalsContact O-CD2 3.25Å; V1459-F1463 WeakPolarHBondContact O-CD2 3.22Å; V1459-F1463 PolarHBondContact O-N 3.28Å; V1459-A1564 HydrophobicContact CG2-CB 4.17Å; V1459-L1606 HydrophobicContact CG2-CB 4.24Å; V1459-L1606 HydrophobicContact CG2-CD2 3.77Å; V1459-L1606 HydrophobicContact CG2-CG 4.1Å; V1459-Q1607 HydrophobicContact CG1-CB 3.93Å; V1459-Q1607 HydrophobicContact CG1-CG 4.23Å; V1459-M1610 HydrophobicContact CG2-CE 3.99Å; V1459-M1610 HydrophobicContact CG2-SD 3.93Å |
| 1460 | R | 78.6 | Confident | 77.3 | Confident | 69.6 Ų | 69.6 | 27.5 Ų | 27.5 | 26% | 0.263 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 174 | -74.1 | -174.9 | -173.1 | 149.4 | 1.3 | 112.9 | L1450 E1456 V1457 L1462 F1463 A1464 | L1450-R1460 VanDerWaalsContact CB-NH2 3.33Å; L1450-R1460 VanDerWaalsContact CD1-NH2 3.29Å; L1450-R1460 PolarHBondContact O-NH1 3.19Å; E1456-R1460 HydrophobicContact CG-CG 4.26Å; E1456-R1460 VanDerWaalsContact CG-NH1 3.27Å; E1456-R1460 WeakPolarHBondContact O-CB 3.46Å; E1456-R1460 WeakPolarHBondContact O-CG 3.33Å; E1456-R1460 PolarHBondContact O-N 3.26Å; E1456-R1460 WeakPolarHBondContact OE1-CG 2.92Å; E1456-R1460 IonicContact OE1-CZ 3.02Å; E1456-R1460 VanDerWaalsContact OE1-CZ 3.22Å; E1456-R1460 IonicContact OE1-NE 3.27Å; E1456-R1460 PolarHBondContact OE1-NE 3.29Å; E1456-R1460 IonicContact OE1-NH1 2.83Å; E1456-R1460 IonicContact OE1-NH2 3.41Å; E1456-R1460 PolarHBondContact OE1-NH2 3.14Å; V1457-R1460 PolarHBondContact O-N 3.19Å; R1460-L1462 VanDerWaalsContact C-N 3.32Å; R1460-F1463 PolarHBondContact O-N 3.16Å; R1460-A1464 WeakPolarHBondContact O-CB 3.33Å; R1460-A1464 PolarHBondContact O-N 3.1Å |
| 1461 | R | 79.4 | Confident | 76.8 | Confident | 130.4 Ų | 130.4 | 33.5 Ų | 33.5 | 49% | 0.492 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 174.6 | -177.4 | 177.8 | -179.5 | -177.6 | -1.1 | 111 | V1457 T1458 V1459 A1464 L1465 T1568 | V1457-R1461 VanDerWaalsContact O-CB 3.29Å; V1457-R1461 WeakPolarHBondContact O-CB 3.39Å; V1457-R1461 PolarHBondContact O-N 3.14Å; T1458-R1461 WeakPolarHBondContact O-CB 3.35Å; T1458-R1461 PolarHBondContact O-N 3.21Å; V1459-R1461 VanDerWaalsContact C-N 3.3Å; V1459-R1461 PolarHBondContact O-N 2.95Å; R1461-A1464 PolarHBondContact O-N 3.17Å; R1461-L1465 HydrophobicContact CG-CD1 4.24Å; R1461-L1465 HydrophobicContact CG-CG 4.47Å; R1461-L1465 WeakPolarHBondContact O-CB 3.38Å; R1461-L1465 VanDerWaalsContact O-CG 3.27Å; R1461-L1465 WeakPolarHBondContact O-CG 3.37Å; R1461-L1465 PolarHBondContact O-N 3.18Å; R1461-T1568 HydrophobicContact CB-CG2 4.1Å; R1461-T1568 HydrophobicContact CG-CG2 3.84Å |
| 1462 | L | 80.1 | Confident | 76.2 | Confident | 2.8 Ų | 2.8 | 34.5 Ų | 34.5 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 172.6 | -177.6 | 61.6 | 0 | 0 | 0 | 110.8 | T1458 V1459 R1460 A1464 L1465 L1466 L1567 T1568 V1571 A1603 L1606 | T1458-L1462 PolarHBondContact O-N 3.05Å; V1459-L1462 VanDerWaalsContact O-CB 3.31Å; V1459-L1462 WeakPolarHBondContact O-CB 3.38Å; V1459-L1462 PolarHBondContact O-N 3.11Å; V1459-L1462 VanDerWaalsContact O-N 3.14Å; R1460-L1462 VanDerWaalsContact C-N 3.32Å; L1462-A1464 VanDerWaalsContact C-N 3.34Å; L1462-A1464 PolarHBondContact O-N 3.27Å; L1462-L1465 WeakPolarHBondContact O-CB 3.25Å; L1462-L1465 PolarHBondContact O-N 3.05Å; L1462-L1465 VanDerWaalsContact O-N 3.14Å; L1462-L1466 HydrophobicContact CD1-CD1 4.44Å; L1462-L1466 HydrophobicContact CD1-CG 4.46Å; L1462-L1466 HydrophobicContact CG-CD1 4.22Å; L1462-L1466 WeakPolarHBondContact O-CB 3.34Å; L1462-L1466 VanDerWaalsContact O-CG 3.25Å; L1462-L1466 WeakPolarHBondContact O-CG 3.26Å; L1462-L1466 PolarHBondContact O-N 3.01Å; L1462-L1567 HydrophobicContact CD2-CD2 4.1Å; L1462-T1568 HydrophobicContact CB-CG2 4.29Å; L1462-V1571 HydrophobicContact CD1-CB 4.1Å; L1462-V1571 HydrophobicContact CD1-CG1 3.97Å; L1462-V1571 HydrophobicContact CD1-CG2 4.07Å; L1462-A1603 HydrophobicContact CD2-CB 3.69Å; L1462-A1603 HydrophobicContact CG-CB 4.05Å; L1462-L1606 HydrophobicContact CD2-CD1 4.3Å; L1462-L1606 HydrophobicContact CD2-CD2 4.49Å |
| 1463 | F | 80.3 | Confident | 75.4 | Confident | 47.4 Ų | 47.4 | 35.6 Ų | 35.6 | 21% | 0.208 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 174.5 | -78.8 | -66.7 | 0 | 0 | 0 | 113 | V1459 R1460 L1465 L1466 H1467 A1603 Y1604 | V1459-F1463 HydrophobicContact CG1-CD2 3.88Å; V1459-F1463 HydrophobicContact CG1-CE2 3.6Å; V1459-F1463 VanDerWaalsContact O-CD2 3.25Å; V1459-F1463 WeakPolarHBondContact O-CD2 3.22Å; V1459-F1463 PolarHBondContact O-N 3.28Å; R1460-F1463 PolarHBondContact O-N 3.16Å; F1463-L1465 VanDerWaalsContact C-N 3.34Å; F1463-L1465 PolarHBondContact O-N 3.08Å; F1463-L1466 HydrophobicContact CD1-CD1 4.3Å; F1463-L1466 WeakPolarHBondContact O-CB 3.32Å; F1463-L1466 PolarHBondContact O-N 3.14Å; F1463-H1467 WeakPolarHBondContact O-CB 3.43Å; F1463-H1467 PolarHBondContact O-N 3.17Å; F1463-A1603 HydrophobicContact CD1-CB 4.05Å; F1463-A1603 HydrophobicContact CD2-CB 4.4Å; F1463-A1603 HydrophobicContact CE1-CB 3.63Å; F1463-A1603 HydrophobicContact CE2-CB 4.02Å; F1463-A1603 HydrophobicContact CG-CB 4.42Å; F1463-A1603 HydrophobicContact CZ-CB 3.62Å; F1463-Y1604 HydrophobicContact CE1-CD1 4.16Å; F1463-Y1604 HydrophobicContact CE1-CD2 4.14Å; F1463-Y1604 AromaticContact CE1-CE1 3.87Å; F1463-Y1604 HydrophobicContact CE1-CE1 3.92Å; F1463-Y1604 AromaticContact CE1-CE2 3.88Å; F1463-Y1604 HydrophobicContact CE1-CE2 3.92Å; F1463-Y1604 HydrophobicContact CE1-CG 4.25Å; F1463-Y1604 AromaticContact CE1-CZ 3.79Å; F1463-Y1604 AromaticContact CZ-CD1 3.73Å; F1463-Y1604 HydrophobicContact CZ-CD1 3.73Å; F1463-Y1604 HydrophobicContact CZ-CD2 4.35Å; F1463-Y1604 AromaticContact CZ-CE1 3.81Å; F1463-Y1604 HydrophobicContact CZ-CE1 3.81Å; F1463-Y1604 HydrophobicContact CZ-CE2 4.44Å; F1463-Y1604 AromaticContact CZ-CG 3.93Å; F1463-Y1604 HydrophobicContact CZ-CG 4Å |
| 1464 | A | 77.7 | Confident | 74.6 | Confident | 48.4 Ų | 48.4 | 40.6 Ų | 40.6 | 40% | 0.4 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1460 R1461 L1462 L1466 H1467 D1468 A1503 | R1460-A1464 WeakPolarHBondContact O-CB 3.33Å; R1460-A1464 PolarHBondContact O-N 3.1Å; R1461-A1464 PolarHBondContact O-N 3.17Å; L1462-A1464 VanDerWaalsContact C-N 3.34Å; L1462-A1464 PolarHBondContact O-N 3.27Å; A1464-L1466 VanDerWaalsContact C-N 3.33Å; A1464-L1466 PolarHBondContact O-N 3.39Å; A1464-H1467 PolarHBondContact O-N 3.13Å; A1464-D1468 WeakPolarHBondContact O-CB 3.31Å; A1464-D1468 VanDerWaalsContact O-CG 3.27Å; A1464-D1468 PolarHBondContact O-N 3.1Å; A1464-A1503 HydrophobicContact CB-CB 4.4Å |
| 1465 | L | 78.2 | Confident | 73.7 | Confident | 19.4 Ų | 19.4 | 45.3 Ų | 45.3 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 175.3 | -72.3 | 168.1 | 0 | 0 | 0 | 112.4 | R1461 L1462 F1463 H1467 D1468 A1469 I1504 T1568 V1571 A1572 | R1461-L1465 HydrophobicContact CG-CD1 4.24Å; R1461-L1465 HydrophobicContact CG-CG 4.47Å; R1461-L1465 WeakPolarHBondContact O-CB 3.38Å; R1461-L1465 VanDerWaalsContact O-CG 3.27Å; R1461-L1465 WeakPolarHBondContact O-CG 3.37Å; R1461-L1465 PolarHBondContact O-N 3.18Å; L1462-L1465 WeakPolarHBondContact O-CB 3.25Å; L1462-L1465 PolarHBondContact O-N 3.05Å; L1462-L1465 VanDerWaalsContact O-N 3.14Å; F1463-L1465 VanDerWaalsContact C-N 3.34Å; F1463-L1465 PolarHBondContact O-N 3.08Å; L1465-H1467 VanDerWaalsContact C-N 3.34Å; L1465-D1468 PolarHBondContact O-N 2.9Å; L1465-A1469 VanDerWaalsContact O-CB 3.3Å; L1465-A1469 WeakPolarHBondContact O-CB 3.41Å; L1465-A1469 PolarHBondContact O-N 3.12Å; L1465-I1504 HydrophobicContact CD2-CD1 3.74Å; L1465-I1504 HydrophobicContact CD2-CG1 4.2Å; L1465-T1568 HydrophobicContact CD1-CG2 3.85Å; L1465-V1571 HydrophobicContact CB-CG1 4.31Å; L1465-V1571 HydrophobicContact CD1-CG1 4.22Å; L1465-A1572 HydrophobicContact CD1-CB 3.74Å; L1465-A1572 HydrophobicContact CD2-CB 4.38Å |
| 1466 | L | 78.7 | Confident | 72.7 | Confident | 9.6 Ų | 9.6 | 46.3 Ų | 46.3 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 174.7 | -68.9 | 171.4 | 0 | 0 | 0 | 111.5 | L1462 F1463 A1464 A1469 S1470 F1595 N1596 A1599 E1600 A1603 | L1462-L1466 HydrophobicContact CD1-CD1 4.44Å; L1462-L1466 HydrophobicContact CD1-CG 4.46Å; L1462-L1466 HydrophobicContact CG-CD1 4.22Å; L1462-L1466 WeakPolarHBondContact O-CB 3.34Å; L1462-L1466 VanDerWaalsContact O-CG 3.25Å; L1462-L1466 WeakPolarHBondContact O-CG 3.26Å; L1462-L1466 PolarHBondContact O-N 3.01Å; F1463-L1466 HydrophobicContact CD1-CD1 4.3Å; F1463-L1466 WeakPolarHBondContact O-CB 3.32Å; F1463-L1466 PolarHBondContact O-N 3.14Å; A1464-L1466 VanDerWaalsContact C-N 3.33Å; A1464-L1466 PolarHBondContact O-N 3.39Å; L1466-A1469 PolarHBondContact O-N 3.34Å; L1466-S1470 PolarHBondContact O-N 3.04Å; L1466-F1595 HydrophobicContact CD2-CD1 4.3Å; L1466-F1595 HydrophobicContact CD2-CE1 3.53Å; L1466-F1595 VanDerWaalsContact CD2-CE1 3.43Å; L1466-F1595 HydrophobicContact CD2-CZ 3.73Å; L1466-N1596 PolarHBondContact O-ND2 3.38Å; L1466-N1596 PolarHBondContact O-OD1 3.09Å; L1466-N1596 VanDerWaalsContact O-OD1 3.12Å; L1466-A1599 HydrophobicContact CD1-CB 4.43Å; L1466-A1599 HydrophobicContact CD2-CB 3.37Å; L1466-A1599 VanDerWaalsContact CD2-CB 3.42Å; L1466-E1600 HydrophobicContact CD1-CB 4.36Å; L1466-A1603 HydrophobicContact CD1-CB 3.84Å |
| 1467 | H | 75.5 | Confident | 71.3 | Confident | 124 Ų | 124 | 48.9 Ų | 48.9 | 57% | 0.574 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.3 | -42.4 | 176.2 | -172 | 56.5 | 0 | 0 | 0 | 111.8 | F1463 A1464 L1465 A1469 S1470 R1471 | F1463-H1467 WeakPolarHBondContact O-CB 3.43Å; F1463-H1467 PolarHBondContact O-N 3.17Å; A1464-H1467 PolarHBondContact O-N 3.13Å; L1465-H1467 VanDerWaalsContact C-N 3.34Å; H1467-A1469 VanDerWaalsContact C-N 3.32Å; H1467-A1469 PolarHBondContact O-N 3.27Å; H1467-S1470 WeakPolarHBondContact CA-OG 3.29Å; H1467-S1470 VanDerWaalsContact O-CB 3.28Å; H1467-S1470 WeakPolarHBondContact O-CB 3.36Å; H1467-S1470 PolarHBondContact O-N 3.2Å; H1467-S1470 VanDerWaalsContact O-N 3.16Å; H1467-S1470 PolarHBondContact O-OG 3.15Å; H1467-S1470 VanDerWaalsContact O-OG 3.04Å; H1467-R1471 VanDerWaalsContact CE1-CZ 3.5Å; H1467-R1471 PolarHBondContact CE1-NE 2.97Å; H1467-R1471 PolarHBondContact O-N 3.09Å; H1467-R1471 VanDerWaalsContact O-N 3.1Å |
| 1468 | D | 69.9 | Low | 69.9 | Low | 49.2 Ų | 49.2 | 53.1 Ų | 53.1 | 26% | 0.263 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 173.7 | -77.1 | -17.1 | 0 | 0 | 0 | 111.6 | A1464 L1465 S1470 R1471 I1472 A1503 Y1580 | A1464-D1468 WeakPolarHBondContact O-CB 3.31Å; A1464-D1468 VanDerWaalsContact O-CG 3.27Å; A1464-D1468 PolarHBondContact O-N 3.1Å; L1465-D1468 PolarHBondContact O-N 2.9Å; D1468-S1470 VanDerWaalsContact C-N 3.34Å; D1468-S1470 PolarHBondContact O-N 2.94Å; D1468-R1471 PolarHBondContact O-N 3.11Å; D1468-I1472 WeakPolarHBondContact O-CD1 3.4Å; D1468-I1472 VanDerWaalsContact O-CG1 3.29Å; D1468-I1472 WeakPolarHBondContact O-CG1 3.34Å; D1468-I1472 PolarHBondContact O-N 3.13Å; D1468-I1472 VanDerWaalsContact O-N 3.13Å; D1468-A1503 VanDerWaalsContact OD2-CB 3.23Å; D1468-A1503 WeakPolarHBondContact OD2-CB 3.3Å; D1468-A1503 PolarHBondContact OD2-N 3.45Å; D1468-Y1580 PolarHBondContact O-OH 3.44Å; D1468-Y1580 PolarHBondContact OD2-OH 3.12Å; D1468-Y1580 VanDerWaalsContact OD2-OH 3.05Å |
| 1469 | A | 71.5 | Confident | 68.5 | Low | 1.4 Ų | 1.4 | 56.7 Ų | 56.7 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1465 L1466 H1467 R1471 I1472 V1473 V1575 F1595 | L1465-A1469 VanDerWaalsContact O-CB 3.3Å; L1465-A1469 WeakPolarHBondContact O-CB 3.41Å; L1465-A1469 PolarHBondContact O-N 3.12Å; L1466-A1469 PolarHBondContact O-N 3.34Å; H1467-A1469 VanDerWaalsContact C-N 3.32Å; H1467-A1469 PolarHBondContact O-N 3.27Å; A1469-R1471 VanDerWaalsContact C-N 3.31Å; A1469-R1471 PolarHBondContact O-N 3.15Å; A1469-I1472 WeakPolarHBondContact O-CB 3.36Å; A1469-I1472 PolarHBondContact O-N 3.15Å; A1469-V1473 WeakPolarHBondContact O-CG2 3.27Å; A1469-V1473 PolarHBondContact O-N 2.96Å; A1469-V1473 VanDerWaalsContact O-N 3.13Å; A1469-V1575 HydrophobicContact CB-CG2 4.38Å; A1469-F1595 HydrophobicContact CB-CD1 3.68Å; A1469-F1595 HydrophobicContact CB-CE1 3.67Å; A1469-F1595 VanDerWaalsContact CB-CE1 3.47Å |
| 1470 | S | 72.5 | Confident | 66.7 | Low | 25.4 Ų | 25.4 | 60.4 Ų | 60.4 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 173.8 | 163.7 | 0 | 0 | 0 | 0 | 111.4 | L1466 H1467 D1468 I1472 V1473 E1474 N1596 | L1466-S1470 PolarHBondContact O-N 3.04Å; H1467-S1470 WeakPolarHBondContact CA-OG 3.29Å; H1467-S1470 VanDerWaalsContact O-CB 3.28Å; H1467-S1470 WeakPolarHBondContact O-CB 3.36Å; H1467-S1470 PolarHBondContact O-N 3.2Å; H1467-S1470 VanDerWaalsContact O-N 3.16Å; H1467-S1470 PolarHBondContact O-OG 3.15Å; H1467-S1470 VanDerWaalsContact O-OG 3.04Å; D1468-S1470 VanDerWaalsContact C-N 3.34Å; D1468-S1470 PolarHBondContact O-N 2.94Å; S1470-I1472 VanDerWaalsContact C-N 3.28Å; S1470-I1472 PolarHBondContact O-N 3.1Å; S1470-V1473 WeakPolarHBondContact O-CB 3.46Å; S1470-V1473 PolarHBondContact O-N 3.13Å; S1470-V1473 VanDerWaalsContact O-N 3.12Å; S1470-E1474 WeakPolarHBondContact O-CB 3.42Å; S1470-E1474 WeakPolarHBondContact O-CG 3.4Å; S1470-E1474 PolarHBondContact O-N 3.3Å; S1470-E1474 PolarHBondContact OG-OE1 3.26Å; S1470-N1596 WeakPolarHBondContact CA-ND2 3.39Å; S1470-N1596 VanDerWaalsContact CB-ND2 3.29Å; S1470-N1596 WeakPolarHBondContact CB-ND2 3.3Å; S1470-N1596 PolarHBondContact N-ND2 3.3Å; S1470-N1596 PolarHBondContact OG-ND2 3.34Å; S1470-N1596 VanDerWaalsContact OG-ND2 3.16Å |
| 1471 | R | 68.3 | Low | 64.9 | Low | 133.4 Ų | 133.4 | 62 Ų | 62 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 179.8 | -152.9 | 179.1 | 159.1 | -174.9 | 1.7 | 111.8 | H1467 D1468 A1469 V1473 E1474 M1475 S1500 Y1580 | H1467-R1471 VanDerWaalsContact CE1-CZ 3.5Å; H1467-R1471 PolarHBondContact CE1-NE 2.97Å; H1467-R1471 PolarHBondContact O-N 3.09Å; H1467-R1471 VanDerWaalsContact O-N 3.1Å; D1468-R1471 PolarHBondContact O-N 3.11Å; A1469-R1471 VanDerWaalsContact C-N 3.31Å; A1469-R1471 PolarHBondContact O-N 3.15Å; R1471-V1473 VanDerWaalsContact C-N 3.33Å; R1471-V1473 PolarHBondContact O-N 2.67Å; R1471-E1474 PolarHBondContact O-N 3.36Å; R1471-M1475 HydrophobicContact CG-SD 4.19Å; R1471-M1475 WeakPolarHBondContact O-CB 3.34Å; R1471-M1475 VanDerWaalsContact O-CG 3.27Å; R1471-M1475 WeakPolarHBondContact O-CG 3.4Å; R1471-M1475 PolarHBondContact O-N 3.32Å; R1471-M1475 VanDerWaalsContact O-N 3.11Å; R1471-S1500 PolarHBondContact NH1-O 3.07Å; R1471-Y1580 VanDerWaalsContact CZ-OH 3.24Å; R1471-Y1580 PolarHBondContact NE-OH 3.37Å; R1471-Y1580 PolarHBondContact NH2-OH 3.15Å |
| 1472 | I | 64.4 | Low | 63.2 | Low | 23.6 Ų | 23.6 | 62.6 Ų | 62.6 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.4 | -70.8 | 165 | 0 | 0 | 0 | 111.4 | D1468 A1469 S1470 S1476 V1575 Y1580 L1585 L1592 | D1468-I1472 WeakPolarHBondContact O-CD1 3.4Å; D1468-I1472 VanDerWaalsContact O-CG1 3.29Å; D1468-I1472 WeakPolarHBondContact O-CG1 3.34Å; D1468-I1472 PolarHBondContact O-N 3.13Å; D1468-I1472 VanDerWaalsContact O-N 3.13Å; A1469-I1472 WeakPolarHBondContact O-CB 3.36Å; A1469-I1472 PolarHBondContact O-N 3.15Å; S1470-I1472 VanDerWaalsContact C-N 3.28Å; S1470-I1472 PolarHBondContact O-N 3.1Å; I1472-S1476 PolarHBondContact O-N 3.12Å; I1472-V1575 HydrophobicContact CD1-CG1 4.43Å; I1472-Y1580 HydrophobicContact CD1-CD2 4.33Å; I1472-Y1580 HydrophobicContact CD1-CE2 3.92Å; I1472-Y1580 HydrophobicContact CG1-CD1 4.35Å; I1472-Y1580 HydrophobicContact CG1-CD2 4.39Å; I1472-Y1580 HydrophobicContact CG1-CE1 3.84Å; I1472-Y1580 HydrophobicContact CG1-CE2 3.85Å; I1472-L1585 HydrophobicContact CB-CD2 4.28Å; I1472-L1585 HydrophobicContact CG1-CD2 4.35Å; I1472-L1585 HydrophobicContact CG2-CD1 4.25Å; I1472-L1585 HydrophobicContact CG2-CD2 3.77Å; I1472-L1585 VanDerWaalsContact CG2-CD2 3.4Å; I1472-L1585 HydrophobicContact CG2-CG 4.17Å; I1472-L1592 HydrophobicContact CG2-CD1 4.11Å |
| 1473 | V | 63.6 | Low | 61.2 | Low | 25.4 Ų | 25.4 | 68.3 Ų | 68.3 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 179.1 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | A1469 S1470 R1471 M1475 S1476 T1477 L1592 | A1469-V1473 WeakPolarHBondContact O-CG2 3.27Å; A1469-V1473 PolarHBondContact O-N 2.96Å; A1469-V1473 VanDerWaalsContact O-N 3.13Å; S1470-V1473 WeakPolarHBondContact O-CB 3.46Å; S1470-V1473 PolarHBondContact O-N 3.13Å; S1470-V1473 VanDerWaalsContact O-N 3.12Å; R1471-V1473 VanDerWaalsContact C-N 3.33Å; R1471-V1473 PolarHBondContact O-N 2.67Å; V1473-M1475 VanDerWaalsContact C-N 3.29Å; V1473-M1475 PolarHBondContact O-N 3.27Å; V1473-S1476 WeakPolarHBondContact O-CB 3.34Å; V1473-S1476 PolarHBondContact O-N 3.04Å; V1473-S1476 VanDerWaalsContact O-N 3.12Å; V1473-S1476 PolarHBondContact O-OG 3.06Å; V1473-T1477 HydrophobicContact CG1-CG2 4.48Å; V1473-T1477 PolarHBondContact O-N 3.16Å; V1473-L1592 HydrophobicContact CG2-CB 3.91Å |
| 1474 | E | 63.9 | Low | 59.3 | Low | 107.4 Ų | 107.4 | 70.7 Ų | 70.7 | 50% | 0.502 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 179.8 | -73.8 | 171.3 | -162.3 | 0 | 0 | 113 | S1470 R1471 S1476 T1477 N1478 | S1470-E1474 WeakPolarHBondContact O-CB 3.42Å; S1470-E1474 WeakPolarHBondContact O-CG 3.4Å; S1470-E1474 PolarHBondContact O-N 3.3Å; S1470-E1474 PolarHBondContact OG-OE1 3.26Å; R1471-E1474 PolarHBondContact O-N 3.36Å; E1474-S1476 VanDerWaalsContact C-N 3.26Å; E1474-S1476 PolarHBondContact O-N 3.17Å; E1474-T1477 WeakPolarHBondContact CA-OG1 3.41Å; E1474-T1477 PolarHBondContact O-N 3.27Å; E1474-T1477 VanDerWaalsContact O-N 3.13Å; E1474-T1477 PolarHBondContact O-OG1 3.05Å; E1474-N1478 PolarHBondContact O-N 3.04Å; E1474-N1478 VanDerWaalsContact O-N 3.11Å |
| 1475 | M | 58.2 | Low | 57.5 | Low | 101.8 Ų | 101.8 | 74.7 Ų | 74.7 | 50% | 0.501 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -35 | 173.8 | -74 | 177.5 | 67.7 | 0 | 0 | 111.9 | R1471 V1473 T1477 E1479 Y1580 L1585 | R1471-M1475 HydrophobicContact CG-SD 4.19Å; R1471-M1475 WeakPolarHBondContact O-CB 3.34Å; R1471-M1475 VanDerWaalsContact O-CG 3.27Å; R1471-M1475 WeakPolarHBondContact O-CG 3.4Å; R1471-M1475 PolarHBondContact O-N 3.32Å; R1471-M1475 VanDerWaalsContact O-N 3.11Å; V1473-M1475 VanDerWaalsContact C-N 3.29Å; V1473-M1475 PolarHBondContact O-N 3.27Å; M1475-T1477 VanDerWaalsContact C-N 3.32Å; M1475-T1477 PolarHBondContact O-N 3.14Å; M1475-E1479 PolarHBondContact O-N 2.92Å; M1475-Y1580 HydrophobicContact CE-CE1 4.48Å; M1475-Y1580 HydrophobicContact SD-CD1 4.48Å; M1475-Y1580 HydrophobicContact SD-CE1 3.84Å; M1475-L1585 HydrophobicContact CB-CD2 3.54Å; M1475-L1585 HydrophobicContact CE-CD2 3.85Å; M1475-L1585 HydrophobicContact SD-CD2 4.44Å |
| 1476 | S | 52.2 | Low | 55.4 | Low | 26.4 Ų | 26.4 | 78.1 Ų | 78.1 | 19% | 0.185 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -72 | -30.2 | 177.8 | 76.8 | 0 | 0 | 0 | 0 | 113.4 | I1472 V1473 E1474 T1480 | I1472-S1476 PolarHBondContact O-N 3.12Å; V1473-S1476 WeakPolarHBondContact O-CB 3.34Å; V1473-S1476 PolarHBondContact O-N 3.04Å; V1473-S1476 VanDerWaalsContact O-N 3.12Å; V1473-S1476 PolarHBondContact O-OG 3.06Å; E1474-S1476 VanDerWaalsContact C-N 3.26Å; E1474-S1476 PolarHBondContact O-N 3.17Å; S1476-T1480 PolarHBondContact O-OG1 3.17Å |
| 1477 | T | 51.5 | Low | 53.3 | Low | 60.4 Ų | 60.4 | 86.4 Ų | 86.4 | 37% | 0.371 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -81.4 | -35.6 | 179.6 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | V1473 E1474 M1475 E1479 T1480 L1481 | V1473-T1477 HydrophobicContact CG1-CG2 4.48Å; V1473-T1477 PolarHBondContact O-N 3.16Å; E1474-T1477 WeakPolarHBondContact CA-OG1 3.41Å; E1474-T1477 PolarHBondContact O-N 3.27Å; E1474-T1477 VanDerWaalsContact O-N 3.13Å; E1474-T1477 PolarHBondContact O-OG1 3.05Å; M1475-T1477 VanDerWaalsContact C-N 3.32Å; M1475-T1477 PolarHBondContact O-N 3.14Å; T1477-E1479 PolarHBondContact O-N 2.8Å; T1477-T1480 WeakPolarHBondContact CA-OG1 3.34Å; T1477-T1480 PolarHBondContact O-N 3.31Å; T1477-T1480 VanDerWaalsContact O-N 3.16Å; T1477-T1480 PolarHBondContact O-OG1 3.3Å; T1477-L1481 PolarHBondContact O-N 3.16Å |
| 1478 | N | 47 | Very low | 51.2 | Low | 99 Ų | 99 | 89.8 Ų | 89.8 | 53% | 0.529 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.8 | -37.2 | -176.5 | -71.5 | -13.5 | 0 | 0 | 0 | 112.6 | E1474 T1480 L1481 E1482 | E1474-N1478 PolarHBondContact O-N 3.04Å; E1474-N1478 VanDerWaalsContact O-N 3.11Å; N1478-T1480 VanDerWaalsContact C-N 3.29Å; N1478-T1480 PolarHBondContact O-N 3.04Å; N1478-L1481 WeakPolarHBondContact O-CB 3.49Å; N1478-L1481 PolarHBondContact O-N 3.22Å; N1478-L1481 VanDerWaalsContact O-N 3.09Å; N1478-E1482 WeakPolarHBondContact O-CG 3.37Å; N1478-E1482 PolarHBondContact O-N 3.02Å; N1478-E1482 VanDerWaalsContact O-N 3.13Å |
| 1479 | E | 47.7 | Very low | 49.4 | Very low | 85.4 Ų | 85.4 | 92.7 Ų | 92.7 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.8 | -26.6 | 175.2 | -73.5 | -169.2 | 172.6 | 0 | 0 | 113.3 | M1475 T1477 L1481 E1482 L1483 E1498 R1586 | M1475-E1479 PolarHBondContact O-N 2.92Å; T1477-E1479 PolarHBondContact O-N 2.8Å; E1479-L1481 VanDerWaalsContact C-N 3.29Å; E1479-L1481 PolarHBondContact O-N 3.36Å; E1479-E1482 PolarHBondContact O-N 3.16Å; E1479-L1483 WeakPolarHBondContact O-CD1 3.37Å; E1479-L1483 WeakPolarHBondContact O-CG 3.43Å; E1479-L1483 PolarHBondContact O-N 3.07Å; E1479-E1498 VanDerWaalsContact OE1-OE2 3.08Å; E1479-R1586 IonicContact OE2-CZ 3.48Å; E1479-R1586 IonicContact OE2-NE 3.7Å; E1479-R1586 IonicContact OE2-NH1 3.33Å; E1479-R1586 PolarHBondContact OE2-NH1 2.97Å; E1479-R1586 IonicContact OE2-NH2 3.16Å; E1479-R1586 PolarHBondContact OE2-NH2 2.96Å |
| 1480 | T | 42.1 | Very low | 47.4 | Very low | 78.6 Ų | 78.6 | 100.1 Ų | 100.1 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.5 | -29.3 | 174.4 | 38.3 | 0 | 0 | 0 | 0 | 112.4 | S1476 T1477 N1478 L1483 T1484 | S1476-T1480 PolarHBondContact O-OG1 3.17Å; T1477-T1480 WeakPolarHBondContact CA-OG1 3.34Å; T1477-T1480 PolarHBondContact O-N 3.31Å; T1477-T1480 VanDerWaalsContact O-N 3.16Å; T1477-T1480 PolarHBondContact O-OG1 3.3Å; N1478-T1480 VanDerWaalsContact C-N 3.29Å; N1478-T1480 PolarHBondContact O-N 3.04Å; T1480-L1483 PolarHBondContact O-N 2.72Å; T1480-T1484 WeakPolarHBondContact O-CG2 3.34Å; T1480-T1484 PolarHBondContact O-N 2.95Å; T1480-T1484 PolarHBondContact O-OG1 3.27Å |
| 1481 | L | 41.1 | Very low | 45.3 | Very low | 103.2 Ų | 103.2 | 103.7 Ų | 103.7 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.8 | -35.2 | 176.6 | -77.5 | 163.9 | 0 | 0 | 0 | 112.7 | T1477 N1478 E1479 L1483 T1484 N1485 | T1477-L1481 PolarHBondContact O-N 3.16Å; N1478-L1481 WeakPolarHBondContact O-CB 3.49Å; N1478-L1481 PolarHBondContact O-N 3.22Å; N1478-L1481 VanDerWaalsContact O-N 3.09Å; E1479-L1481 VanDerWaalsContact C-N 3.29Å; E1479-L1481 PolarHBondContact O-N 3.36Å; L1481-L1483 VanDerWaalsContact C-N 3.32Å; L1481-L1483 PolarHBondContact O-N 3.13Å; L1481-T1484 WeakPolarHBondContact CA-OG1 3.33Å; L1481-T1484 PolarHBondContact O-N 3.2Å; L1481-T1484 VanDerWaalsContact O-N 3.1Å; L1481-T1484 PolarHBondContact O-OG1 3.14Å; L1481-N1485 PolarHBondContact O-N 3.22Å |
| 1482 | E | 42.6 | Very low | 43.4 | Very low | 143 Ų | 143 | 104.3 Ų | 104.3 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -31.3 | 177 | -71.5 | -170.7 | 167.2 | 0 | 0 | 113.1 | N1478 E1479 T1484 N1485 S1486 | N1478-E1482 WeakPolarHBondContact O-CG 3.37Å; N1478-E1482 PolarHBondContact O-N 3.02Å; N1478-E1482 VanDerWaalsContact O-N 3.13Å; E1479-E1482 PolarHBondContact O-N 3.16Å; E1482-T1484 VanDerWaalsContact C-N 3.29Å; E1482-T1484 PolarHBondContact O-N 3.34Å; E1482-N1485 PolarHBondContact O-N 2.83Å; E1482-S1486 PolarHBondContact O-N 3.02Å; E1482-S1486 PolarHBondContact O-OG 3.01Å |
| 1483 | L | 39.1 | Very low | 41.8 | Very low | 121.4 Ų | 121.4 | 112 Ų | 112 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.1 | -21.6 | 174.7 | -73.2 | 171.3 | 0 | 0 | 0 | 113.6 | E1479 T1480 L1481 | E1479-L1483 WeakPolarHBondContact O-CD1 3.37Å; E1479-L1483 WeakPolarHBondContact O-CG 3.43Å; E1479-L1483 PolarHBondContact O-N 3.07Å; T1480-L1483 PolarHBondContact O-N 2.72Å; L1481-L1483 VanDerWaalsContact C-N 3.32Å; L1481-L1483 PolarHBondContact O-N 3.13Å |
| 1484 | T | 39.8 | Very low | 40 | Very low | 97.8 Ų | 97.8 | 118.7 Ų | 118.7 | 60% | 0.6 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -86.6 | -22 | 176.5 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | T1480 L1481 E1482 | T1480-T1484 WeakPolarHBondContact O-CG2 3.34Å; T1480-T1484 PolarHBondContact O-N 2.95Å; T1480-T1484 PolarHBondContact O-OG1 3.27Å; L1481-T1484 WeakPolarHBondContact CA-OG1 3.33Å; L1481-T1484 PolarHBondContact O-N 3.2Å; L1481-T1484 VanDerWaalsContact O-N 3.1Å; L1481-T1484 PolarHBondContact O-OG1 3.14Å; E1482-T1484 VanDerWaalsContact C-N 3.29Å; E1482-T1484 PolarHBondContact O-N 3.34Å |
| 1485 | N | 40.1 | Very low | 38.2 | Very low | 133.6 Ų | 133.6 | 118 Ų | 118 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -98.4 | -5.2 | -179.9 | -83.5 | -21.2 | 0 | 0 | 0 | 114.7 | L1481 E1482 Q1487 | L1481-N1485 PolarHBondContact O-N 3.22Å; E1482-N1485 PolarHBondContact O-N 2.83Å; N1485-Q1487 VanDerWaalsContact C-N 3.26Å; N1485-Q1487 PolarHBondContact O-N 3.2Å; N1485-Q1487 VanDerWaalsContact O-N 3.13Å |
| 1486 | S | 33.9 | Very low | 36.7 | Very low | 90.6 Ų | 90.6 | 118.6 Ų | 118.6 | 63% | 0.634 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 20.1 | -179.1 | -25.6 | 0 | 0 | 0 | 0 | 114.8 | E1482 | E1482-S1486 PolarHBondContact O-N 3.02Å; E1482-S1486 PolarHBondContact O-OG 3.01Å |
| 1487 | Q | 34.1 | Very low | 35.6 | Very low | 184.2 Ų | 184.2 | 127 Ų | 127 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 18.3 | 171.3 | -88.7 | -168.4 | -18.3 | 0 | 0 | 114.5 | N1485 | N1485-Q1487 VanDerWaalsContact C-N 3.26Å; N1485-Q1487 PolarHBondContact O-N 3.2Å; N1485-Q1487 VanDerWaalsContact O-N 3.13Å |
| 1488 | K | 32.6 | Very low | 34.5 | Very low | 194.2 Ų | 194.2 | 132.1 Ų | 132.1 | 84% | 0.844 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -152.3 | 89.8 | 168.9 | -91.9 | 177.7 | 178.7 | 172.8 | 0 | 112.8 | ||
| 1489 | S | 30.7 | Very low | 33.8 | Very low | 110.8 Ų | 110.8 | 133.8 Ų | 133.8 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | 164.5 | 112.9 | 142.9 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1490 | D | 30.7 | Very low | 32.9 | Very low | 156.4 Ų | 156.4 | 134.8 Ų | 134.8 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | trans | -29.7 | 129.2 | 156.8 | -72.6 | -35.2 | 0 | 0 | 0 | 114.7 | ||||
| 1491 | S | 28.4 | Very low | 32.3 | Very low | 101.8 Ų | 101.8 | 136.5 Ų | 136.5 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | trans | 55.2 | 124.9 | 150.1 | 57.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1492 | D | 28.3 | Very low | 32 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | 74.3 | 86.4 | 149.6 | -60.4 | -19.9 | 0 | 0 | 0 | 118.6 | ||||
| 1493 | Q | 29.3 | Very low | 31.5 | Very low | 184.6 Ų | 184.6 | 134 Ų | 134 | 86% | 0.863 | 75% | 0.75 | S | S | * | * | -178.2 | 100.6 | 117.4 | -88.5 | 173.2 | 47.1 | 0 | 0 | 112.6 | S1495 | Q1493-S1495 PolarHBondContact O-N 3.23Š| |||
| 1494 | L | 26.5 | Very low | 31.2 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -28 | 111 | 153 | -80.6 | 139.3 | 0 | 0 | 0 | 114.5 | S1496 | L1494-S1496 PolarHBondContact O-N 3.39Š| ||
| 1495 | S | 25.7 | Very low | 30.9 | Very low | 93.6 Ų | 93.6 | 135.1 Ų | 135.1 | 66% | 0.655 | 76% | 0.758 | S | S | * | * | trans | 80.6 | 116.1 | 143.7 | 62 | 0 | 0 | 0 | 0 | 116.1 | Q1493 Y1497 | Q1493-S1495 PolarHBondContact O-N 3.23Å; S1495-Y1497 VanDerWaalsContact C-N 3.32Å; S1495-Y1497 WeakPolarHBondContact O-CD2 3.39Å; S1495-Y1497 PolarHBondContact O-N 3.16Å | ||
| 1496 | S | 27.3 | Very low | 30.4 | Very low | 113.8 Ų | 113.8 | 135.7 Ų | 135.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -136.7 | 98.9 | 150.5 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | L1494 E1498 | L1494-S1496 PolarHBondContact O-N 3.39Å; S1496-E1498 PolarHBondContact O-N 3.17Å | ||
| 1497 | Y | 28.3 | Very low | 30.3 | Very low | 201.8 Ų | 201.8 | 142.1 Ų | 142.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -57.8 | 108.8 | 149.2 | -83.8 | -93.3 | 0 | 0 | 0 | 109.9 | S1495 L1499 H1704 Y1715 | S1495-Y1497 VanDerWaalsContact C-N 3.32Å; S1495-Y1497 WeakPolarHBondContact O-CD2 3.39Å; S1495-Y1497 PolarHBondContact O-N 3.16Å; Y1497-L1499 PolarHBondContact O-N 3.02Å; Y1497-H1704 AromaticContact CD1-CE1 3.56Å; Y1497-H1704 AromaticContact CD1-NE2 3.13Å; Y1497-H1704 WeakPolarHBondContact CD1-NE2 3.4Å; Y1497-H1704 AromaticContact CE1-CE1 3.82Å; Y1497-H1704 AromaticContact CE1-NE2 3.67Å; Y1497-H1704 AromaticContact CG-NE2 3.5Å; Y1497-Y1715 PolarHBondContact O-OH 2.78Å | ||
| 1498 | E | 29.4 | Very low | 30.3 | Very low | 167.6 Ų | 167.6 | 138.1 Ų | 138.1 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -92.6 | 109.7 | 161.6 | -75.9 | -174.1 | 152.3 | 0 | 0 | 109.2 | E1479 S1496 S1500 R1586 | E1479-E1498 VanDerWaalsContact OE1-OE2 3.08Å; S1496-E1498 PolarHBondContact O-N 3.17Å; E1498-S1500 PolarHBondContact O-N 3.13Å; E1498-R1586 IonicContact OE2-NH2 3.03Å; E1498-R1586 PolarHBondContact OE2-NH2 3.12Å | ||
| 1499 | L | 31.3 | Very low | 30.5 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | trans | -78.5 | 118.2 | 176 | -90.3 | 94.3 | 0 | 0 | 0 | 110.2 | Y1497 H1704 S1708 Y1715 | Y1497-L1499 PolarHBondContact O-N 3.02Å; L1499-H1704 WeakPolarHBondContact CD1-CE1 3.39Å; L1499-S1708 WeakPolarHBondContact CD2-OG 3.33Å; L1499-Y1715 HydrophobicContact CB-CD2 4.3Å; L1499-Y1715 HydrophobicContact CB-CE2 4Å | ||
| 1500 | S | 29.1 | Very low | 31.1 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 145.9 | 166.6 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | R1471 E1498 | R1471-S1500 PolarHBondContact NH1-O 3.07Å; E1498-S1500 PolarHBondContact O-N 3.13Å |
| 1501 | P | 30.3 | Very low | 32.1 | Very low | 113.8 Ų | 113.8 | 129.7 Ų | 129.7 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 154.7 | -176 | 18.9 | -18.2 | 0 | 0 | 0 | 112.3 | A1503 | P1501-A1503 PolarHBondContact O-N 3.18Š|
| 1502 | P | 33.4 | Very low | 33.7 | Very low | 105.8 Ų | 105.8 | 127.4 Ų | 127.4 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.8 | -165.2 | 26.7 | -32 | 0 | 0 | 0 | 112.4 | I1504 Y1580 | P1502-I1504 VanDerWaalsContact C-N 3.26Å; P1502-I1504 PolarHBondContact O-N 3.15Å; P1502-Y1580 HydrophobicContact CB-CE2 4.47Å |
| 1503 | A | 32.6 | Very low | 35.4 | Very low | 87.4 Ų | 87.4 | 123.2 Ų | 123.2 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 105.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | A1464 D1468 P1501 P1505 | A1464-A1503 HydrophobicContact CB-CB 4.4Å; D1468-A1503 VanDerWaalsContact OD2-CB 3.23Å; D1468-A1503 WeakPolarHBondContact OD2-CB 3.3Å; D1468-A1503 PolarHBondContact OD2-N 3.45Å; P1501-A1503 PolarHBondContact O-N 3.18Å; A1503-P1505 WeakPolarHBondContact O-CD 3.49Å |
| 1504 | I | 33.3 | Very low | 37.3 | Very low | 123.2 Ų | 123.2 | 115 Ų | 115 | 63% | 0.632 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126.9 | 166 | -59.4 | 169.2 | 0 | 0 | 0 | 108 | L1465 P1502 M1506 V1575 | L1465-I1504 HydrophobicContact CD2-CD1 3.74Å; L1465-I1504 HydrophobicContact CD2-CG1 4.2Å; P1502-I1504 VanDerWaalsContact C-N 3.26Å; P1502-I1504 PolarHBondContact O-N 3.15Å; I1504-M1506 VanDerWaalsContact C-N 3.28Å; I1504-M1506 PolarHBondContact O-N 2.95Å; I1504-M1506 VanDerWaalsContact O-N 3.11Å; I1504-V1575 HydrophobicContact CD1-CG1 4.17Å |
| 1505 | P | 32.9 | Very low | 39.5 | Very low | 120 Ų | 120 | 110.2 Ų | 110.2 | 78% | 0.779 | 62% | 0.62 | S | S | * | * | trans | -70.8 | 111.9 | -174.6 | 9.9 | -7.2 | 0 | 0 | 0 | 111.4 | A1503 R1507 | A1503-P1505 WeakPolarHBondContact O-CD 3.49Å; P1505-R1507 PolarHBondContact O-N 3.49Å | ||
| 1506 | M | 30.2 | Very low | 41.7 | Very low | 146.4 Ų | 146.4 | 106.2 Ų | 106.2 | 72% | 0.721 | 59% | 0.591 | S | S | * | * | trans | -77.7 | 120.4 | 170.1 | -73.4 | -89.2 | 177.6 | 0 | 0 | 110 | I1504 S1508 Y1580 | I1504-M1506 VanDerWaalsContact C-N 3.28Å; I1504-M1506 PolarHBondContact O-N 2.95Å; I1504-M1506 VanDerWaalsContact O-N 3.11Å; M1506-S1508 PolarHBondContact O-N 3.23Å; M1506-Y1580 HydrophobicContact CE-CD1 3.35Å; M1506-Y1580 HydrophobicContact CE-CD2 3.89Å; M1506-Y1580 HydrophobicContact CE-CE1 4.13Å; M1506-Y1580 HydrophobicContact CE-CG 3.22Å; M1506-Y1580 WeakPolarHBondContact SD-CB 3.21Å; M1506-Y1580 HydrophobicContact SD-CD1 4.46Å; M1506-Y1580 HydrophobicContact SD-CG 3.94Å | ||
| 1507 | R | 31.5 | Very low | 44.1 | Very low | 225 Ų | 225 | 101.5 Ų | 101.5 | 85% | 0.849 | 56% | 0.556 | S | S | * | * | trans | -45.3 | 103.7 | 167.2 | -111.5 | 178.2 | -178.9 | 169.3 | 1.6 | 111.4 | P1505 S1509 D1821 | P1505-R1507 PolarHBondContact O-N 3.49Å; R1507-S1509 PolarHBondContact O-N 3.05Å; R1507-S1509 VanDerWaalsContact O-N 3.14Å; R1507-D1821 IonicContact CZ-OD1 3.28Å; R1507-D1821 IonicContact CZ-OD2 2.97Å; R1507-D1821 IonicContact NE-OD1 3.58Å; R1507-D1821 PolarHBondContact NE-OD1 3.38Å; R1507-D1821 IonicContact NE-OD2 3.11Å; R1507-D1821 IonicContact NH1-OD1 2.84Å; R1507-D1821 PolarHBondContact NH1-OD1 3.42Å; R1507-D1821 IonicContact NH1-OD2 3.16Å; R1507-D1821 PolarHBondContact NH1-OD2 3.45Å; R1507-D1821 VanDerWaalsContact NH2-CG 3.31Å; R1507-D1821 IonicContact NH2-OD1 2.74Å; R1507-D1821 PolarHBondContact NH2-OD1 2.98Å; R1507-D1821 IonicContact NH2-OD2 3.15Å; R1507-D1821 PolarHBondContact NH2-OD2 2.99Å | ||
| 1508 | S | 34.2 | Very low | 46.6 | Very low | 99.8 Ų | 99.8 | 96.5 Ų | 96.5 | 70% | 0.698 | 54% | 0.54 | S | S | * | . | trans | -63.1 | 98.2 | 165.8 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | M1506 N1510 | M1506-S1508 PolarHBondContact O-N 3.23Å; S1508-N1510 VanDerWaalsContact C-N 3.32Å; S1508-N1510 PolarHBondContact O-N 3.04Å; S1508-N1510 VanDerWaalsContact O-N 3.13Å | ||
| 1509 | S | 37.5 | Very low | 49 | Very low | 75.6 Ų | 75.6 | 92.9 Ų | 92.9 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | trans | -77.3 | 103.6 | 162.3 | 52.7 | 0 | 0 | 0 | 0 | 107.2 | R1507 L1511 R1581 | R1507-S1509 PolarHBondContact O-N 3.05Å; R1507-S1509 VanDerWaalsContact O-N 3.14Å; S1509-L1511 VanDerWaalsContact C-N 3.27Å; S1509-L1511 PolarHBondContact O-N 3.02Å; S1509-R1581 PolarHBondContact OG-NH2 3.24Å | ||
| 1510 | N | 43.4 | Very low | 51.3 | Low | 147.8 Ų | 147.8 | 86.5 Ų | 86.5 | 79% | 0.79 | 49% | 0.49 | S | S | * | . | trans | -71.6 | 62.5 | 171.1 | -69.8 | -20.2 | 0 | 0 | 0 | 109.5 | S1508 | S1508-N1510 VanDerWaalsContact C-N 3.32Å; S1508-N1510 PolarHBondContact O-N 3.04Å; S1508-N1510 VanDerWaalsContact O-N 3.13Å | ||
| 1511 | L | 52.2 | Low | 53.8 | Low | 62.2 Ų | 62.2 | 81.5 Ų | 81.5 | 33% | 0.326 | 46% | 0.455 | S | S | . | . | trans | -75.7 | 131.9 | 172.1 | -124.1 | 76.5 | 0 | 0 | 0 | 108.3 | S1509 L1513 D1515 I1516 Q1584 | S1509-L1511 VanDerWaalsContact C-N 3.27Å; S1509-L1511 PolarHBondContact O-N 3.02Å; L1511-L1513 PolarHBondContact O-N 3.01Å; L1511-D1515 HydrophobicContact CD2-CB 3.72Å; L1511-D1515 HydrophobicContact CG-CB 4.02Å; L1511-I1516 HydrophobicContact CB-CG1 4.35Å; L1511-Q1584 PolarHBondContact O-NE2 3.13Å; L1511-Q1584 VanDerWaalsContact O-NE2 3.14Å | ||
| 1512 | P | 61.5 | Low | 56.2 | Low | 54 Ų | 54 | 80.8 Ų | 80.8 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | trans | -53.2 | 142.5 | 170.4 | -16.4 | 21.9 | 0 | 0 | 0 | 111.3 | V1514 D1515 I1516 | P1512-V1514 PolarHBondContact O-N 3.29Å; P1512-V1514 VanDerWaalsContact O-N 3.09Å; P1512-D1515 VanDerWaalsContact CD-OD2 3.27Å; P1512-D1515 WeakPolarHBondContact CD-OD2 3.37Å; P1512-D1515 VanDerWaalsContact CG-OD2 3.31Å; P1512-D1515 WeakPolarHBondContact CG-OD2 3.36Å; P1512-D1515 WeakPolarHBondContact O-CB 3.43Å; P1512-D1515 PolarHBondContact O-N 3.25Å; P1512-D1515 VanDerWaalsContact O-N 3.1Å; P1512-I1516 PolarHBondContact O-N 3.05Å | ||
| 1513 | L | 64.2 | Low | 58.6 | Low | 55.4 Ų | 55.4 | 76.8 Ų | 76.8 | 29% | 0.29 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -53.6 | -33 | 179.5 | -174.4 | 67.7 | 0 | 0 | 0 | 113 | L1511 D1515 I1516 Y1517 S1587 A1654 | L1511-L1513 PolarHBondContact O-N 3.01Å; L1513-D1515 VanDerWaalsContact C-N 3.35Å; L1513-D1515 PolarHBondContact O-N 3.36Å; L1513-I1516 WeakPolarHBondContact O-CB 3.35Å; L1513-I1516 PolarHBondContact O-N 3.08Å; L1513-Y1517 HydrophobicContact CD1-CE2 4.05Å; L1513-Y1517 HydrophobicContact CD2-CE2 3.91Å; L1513-Y1517 HydrophobicContact CG-CD2 4.25Å; L1513-Y1517 HydrophobicContact CG-CE2 3.61Å; L1513-Y1517 VanDerWaalsContact O-CD2 3.32Å; L1513-Y1517 WeakPolarHBondContact O-CD2 3.38Å; L1513-Y1517 PolarHBondContact O-N 2.98Å; L1513-S1587 WeakPolarHBondContact CD1-OG 3.16Å; L1513-A1654 HydrophobicContact CD2-CB 4.36Å |
| 1514 | V | 68.1 | Low | 61.1 | Low | 12.8 Ų | 12.8 | 72.7 Ų | 72.7 | 8% | 0.078 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 175.9 | 175 | 0 | 0 | 0 | 0 | 112 | P1512 I1516 Y1517 E1518 K1651 A1654 F1655 | P1512-V1514 PolarHBondContact O-N 3.29Å; P1512-V1514 VanDerWaalsContact O-N 3.09Å; V1514-I1516 VanDerWaalsContact C-N 3.3Å; V1514-I1516 PolarHBondContact O-N 3.09Å; V1514-Y1517 PolarHBondContact O-N 3.13Å; V1514-E1518 PolarHBondContact O-N 3.38Å; V1514-E1518 VanDerWaalsContact O-N 3.08Å; V1514-K1651 HydrophobicContact CG1-CD 4.47Å; V1514-K1651 HydrophobicContact CG1-CG 4.19Å; V1514-A1654 HydrophobicContact CG2-CB 4.28Å; V1514-F1655 HydrophobicContact CG1-CD2 4.13Å; V1514-F1655 HydrophobicContact CG1-CE2 3.48Å; V1514-F1655 VanDerWaalsContact CG1-CE2 3.41Å; V1514-F1655 HydrophobicContact CG1-CZ 4.2Å; V1514-F1655 HydrophobicContact CG2-CD2 4.33Å; V1514-F1655 HydrophobicContact CG2-CE2 4.31Å |
| 1515 | D | 72.4 | Confident | 63.4 | Low | 66 Ų | 66 | 69.4 Ų | 69.4 | 35% | 0.353 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70 | -30.6 | -178.5 | -63.8 | -5 | 0 | 0 | 0 | 111 | L1511 P1512 L1513 E1518 Q1519 | L1511-D1515 HydrophobicContact CD2-CB 3.72Å; L1511-D1515 HydrophobicContact CG-CB 4.02Å; P1512-D1515 VanDerWaalsContact CD-OD2 3.27Å; P1512-D1515 WeakPolarHBondContact CD-OD2 3.37Å; P1512-D1515 VanDerWaalsContact CG-OD2 3.31Å; P1512-D1515 WeakPolarHBondContact CG-OD2 3.36Å; P1512-D1515 WeakPolarHBondContact O-CB 3.43Å; P1512-D1515 PolarHBondContact O-N 3.25Å; P1512-D1515 VanDerWaalsContact O-N 3.1Å; L1513-D1515 VanDerWaalsContact C-N 3.35Å; L1513-D1515 PolarHBondContact O-N 3.36Å; D1515-E1518 PolarHBondContact O-N 2.88Å; D1515-Q1519 VanDerWaalsContact O-CB 3.3Å; D1515-Q1519 WeakPolarHBondContact O-CB 3.41Å; D1515-Q1519 VanDerWaalsContact O-CG 3.31Å; D1515-Q1519 WeakPolarHBondContact O-CG 3.43Å; D1515-Q1519 PolarHBondContact O-N 3.36Å |
| 1516 | I | 73.2 | Confident | 65.7 | Low | 10.2 Ų | 10.2 | 68 Ų | 68 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.1 | -45.5 | 175.4 | -58.6 | 174.2 | 0 | 0 | 0 | 110.4 | L1511 P1512 L1513 V1514 E1518 Q1519 M1520 A1577 R1581 Q1584 I1588 | L1511-I1516 HydrophobicContact CB-CG1 4.35Å; P1512-I1516 PolarHBondContact O-N 3.05Å; L1513-I1516 WeakPolarHBondContact O-CB 3.35Å; L1513-I1516 PolarHBondContact O-N 3.08Å; V1514-I1516 VanDerWaalsContact C-N 3.3Å; V1514-I1516 PolarHBondContact O-N 3.09Å; I1516-E1518 VanDerWaalsContact C-N 3.3Å; I1516-E1518 PolarHBondContact O-N 3.13Å; I1516-Q1519 PolarHBondContact O-N 3.31Å; I1516-M1520 HydrophobicContact CG2-CG 4.49Å; I1516-M1520 HydrophobicContact CG2-SD 4.3Å; I1516-M1520 VanDerWaalsContact O-CB 3.31Å; I1516-M1520 WeakPolarHBondContact O-CB 3.34Å; I1516-M1520 WeakPolarHBondContact O-CG 3.37Å; I1516-M1520 PolarHBondContact O-N 3.14Å; I1516-A1577 WeakPolarHBondContact CG2-O 3.15Å; I1516-R1581 VanDerWaalsContact CG1-NH1 3.31Å; I1516-Q1584 HydrophobicContact CD1-CB 4.45Å; I1516-I1588 HydrophobicContact CD1-CD1 4.15Å; I1516-I1588 HydrophobicContact CG2-CD1 3.71Å; I1516-I1588 HydrophobicContact CG2-CG1 4.5Å |
| 1517 | Y | 77.3 | Confident | 68.4 | Low | 14.8 Ų | 14.8 | 61.1 Ų | 61.1 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -36.1 | 176.3 | -67.5 | -48.3 | 0 | 0 | 0 | 112.4 | L1513 V1514 M1520 S1521 I1588 L1591 K1651 A1654 | L1513-Y1517 HydrophobicContact CD1-CE2 4.05Å; L1513-Y1517 HydrophobicContact CD2-CE2 3.91Å; L1513-Y1517 HydrophobicContact CG-CD2 4.25Å; L1513-Y1517 HydrophobicContact CG-CE2 3.61Å; L1513-Y1517 VanDerWaalsContact O-CD2 3.32Å; L1513-Y1517 WeakPolarHBondContact O-CD2 3.38Å; L1513-Y1517 PolarHBondContact O-N 2.98Å; V1514-Y1517 PolarHBondContact O-N 3.13Å; Y1517-M1520 PolarHBondContact O-N 3.39Å; Y1517-S1521 WeakPolarHBondContact O-CB 3.37Å; Y1517-S1521 PolarHBondContact O-N 3.11Å; Y1517-I1588 HydrophobicContact CE1-CG1 4.26Å; Y1517-L1591 HydrophobicContact CD1-CD1 4.01Å; Y1517-L1591 HydrophobicContact CE1-CD1 3.66Å; Y1517-K1651 HydrophobicContact CD2-CB 4.45Å; Y1517-A1654 HydrophobicContact CE2-CB 4.34Å |
| 1518 | E | 80.1 | Confident | 70.7 | Confident | 96.6 Ų | 96.6 | 50.7 Ų | 50.7 | 45% | 0.451 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.7 | -174.7 | 159.9 | -179.8 | 0 | 0 | 112.2 | V1514 D1515 I1516 M1520 S1521 E1522 K1651 | V1514-E1518 PolarHBondContact O-N 3.38Å; V1514-E1518 VanDerWaalsContact O-N 3.08Å; D1515-E1518 PolarHBondContact O-N 2.88Å; I1516-E1518 VanDerWaalsContact C-N 3.3Å; I1516-E1518 PolarHBondContact O-N 3.13Å; E1518-M1520 VanDerWaalsContact C-N 3.32Å; E1518-M1520 PolarHBondContact O-N 3.38Å; E1518-S1521 PolarHBondContact O-N 3.22Å; E1518-E1522 PolarHBondContact O-N 3.2Å; E1518-K1651 VanDerWaalsContact CD-NZ 3.35Å; E1518-K1651 IonicContact OE1-NZ 3.36Å; E1518-K1651 IonicContact OE2-NZ 3.33Å; E1518-K1651 PolarHBondContact OE2-NZ 3.17Å |
| 1519 | Q | 79.7 | Confident | 72.9 | Confident | 92 Ų | 92 | 51.5 Ų | 51.5 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 174.3 | -133 | 177.9 | 0.7 | 0 | 0 | 112.1 | D1515 I1516 E1522 T1523 A1577 | D1515-Q1519 VanDerWaalsContact O-CB 3.3Å; D1515-Q1519 WeakPolarHBondContact O-CB 3.41Å; D1515-Q1519 VanDerWaalsContact O-CG 3.31Å; D1515-Q1519 WeakPolarHBondContact O-CG 3.43Å; D1515-Q1519 PolarHBondContact O-N 3.36Å; I1516-Q1519 PolarHBondContact O-N 3.31Å; Q1519-E1522 PolarHBondContact O-N 3.04Å; Q1519-T1523 WeakPolarHBondContact O-CB 3.33Å; Q1519-T1523 VanDerWaalsContact O-CG2 3.31Å; Q1519-T1523 WeakPolarHBondContact O-CG2 3.38Å; Q1519-T1523 PolarHBondContact O-N 3.02Å; Q1519-T1523 PolarHBondContact O-OG1 3.1Å; Q1519-A1577 HydrophobicContact CB-CB 4.34Å; Q1519-A1577 HydrophobicContact CG-CB 3.94Å |
| 1520 | M | 80.9 | Confident | 74.9 | Confident | 0.6 Ų | 0.6 | 48.6 Ų | 48.6 | 0% | 0.003 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 176.1 | -151.3 | 126.2 | 142 | 0 | 0 | 111.6 | I1516 Y1517 E1518 E1522 T1523 A1524 V1574 A1577 A1578 I1588 L1591 L1592 L1643 A1647 | I1516-M1520 HydrophobicContact CG2-CG 4.49Å; I1516-M1520 HydrophobicContact CG2-SD 4.3Å; I1516-M1520 VanDerWaalsContact O-CB 3.31Å; I1516-M1520 WeakPolarHBondContact O-CB 3.34Å; I1516-M1520 WeakPolarHBondContact O-CG 3.37Å; I1516-M1520 PolarHBondContact O-N 3.14Å; Y1517-M1520 PolarHBondContact O-N 3.39Å; E1518-M1520 VanDerWaalsContact C-N 3.32Å; E1518-M1520 PolarHBondContact O-N 3.38Å; M1520-E1522 PolarHBondContact O-N 2.83Å; M1520-T1523 WeakPolarHBondContact CA-OG1 3.41Å; M1520-T1523 PolarHBondContact O-N 3.32Å; M1520-T1523 PolarHBondContact O-OG1 3.19Å; M1520-T1523 VanDerWaalsContact O-OG1 3.08Å; M1520-A1524 WeakPolarHBondContact O-CB 3.31Å; M1520-A1524 PolarHBondContact O-N 3.38Å; M1520-V1574 HydrophobicContact CE-CG1 3.79Å; M1520-V1574 HydrophobicContact SD-CG1 4.16Å; M1520-A1577 HydrophobicContact CG-CB 4.16Å; M1520-A1577 HydrophobicContact SD-CB 4.24Å; M1520-A1578 VanDerWaalsContact CE-CA 3.44Å; M1520-A1578 HydrophobicContact CE-CB 3.99Å; M1520-A1578 HydrophobicContact SD-CB 4.28Å; M1520-I1588 HydrophobicContact CE-CG2 3.85Å; M1520-I1588 HydrophobicContact SD-CG2 3.95Å; M1520-I1588 VanDerWaalsContact SD-CG2 3.52Å; M1520-L1591 HydrophobicContact CE-CB 4.06Å; M1520-L1591 HydrophobicContact CE-CD1 4.23Å; M1520-L1591 HydrophobicContact SD-CB 4.14Å; M1520-L1591 HydrophobicContact SD-CD1 4.02Å; M1520-L1591 VanDerWaalsContact SD-CD1 3.58Å; M1520-L1592 HydrophobicContact CE-CD2 3.79Å; M1520-L1592 HydrophobicContact CE-CG 4.14Å; M1520-L1643 HydrophobicContact CE-CD1 3.67Å; M1520-L1643 HydrophobicContact CE-CD2 3.89Å; M1520-L1643 HydrophobicContact CE-CG 4.32Å; M1520-L1643 HydrophobicContact CG-CD1 4.12Å; M1520-L1643 HydrophobicContact CG-CD2 4.14Å; M1520-L1643 HydrophobicContact CG-CG 4.25Å; M1520-L1643 HydrophobicContact SD-CD1 4.21Å; M1520-L1643 HydrophobicContact SD-CD2 3.92Å; M1520-A1647 HydrophobicContact CB-CB 4.38Å; M1520-A1647 HydrophobicContact CG-CB 4.35Å |
| 1521 | S | 80.1 | Confident | 76.8 | Confident | 1.4 Ų | 1.4 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 173.8 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | Y1517 E1518 T1523 A1524 K1525 D1644 M1648 | Y1517-S1521 WeakPolarHBondContact O-CB 3.37Å; Y1517-S1521 PolarHBondContact O-N 3.11Å; E1518-S1521 PolarHBondContact O-N 3.22Å; S1521-T1523 PolarHBondContact O-N 3.4Å; S1521-A1524 PolarHBondContact O-N 3.07Å; S1521-K1525 VanDerWaalsContact O-CG 3.31Å; S1521-K1525 WeakPolarHBondContact O-CG 3.34Å; S1521-K1525 PolarHBondContact O-N 3.13Å; S1521-K1525 VanDerWaalsContact OG-CE 3.28Å; S1521-K1525 WeakPolarHBondContact OG-CE 3.31Å; S1521-K1525 PolarHBondContact OG-NZ 3.27Å; S1521-K1525 VanDerWaalsContact OG-NZ 3.12Å; S1521-D1644 VanDerWaalsContact CB-OD1 3.26Å; S1521-D1644 WeakPolarHBondContact CB-OD1 3.36Å; S1521-D1644 PolarHBondContact OG-OD1 3.14Å; S1521-M1648 VanDerWaalsContact OG-CE 3.23Å; S1521-M1648 WeakPolarHBondContact OG-CE 3.37Å |
| 1522 | E | 82.3 | Confident | 77.9 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.6 | -40.9 | -178.4 | -166.7 | 58.3 | -147.2 | 0 | 0 | 112 | E1518 Q1519 M1520 K1525 Q1526 R1529 | E1518-E1522 PolarHBondContact O-N 3.2Å; Q1519-E1522 PolarHBondContact O-N 3.04Å; M1520-E1522 PolarHBondContact O-N 2.83Å; E1522-K1525 PolarHBondContact O-N 3.16Å; E1522-Q1526 WeakPolarHBondContact O-CB 3.27Å; E1522-Q1526 PolarHBondContact O-N 3.23Å; E1522-R1529 IonicContact OE1-CZ 2.7Å; E1522-R1529 IonicContact OE1-NH1 3.47Å; E1522-R1529 PolarHBondContact OE1-NH1 2.81Å; E1522-R1529 VanDerWaalsContact OE1-NH1 3.15Å; E1522-R1529 IonicContact OE1-NH2 3.36Å |
| 1523 | T | 83.3 | Confident | 78.7 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -36.2 | 175.6 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | Q1519 M1520 S1521 Q1526 L1527 D1573 A1577 | Q1519-T1523 WeakPolarHBondContact O-CB 3.33Å; Q1519-T1523 VanDerWaalsContact O-CG2 3.31Å; Q1519-T1523 WeakPolarHBondContact O-CG2 3.38Å; Q1519-T1523 PolarHBondContact O-N 3.02Å; Q1519-T1523 PolarHBondContact O-OG1 3.1Å; M1520-T1523 WeakPolarHBondContact CA-OG1 3.41Å; M1520-T1523 PolarHBondContact O-N 3.32Å; M1520-T1523 PolarHBondContact O-OG1 3.19Å; M1520-T1523 VanDerWaalsContact O-OG1 3.08Å; S1521-T1523 PolarHBondContact O-N 3.4Å; T1523-Q1526 PolarHBondContact O-N 3.17Å; T1523-L1527 WeakPolarHBondContact O-CB 3.26Å; T1523-L1527 PolarHBondContact O-N 2.92Å; T1523-D1573 HydrophobicContact CG2-CB 4.14Å; T1523-A1577 HydrophobicContact CG2-CB 4.07Å |
| 1524 | A | 84.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | M1520 S1521 Q1526 L1527 A1528 A1640 L1643 D1644 | M1520-A1524 WeakPolarHBondContact O-CB 3.31Å; M1520-A1524 PolarHBondContact O-N 3.38Å; S1521-A1524 PolarHBondContact O-N 3.07Å; A1524-Q1526 VanDerWaalsContact C-N 3.33Å; A1524-Q1526 PolarHBondContact O-N 3.1Å; A1524-L1527 PolarHBondContact O-N 3.24Å; A1524-A1528 PolarHBondContact O-N 3.24Å; A1524-A1640 WeakPolarHBondContact CB-O 3.35Å; A1524-L1643 HydrophobicContact CB-CB 4.31Å; A1524-L1643 HydrophobicContact CB-CD2 3.93Å; A1524-L1643 HydrophobicContact CB-CG 4.06Å; A1524-D1644 HydrophobicContact CB-CB 4.22Å |
| 1525 | K | 82.6 | Confident | 79.7 | Confident | 55.8 Ų | 55.8 | 37.2 Ų | 37.2 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 171.9 | -72.2 | 170.2 | -170.6 | 155.6 | 0 | 111.6 | S1521 E1522 L1527 A1528 R1529 D1644 | S1521-K1525 VanDerWaalsContact O-CG 3.31Å; S1521-K1525 WeakPolarHBondContact O-CG 3.34Å; S1521-K1525 PolarHBondContact O-N 3.13Å; S1521-K1525 VanDerWaalsContact OG-CE 3.28Å; S1521-K1525 WeakPolarHBondContact OG-CE 3.31Å; S1521-K1525 PolarHBondContact OG-NZ 3.27Å; S1521-K1525 VanDerWaalsContact OG-NZ 3.12Å; E1522-K1525 PolarHBondContact O-N 3.16Å; K1525-L1527 VanDerWaalsContact C-N 3.33Å; K1525-L1527 PolarHBondContact O-N 3.23Å; K1525-A1528 PolarHBondContact O-N 3.25Å; K1525-R1529 VanDerWaalsContact O-CG 3.3Å; K1525-R1529 WeakPolarHBondContact O-CG 3.43Å; K1525-R1529 PolarHBondContact O-N 3.11Å; K1525-D1644 VanDerWaalsContact CE-CG 3.47Å; K1525-D1644 WeakPolarHBondContact CE-OD1 3.39Å; K1525-D1644 WeakPolarHBondContact CE-OD2 3.38Å; K1525-D1644 IonicContact NZ-OD1 2.96Å |
| 1526 | Q | 81.4 | Confident | 79.5 | Confident | 90.2 Ų | 90.2 | 39.3 Ų | 39.3 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 177.5 | -169.6 | 76.1 | 6.8 | 0 | 0 | 112 | E1522 T1523 A1524 R1529 T1530 | E1522-Q1526 WeakPolarHBondContact O-CB 3.27Å; E1522-Q1526 PolarHBondContact O-N 3.23Å; T1523-Q1526 PolarHBondContact O-N 3.17Å; A1524-Q1526 VanDerWaalsContact C-N 3.33Å; A1524-Q1526 PolarHBondContact O-N 3.1Å; Q1526-R1529 PolarHBondContact O-N 3.25Å; Q1526-R1529 VanDerWaalsContact OE1-NH1 3.12Å; Q1526-T1530 WeakPolarHBondContact O-CB 3.4Å; Q1526-T1530 VanDerWaalsContact O-CG2 3.32Å; Q1526-T1530 WeakPolarHBondContact O-CG2 3.28Å; Q1526-T1530 PolarHBondContact O-N 3.22Å; Q1526-T1530 PolarHBondContact O-OG1 2.95Å |
| 1527 | L | 85.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | 172.8 | -178.9 | 63.3 | 0 | 0 | 0 | 111.6 | T1523 A1524 K1525 R1529 T1530 C1531 L1567 A1570 V1571 V1574 L1636 W1639 A1640 | T1523-L1527 WeakPolarHBondContact O-CB 3.26Å; T1523-L1527 PolarHBondContact O-N 2.92Å; A1524-L1527 PolarHBondContact O-N 3.24Å; K1525-L1527 VanDerWaalsContact C-N 3.33Å; K1525-L1527 PolarHBondContact O-N 3.23Å; L1527-R1529 PolarHBondContact O-N 3.11Å; L1527-T1530 VanDerWaalsContact CA-OG1 3.32Å; L1527-T1530 WeakPolarHBondContact CA-OG1 3.39Å; L1527-T1530 PolarHBondContact O-N 3.02Å; L1527-T1530 PolarHBondContact O-OG1 3.4Å; L1527-C1531 WeakPolarHBondContact O-CB 3.36Å; L1527-C1531 PolarHBondContact O-N 3.16Å; L1527-C1531 PolarHBondContact O-SG 3.15Å; L1527-L1567 HydrophobicContact CD1-CD1 4.22Å; L1527-A1570 HydrophobicContact CB-CB 4.41Å; L1527-A1570 HydrophobicContact CD1-CB 3.77Å; L1527-V1571 HydrophobicContact CD1-CG2 4Å; L1527-V1574 HydrophobicContact CB-CG2 4.19Å; L1527-V1574 HydrophobicContact CD2-CG2 4.08Å; L1527-L1636 HydrophobicContact CD1-CD2 4.46Å; L1527-L1636 HydrophobicContact CD2-CD1 4.47Å; L1527-W1639 HydrophobicContact CD2-CE3 4.27Å; L1527-W1639 HydrophobicContact CD2-CZ3 3.82Å; L1527-A1640 HydrophobicContact CB-CB 4.22Å; L1527-A1640 HydrophobicContact CD2-CB 3.95Å; L1527-A1640 HydrophobicContact CG-CB 4.07Å |
| 1528 | A | 80.5 | Confident | 78.9 | Confident | 7.8 Ų | 7.8 | 41 Ų | 41 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1524 K1525 T1530 C1531 L1532 R1637 A1640 L1641 | A1524-A1528 PolarHBondContact O-N 3.24Å; K1525-A1528 PolarHBondContact O-N 3.25Å; A1528-T1530 VanDerWaalsContact C-N 3.34Å; A1528-T1530 PolarHBondContact O-N 3.36Å; A1528-C1531 PolarHBondContact O-N 3.42Å; A1528-L1532 WeakPolarHBondContact O-CB 3.32Å; A1528-L1532 PolarHBondContact O-N 3.25Å; A1528-L1532 VanDerWaalsContact O-N 3.1Å; A1528-R1637 HydrophobicContact CB-CG 4.17Å; A1528-A1640 HydrophobicContact CB-CB 4.04Å; A1528-L1641 HydrophobicContact CB-CD2 4.01Å; A1528-L1641 HydrophobicContact CB-CG 4.19Å |
| 1529 | R | 79.6 | Confident | 78 | Confident | 115.8 Ų | 115.8 | 39.1 Ų | 39.1 | 44% | 0.437 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 175.3 | -70.9 | 174.3 | -167.7 | 135.8 | 1 | 111.8 | E1522 K1525 Q1526 L1527 L1532 S1533 | E1522-R1529 IonicContact OE1-CZ 2.7Å; E1522-R1529 IonicContact OE1-NH1 3.47Å; E1522-R1529 PolarHBondContact OE1-NH1 2.81Å; E1522-R1529 VanDerWaalsContact OE1-NH1 3.15Å; E1522-R1529 IonicContact OE1-NH2 3.36Å; K1525-R1529 VanDerWaalsContact O-CG 3.3Å; K1525-R1529 WeakPolarHBondContact O-CG 3.43Å; K1525-R1529 PolarHBondContact O-N 3.11Å; Q1526-R1529 PolarHBondContact O-N 3.25Å; Q1526-R1529 VanDerWaalsContact OE1-NH1 3.12Å; L1527-R1529 PolarHBondContact O-N 3.11Å; R1529-L1532 PolarHBondContact O-N 3.08Å; R1529-S1533 WeakPolarHBondContact O-CB 3.27Å; R1529-S1533 PolarHBondContact O-N 3.3Å; R1529-S1533 PolarHBondContact O-OG 2.95Å |
| 1530 | T | 80.7 | Confident | 76.9 | Confident | 15.2 Ų | 15.2 | 36.6 Ų | 36.6 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -45.2 | 179 | 36.1 | 0 | 0 | 0 | 0 | 111.5 | Q1526 L1527 A1528 L1532 S1533 V1534 R1566 L1567 A1570 | Q1526-T1530 WeakPolarHBondContact O-CB 3.4Å; Q1526-T1530 VanDerWaalsContact O-CG2 3.32Å; Q1526-T1530 WeakPolarHBondContact O-CG2 3.28Å; Q1526-T1530 PolarHBondContact O-N 3.22Å; Q1526-T1530 PolarHBondContact O-OG1 2.95Å; L1527-T1530 VanDerWaalsContact CA-OG1 3.32Å; L1527-T1530 WeakPolarHBondContact CA-OG1 3.39Å; L1527-T1530 PolarHBondContact O-N 3.02Å; L1527-T1530 PolarHBondContact O-OG1 3.4Å; A1528-T1530 VanDerWaalsContact C-N 3.34Å; A1528-T1530 PolarHBondContact O-N 3.36Å; T1530-L1532 VanDerWaalsContact C-N 3.3Å; T1530-L1532 PolarHBondContact O-N 3.16Å; T1530-S1533 PolarHBondContact O-N 3.14Å; T1530-S1533 PolarHBondContact O-OG 3.46Å; T1530-V1534 HydrophobicContact CG2-CG2 4.28Å; T1530-V1534 VanDerWaalsContact O-CB 3.3Å; T1530-V1534 WeakPolarHBondContact O-CB 3.4Å; T1530-V1534 VanDerWaalsContact O-CG2 3.23Å; T1530-V1534 WeakPolarHBondContact O-CG2 3.3Å; T1530-V1534 PolarHBondContact O-N 3.18Å; T1530-R1566 HydrophobicContact CG2-CB 4.02Å; T1530-L1567 HydrophobicContact CG2-CD2 4.37Å; T1530-A1570 HydrophobicContact CG2-CB 4.37Å |
| 1531 | C | 82.7 | Confident | 75.2 | Confident | 0.6 Ų | 0.6 | 44.8 Ų | 44.8 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.9 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | L1527 A1528 S1535 R1637 | L1527-C1531 WeakPolarHBondContact O-CB 3.36Å; L1527-C1531 PolarHBondContact O-N 3.16Å; L1527-C1531 PolarHBondContact O-SG 3.15Å; A1528-C1531 PolarHBondContact O-N 3.42Å; C1531-S1535 VanDerWaalsContact O-CB 3.31Å; C1531-S1535 WeakPolarHBondContact O-CB 3.34Å; C1531-S1535 PolarHBondContact O-N 3.03Å; C1531-S1535 PolarHBondContact O-OG 3.05Å; C1531-R1637 HydrophobicContact CB-CB 3.89Å |
| 1532 | L | 76.3 | Confident | 73.5 | Confident | 46.2 Ų | 46.2 | 47.8 Ų | 47.8 | 24% | 0.242 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -52.5 | 176.4 | -172.6 | 106.5 | 0 | 0 | 0 | 111.4 | A1528 R1529 T1530 V1534 S1535 Y1536 | A1528-L1532 WeakPolarHBondContact O-CB 3.32Å; A1528-L1532 PolarHBondContact O-N 3.25Å; A1528-L1532 VanDerWaalsContact O-N 3.1Å; R1529-L1532 PolarHBondContact O-N 3.08Å; T1530-L1532 VanDerWaalsContact C-N 3.3Å; T1530-L1532 PolarHBondContact O-N 3.16Å; L1532-V1534 VanDerWaalsContact C-N 3.3Å; L1532-V1534 PolarHBondContact O-N 3.12Å; L1532-S1535 PolarHBondContact O-N 3Å; L1532-S1535 VanDerWaalsContact O-N 3.16Å; L1532-S1535 PolarHBondContact O-OG 3.14Å; L1532-Y1536 HydrophobicContact CD1-CD2 4.33Å; L1532-Y1536 HydrophobicContact CD1-CE2 4.11Å; L1532-Y1536 HydrophobicContact CD2-CD2 4.14Å; L1532-Y1536 HydrophobicContact CD2-CE2 3.8Å; L1532-Y1536 VanDerWaalsContact CD2-CE2 3.47Å; L1532-Y1536 HydrophobicContact CG-CD2 4.21Å; L1532-Y1536 HydrophobicContact CG-CE2 3.64Å; L1532-Y1536 WeakPolarHBondContact O-CD2 3.33Å; L1532-Y1536 PolarHBondContact O-N 3.31Å; L1532-Y1536 VanDerWaalsContact O-N 3.15Å |
| 1533 | S | 77.1 | Confident | 71.4 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.3 | -45.7 | 177.2 | 165.7 | 0 | 0 | 0 | 0 | 111.8 | R1529 T1530 S1535 Y1536 E1537 R1566 | R1529-S1533 WeakPolarHBondContact O-CB 3.27Å; R1529-S1533 PolarHBondContact O-N 3.3Å; R1529-S1533 PolarHBondContact O-OG 2.95Å; T1530-S1533 PolarHBondContact O-N 3.14Å; T1530-S1533 PolarHBondContact O-OG 3.46Å; S1533-S1535 PolarHBondContact O-N 3.32Å; S1533-Y1536 PolarHBondContact O-N 3.24Å; S1533-E1537 PolarHBondContact O-N 3.19Å; S1533-E1537 VanDerWaalsContact O-N 3.12Å; S1533-E1537 PolarHBondContact OG-OE1 3.14Å; S1533-R1566 PolarHBondContact OG-NH2 3.14Å |
| 1534 | V | 79.4 | Confident | 69.3 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 179.3 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | T1530 L1532 Y1536 E1537 V1538 I1563 L1567 L1633 | T1530-V1534 HydrophobicContact CG2-CG2 4.28Å; T1530-V1534 VanDerWaalsContact O-CB 3.3Å; T1530-V1534 WeakPolarHBondContact O-CB 3.4Å; T1530-V1534 VanDerWaalsContact O-CG2 3.23Å; T1530-V1534 WeakPolarHBondContact O-CG2 3.3Å; T1530-V1534 PolarHBondContact O-N 3.18Å; L1532-V1534 VanDerWaalsContact C-N 3.3Å; L1532-V1534 PolarHBondContact O-N 3.12Å; V1534-Y1536 PolarHBondContact O-N 3.22Å; V1534-E1537 PolarHBondContact O-N 3.22Å; V1534-E1537 VanDerWaalsContact O-N 3.13Å; V1534-V1538 HydrophobicContact CG1-CG2 4.14Å; V1534-V1538 WeakPolarHBondContact O-CG2 3.29Å; V1534-V1538 PolarHBondContact O-N 3.18Å; V1534-I1563 HydrophobicContact CB-CG2 4.3Å; V1534-I1563 HydrophobicContact CG1-CB 4.25Å; V1534-I1563 HydrophobicContact CG1-CD1 4.38Å; V1534-I1563 HydrophobicContact CG1-CG1 4.14Å; V1534-I1563 HydrophobicContact CG1-CG2 3.22Å; V1534-I1563 HydrophobicContact CG2-CG1 4.35Å; V1534-I1563 HydrophobicContact CG2-CG2 4.08Å; V1534-L1567 HydrophobicContact CG1-CD1 4.2Å; V1534-L1567 HydrophobicContact CG2-CD2 4.39Å; V1534-L1567 HydrophobicContact CG2-CG 4.29Å; V1534-L1633 HydrophobicContact CB-CD1 4.37Å; V1534-L1633 HydrophobicContact CG1-CD1 3.6Å; V1534-L1633 HydrophobicContact CG1-CD2 4.17Å |
| 1535 | S | 73.7 | Confident | 66.9 | Low | 8.2 Ų | 8.2 | 57.3 Ų | 57.3 | 6% | 0.057 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.4 | -33.1 | 178.8 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | C1531 L1532 S1533 S1539 | C1531-S1535 VanDerWaalsContact O-CB 3.31Å; C1531-S1535 WeakPolarHBondContact O-CB 3.34Å; C1531-S1535 PolarHBondContact O-N 3.03Å; C1531-S1535 PolarHBondContact O-OG 3.05Å; L1532-S1535 PolarHBondContact O-N 3Å; L1532-S1535 VanDerWaalsContact O-N 3.16Å; L1532-S1535 PolarHBondContact O-OG 3.14Å; S1533-S1535 PolarHBondContact O-N 3.32Å; S1535-S1539 WeakPolarHBondContact O-CB 3.36Å; S1535-S1539 PolarHBondContact O-N 3.12Å; S1535-S1539 VanDerWaalsContact O-N 3.1Å; S1535-S1539 PolarHBondContact O-OG 3.28Å |
| 1536 | Y | 68.1 | Low | 64.8 | Low | 109.2 Ų | 109.2 | 63.8 Ų | 63.8 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -74.5 | -40.4 | 174.2 | -70.2 | -61.8 | 0 | 0 | 0 | 113.1 | L1532 S1533 V1534 V1538 S1539 G1540 K1541 | L1532-Y1536 HydrophobicContact CD1-CD2 4.33Å; L1532-Y1536 HydrophobicContact CD1-CE2 4.11Å; L1532-Y1536 HydrophobicContact CD2-CD2 4.14Å; L1532-Y1536 HydrophobicContact CD2-CE2 3.8Å; L1532-Y1536 VanDerWaalsContact CD2-CE2 3.47Å; L1532-Y1536 HydrophobicContact CG-CD2 4.21Å; L1532-Y1536 HydrophobicContact CG-CE2 3.64Å; L1532-Y1536 WeakPolarHBondContact O-CD2 3.33Å; L1532-Y1536 PolarHBondContact O-N 3.31Å; L1532-Y1536 VanDerWaalsContact O-N 3.15Å; S1533-Y1536 PolarHBondContact O-N 3.24Å; V1534-Y1536 PolarHBondContact O-N 3.22Å; Y1536-V1538 VanDerWaalsContact C-N 3.27Å; Y1536-V1538 PolarHBondContact O-N 3.16Å; Y1536-S1539 PolarHBondContact O-N 3.25Å; Y1536-G1540 WeakPolarHBondContact O-CA 3.31Å; Y1536-G1540 PolarHBondContact O-N 3.28Å; Y1536-K1541 HydrophobicContact CD1-CD 4.3Å; Y1536-K1541 PolarHBondContact O-N 3.45Å |
| 1537 | E | 69.8 | Low | 62.8 | Low | 57 Ų | 57 | 64.9 Ų | 64.9 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 175.5 | -73 | 169.2 | -148.1 | 0 | 0 | 111.6 | S1533 V1534 S1539 G1540 M1542 I1563 R1566 | S1533-E1537 PolarHBondContact O-N 3.19Å; S1533-E1537 VanDerWaalsContact O-N 3.12Å; S1533-E1537 PolarHBondContact OG-OE1 3.14Å; V1534-E1537 PolarHBondContact O-N 3.22Å; V1534-E1537 VanDerWaalsContact O-N 3.13Å; E1537-S1539 VanDerWaalsContact C-N 3.34Å; E1537-S1539 PolarHBondContact O-N 3.33Å; E1537-G1540 PolarHBondContact O-N 3.39Å; E1537-M1542 HydrophobicContact CG-SD 4.36Å; E1537-I1563 HydrophobicContact CB-CD1 4.17Å; E1537-I1563 WeakPolarHBondContact OE2-CG1 3.26Å; E1537-R1566 VanDerWaalsContact CD-NH1 3.3Å; E1537-R1566 IonicContact OE1-CZ 2.99Å; E1537-R1566 IonicContact OE1-NH1 3.23Å; E1537-R1566 PolarHBondContact OE1-NH1 3.08Å; E1537-R1566 IonicContact OE1-NH2 3.54Å; E1537-R1566 IonicContact OE2-NH1 3.42Å; E1537-R1566 PolarHBondContact OE2-NH1 3.32Å; E1537-R1566 VanDerWaalsContact OE2-NH1 3.16Å |
| 1538 | V | 68.9 | Low | 60.6 | Low | 4.4 Ų | 4.4 | 73.5 Ų | 73.5 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -75.8 | -36.8 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | V1534 Y1536 G1540 M1542 L1560 I1563 N1626 L1629 L1633 | V1534-V1538 HydrophobicContact CG1-CG2 4.14Å; V1534-V1538 WeakPolarHBondContact O-CG2 3.29Å; V1534-V1538 PolarHBondContact O-N 3.18Å; Y1536-V1538 VanDerWaalsContact C-N 3.27Å; Y1536-V1538 PolarHBondContact O-N 3.16Å; V1538-G1540 PolarHBondContact O-N 2.83Å; V1538-M1542 HydrophobicContact CG2-CE 4.41Å; V1538-L1560 HydrophobicContact CG2-CD2 4.5Å; V1538-I1563 HydrophobicContact CG2-CD1 3.75Å; V1538-N1626 HydrophobicContact CG1-CB 3.89Å; V1538-L1629 HydrophobicContact CB-CD2 3.99Å; V1538-L1629 HydrophobicContact CG1-CB 4.47Å; V1538-L1629 HydrophobicContact CG1-CD2 3.97Å; V1538-L1629 HydrophobicContact CG1-CG 4.36Å; V1538-L1629 HydrophobicContact CG2-CD2 4.03Å; V1538-L1633 HydrophobicContact CG2-CD1 4.4Å |
| 1539 | S | 60.8 | Low | 59.2 | Low | 56 Ų | 56 | 77.6 Ų | 77.6 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -82.9 | -20.1 | -178.9 | -159.1 | 0 | 0 | 0 | 0 | 113.6 | S1535 Y1536 E1537 K1541 | S1535-S1539 WeakPolarHBondContact O-CB 3.36Å; S1535-S1539 PolarHBondContact O-N 3.12Å; S1535-S1539 VanDerWaalsContact O-N 3.1Å; S1535-S1539 PolarHBondContact O-OG 3.28Å; Y1536-S1539 PolarHBondContact O-N 3.25Å; E1537-S1539 VanDerWaalsContact C-N 3.34Å; E1537-S1539 PolarHBondContact O-N 3.33Å; S1539-K1541 VanDerWaalsContact C-N 3.25Å; S1539-K1541 PolarHBondContact O-N 2.95Å |
| 1540 | G | 55.9 | Low | 58 | Low | 41 Ų | 41 | 73.6 Ų | 73.6 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -52 | 144.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1536 E1537 V1538 M1542 | Y1536-G1540 WeakPolarHBondContact O-CA 3.31Å; Y1536-G1540 PolarHBondContact O-N 3.28Å; E1537-G1540 PolarHBondContact O-N 3.39Å; V1538-G1540 PolarHBondContact O-N 2.83Å; G1540-M1542 VanDerWaalsContact C-N 3.33Å; G1540-M1542 PolarHBondContact O-N 3.17Å |
| 1541 | K | 45.5 | Very low | 56.8 | Low | 173 Ų | 173 | 75.8 Ų | 75.8 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | trans | -62.1 | 95.6 | 168.9 | -70.2 | -176.6 | 178.9 | 178.1 | 0 | 107.5 | Y1536 S1539 K1543 | Y1536-K1541 HydrophobicContact CD1-CD 4.3Å; Y1536-K1541 PolarHBondContact O-N 3.45Å; S1539-K1541 VanDerWaalsContact C-N 3.25Å; S1539-K1541 PolarHBondContact O-N 2.95Å; K1541-K1543 HydrophobicContact CB-CG 4.28Å; K1541-K1543 PolarHBondContact O-N 3.16Å | ||
| 1542 | M | 44.9 | Very low | 55.6 | Low | 63.4 Ų | 63.4 | 76.4 Ų | 76.4 | 31% | 0.312 | 41% | 0.407 | S | S | . | . | trans | -70.1 | 77.7 | 167.1 | -73.4 | -177.4 | 163.1 | 0 | 0 | 108.1 | E1537 V1538 G1540 P1544 N1556 L1559 L1560 | E1537-M1542 HydrophobicContact CG-SD 4.36Å; V1538-M1542 HydrophobicContact CG2-CE 4.41Å; G1540-M1542 VanDerWaalsContact C-N 3.33Å; G1540-M1542 PolarHBondContact O-N 3.17Å; M1542-P1544 WeakPolarHBondContact O-CD 3.17Å; M1542-N1556 WeakPolarHBondContact CB-OD1 3.42Å; M1542-N1556 HydrophobicContact SD-CB 4.11Å; M1542-N1556 PolarHBondContact SD-OD1 3.2Å; M1542-L1559 HydrophobicContact CB-CD2 4.17Å; M1542-L1559 HydrophobicContact CE-CD2 3.91Å; M1542-L1559 HydrophobicContact CE-CG 4.35Å; M1542-L1559 HydrophobicContact CG-CD2 3.95Å; M1542-L1559 HydrophobicContact SD-CD2 4.13Å; M1542-L1560 HydrophobicContact CE-CD1 3.9Å; M1542-L1560 HydrophobicContact CE-CD2 4.38Å; M1542-L1560 HydrophobicContact CE-CG 3.95Å | ||
| 1543 | K | 39 | Very low | 54.6 | Low | 172.4 Ų | 172.4 | 75.4 Ų | 75.4 | 75% | 0.75 | 40% | 0.403 | S | S | * | . | trans | -92.6 | 117.4 | 167.7 | -86.3 | -172.9 | 174.3 | -174.5 | 0 | 105.6 | K1541 S1545 | K1541-K1543 HydrophobicContact CB-CG 4.28Å; K1541-K1543 PolarHBondContact O-N 3.16Å; K1543-S1545 PolarHBondContact O-N 3.12Å | ||
| 1544 | P | 37.5 | Very low | 53.7 | Low | 65.2 Ų | 65.2 | 79.9 Ų | 79.9 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | trans | -53.7 | 132.2 | 169.4 | 14 | -19 | 0 | 0 | 0 | 108.1 | M1542 Q1546 S1553 H1554 | M1542-P1544 WeakPolarHBondContact O-CD 3.17Å; P1544-Q1546 PolarHBondContact O-N 3.08Å; P1544-Q1546 VanDerWaalsContact O-N 3.13Å; P1544-S1553 VanDerWaalsContact CB-O 3.27Å; P1544-S1553 WeakPolarHBondContact CB-O 3.32Å; P1544-S1553 WeakPolarHBondContact CG-O 3.37Å; P1544-H1554 VanDerWaalsContact CG-ND1 3.29Å; P1544-H1554 WeakPolarHBondContact CG-ND1 3.31Å | ||
| 1545 | S | 36 | Very low | 53.3 | Low | 84.6 Ų | 84.6 | 80.6 Ų | 80.6 | 59% | 0.592 | 43% | 0.425 | S | S | * | . | trans | -46.9 | 129.5 | 168.8 | 44.9 | 0 | 0 | 0 | 0 | 108.7 | K1543 I1547 | K1543-S1545 PolarHBondContact O-N 3.12Å; S1545-I1547 PolarHBondContact O-N 3.17Å | ||
| 1546 | Q | 36.7 | Very low | 53.3 | Low | 191.6 Ų | 191.6 | 82.7 Ų | 82.7 | 90% | 0.895 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -64.3 | 58.2 | 179.7 | -69.9 | -179.3 | -32 | 0 | 0 | 112.2 | P1544 E1548 | P1544-Q1546 PolarHBondContact O-N 3.08Å; P1544-Q1546 VanDerWaalsContact O-N 3.13Å; Q1546-E1548 VanDerWaalsContact C-N 3.28Å; Q1546-E1548 PolarHBondContact O-N 2.68Å; Q1546-E1548 VanDerWaalsContact O-N 3.15Å |
| 1547 | I | 39.3 | Very low | 53.8 | Low | 112.4 Ų | 112.4 | 77.6 Ų | 77.6 | 58% | 0.576 | 42% | 0.416 | S | S | * | . | trans | -107 | 89.1 | 167.7 | -55.1 | 175.8 | 0 | 0 | 0 | 105.5 | S1545 S1549 | S1545-I1547 PolarHBondContact O-N 3.17Å; I1547-S1549 WeakPolarHBondContact CG2-OG 3.17Å; I1547-S1549 PolarHBondContact O-N 3.03Å | ||
| 1548 | E | 40 | Very low | 54.2 | Low | 181.8 Ų | 181.8 | 75.1 Ų | 75.1 | 85% | 0.85 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 36.1 | -175.8 | -72.6 | 179.4 | 153.8 | 0 | 0 | 114 | Q1546 | Q1546-E1548 VanDerWaalsContact C-N 3.28Å; Q1546-E1548 PolarHBondContact O-N 2.68Å; Q1546-E1548 VanDerWaalsContact O-N 3.15Å |
| 1549 | S | 50.8 | Low | 54.6 | Low | 94.6 Ų | 94.6 | 77.3 Ų | 77.3 | 66% | 0.662 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | 4.5 | -177.5 | 68.3 | 0 | 0 | 0 | 0 | 118.3 | T1343 I1547 | T1343-S1549 PolarHBondContact OG1-O 3.31Å; T1343-S1549 VanDerWaalsContact OG1-O 3.12Å; I1547-S1549 WeakPolarHBondContact CG2-OG 3.17Å; I1547-S1549 PolarHBondContact O-N 3.03Å |
| 1550 | S | 53.8 | Low | 55.4 | Low | 30.8 Ų | 30.8 | 74.9 Ų | 74.9 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -106.6 | 134.7 | 176.6 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | G1552 S1553 | S1550-G1552 PolarHBondContact O-N 3.21Å; S1550-S1553 PolarHBondContact O-N 2.99Å; S1550-S1553 PolarHBondContact O-OG 3.16Å; S1550-S1553 VanDerWaalsContact O-OG 3.06Å |
| 1551 | F | 55.6 | Low | 56.6 | Low | 60.4 Ų | 60.4 | 73 Ų | 73 | 27% | 0.265 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 122.5 | 176.4 | -174.6 | -93.1 | 0 | 0 | 0 | 110.1 | Y1334 N1337 A1338 T1343 D1345 L1348 | Y1334-F1551 HydrophobicContact CD2-CE1 4.5Å; Y1334-F1551 HydrophobicContact CD2-CZ 4.1Å; Y1334-F1551 AromaticContact CE1-CE1 3.92Å; Y1334-F1551 HydrophobicContact CE1-CE1 3.92Å; Y1334-F1551 HydrophobicContact CE1-CZ 4.29Å; Y1334-F1551 AromaticContact CE2-CE1 3.87Å; Y1334-F1551 HydrophobicContact CE2-CE1 3.87Å; Y1334-F1551 HydrophobicContact CE2-CE2 4.46Å; Y1334-F1551 AromaticContact CE2-CZ 3.62Å; Y1334-F1551 HydrophobicContact CE2-CZ 3.62Å; Y1334-F1551 AromaticContact CZ-CE1 3.52Å; Y1334-F1551 VanDerWaalsContact CZ-CE1 3.47Å; Y1334-F1551 AromaticContact CZ-CZ 3.8Å; Y1334-F1551 WeakPolarHBondContact OH-CE1 3.2Å; N1337-F1551 HydrophobicContact CB-CE2 4.27Å; N1337-F1551 HydrophobicContact CB-CZ 4.01Å; A1338-F1551 HydrophobicContact CB-CD1 4.16Å; A1338-F1551 HydrophobicContact CB-CE1 3.67Å; A1338-F1551 HydrophobicContact CB-CZ 4.41Å; T1343-F1551 PolarHBondContact O-N 3.19Å; T1343-F1551 VanDerWaalsContact O-N 3.12Å; D1345-F1551 WeakPolarHBondContact CB-O 3.3Å; D1345-F1551 PolarHBondContact N-O 3.21Å; D1345-F1551 VanDerWaalsContact N-O 3.11Å; L1348-F1551 HydrophobicContact CD2-CD1 3.75Å; L1348-F1551 HydrophobicContact CD2-CE1 4.11Å |
| 1552 | G | 58.4 | Low | 58.2 | Low | 15 Ų | 15 | 65.2 Ų | 65.2 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | -8.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1550 H1554 S1555 I1558 | S1550-G1552 PolarHBondContact O-N 3.21Å; G1552-H1554 PolarHBondContact O-N 3.29Å; G1552-S1555 PolarHBondContact O-N 3.23Å; G1552-S1555 PolarHBondContact O-OG 3.09Å; G1552-I1558 WeakPolarHBondContact O-CD1 3.34Å |
| 1553 | S | 55 | Low | 59.9 | Low | 23.6 Ų | 23.6 | 62.2 Ų | 62.2 | 17% | 0.165 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -17.1 | -174.1 | 58.9 | 0 | 0 | 0 | 0 | 115.5 | P1544 S1550 | P1544-S1553 VanDerWaalsContact CB-O 3.27Å; P1544-S1553 WeakPolarHBondContact CB-O 3.32Å; P1544-S1553 WeakPolarHBondContact CG-O 3.37Å; S1550-S1553 PolarHBondContact O-N 2.99Å; S1550-S1553 PolarHBondContact O-OG 3.16Å; S1550-S1553 VanDerWaalsContact O-OG 3.06Å |
| 1554 | H | 58.9 | Low | 62 | Low | 133 Ų | 133 | 54 Ų | 54 | 62% | 0.616 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -1.1 | -174.1 | -61.5 | -38.8 | 0 | 0 | 0 | 115.2 | P1544 G1552 | P1544-H1554 VanDerWaalsContact CG-ND1 3.29Å; P1544-H1554 WeakPolarHBondContact CG-ND1 3.31Å; G1552-H1554 PolarHBondContact O-N 3.29Å |
| 1555 | S | 71.1 | Confident | 64.1 | Low | 14.8 Ų | 14.8 | 51.9 Ų | 51.9 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | trans | -88.7 | 122.2 | -176.2 | 135.8 | 0 | 0 | 0 | 0 | 111.8 | D1245 G1552 L1557 I1558 L1559 | D1245-S1555 VanDerWaalsContact OD1-CB 3.24Å; D1245-S1555 WeakPolarHBondContact OD1-CB 3.34Å; D1245-S1555 PolarHBondContact OD1-OG 3.15Å; G1552-S1555 PolarHBondContact O-N 3.23Å; G1552-S1555 PolarHBondContact O-OG 3.09Å; S1555-L1557 VanDerWaalsContact C-N 3.26Å; S1555-L1557 PolarHBondContact O-N 3.14Å; S1555-L1557 PolarHBondContact OG-N 3.1Å; S1555-I1558 PolarHBondContact O-N 3.25Å; S1555-I1558 VanDerWaalsContact OG-CB 3.29Å; S1555-I1558 WeakPolarHBondContact OG-CB 3.35Å; S1555-I1558 WeakPolarHBondContact OG-CD1 3.36Å; S1555-I1558 WeakPolarHBondContact OG-CG1 3.36Å; S1555-I1558 PolarHBondContact OG-N 2.97Å; S1555-L1559 PolarHBondContact O-N 3.32Å | ||
| 1556 | N | 73.3 | Confident | 66.3 | Low | 52.2 Ų | 52.2 | 51.4 Ų | 51.4 | 28% | 0.279 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.9 | -27.1 | 174.6 | -72.6 | -31.3 | 0 | 0 | 0 | 111.1 | D1245 M1542 I1558 L1559 L1560 L1613 | D1245-N1556 PolarHBondContact OD2-N 2.97Å; D1245-N1556 VanDerWaalsContact OD2-N 3.1Å; M1542-N1556 WeakPolarHBondContact CB-OD1 3.42Å; M1542-N1556 HydrophobicContact SD-CB 4.11Å; M1542-N1556 PolarHBondContact SD-OD1 3.2Å; N1556-I1558 VanDerWaalsContact C-N 3.31Å; N1556-I1558 PolarHBondContact O-N 3.12Å; N1556-L1559 WeakPolarHBondContact O-CB 3.36Å; N1556-L1559 PolarHBondContact O-N 3.2Å; N1556-L1560 WeakPolarHBondContact O-CB 3.48Å; N1556-L1560 WeakPolarHBondContact O-CD1 3.34Å; N1556-L1560 WeakPolarHBondContact O-CG 3.42Å; N1556-L1560 PolarHBondContact O-N 3.11Å; N1556-L1613 HydrophobicContact CB-CD2 3.59Å; N1556-L1613 VanDerWaalsContact CB-CD2 3.45Å; N1556-L1613 HydrophobicContact CB-CG 4.35Å |
| 1557 | L | 79.3 | Confident | 68.5 | Low | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 176.6 | -175.9 | 68.2 | 0 | 0 | 0 | 111.9 | L1244 D1245 C1248 W1252 P1454 S1555 L1559 L1560 A1561 M1610 L1613 | L1244-L1557 HydrophobicContact CG-CD2 4.31Å; D1245-L1557 WeakPolarHBondContact OD1-CB 3.4Å; D1245-L1557 PolarHBondContact OD1-N 3.13Å; D1245-L1557 VanDerWaalsContact OD1-N 3.15Å; C1248-L1557 HydrophobicContact CB-CD2 3.41Å; C1248-L1557 VanDerWaalsContact CB-CD2 3.45Å; C1248-L1557 VanDerWaalsContact SG-CD2 3.54Å; C1248-L1557 WeakPolarHBondContact SG-CD2 3.34Å; W1252-L1557 HydrophobicContact CH2-CD1 3.92Å; W1252-L1557 HydrophobicContact CZ3-CD1 3.96Å; P1454-L1557 HydrophobicContact CB-CD2 4.1Å; P1454-L1557 HydrophobicContact CB-CG 4.26Å; P1454-L1557 HydrophobicContact CG-CD2 4.34Å; S1555-L1557 VanDerWaalsContact C-N 3.26Å; S1555-L1557 PolarHBondContact O-N 3.14Å; S1555-L1557 PolarHBondContact OG-N 3.1Å; L1557-L1559 VanDerWaalsContact C-N 3.34Å; L1557-L1560 PolarHBondContact O-N 3.19Å; L1557-A1561 VanDerWaalsContact O-CB 3.29Å; L1557-A1561 WeakPolarHBondContact O-CB 3.43Å; L1557-A1561 PolarHBondContact O-N 3.09Å; L1557-M1610 HydrophobicContact CD1-CB 4.09Å; L1557-M1610 HydrophobicContact CD1-CE 3.65Å; L1557-M1610 HydrophobicContact CD1-CG 4.19Å; L1557-M1610 HydrophobicContact CG-CE 4.35Å; L1557-L1613 HydrophobicContact CB-CD1 3.72Å; L1557-L1613 HydrophobicContact CB-CD2 4.14Å; L1557-L1613 HydrophobicContact CD1-CD1 3.96Å; L1557-L1613 HydrophobicContact CG-CD1 4.29Å |
| 1558 | I | 77.2 | Confident | 70.6 | Confident | 3.6 Ų | 3.6 | 37.1 Ų | 37.1 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.6 | -66.2 | 170 | 0 | 0 | 0 | 110.4 | L1244 N1347 L1348 V1351 G1552 S1555 N1556 L1560 A1561 C1562 | L1244-I1558 HydrophobicContact CD2-CD1 3.78Å; L1244-I1558 HydrophobicContact CD2-CG1 3.74Å; N1347-I1558 HydrophobicContact CB-CG2 3.73Å; L1348-I1558 HydrophobicContact CB-CD1 3.97Å; L1348-I1558 HydrophobicContact CD1-CD1 3.66Å; L1348-I1558 HydrophobicContact CD1-CG1 4.25Å; L1348-I1558 HydrophobicContact CD2-CD1 4.36Å; L1348-I1558 HydrophobicContact CG-CD1 4.18Å; V1351-I1558 HydrophobicContact CG2-CG2 4.37Å; G1552-I1558 WeakPolarHBondContact O-CD1 3.34Å; S1555-I1558 PolarHBondContact O-N 3.25Å; S1555-I1558 VanDerWaalsContact OG-CB 3.29Å; S1555-I1558 WeakPolarHBondContact OG-CB 3.35Å; S1555-I1558 WeakPolarHBondContact OG-CD1 3.36Å; S1555-I1558 WeakPolarHBondContact OG-CG1 3.36Å; S1555-I1558 PolarHBondContact OG-N 2.97Å; N1556-I1558 VanDerWaalsContact C-N 3.31Å; N1556-I1558 PolarHBondContact O-N 3.12Å; I1558-L1560 VanDerWaalsContact C-N 3.32Å; I1558-L1560 PolarHBondContact O-N 3.22Å; I1558-A1561 PolarHBondContact O-N 3.32Å; I1558-C1562 WeakPolarHBondContact O-CB 3.4Å; I1558-C1562 PolarHBondContact O-N 3.07Å; I1558-C1562 PolarHBondContact O-SG 3.36Å |
| 1559 | L | 76.5 | Confident | 72.7 | Confident | 51.4 Ų | 51.4 | 30.5 Ų | 30.5 | 27% | 0.269 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 175.8 | -179.5 | 64.9 | 0 | 0 | 0 | 110.7 | M1542 S1555 N1556 L1557 A1561 C1562 I1563 | M1542-L1559 HydrophobicContact CB-CD2 4.17Å; M1542-L1559 HydrophobicContact CE-CD2 3.91Å; M1542-L1559 HydrophobicContact CE-CG 4.35Å; M1542-L1559 HydrophobicContact CG-CD2 3.95Å; M1542-L1559 HydrophobicContact SD-CD2 4.13Å; S1555-L1559 PolarHBondContact O-N 3.32Å; N1556-L1559 WeakPolarHBondContact O-CB 3.36Å; N1556-L1559 PolarHBondContact O-N 3.2Å; L1557-L1559 VanDerWaalsContact C-N 3.34Å; L1559-A1561 VanDerWaalsContact C-N 3.33Å; L1559-A1561 PolarHBondContact O-N 3.12Å; L1559-C1562 WeakPolarHBondContact O-CB 3.46Å; L1559-C1562 PolarHBondContact O-N 3.07Å; L1559-I1563 HydrophobicContact CD1-CD1 4.33Å; L1559-I1563 HydrophobicContact CG-CD1 3.98Å; L1559-I1563 WeakPolarHBondContact O-CB 3.36Å; L1559-I1563 WeakPolarHBondContact O-CD1 3.43Å; L1559-I1563 VanDerWaalsContact O-CG1 3.27Å; L1559-I1563 WeakPolarHBondContact O-CG1 3.28Å; L1559-I1563 PolarHBondContact O-N 3.06Å |
| 1560 | L | 79.5 | Confident | 74.2 | Confident | 4.8 Ų | 4.8 | 26.3 Ų | 26.3 | 3% | 0.025 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63 | -37.6 | 176.7 | -92.8 | 130.7 | 0 | 0 | 0 | 112.7 | V1538 M1542 N1556 L1557 I1558 I1563 A1564 L1606 A1609 M1610 L1613 L1629 | V1538-L1560 HydrophobicContact CG2-CD2 4.5Å; M1542-L1560 HydrophobicContact CE-CD1 3.9Å; M1542-L1560 HydrophobicContact CE-CD2 4.38Å; M1542-L1560 HydrophobicContact CE-CG 3.95Å; N1556-L1560 WeakPolarHBondContact O-CB 3.48Å; N1556-L1560 WeakPolarHBondContact O-CD1 3.34Å; N1556-L1560 WeakPolarHBondContact O-CG 3.42Å; N1556-L1560 PolarHBondContact O-N 3.11Å; L1557-L1560 PolarHBondContact O-N 3.19Å; I1558-L1560 VanDerWaalsContact C-N 3.32Å; I1558-L1560 PolarHBondContact O-N 3.22Å; L1560-I1563 HydrophobicContact CD2-CD1 4.48Å; L1560-I1563 WeakPolarHBondContact O-CB 3.37Å; L1560-I1563 PolarHBondContact O-N 3.32Å; L1560-A1564 WeakPolarHBondContact O-CB 3.3Å; L1560-A1564 PolarHBondContact O-N 3.06Å; L1560-L1606 HydrophobicContact CD1-CD2 3.61Å; L1560-L1606 HydrophobicContact CD2-CD1 4.41Å; L1560-L1606 HydrophobicContact CD2-CD2 4.3Å; L1560-L1606 HydrophobicContact CG-CD2 4.36Å; L1560-A1609 HydrophobicContact CD1-CB 4.01Å; L1560-A1609 HydrophobicContact CD2-CB 3.9Å; L1560-M1610 HydrophobicContact CB-CE 4.11Å; L1560-M1610 HydrophobicContact CB-CG 4Å; L1560-M1610 HydrophobicContact CB-SD 4.44Å; L1560-M1610 HydrophobicContact CD1-CG 3.96Å; L1560-M1610 HydrophobicContact CD2-CB 4.09Å; L1560-M1610 HydrophobicContact CD2-CE 4.47Å; L1560-M1610 HydrophobicContact CD2-CG 3.75Å; L1560-M1610 HydrophobicContact CG-CE 3.84Å; L1560-M1610 HydrophobicContact CG-CG 4.22Å; L1560-M1610 WeakPolarHBondContact O-CE 3.41Å; L1560-L1613 HydrophobicContact CD1-CD1 4.34Å; L1560-L1613 HydrophobicContact CD1-CD2 3.81Å; L1560-L1613 HydrophobicContact CD1-CG 4.37Å; L1560-L1629 HydrophobicContact CD1-CD2 4.17Å; L1560-L1629 HydrophobicContact CD2-CD2 4.29Å |
| 1561 | A | 79.3 | Confident | 75.7 | Confident | 2.4 Ų | 2.4 | 24.9 Ų | 24.9 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V1351 P1454 L1557 I1558 L1559 I1563 A1564 D1565 M1610 | V1351-A1561 HydrophobicContact CG1-CB 4.12Å; V1351-A1561 HydrophobicContact CG2-CB 3.94Å; P1454-A1561 HydrophobicContact CB-CB 4.25Å; L1557-A1561 VanDerWaalsContact O-CB 3.29Å; L1557-A1561 WeakPolarHBondContact O-CB 3.43Å; L1557-A1561 PolarHBondContact O-N 3.09Å; I1558-A1561 PolarHBondContact O-N 3.32Å; L1559-A1561 VanDerWaalsContact C-N 3.33Å; L1559-A1561 PolarHBondContact O-N 3.12Å; A1561-I1563 VanDerWaalsContact C-N 3.33Å; A1561-A1564 VanDerWaalsContact O-CB 3.31Å; A1561-A1564 WeakPolarHBondContact O-CB 3.46Å; A1561-A1564 PolarHBondContact O-N 3.35Å; A1561-D1565 WeakPolarHBondContact O-CB 3.43Å; A1561-D1565 PolarHBondContact O-N 3.12Å; A1561-M1610 HydrophobicContact CB-CE 4.28Å |
| 1562 | C | 80.2 | Confident | 76.9 | Confident | 8.4 Ų | 8.4 | 22.3 Ų | 22.3 | 6% | 0.057 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 172.8 | -79.7 | 0 | 0 | 0 | 0 | 111.9 | V1351 I1558 L1559 D1565 R1566 | V1351-C1562 VanDerWaalsContact CG2-SG 3.53Å; I1558-C1562 WeakPolarHBondContact O-CB 3.4Å; I1558-C1562 PolarHBondContact O-N 3.07Å; I1558-C1562 PolarHBondContact O-SG 3.36Å; L1559-C1562 WeakPolarHBondContact O-CB 3.46Å; L1559-C1562 PolarHBondContact O-N 3.07Å; C1562-D1565 PolarHBondContact O-N 3.14Å; C1562-R1566 WeakPolarHBondContact O-CB 3.47Å; C1562-R1566 VanDerWaalsContact O-CG 3.3Å; C1562-R1566 WeakPolarHBondContact O-CG 3.39Å; C1562-R1566 PolarHBondContact O-N 3.13Å |
| 1563 | I | 79.8 | Confident | 78.1 | Confident | 0.2 Ų | 0.2 | 24.3 Ų | 24.3 | 0% | 0.001 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 173.9 | -76.9 | 165.3 | 0 | 0 | 0 | 110.6 | V1534 E1537 V1538 L1559 L1560 A1561 D1565 R1566 L1567 L1606 | V1534-I1563 HydrophobicContact CB-CG2 4.3Å; V1534-I1563 HydrophobicContact CG1-CB 4.25Å; V1534-I1563 HydrophobicContact CG1-CD1 4.38Å; V1534-I1563 HydrophobicContact CG1-CG1 4.14Å; V1534-I1563 HydrophobicContact CG1-CG2 3.22Å; V1534-I1563 HydrophobicContact CG2-CG1 4.35Å; V1534-I1563 HydrophobicContact CG2-CG2 4.08Å; E1537-I1563 HydrophobicContact CB-CD1 4.17Å; E1537-I1563 WeakPolarHBondContact OE2-CG1 3.26Å; V1538-I1563 HydrophobicContact CG2-CD1 3.75Å; L1559-I1563 HydrophobicContact CD1-CD1 4.33Å; L1559-I1563 HydrophobicContact CG-CD1 3.98Å; L1559-I1563 WeakPolarHBondContact O-CB 3.36Å; L1559-I1563 WeakPolarHBondContact O-CD1 3.43Å; L1559-I1563 VanDerWaalsContact O-CG1 3.27Å; L1559-I1563 WeakPolarHBondContact O-CG1 3.28Å; L1559-I1563 PolarHBondContact O-N 3.06Å; L1560-I1563 HydrophobicContact CD2-CD1 4.48Å; L1560-I1563 WeakPolarHBondContact O-CB 3.37Å; L1560-I1563 PolarHBondContact O-N 3.32Å; A1561-I1563 VanDerWaalsContact C-N 3.33Å; I1563-D1565 VanDerWaalsContact C-N 3.31Å; I1563-D1565 PolarHBondContact O-N 3.08Å; I1563-R1566 PolarHBondContact O-N 3.05Å; I1563-L1567 HydrophobicContact CG2-CD1 3.91Å; I1563-L1567 WeakPolarHBondContact O-CB 3.27Å; I1563-L1567 WeakPolarHBondContact O-CG 3.34Å; I1563-L1567 PolarHBondContact O-N 2.93Å; I1563-L1606 HydrophobicContact CG2-CD1 4.07Å; I1563-L1606 HydrophobicContact CG2-CD2 3.99Å |
| 1564 | A | 82.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1458 V1459 L1560 A1561 L1567 T1568 L1606 M1610 | T1458-A1564 VanDerWaalsContact CG2-C 3.45Å; T1458-A1564 HydrophobicContact CG2-CB 3.71Å; T1458-A1564 VanDerWaalsContact OG1-CB 3.3Å; T1458-A1564 WeakPolarHBondContact OG1-CB 3.39Å; V1459-A1564 HydrophobicContact CG2-CB 4.17Å; L1560-A1564 WeakPolarHBondContact O-CB 3.3Å; L1560-A1564 PolarHBondContact O-N 3.06Å; A1561-A1564 VanDerWaalsContact O-CB 3.31Å; A1561-A1564 WeakPolarHBondContact O-CB 3.46Å; A1561-A1564 PolarHBondContact O-N 3.35Å; A1564-L1567 PolarHBondContact O-N 3.21Å; A1564-T1568 VanDerWaalsContact O-CB 3.22Å; A1564-T1568 WeakPolarHBondContact O-CB 3.33Å; A1564-T1568 PolarHBondContact O-N 3.24Å; A1564-T1568 PolarHBondContact O-OG1 3.09Å; A1564-L1606 HydrophobicContact CB-CD1 4.19Å; A1564-L1606 HydrophobicContact CB-CD2 3.46Å; A1564-L1606 VanDerWaalsContact CB-CD2 3.46Å; A1564-L1606 HydrophobicContact CB-CG 4.29Å; A1564-M1610 HydrophobicContact CB-CE 3.7Å |
| 1565 | D | 82 | Confident | 80.2 | Confident | 21 Ų | 21 | 17.2 Ų | 17.2 | 11% | 0.112 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 177.4 | -174.2 | 51.6 | 0 | 0 | 0 | 112.6 | R1350 T1458 A1561 C1562 I1563 L1567 T1568 S1569 | R1350-D1565 IonicContact CZ-OD2 3.63Å; R1350-D1565 VanDerWaalsContact CZ-OD2 3.27Å; R1350-D1565 IonicContact NE-OD2 3.31Å; R1350-D1565 PolarHBondContact NE-OD2 3.04Å; R1350-D1565 IonicContact NH2-OD2 2.68Å; R1350-D1565 PolarHBondContact NH2-OD2 3.13Å; T1458-D1565 HydrophobicContact CG2-CB 4.08Å; A1561-D1565 WeakPolarHBondContact O-CB 3.43Å; A1561-D1565 PolarHBondContact O-N 3.12Å; C1562-D1565 PolarHBondContact O-N 3.14Å; I1563-D1565 VanDerWaalsContact C-N 3.31Å; I1563-D1565 PolarHBondContact O-N 3.08Å; D1565-L1567 PolarHBondContact O-N 3.2Å; D1565-T1568 PolarHBondContact O-N 3.23Å; D1565-S1569 VanDerWaalsContact O-CB 3.29Å; D1565-S1569 WeakPolarHBondContact O-CB 3.38Å; D1565-S1569 PolarHBondContact O-N 3.09Å; D1565-S1569 PolarHBondContact O-OG 3.18Å |
| 1566 | R | 82.9 | Confident | 80.5 | Confident | 75.2 Ų | 75.2 | 23.1 Ų | 23.1 | 28% | 0.284 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.3 | -73.1 | 170.4 | 67.7 | -169.3 | 0.1 | 111.5 | T1530 S1533 E1537 C1562 I1563 S1569 A1570 | T1530-R1566 HydrophobicContact CG2-CB 4.02Å; S1533-R1566 PolarHBondContact OG-NH2 3.14Å; E1537-R1566 VanDerWaalsContact CD-NH1 3.3Å; E1537-R1566 IonicContact OE1-CZ 2.99Å; E1537-R1566 IonicContact OE1-NH1 3.23Å; E1537-R1566 PolarHBondContact OE1-NH1 3.08Å; E1537-R1566 IonicContact OE1-NH2 3.54Å; E1537-R1566 IonicContact OE2-NH1 3.42Å; E1537-R1566 PolarHBondContact OE2-NH1 3.32Å; E1537-R1566 VanDerWaalsContact OE2-NH1 3.16Å; C1562-R1566 WeakPolarHBondContact O-CB 3.47Å; C1562-R1566 VanDerWaalsContact O-CG 3.3Å; C1562-R1566 WeakPolarHBondContact O-CG 3.39Å; C1562-R1566 PolarHBondContact O-N 3.13Å; I1563-R1566 PolarHBondContact O-N 3.05Å; R1566-S1569 PolarHBondContact O-N 3.12Å; R1566-A1570 WeakPolarHBondContact O-CB 3.21Å; R1566-A1570 PolarHBondContact O-N 3.04Å |
| 1567 | L | 83.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.6 | -47 | 178.5 | -137 | 109.2 | 0 | 0 | 0 | 111.6 | L1462 L1527 T1530 V1534 I1563 A1564 D1565 S1569 A1570 V1571 V1602 L1606 L1633 L1636 | L1462-L1567 HydrophobicContact CD2-CD2 4.1Å; L1527-L1567 HydrophobicContact CD1-CD1 4.22Å; T1530-L1567 HydrophobicContact CG2-CD2 4.37Å; V1534-L1567 HydrophobicContact CG1-CD1 4.2Å; V1534-L1567 HydrophobicContact CG2-CD2 4.39Å; V1534-L1567 HydrophobicContact CG2-CG 4.29Å; I1563-L1567 HydrophobicContact CG2-CD1 3.91Å; I1563-L1567 WeakPolarHBondContact O-CB 3.27Å; I1563-L1567 WeakPolarHBondContact O-CG 3.34Å; I1563-L1567 PolarHBondContact O-N 2.93Å; A1564-L1567 PolarHBondContact O-N 3.21Å; D1565-L1567 PolarHBondContact O-N 3.2Å; L1567-S1569 VanDerWaalsContact C-N 3.26Å; L1567-S1569 PolarHBondContact O-N 3.33Å; L1567-A1570 PolarHBondContact O-N 3.1Å; L1567-V1571 HydrophobicContact CG-CG2 4.47Å; L1567-V1571 WeakPolarHBondContact O-CB 3.25Å; L1567-V1571 VanDerWaalsContact O-CG2 3.32Å; L1567-V1571 WeakPolarHBondContact O-CG2 3.25Å; L1567-V1571 PolarHBondContact O-N 3.26Å; L1567-V1602 HydrophobicContact CD1-CG1 4.12Å; L1567-V1602 HydrophobicContact CD2-CB 4.47Å; L1567-V1602 HydrophobicContact CD2-CG1 3.36Å; L1567-L1606 HydrophobicContact CD1-CD1 4.1Å; L1567-L1606 HydrophobicContact CD2-CD1 3.69Å; L1567-L1633 HydrophobicContact CD1-CD2 4.02Å; L1567-L1633 HydrophobicContact CD2-CD2 4.11Å; L1567-L1633 HydrophobicContact CG-CD2 4.39Å; L1567-L1636 HydrophobicContact CD1-CD2 3.91Å |
| 1568 | T | 83.2 | Confident | 80.1 | Confident | 1.6 Ų | 1.6 | 20.9 Ų | 20.9 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.6 | -38.2 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | T1458 R1461 L1462 L1465 A1564 D1565 A1572 | T1458-T1568 PolarHBondContact O-OG1 2.98Å; R1461-T1568 HydrophobicContact CB-CG2 4.1Å; R1461-T1568 HydrophobicContact CG-CG2 3.84Å; L1462-T1568 HydrophobicContact CB-CG2 4.29Å; L1465-T1568 HydrophobicContact CD1-CG2 3.85Å; A1564-T1568 VanDerWaalsContact O-CB 3.22Å; A1564-T1568 WeakPolarHBondContact O-CB 3.33Å; A1564-T1568 PolarHBondContact O-N 3.24Å; A1564-T1568 PolarHBondContact O-OG1 3.09Å; D1565-T1568 PolarHBondContact O-N 3.23Å; T1568-A1572 VanDerWaalsContact O-CB 3.23Å; T1568-A1572 WeakPolarHBondContact O-CB 3.33Å; T1568-A1572 PolarHBondContact O-N 3.31Å |
| 1569 | S | 83.4 | Confident | 79.5 | Confident | 44.2 Ų | 44.2 | 21.4 Ų | 21.4 | 31% | 0.309 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -66.8 | -47.3 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | D1565 R1566 L1567 V1571 A1572 D1573 | D1565-S1569 VanDerWaalsContact O-CB 3.29Å; D1565-S1569 WeakPolarHBondContact O-CB 3.38Å; D1565-S1569 PolarHBondContact O-N 3.09Å; D1565-S1569 PolarHBondContact O-OG 3.18Å; R1566-S1569 PolarHBondContact O-N 3.12Å; L1567-S1569 VanDerWaalsContact C-N 3.26Å; L1567-S1569 PolarHBondContact O-N 3.33Å; S1569-V1571 VanDerWaalsContact C-N 3.34Å; S1569-V1571 PolarHBondContact O-N 3.13Å; S1569-A1572 WeakPolarHBondContact O-CB 3.36Å; S1569-A1572 PolarHBondContact O-N 3.24Å; S1569-D1573 VanDerWaalsContact O-CG 3.25Å; S1569-D1573 PolarHBondContact O-N 3.08Å |
| 1570 | A | 83.4 | Confident | 78.3 | Confident | 6.4 Ų | 6.4 | 24 Ų | 24 | 5% | 0.053 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1527 T1530 R1566 L1567 D1573 V1574 | L1527-A1570 HydrophobicContact CB-CB 4.41Å; L1527-A1570 HydrophobicContact CD1-CB 3.77Å; T1530-A1570 HydrophobicContact CG2-CB 4.37Å; R1566-A1570 WeakPolarHBondContact O-CB 3.21Å; R1566-A1570 PolarHBondContact O-N 3.04Å; L1567-A1570 PolarHBondContact O-N 3.1Å; A1570-D1573 PolarHBondContact O-N 3.08Å; A1570-V1574 WeakPolarHBondContact O-CG2 3.19Å; A1570-V1574 PolarHBondContact O-N 3.04Å; A1570-V1574 VanDerWaalsContact O-N 3.13Å |
| 1571 | V | 83.6 | Confident | 76.9 | Confident | 0.4 Ų | 0.4 | 32.2 Ų | 32.2 | 0% | 0.002 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 173.5 | 165.6 | 0 | 0 | 0 | 0 | 111.2 | L1462 L1465 L1527 L1567 S1569 D1573 V1574 V1575 F1595 | L1462-V1571 HydrophobicContact CD1-CB 4.1Å; L1462-V1571 HydrophobicContact CD1-CG1 3.97Å; L1462-V1571 HydrophobicContact CD1-CG2 4.07Å; L1465-V1571 HydrophobicContact CB-CG1 4.31Å; L1465-V1571 HydrophobicContact CD1-CG1 4.22Å; L1527-V1571 HydrophobicContact CD1-CG2 4Å; L1567-V1571 HydrophobicContact CG-CG2 4.47Å; L1567-V1571 WeakPolarHBondContact O-CB 3.25Å; L1567-V1571 VanDerWaalsContact O-CG2 3.32Å; L1567-V1571 WeakPolarHBondContact O-CG2 3.25Å; L1567-V1571 PolarHBondContact O-N 3.26Å; S1569-V1571 VanDerWaalsContact C-N 3.34Å; S1569-V1571 PolarHBondContact O-N 3.13Å; V1571-D1573 VanDerWaalsContact C-N 3.25Å; V1571-D1573 PolarHBondContact O-N 3.18Å; V1571-V1574 PolarHBondContact O-N 3.33Å; V1571-V1575 HydrophobicContact CG1-CG2 4.41Å; V1571-V1575 WeakPolarHBondContact O-CG2 3.38Å; V1571-V1575 PolarHBondContact O-N 3.29Å; V1571-F1595 HydrophobicContact CG1-CE1 4.39Å; V1571-F1595 HydrophobicContact CG1-CE2 4.39Å; V1571-F1595 HydrophobicContact CG1-CZ 3.65Å; V1571-F1595 HydrophobicContact CG2-CZ 4.38Å |
| 1572 | A | 82.1 | Confident | 75.4 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -33.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1465 T1568 S1569 R1576 | L1465-A1572 HydrophobicContact CD1-CB 3.74Å; L1465-A1572 HydrophobicContact CD2-CB 4.38Å; T1568-A1572 VanDerWaalsContact O-CB 3.23Å; T1568-A1572 WeakPolarHBondContact O-CB 3.33Å; T1568-A1572 PolarHBondContact O-N 3.31Å; S1569-A1572 WeakPolarHBondContact O-CB 3.36Å; S1569-A1572 PolarHBondContact O-N 3.24Å; A1572-R1576 VanDerWaalsContact O-CB 3.24Å; A1572-R1576 WeakPolarHBondContact O-CB 3.37Å; A1572-R1576 PolarHBondContact O-N 3.25Å |
| 1573 | D | 82.6 | Confident | 73.9 | Confident | 56.6 Ų | 56.6 | 38.9 Ų | 38.9 | 30% | 0.303 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.6 | -38.6 | 176.7 | -68.5 | -21.2 | 0 | 0 | 0 | 111.7 | T1523 S1569 A1570 V1571 R1576 A1577 | T1523-D1573 HydrophobicContact CG2-CB 4.14Å; S1569-D1573 VanDerWaalsContact O-CG 3.25Å; S1569-D1573 PolarHBondContact O-N 3.08Å; A1570-D1573 PolarHBondContact O-N 3.08Å; V1571-D1573 VanDerWaalsContact C-N 3.25Å; V1571-D1573 PolarHBondContact O-N 3.18Å; D1573-R1576 PolarHBondContact O-N 3.11Å; D1573-R1576 IonicContact OD1-CZ 3.27Å; D1573-R1576 VanDerWaalsContact OD1-CZ 3.28Å; D1573-R1576 IonicContact OD1-NH1 3.08Å; D1573-R1576 PolarHBondContact OD1-NH1 3.24Å; D1573-R1576 IonicContact OD1-NH2 3.37Å; D1573-R1576 PolarHBondContact OD1-NH2 3.17Å; D1573-R1576 VanDerWaalsContact OD1-NH2 3.15Å; D1573-A1577 VanDerWaalsContact O-CB 3.3Å; D1573-A1577 WeakPolarHBondContact O-CB 3.27Å; D1573-A1577 PolarHBondContact O-N 3.09Å |
| 1574 | V | 81.3 | Confident | 72.5 | Confident | 0.2 Ų | 0.2 | 41.9 Ų | 41.9 | 0% | 0.001 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 172.2 | 174 | 0 | 0 | 0 | 0 | 111.1 | M1520 L1527 A1570 V1571 R1576 A1577 A1578 L1592 W1639 L1643 | M1520-V1574 HydrophobicContact CE-CG1 3.79Å; M1520-V1574 HydrophobicContact SD-CG1 4.16Å; L1527-V1574 HydrophobicContact CB-CG2 4.19Å; L1527-V1574 HydrophobicContact CD2-CG2 4.08Å; A1570-V1574 WeakPolarHBondContact O-CG2 3.19Å; A1570-V1574 PolarHBondContact O-N 3.04Å; A1570-V1574 VanDerWaalsContact O-N 3.13Å; V1571-V1574 PolarHBondContact O-N 3.33Å; V1574-R1576 VanDerWaalsContact C-N 3.27Å; V1574-R1576 PolarHBondContact O-N 3.08Å; V1574-A1577 PolarHBondContact O-N 3.15Å; V1574-A1578 WeakPolarHBondContact O-CB 3.29Å; V1574-A1578 PolarHBondContact O-N 3.3Å; V1574-L1592 HydrophobicContact CG1-CD2 4.38Å; V1574-W1639 HydrophobicContact CG1-CH2 4.17Å; V1574-L1643 HydrophobicContact CG1-CD2 4Å |
| 1575 | V | 78.3 | Confident | 71 | Confident | 7.6 Ų | 7.6 | 43.6 Ų | 43.6 | 5% | 0.046 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -35.1 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | A1469 I1472 I1504 V1571 A1578 G1579 Y1580 F1595 | A1469-V1575 HydrophobicContact CB-CG2 4.38Å; I1472-V1575 HydrophobicContact CD1-CG1 4.43Å; I1504-V1575 HydrophobicContact CD1-CG1 4.17Å; V1571-V1575 HydrophobicContact CG1-CG2 4.41Å; V1571-V1575 WeakPolarHBondContact O-CG2 3.38Å; V1571-V1575 PolarHBondContact O-N 3.29Å; V1575-A1578 WeakPolarHBondContact O-CB 3.33Å; V1575-G1579 VanDerWaalsContact O-CA 3.26Å; V1575-G1579 WeakPolarHBondContact O-CA 2.87Å; V1575-G1579 PolarHBondContact O-N 3.24Å; V1575-Y1580 HydrophobicContact CG1-CD2 3.91Å; V1575-Y1580 HydrophobicContact CG1-CE2 3.91Å; V1575-F1595 HydrophobicContact CG2-CE1 4.39Å |
| 1576 | R | 77.3 | Confident | 69.5 | Low | 139.2 Ų | 139.2 | 50.1 Ų | 50.1 | 53% | 0.525 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.4 | -41.2 | 176.3 | -166.3 | -176.3 | -50.7 | 119.7 | 17.6 | 112.3 | A1572 D1573 V1574 A1578 G1579 | A1572-R1576 VanDerWaalsContact O-CB 3.24Å; A1572-R1576 WeakPolarHBondContact O-CB 3.37Å; A1572-R1576 PolarHBondContact O-N 3.25Å; D1573-R1576 PolarHBondContact O-N 3.11Å; D1573-R1576 IonicContact OD1-CZ 3.27Å; D1573-R1576 VanDerWaalsContact OD1-CZ 3.28Å; D1573-R1576 IonicContact OD1-NH1 3.08Å; D1573-R1576 PolarHBondContact OD1-NH1 3.24Å; D1573-R1576 IonicContact OD1-NH2 3.37Å; D1573-R1576 PolarHBondContact OD1-NH2 3.17Å; D1573-R1576 VanDerWaalsContact OD1-NH2 3.15Å; V1574-R1576 VanDerWaalsContact C-N 3.27Å; V1574-R1576 PolarHBondContact O-N 3.08Å; R1576-A1578 VanDerWaalsContact C-N 3.29Å; R1576-A1578 PolarHBondContact O-N 3.25Å; R1576-G1579 PolarHBondContact O-N 3.24Å; R1576-G1579 VanDerWaalsContact O-N 3.11Å |
| 1577 | A | 74.7 | Confident | 68.3 | Low | 6 Ų | 6 | 48.5 Ų | 48.5 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.8 | -34.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1516 Q1519 M1520 T1523 D1573 V1574 G1579 | I1516-A1577 WeakPolarHBondContact CG2-O 3.15Å; Q1519-A1577 HydrophobicContact CB-CB 4.34Å; Q1519-A1577 HydrophobicContact CG-CB 3.94Å; M1520-A1577 HydrophobicContact CG-CB 4.16Å; M1520-A1577 HydrophobicContact SD-CB 4.24Å; T1523-A1577 HydrophobicContact CG2-CB 4.07Å; D1573-A1577 VanDerWaalsContact O-CB 3.3Å; D1573-A1577 WeakPolarHBondContact O-CB 3.27Å; D1573-A1577 PolarHBondContact O-N 3.09Å; V1574-A1577 PolarHBondContact O-N 3.15Å; A1577-G1579 VanDerWaalsContact C-N 3.31Å; A1577-G1579 PolarHBondContact O-N 3.25Å; A1577-G1579 VanDerWaalsContact O-N 3.13Å |
| 1578 | A | 69.6 | Low | 67.3 | Low | 3.4 Ų | 3.4 | 48.6 Ų | 48.6 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1520 V1574 V1575 R1576 L1585 I1588 L1592 | M1520-A1578 VanDerWaalsContact CE-CA 3.44Å; M1520-A1578 HydrophobicContact CE-CB 3.99Å; M1520-A1578 HydrophobicContact SD-CB 4.28Å; V1574-A1578 WeakPolarHBondContact O-CB 3.29Å; V1574-A1578 PolarHBondContact O-N 3.3Å; V1575-A1578 WeakPolarHBondContact O-CB 3.33Å; R1576-A1578 VanDerWaalsContact C-N 3.29Å; R1576-A1578 PolarHBondContact O-N 3.25Å; A1578-L1585 VanDerWaalsContact O-CD1 3.26Å; A1578-L1585 WeakPolarHBondContact O-CD1 3.29Å; A1578-I1588 HydrophobicContact CB-CG2 4.24Å; A1578-I1588 WeakPolarHBondContact O-CD1 3.48Å; A1578-L1592 HydrophobicContact CB-CD1 3.83Å; A1578-L1592 HydrophobicContact CB-CD2 4.34Å; A1578-L1592 HydrophobicContact CB-CG 4.3Å |
| 1579 | G | 63.3 | Low | 66.4 | Low | 14.2 Ų | 14.2 | 48.6 Ų | 48.6 | 15% | 0.146 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 100.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1575 R1576 A1577 R1581 S1582 L1585 | V1575-G1579 VanDerWaalsContact O-CA 3.26Å; V1575-G1579 WeakPolarHBondContact O-CA 2.87Å; V1575-G1579 PolarHBondContact O-N 3.24Å; R1576-G1579 PolarHBondContact O-N 3.24Å; R1576-G1579 VanDerWaalsContact O-N 3.11Å; A1577-G1579 VanDerWaalsContact C-N 3.31Å; A1577-G1579 PolarHBondContact O-N 3.25Å; A1577-G1579 VanDerWaalsContact O-N 3.13Å; G1579-R1581 VanDerWaalsContact C-N 3.34Å; G1579-R1581 PolarHBondContact O-N 3Å; G1579-S1582 WeakPolarHBondContact CA-OG 3.36Å; G1579-L1585 VanDerWaalsContact O-CD1 3.29Å; G1579-L1585 WeakPolarHBondContact O-CD1 3.31Å |
| 1580 | Y | 51.3 | Low | 65.7 | Low | 105.2 Ų | 105.2 | 51.7 Ų | 51.7 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 84.2 | 176.5 | -148.3 | -101.6 | 0 | 0 | 0 | 111.8 | D1468 R1471 I1472 M1475 P1502 M1506 V1575 | D1468-Y1580 PolarHBondContact O-OH 3.44Å; D1468-Y1580 PolarHBondContact OD2-OH 3.12Å; D1468-Y1580 VanDerWaalsContact OD2-OH 3.05Å; R1471-Y1580 VanDerWaalsContact CZ-OH 3.24Å; R1471-Y1580 PolarHBondContact NE-OH 3.37Å; R1471-Y1580 PolarHBondContact NH2-OH 3.15Å; I1472-Y1580 HydrophobicContact CD1-CD2 4.33Å; I1472-Y1580 HydrophobicContact CD1-CE2 3.92Å; I1472-Y1580 HydrophobicContact CG1-CD1 4.35Å; I1472-Y1580 HydrophobicContact CG1-CD2 4.39Å; I1472-Y1580 HydrophobicContact CG1-CE1 3.84Å; I1472-Y1580 HydrophobicContact CG1-CE2 3.85Å; M1475-Y1580 HydrophobicContact CE-CE1 4.48Å; M1475-Y1580 HydrophobicContact SD-CD1 4.48Å; M1475-Y1580 HydrophobicContact SD-CE1 3.84Å; P1502-Y1580 HydrophobicContact CB-CE2 4.47Å; M1506-Y1580 HydrophobicContact CE-CD1 3.35Å; M1506-Y1580 HydrophobicContact CE-CD2 3.89Å; M1506-Y1580 HydrophobicContact CE-CE1 4.13Å; M1506-Y1580 HydrophobicContact CE-CG 3.22Å; M1506-Y1580 WeakPolarHBondContact SD-CB 3.21Å; M1506-Y1580 HydrophobicContact SD-CD1 4.46Å; M1506-Y1580 HydrophobicContact SD-CG 3.94Å; V1575-Y1580 HydrophobicContact CG1-CD2 3.91Å; V1575-Y1580 HydrophobicContact CG1-CE2 3.91Å |
| 1581 | R | 49.9 | Very low | 64.9 | Low | 176.2 Ų | 176.2 | 51.6 Ų | 51.6 | 67% | 0.665 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | 33.1 | 176 | -57.4 | -175.7 | 178.7 | 179.3 | -0.8 | 114.9 | S1509 I1516 G1579 A1583 Q1584 L1585 | S1509-R1581 PolarHBondContact OG-NH2 3.24Å; I1516-R1581 VanDerWaalsContact CG1-NH1 3.31Å; G1579-R1581 VanDerWaalsContact C-N 3.34Å; G1579-R1581 PolarHBondContact O-N 3Å; R1581-A1583 PolarHBondContact O-N 3.42Å; R1581-Q1584 PolarHBondContact O-N 3.15Å; R1581-L1585 PolarHBondContact O-N 3.32Å |
| 1582 | S | 48.7 | Very low | 64.3 | Low | 50 Ų | 50 | 51.8 Ų | 51.8 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | trans | -80.5 | 138.8 | 176.8 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | G1579 Q1584 L1585 | G1579-S1582 WeakPolarHBondContact CA-OG 3.36Å; S1582-Q1584 PolarHBondContact O-N 2.82Å; S1582-L1585 PolarHBondContact O-N 3.06Å | ||
| 1583 | A | 48.7 | Very low | 63.8 | Low | 102.2 Ų | 102.2 | 55.6 Ų | 55.6 | 85% | 0.845 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1581 L1585 | R1581-A1583 PolarHBondContact O-N 3.42Å; A1583-L1585 VanDerWaalsContact C-N 3.27Å; A1583-L1585 PolarHBondContact O-N 3.2Å |
| 1584 | Q | 50.9 | Low | 63.3 | Low | 62.4 Ų | 62.4 | 56.2 Ų | 56.2 | 29% | 0.292 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 1.2 | -178.9 | -70 | 157 | -36.9 | 0 | 0 | 113.6 | L1511 I1516 R1581 S1582 R1586 S1587 I1588 | L1511-Q1584 PolarHBondContact O-NE2 3.13Å; L1511-Q1584 VanDerWaalsContact O-NE2 3.14Å; I1516-Q1584 HydrophobicContact CD1-CB 4.45Å; R1581-Q1584 PolarHBondContact O-N 3.15Å; S1582-Q1584 PolarHBondContact O-N 2.82Å; Q1584-R1586 VanDerWaalsContact C-N 3.25Å; Q1584-R1586 PolarHBondContact O-N 3.12Å; Q1584-R1586 VanDerWaalsContact O-N 3.13Å; Q1584-S1587 PolarHBondContact O-N 3.08Å; Q1584-S1587 VanDerWaalsContact O-N 3.1Å; Q1584-S1587 PolarHBondContact O-OG 3.18Å; Q1584-S1587 VanDerWaalsContact O-OG 3.1Å; Q1584-I1588 HydrophobicContact CB-CD1 4.29Å |
| 1585 | L | 50.1 | Low | 63.3 | Low | 35.8 Ų | 35.8 | 56.3 Ų | 56.3 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.7 | -32.7 | 179.8 | -138.3 | 77.7 | 0 | 0 | 0 | 113.4 | I1472 M1475 A1578 G1579 R1581 S1582 A1583 S1587 I1588 G1589 | I1472-L1585 HydrophobicContact CB-CD2 4.28Å; I1472-L1585 HydrophobicContact CG1-CD2 4.35Å; I1472-L1585 HydrophobicContact CG2-CD1 4.25Å; I1472-L1585 HydrophobicContact CG2-CD2 3.77Å; I1472-L1585 VanDerWaalsContact CG2-CD2 3.4Å; I1472-L1585 HydrophobicContact CG2-CG 4.17Å; M1475-L1585 HydrophobicContact CB-CD2 3.54Å; M1475-L1585 HydrophobicContact CE-CD2 3.85Å; M1475-L1585 HydrophobicContact SD-CD2 4.44Å; A1578-L1585 VanDerWaalsContact O-CD1 3.26Å; A1578-L1585 WeakPolarHBondContact O-CD1 3.29Å; G1579-L1585 VanDerWaalsContact O-CD1 3.29Å; G1579-L1585 WeakPolarHBondContact O-CD1 3.31Å; R1581-L1585 PolarHBondContact O-N 3.32Å; S1582-L1585 PolarHBondContact O-N 3.06Å; A1583-L1585 VanDerWaalsContact C-N 3.27Å; A1583-L1585 PolarHBondContact O-N 3.2Å; L1585-S1587 VanDerWaalsContact C-N 3.28Å; L1585-S1587 PolarHBondContact O-N 3.13Å; L1585-S1587 VanDerWaalsContact O-N 3.13Å; L1585-I1588 PolarHBondContact O-N 3.23Å; L1585-I1588 VanDerWaalsContact O-N 3.12Å; L1585-G1589 PolarHBondContact O-N 2.92Å; L1585-G1589 VanDerWaalsContact O-N 3.08Å |
| 1586 | R | 51.6 | Low | 63.2 | Low | 159.2 Ų | 159.2 | 57.7 Ų | 57.7 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.4 | -29.3 | -179.5 | -138.4 | 179.2 | -135.6 | 143 | 7.2 | 113.1 | E1479 E1498 Q1584 | E1479-R1586 IonicContact OE2-CZ 3.48Å; E1479-R1586 IonicContact OE2-NE 3.7Å; E1479-R1586 IonicContact OE2-NH1 3.33Å; E1479-R1586 PolarHBondContact OE2-NH1 2.97Å; E1479-R1586 IonicContact OE2-NH2 3.16Å; E1479-R1586 PolarHBondContact OE2-NH2 2.96Å; E1498-R1586 IonicContact OE2-NH2 3.03Å; E1498-R1586 PolarHBondContact OE2-NH2 3.12Å; Q1584-R1586 VanDerWaalsContact C-N 3.25Å; Q1584-R1586 PolarHBondContact O-N 3.12Å; Q1584-R1586 VanDerWaalsContact O-N 3.13Å |
| 1587 | S | 57.2 | Low | 63.2 | Low | 39.8 Ų | 39.8 | 58 Ų | 58 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -90.9 | -17.5 | -179.9 | 65.8 | 0 | 0 | 0 | 0 | 114 | L1513 Q1584 L1585 H1590 | L1513-S1587 WeakPolarHBondContact CD1-OG 3.16Å; Q1584-S1587 PolarHBondContact O-N 3.08Å; Q1584-S1587 VanDerWaalsContact O-N 3.1Å; Q1584-S1587 PolarHBondContact O-OG 3.18Å; Q1584-S1587 VanDerWaalsContact O-OG 3.1Å; L1585-S1587 VanDerWaalsContact C-N 3.28Å; L1585-S1587 PolarHBondContact O-N 3.13Å; L1585-S1587 VanDerWaalsContact O-N 3.13Å; S1587-H1590 PolarHBondContact O-CE1 3.16Å; S1587-H1590 PolarHBondContact O-ND1 3.26Å; S1587-H1590 VanDerWaalsContact O-ND1 3.15Å |
| 1588 | I | 62.1 | Low | 63.4 | Low | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -106.9 | -23.8 | -169.9 | -62.8 | 156.9 | 0 | 0 | 0 | 112.5 | I1516 Y1517 M1520 A1578 Q1584 L1585 H1590 L1591 | I1516-I1588 HydrophobicContact CD1-CD1 4.15Å; I1516-I1588 HydrophobicContact CG2-CD1 3.71Å; I1516-I1588 HydrophobicContact CG2-CG1 4.5Å; Y1517-I1588 HydrophobicContact CE1-CG1 4.26Å; M1520-I1588 HydrophobicContact CE-CG2 3.85Å; M1520-I1588 HydrophobicContact SD-CG2 3.95Å; M1520-I1588 VanDerWaalsContact SD-CG2 3.52Å; A1578-I1588 HydrophobicContact CB-CG2 4.24Å; A1578-I1588 WeakPolarHBondContact O-CD1 3.48Å; Q1584-I1588 HydrophobicContact CB-CD1 4.29Å; L1585-I1588 PolarHBondContact O-N 3.23Å; L1585-I1588 VanDerWaalsContact O-N 3.12Å; I1588-H1590 PolarHBondContact O-N 3.22Å; I1588-H1590 VanDerWaalsContact O-N 3.07Å; I1588-L1591 HydrophobicContact CG2-CD1 4.37Å; I1588-L1591 WeakPolarHBondContact O-CA 3.45Å; I1588-L1591 VanDerWaalsContact O-CB 3.28Å; I1588-L1591 WeakPolarHBondContact O-CB 3.42Å; I1588-L1591 PolarHBondContact O-N 3.25Å |
| 1589 | G | 65.1 | Low | 63.9 | Low | 3 Ų | 3 | 58.2 Ų | 58.2 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -53 | -34.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1585 L1591 L1592 | L1585-G1589 PolarHBondContact O-N 2.92Å; L1585-G1589 VanDerWaalsContact O-N 3.08Å; G1589-L1591 VanDerWaalsContact C-N 3.28Å; G1589-L1591 PolarHBondContact O-N 3.13Å; G1589-L1592 PolarHBondContact O-N 3.19Å; G1589-L1592 VanDerWaalsContact O-N 3.16Å |
| 1590 | H | 66.9 | Low | 64.8 | Low | 108.8 Ų | 108.8 | 61.6 Ų | 61.6 | 50% | 0.504 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -65.6 | -25 | 177.1 | 74.4 | -86.3 | 0 | 0 | 0 | 114 | S1587 I1588 L1592 N1593 | S1587-H1590 PolarHBondContact O-CE1 3.16Å; S1587-H1590 PolarHBondContact O-ND1 3.26Å; S1587-H1590 VanDerWaalsContact O-ND1 3.15Å; I1588-H1590 PolarHBondContact O-N 3.22Å; I1588-H1590 VanDerWaalsContact O-N 3.07Å; H1590-L1592 VanDerWaalsContact C-N 3.35Å; H1590-N1593 VanDerWaalsContact O-CB 3.3Å; H1590-N1593 WeakPolarHBondContact O-CB 3.32Å; H1590-N1593 PolarHBondContact O-N 3.05Å |
| 1591 | L | 66.6 | Low | 66.1 | Low | 3.6 Ų | 3.6 | 59.3 Ų | 59.3 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -73.8 | -29.4 | 176.5 | -66.2 | 180 | 0 | 0 | 0 | 112.3 | Y1517 M1520 I1588 G1589 N1593 L1643 K1646 | Y1517-L1591 HydrophobicContact CD1-CD1 4.01Å; Y1517-L1591 HydrophobicContact CE1-CD1 3.66Å; M1520-L1591 HydrophobicContact CE-CB 4.06Å; M1520-L1591 HydrophobicContact CE-CD1 4.23Å; M1520-L1591 HydrophobicContact SD-CB 4.14Å; M1520-L1591 HydrophobicContact SD-CD1 4.02Å; M1520-L1591 VanDerWaalsContact SD-CD1 3.58Å; I1588-L1591 HydrophobicContact CG2-CD1 4.37Å; I1588-L1591 WeakPolarHBondContact O-CA 3.45Å; I1588-L1591 VanDerWaalsContact O-CB 3.28Å; I1588-L1591 WeakPolarHBondContact O-CB 3.42Å; I1588-L1591 PolarHBondContact O-N 3.25Å; G1589-L1591 VanDerWaalsContact C-N 3.28Å; G1589-L1591 PolarHBondContact O-N 3.13Å; L1591-N1593 VanDerWaalsContact C-N 3.29Å; L1591-N1593 PolarHBondContact O-N 3.1Å; L1591-L1643 HydrophobicContact CB-CD1 3.95Å; L1591-L1643 WeakPolarHBondContact O-CD1 3.47Å; L1591-K1646 HydrophobicContact CD2-CB 3.6Å; L1591-K1646 HydrophobicContact CD2-CD 4.31Å; L1591-K1646 HydrophobicContact CD2-CG 4.41Å |
| 1592 | L | 72.3 | Confident | 67.6 | Low | 6.4 Ų | 6.4 | 50.9 Ų | 50.9 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -84.7 | 1.4 | 176.8 | -68.8 | 175.5 | 0 | 0 | 0 | 113.2 | I1472 V1473 M1520 V1574 A1578 G1589 H1590 N1594 F1595 W1639 | I1472-L1592 HydrophobicContact CG2-CD1 4.11Å; V1473-L1592 HydrophobicContact CG2-CB 3.91Å; M1520-L1592 HydrophobicContact CE-CD2 3.79Å; M1520-L1592 HydrophobicContact CE-CG 4.14Å; V1574-L1592 HydrophobicContact CG1-CD2 4.38Å; A1578-L1592 HydrophobicContact CB-CD1 3.83Å; A1578-L1592 HydrophobicContact CB-CD2 4.34Å; A1578-L1592 HydrophobicContact CB-CG 4.3Å; G1589-L1592 PolarHBondContact O-N 3.19Å; G1589-L1592 VanDerWaalsContact O-N 3.16Å; H1590-L1592 VanDerWaalsContact C-N 3.35Å; L1592-N1594 PolarHBondContact O-N 2.92Å; L1592-F1595 HydrophobicContact CD2-CB 4.49Å; L1592-F1595 WeakPolarHBondContact O-CB 3.39Å; L1592-F1595 PolarHBondContact O-N 3.09Å; L1592-F1595 VanDerWaalsContact O-N 3.11Å; L1592-W1639 HydrophobicContact CD2-CH2 4.19Å; L1592-W1639 HydrophobicContact CD2-CZ2 4.18Å |
| 1593 | N | 71.1 | Confident | 69.1 | Low | 85.4 Ų | 85.4 | 48.6 Ų | 48.6 | 46% | 0.457 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 135.9 | 174.9 | -155.9 | 12.4 | 0 | 0 | 0 | 109.6 | H1590 L1591 F1595 W1639 | H1590-N1593 VanDerWaalsContact O-CB 3.3Å; H1590-N1593 WeakPolarHBondContact O-CB 3.32Å; H1590-N1593 PolarHBondContact O-N 3.05Å; L1591-N1593 VanDerWaalsContact C-N 3.29Å; L1591-N1593 PolarHBondContact O-N 3.1Å; N1593-F1595 VanDerWaalsContact C-N 3.27Å; N1593-F1595 PolarHBondContact O-N 3.26Å; N1593-W1639 PolarHBondContact O-NE1 2.84Å |
| 1594 | N | 73.1 | Confident | 70.5 | Confident | 68.4 Ų | 68.4 | 49.5 Ų | 49.5 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -1.3 | -171.3 | -47.5 | -28.9 | 0 | 0 | 0 | 117 | L1592 N1596 Q1597 A1598 | L1592-N1594 PolarHBondContact O-N 2.92Å; N1594-N1596 VanDerWaalsContact C-N 3.33Å; N1594-N1596 PolarHBondContact O-N 3.33Å; N1594-Q1597 PolarHBondContact O-N 3.18Å; N1594-A1598 PolarHBondContact O-N 2.97Å; N1594-A1598 VanDerWaalsContact O-N 3.14Å |
| 1595 | F | 80.3 | Confident | 71.8 | Confident | 2.6 Ų | 2.6 | 47.2 Ų | 47.2 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.4 | -49.3 | 178.2 | 174.3 | -118.3 | 0 | 0 | 0 | 112.2 | L1466 A1469 V1571 V1575 L1592 N1593 Q1597 A1598 A1599 L1636 W1639 | L1466-F1595 HydrophobicContact CD2-CD1 4.3Å; L1466-F1595 HydrophobicContact CD2-CE1 3.53Å; L1466-F1595 VanDerWaalsContact CD2-CE1 3.43Å; L1466-F1595 HydrophobicContact CD2-CZ 3.73Å; A1469-F1595 HydrophobicContact CB-CD1 3.68Å; A1469-F1595 HydrophobicContact CB-CE1 3.67Å; A1469-F1595 VanDerWaalsContact CB-CE1 3.47Å; V1571-F1595 HydrophobicContact CG1-CE1 4.39Å; V1571-F1595 HydrophobicContact CG1-CE2 4.39Å; V1571-F1595 HydrophobicContact CG1-CZ 3.65Å; V1571-F1595 HydrophobicContact CG2-CZ 4.38Å; V1575-F1595 HydrophobicContact CG2-CE1 4.39Å; L1592-F1595 HydrophobicContact CD2-CB 4.49Å; L1592-F1595 WeakPolarHBondContact O-CB 3.39Å; L1592-F1595 PolarHBondContact O-N 3.09Å; L1592-F1595 VanDerWaalsContact O-N 3.11Å; N1593-F1595 VanDerWaalsContact C-N 3.27Å; N1593-F1595 PolarHBondContact O-N 3.26Å; F1595-Q1597 VanDerWaalsContact C-N 3.34Å; F1595-Q1597 PolarHBondContact O-N 3.22Å; F1595-A1598 PolarHBondContact O-N 3.04Å; F1595-A1598 VanDerWaalsContact O-N 3.16Å; F1595-A1599 HydrophobicContact CD2-CB 4.26Å; F1595-A1599 HydrophobicContact CE1-CB 4.43Å; F1595-A1599 HydrophobicContact CE2-CB 3.82Å; F1595-A1599 HydrophobicContact CZ-CB 3.98Å; F1595-A1599 VanDerWaalsContact O-CB 3.31Å; F1595-A1599 WeakPolarHBondContact O-CB 3.31Å; F1595-A1599 PolarHBondContact O-N 2.94Å; F1595-L1636 HydrophobicContact CE2-CD1 4.26Å; F1595-W1639 HydrophobicContact CB-CH2 4.09Å; F1595-W1639 HydrophobicContact CB-CZ2 3.55Å; F1595-W1639 HydrophobicContact CD2-CD2 4.31Å; F1595-W1639 AromaticContact CD2-CE3 3.93Å; F1595-W1639 HydrophobicContact CD2-CE3 4.01Å; F1595-W1639 AromaticContact CD2-CH2 3.23Å; F1595-W1639 HydrophobicContact CD2-CH2 3.23Å; F1595-W1639 AromaticContact CD2-CZ2 3.59Å; F1595-W1639 HydrophobicContact CD2-CZ2 3.59Å; F1595-W1639 AromaticContact CD2-CZ3 3.47Å; F1595-W1639 HydrophobicContact CD2-CZ3 3.47Å; F1595-W1639 VanDerWaalsContact CD2-CZ3 3.45Å; F1595-W1639 HydrophobicContact CE2-CE3 4.47Å; F1595-W1639 AromaticContact CE2-CH2 3.96Å; F1595-W1639 HydrophobicContact CE2-CH2 3.97Å; F1595-W1639 AromaticContact CE2-CZ3 3.87Å; F1595-W1639 HydrophobicContact CE2-CZ3 3.92Å; F1595-W1639 AromaticContact CG-CH2 3.92Å; F1595-W1639 HydrophobicContact CG-CH2 3.95Å; F1595-W1639 AromaticContact CG-CZ2 3.94Å; F1595-W1639 HydrophobicContact CG-CZ2 3.94Å; F1595-W1639 HydrophobicContact CG-CZ3 4.47Å |
| 1596 | N | 76.2 | Confident | 73.1 | Confident | 36.2 Ų | 36.2 | 45.5 Ų | 45.5 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 179.8 | -70.7 | -20.3 | 0 | 0 | 0 | 112.2 | L1466 S1470 N1594 A1598 A1599 E1600 | L1466-N1596 PolarHBondContact O-ND2 3.38Å; L1466-N1596 PolarHBondContact O-OD1 3.09Å; L1466-N1596 VanDerWaalsContact O-OD1 3.12Å; S1470-N1596 WeakPolarHBondContact CA-ND2 3.39Å; S1470-N1596 VanDerWaalsContact CB-ND2 3.29Å; S1470-N1596 WeakPolarHBondContact CB-ND2 3.3Å; S1470-N1596 PolarHBondContact N-ND2 3.3Å; S1470-N1596 PolarHBondContact OG-ND2 3.34Å; S1470-N1596 VanDerWaalsContact OG-ND2 3.16Å; N1594-N1596 VanDerWaalsContact C-N 3.33Å; N1594-N1596 PolarHBondContact O-N 3.33Å; N1596-A1598 PolarHBondContact O-N 3.23Å; N1596-A1599 PolarHBondContact O-N 3.17Å; N1596-E1600 WeakPolarHBondContact O-CB 3.36Å; N1596-E1600 PolarHBondContact O-N 3.1Å |
| 1597 | Q | 77.2 | Confident | 74.4 | Confident | 145.8 Ų | 145.8 | 39.3 Ų | 39.3 | 68% | 0.681 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.6 | -31.7 | 177.4 | -104.5 | -178.8 | 7.8 | 0 | 0 | 112.6 | N1594 F1595 P1601 | N1594-Q1597 PolarHBondContact O-N 3.18Å; F1595-Q1597 VanDerWaalsContact C-N 3.34Å; F1595-Q1597 PolarHBondContact O-N 3.22Å; Q1597-P1601 VanDerWaalsContact O-CD 3.29Å; Q1597-P1601 WeakPolarHBondContact O-CD 3.31Å; Q1597-P1601 WeakPolarHBondContact O-CG 3.35Å |
| 1598 | A | 78.3 | Confident | 75.2 | Confident | 12.6 Ų | 12.6 | 43.7 Ų | 43.7 | 10% | 0.104 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -85.9 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | N1594 F1595 N1596 L1636 W1639 | N1594-A1598 PolarHBondContact O-N 2.97Å; N1594-A1598 VanDerWaalsContact O-N 3.14Å; F1595-A1598 PolarHBondContact O-N 3.04Å; F1595-A1598 VanDerWaalsContact O-N 3.16Å; N1596-A1598 PolarHBondContact O-N 3.23Å; A1598-L1636 HydrophobicContact CB-CD1 4.13Å; A1598-W1639 HydrophobicContact CB-CB 3.88Å; A1598-W1639 HydrophobicContact CB-CG 4.11Å |
| 1599 | A | 80.7 | Confident | 75.7 | Confident | 1.6 Ų | 1.6 | 43.7 Ų | 43.7 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -93.2 | -29.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1466 F1595 N1596 V1602 A1603 L1636 | L1466-A1599 HydrophobicContact CD1-CB 4.43Å; L1466-A1599 HydrophobicContact CD2-CB 3.37Å; L1466-A1599 VanDerWaalsContact CD2-CB 3.42Å; F1595-A1599 HydrophobicContact CD2-CB 4.26Å; F1595-A1599 HydrophobicContact CE1-CB 4.43Å; F1595-A1599 HydrophobicContact CE2-CB 3.82Å; F1595-A1599 HydrophobicContact CZ-CB 3.98Å; F1595-A1599 VanDerWaalsContact O-CB 3.31Å; F1595-A1599 WeakPolarHBondContact O-CB 3.31Å; F1595-A1599 PolarHBondContact O-N 2.94Å; N1596-A1599 PolarHBondContact O-N 3.17Å; A1599-V1602 WeakPolarHBondContact O-CB 3.22Å; A1599-V1602 PolarHBondContact O-N 3.2Å; A1599-V1602 VanDerWaalsContact O-N 3.13Å; A1599-A1603 PolarHBondContact O-N 3.09Å; A1599-A1603 VanDerWaalsContact O-N 3.1Å; A1599-L1636 HydrophobicContact CB-CD1 3.81Å |
| 1600 | E | 82.4 | Confident | 76.2 | Confident | 86.4 Ų | 86.4 | 43.8 Ų | 43.8 | 40% | 0.404 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 177.2 | -178.8 | 178.3 | -163.1 | 0 | 0 | 112.8 | L1466 N1596 V1602 A1603 Y1604 | L1466-E1600 HydrophobicContact CD1-CB 4.36Å; N1596-E1600 WeakPolarHBondContact O-CB 3.36Å; N1596-E1600 PolarHBondContact O-N 3.1Å; E1600-V1602 PolarHBondContact O-N 3.05Å; E1600-V1602 VanDerWaalsContact O-N 3.17Å; E1600-A1603 PolarHBondContact O-N 3.16Å; E1600-A1603 VanDerWaalsContact O-N 3.14Å; E1600-Y1604 HydrophobicContact CG-CD2 3.71Å; E1600-Y1604 HydrophobicContact CG-CE2 3.41Å; E1600-Y1604 VanDerWaalsContact O-CD2 3.26Å; E1600-Y1604 WeakPolarHBondContact O-CD2 3.3Å; E1600-Y1604 PolarHBondContact O-N 3.22Å; E1600-Y1604 VanDerWaalsContact O-N 3.11Å; E1600-Y1604 WeakPolarHBondContact OE1-CE2 3.46Å |
| 1601 | P | 78.5 | Confident | 76.4 | Confident | 55.2 Ų | 55.2 | 43.3 Ų | 43.3 | 36% | 0.358 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.6 | -27 | 173.9 | -23.6 | 34.9 | 0 | 0 | 0 | 113.9 | Q1597 G1605 S1632 | Q1597-P1601 VanDerWaalsContact O-CD 3.29Å; Q1597-P1601 WeakPolarHBondContact O-CD 3.31Å; Q1597-P1601 WeakPolarHBondContact O-CG 3.35Å; P1601-G1605 WeakPolarHBondContact O-CA 3.46Å; P1601-G1605 PolarHBondContact O-N 3.2Å; P1601-G1605 VanDerWaalsContact O-N 3.09Å; P1601-S1632 PolarHBondContact O-OG 2.96Å |
| 1602 | V | 81.2 | Confident | 76.4 | Confident | 1.2 Ų | 1.2 | 45.6 Ų | 45.6 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.5 | -42 | 176.1 | 180 | 0 | 0 | 0 | 0 | 110.4 | L1567 A1599 E1600 G1605 L1606 L1629 S1632 L1633 L1636 | L1567-V1602 HydrophobicContact CD1-CG1 4.12Å; L1567-V1602 HydrophobicContact CD2-CB 4.47Å; L1567-V1602 HydrophobicContact CD2-CG1 3.36Å; A1599-V1602 WeakPolarHBondContact O-CB 3.22Å; A1599-V1602 PolarHBondContact O-N 3.2Å; A1599-V1602 VanDerWaalsContact O-N 3.13Å; E1600-V1602 PolarHBondContact O-N 3.05Å; E1600-V1602 VanDerWaalsContact O-N 3.17Å; V1602-G1605 PolarHBondContact O-N 3.25Å; V1602-L1606 HydrophobicContact CG1-CD1 4.15Å; V1602-L1606 HydrophobicContact CG1-CG 4.44Å; V1602-L1606 WeakPolarHBondContact O-CB 3.36Å; V1602-L1606 WeakPolarHBondContact O-CG 3.33Å; V1602-L1606 PolarHBondContact O-N 3.08Å; V1602-L1629 HydrophobicContact CG1-CD1 4.33Å; V1602-S1632 VanDerWaalsContact CG2-C 3.47Å; V1602-S1632 WeakPolarHBondContact CG2-O 3.31Å; V1602-L1633 HydrophobicContact CG1-CD2 3.66Å; V1602-L1633 HydrophobicContact CG1-CG 4.31Å; V1602-L1633 HydrophobicContact CG2-CD2 4.33Å; V1602-L1636 HydrophobicContact CB-CD2 4.47Å; V1602-L1636 HydrophobicContact CG2-CB 4.06Å; V1602-L1636 HydrophobicContact CG2-CD2 4.08Å |
| 1603 | A | 80 | Confident | 76 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1462 F1463 L1466 A1599 E1600 G1605 L1606 Q1607 | L1462-A1603 HydrophobicContact CD2-CB 3.69Å; L1462-A1603 HydrophobicContact CG-CB 4.05Å; F1463-A1603 HydrophobicContact CD1-CB 4.05Å; F1463-A1603 HydrophobicContact CD2-CB 4.4Å; F1463-A1603 HydrophobicContact CE1-CB 3.63Å; F1463-A1603 HydrophobicContact CE2-CB 4.02Å; F1463-A1603 HydrophobicContact CG-CB 4.42Å; F1463-A1603 HydrophobicContact CZ-CB 3.62Å; L1466-A1603 HydrophobicContact CD1-CB 3.84Å; A1599-A1603 PolarHBondContact O-N 3.09Å; A1599-A1603 VanDerWaalsContact O-N 3.1Å; E1600-A1603 PolarHBondContact O-N 3.16Å; E1600-A1603 VanDerWaalsContact O-N 3.14Å; A1603-G1605 PolarHBondContact O-N 3.49Å; A1603-L1606 PolarHBondContact O-N 3.18Å; A1603-Q1607 WeakPolarHBondContact O-CB 3.35Å; A1603-Q1607 PolarHBondContact O-N 3.2Å |
| 1604 | Y | 78.7 | Confident | 75.1 | Confident | 122.8 Ų | 122.8 | 50.3 Ų | 50.3 | 48% | 0.482 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 173.9 | -75.3 | -66.8 | 0 | 0 | 0 | 112.4 | F1463 E1600 L1606 Q1607 Y1608 | F1463-Y1604 HydrophobicContact CE1-CD1 4.16Å; F1463-Y1604 HydrophobicContact CE1-CD2 4.14Å; F1463-Y1604 AromaticContact CE1-CE1 3.87Å; F1463-Y1604 HydrophobicContact CE1-CE1 3.92Å; F1463-Y1604 AromaticContact CE1-CE2 3.88Å; F1463-Y1604 HydrophobicContact CE1-CE2 3.92Å; F1463-Y1604 HydrophobicContact CE1-CG 4.25Å; F1463-Y1604 AromaticContact CE1-CZ 3.79Å; F1463-Y1604 AromaticContact CZ-CD1 3.73Å; F1463-Y1604 HydrophobicContact CZ-CD1 3.73Å; F1463-Y1604 HydrophobicContact CZ-CD2 4.35Å; F1463-Y1604 AromaticContact CZ-CE1 3.81Å; F1463-Y1604 HydrophobicContact CZ-CE1 3.81Å; F1463-Y1604 HydrophobicContact CZ-CE2 4.44Å; F1463-Y1604 AromaticContact CZ-CG 3.93Å; F1463-Y1604 HydrophobicContact CZ-CG 4Å; E1600-Y1604 HydrophobicContact CG-CD2 3.71Å; E1600-Y1604 HydrophobicContact CG-CE2 3.41Å; E1600-Y1604 VanDerWaalsContact O-CD2 3.26Å; E1600-Y1604 WeakPolarHBondContact O-CD2 3.3Å; E1600-Y1604 PolarHBondContact O-N 3.22Å; E1600-Y1604 VanDerWaalsContact O-N 3.11Å; E1600-Y1604 WeakPolarHBondContact OE1-CE2 3.46Å; Y1604-L1606 VanDerWaalsContact C-N 3.31Å; Y1604-L1606 PolarHBondContact O-N 3.22Å; Y1604-Q1607 PolarHBondContact O-N 3.23Å; Y1604-Y1608 VanDerWaalsContact O-CB 3.29Å; Y1604-Y1608 WeakPolarHBondContact O-CB 3.33Å; Y1604-Y1608 PolarHBondContact O-N 3.39Å |
| 1605 | G | 77.1 | Confident | 73.8 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1601 V1602 A1603 Y1608 A1609 | P1601-G1605 WeakPolarHBondContact O-CA 3.46Å; P1601-G1605 PolarHBondContact O-N 3.2Å; P1601-G1605 VanDerWaalsContact O-N 3.09Å; V1602-G1605 PolarHBondContact O-N 3.25Å; A1603-G1605 PolarHBondContact O-N 3.49Å; G1605-Y1608 PolarHBondContact O-N 3.15Å; G1605-A1609 VanDerWaalsContact O-CB 3.28Å; G1605-A1609 WeakPolarHBondContact O-CB 3.4Å; G1605-A1609 PolarHBondContact O-N 3.33Å |
| 1606 | L | 79 | Confident | 71.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -47 | 175.5 | -92.7 | 154.9 | 0 | 0 | 0 | 111.1 | V1459 L1462 L1560 I1563 A1564 L1567 V1602 A1603 Y1604 Y1608 A1609 M1610 L1629 | V1459-L1606 HydrophobicContact CG2-CB 4.24Å; V1459-L1606 HydrophobicContact CG2-CD2 3.77Å; V1459-L1606 HydrophobicContact CG2-CG 4.1Å; L1462-L1606 HydrophobicContact CD2-CD1 4.3Å; L1462-L1606 HydrophobicContact CD2-CD2 4.49Å; L1560-L1606 HydrophobicContact CD1-CD2 3.61Å; L1560-L1606 HydrophobicContact CD2-CD1 4.41Å; L1560-L1606 HydrophobicContact CD2-CD2 4.3Å; L1560-L1606 HydrophobicContact CG-CD2 4.36Å; I1563-L1606 HydrophobicContact CG2-CD1 4.07Å; I1563-L1606 HydrophobicContact CG2-CD2 3.99Å; A1564-L1606 HydrophobicContact CB-CD1 4.19Å; A1564-L1606 HydrophobicContact CB-CD2 3.46Å; A1564-L1606 VanDerWaalsContact CB-CD2 3.46Å; A1564-L1606 HydrophobicContact CB-CG 4.29Å; L1567-L1606 HydrophobicContact CD1-CD1 4.1Å; L1567-L1606 HydrophobicContact CD2-CD1 3.69Å; V1602-L1606 HydrophobicContact CG1-CD1 4.15Å; V1602-L1606 HydrophobicContact CG1-CG 4.44Å; V1602-L1606 WeakPolarHBondContact O-CB 3.36Å; V1602-L1606 WeakPolarHBondContact O-CG 3.33Å; V1602-L1606 PolarHBondContact O-N 3.08Å; A1603-L1606 PolarHBondContact O-N 3.18Å; Y1604-L1606 VanDerWaalsContact C-N 3.31Å; Y1604-L1606 PolarHBondContact O-N 3.22Å; L1606-Y1608 VanDerWaalsContact C-N 3.31Å; L1606-Y1608 PolarHBondContact O-N 3.22Å; L1606-A1609 PolarHBondContact O-N 3.02Å; L1606-M1610 HydrophobicContact CG-SD 4.43Å; L1606-M1610 WeakPolarHBondContact O-CB 3.08Å; L1606-M1610 VanDerWaalsContact O-CG 3.28Å; L1606-M1610 WeakPolarHBondContact O-CG 3.34Å; L1606-M1610 PolarHBondContact O-N 3.08Å; L1606-L1629 HydrophobicContact CB-CD1 4.24Å; L1606-L1629 HydrophobicContact CD1-CD2 4.28Å; L1606-L1629 HydrophobicContact CD2-CD1 3.94Å; L1606-L1629 HydrophobicContact CD2-CD2 4.03Å; L1606-L1629 HydrophobicContact CG-CD1 3.91Å; L1606-L1629 HydrophobicContact CG-CD2 4.5Å |
| 1607 | Q | 78.1 | Confident | 69.9 | Low | 29.2 Ų | 29.2 | 61.8 Ų | 61.8 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 177.7 | -165.5 | 177.2 | 49.2 | 0 | 0 | 111.7 | V1459 A1603 Y1604 M1610 R1611 | V1459-Q1607 HydrophobicContact CG1-CB 3.93Å; V1459-Q1607 HydrophobicContact CG1-CG 4.23Å; A1603-Q1607 WeakPolarHBondContact O-CB 3.35Å; A1603-Q1607 PolarHBondContact O-N 3.2Å; Y1604-Q1607 PolarHBondContact O-N 3.23Å; Q1607-M1610 PolarHBondContact O-N 3.24Å; Q1607-R1611 VanDerWaalsContact CD-CZ 3.46Å; Q1607-R1611 VanDerWaalsContact CD-NH2 3.33Å; Q1607-R1611 WeakPolarHBondContact O-CB 3.39Å; Q1607-R1611 VanDerWaalsContact O-CG 3.27Å; Q1607-R1611 WeakPolarHBondContact O-CG 3.3Å; Q1607-R1611 PolarHBondContact O-N 3.23Å; Q1607-R1611 VanDerWaalsContact O-N 3.1Å |
| 1608 | Y | 74.1 | Confident | 67.8 | Low | 132.8 Ų | 132.8 | 61.7 Ų | 61.7 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 178.3 | -174.2 | -99.9 | 0 | 0 | 0 | 111.7 | Y1604 G1605 L1606 M1610 R1611 T1612 A1625 | Y1604-Y1608 VanDerWaalsContact O-CB 3.29Å; Y1604-Y1608 WeakPolarHBondContact O-CB 3.33Å; Y1604-Y1608 PolarHBondContact O-N 3.39Å; G1605-Y1608 PolarHBondContact O-N 3.15Å; L1606-Y1608 VanDerWaalsContact C-N 3.31Å; L1606-Y1608 PolarHBondContact O-N 3.22Å; Y1608-M1610 VanDerWaalsContact C-N 3.31Å; Y1608-M1610 PolarHBondContact O-N 3.12Å; Y1608-R1611 WeakPolarHBondContact O-CB 3.45Å; Y1608-R1611 PolarHBondContact O-N 3.19Å; Y1608-R1611 VanDerWaalsContact O-N 3.16Å; Y1608-T1612 HydrophobicContact CD1-CG2 4.29Å; Y1608-T1612 HydrophobicContact CD2-CG2 4.3Å; Y1608-T1612 HydrophobicContact CE1-CG2 3.96Å; Y1608-T1612 HydrophobicContact CE2-CG2 3.88Å; Y1608-T1612 HydrophobicContact CG-CG2 4.45Å; Y1608-T1612 WeakPolarHBondContact O-CB 3.48Å; Y1608-T1612 WeakPolarHBondContact O-CG2 3.31Å; Y1608-T1612 PolarHBondContact O-N 3.12Å; Y1608-T1612 VanDerWaalsContact O-N 3.11Å; Y1608-T1612 PolarHBondContact O-OG1 3.22Å; Y1608-T1612 VanDerWaalsContact O-OG1 3.12Å; Y1608-A1625 HydrophobicContact CD1-CB 3.8Å; Y1608-A1625 HydrophobicContact CE1-CB 3.73Å |
| 1609 | A | 73.3 | Confident | 65.7 | Low | 2.8 Ų | 2.8 | 67.4 Ų | 67.4 | 2% | 0.023 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1560 G1605 L1606 R1611 T1612 L1613 A1625 L1629 | L1560-A1609 HydrophobicContact CD1-CB 4.01Å; L1560-A1609 HydrophobicContact CD2-CB 3.9Å; G1605-A1609 VanDerWaalsContact O-CB 3.28Å; G1605-A1609 WeakPolarHBondContact O-CB 3.4Å; G1605-A1609 PolarHBondContact O-N 3.33Å; L1606-A1609 PolarHBondContact O-N 3.02Å; A1609-R1611 VanDerWaalsContact C-N 3.27Å; A1609-R1611 PolarHBondContact O-N 3.3Å; A1609-T1612 PolarHBondContact O-N 3.07Å; A1609-T1612 PolarHBondContact O-OG1 2.96Å; A1609-L1613 VanDerWaalsContact O-CD1 3.31Å; A1609-L1613 WeakPolarHBondContact O-CD1 3.46Å; A1609-L1613 VanDerWaalsContact O-CG 3.29Å; A1609-L1613 WeakPolarHBondContact O-CG 3.41Å; A1609-L1613 PolarHBondContact O-N 2.9Å; A1609-A1625 HydrophobicContact CB-CB 4.21Å; A1609-L1629 HydrophobicContact CB-CD2 4.26Å |
| 1610 | M | 74.9 | Confident | 63.7 | Low | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.03 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 176.1 | -68.9 | 179.3 | 98 | 0 | 0 | 112.9 | W1252 P1454 G1455 V1459 L1557 L1560 A1561 A1564 L1606 Q1607 Y1608 | W1252-M1610 HydrophobicContact CH2-CB 3.45Å; W1252-M1610 VanDerWaalsContact CH2-CB 3.45Å; W1252-M1610 HydrophobicContact CH2-CE 3.8Å; W1252-M1610 HydrophobicContact CH2-CG 4.4Å; W1252-M1610 HydrophobicContact CH2-SD 4.38Å; W1252-M1610 HydrophobicContact CZ2-CE 4.45Å; W1252-M1610 VanDerWaalsContact CZ3-C 3.44Å; W1252-M1610 HydrophobicContact CZ3-CB 3.65Å; W1252-M1610 VanDerWaalsContact CZ3-O 3.25Å; W1252-M1610 WeakPolarHBondContact CZ3-O 3.26Å; P1454-M1610 WeakPolarHBondContact O-CE 3.45Å; G1455-M1610 VanDerWaalsContact CA-CE 3.48Å; V1459-M1610 HydrophobicContact CG2-CE 3.99Å; V1459-M1610 HydrophobicContact CG2-SD 3.93Å; L1557-M1610 HydrophobicContact CD1-CB 4.09Å; L1557-M1610 HydrophobicContact CD1-CE 3.65Å; L1557-M1610 HydrophobicContact CD1-CG 4.19Å; L1557-M1610 HydrophobicContact CG-CE 4.35Å; L1560-M1610 HydrophobicContact CB-CE 4.11Å; L1560-M1610 HydrophobicContact CB-CG 4Å; L1560-M1610 HydrophobicContact CB-SD 4.44Å; L1560-M1610 HydrophobicContact CD1-CG 3.96Å; L1560-M1610 HydrophobicContact CD2-CB 4.09Å; L1560-M1610 HydrophobicContact CD2-CE 4.47Å; L1560-M1610 HydrophobicContact CD2-CG 3.75Å; L1560-M1610 HydrophobicContact CG-CE 3.84Å; L1560-M1610 HydrophobicContact CG-CG 4.22Å; L1560-M1610 WeakPolarHBondContact O-CE 3.41Å; A1561-M1610 HydrophobicContact CB-CE 4.28Å; A1564-M1610 HydrophobicContact CB-CE 3.7Å; L1606-M1610 HydrophobicContact CG-SD 4.43Å; L1606-M1610 WeakPolarHBondContact O-CB 3.08Å; L1606-M1610 VanDerWaalsContact O-CG 3.28Å; L1606-M1610 WeakPolarHBondContact O-CG 3.34Å; L1606-M1610 PolarHBondContact O-N 3.08Å; Q1607-M1610 PolarHBondContact O-N 3.24Å; Y1608-M1610 VanDerWaalsContact C-N 3.31Å; Y1608-M1610 PolarHBondContact O-N 3.12Å |
| 1611 | R | 71.1 | Confident | 61.6 | Low | 96.4 Ų | 96.4 | 73.8 Ų | 73.8 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -80.1 | -24.2 | 179.8 | -73 | 175.2 | -179.5 | 168.6 | 1.6 | 114 | V1249 W1252 Q1607 Y1608 A1609 | V1249-R1611 WeakPolarHBondContact CG1-O 3.31Å; W1252-R1611 HydrophobicContact CD2-CG 3.89Å; W1252-R1611 HydrophobicContact CE3-CB 4.39Å; W1252-R1611 HydrophobicContact CE3-CG 3.71Å; W1252-R1611 HydrophobicContact CG-CG 4.33Å; W1252-R1611 HydrophobicContact CZ3-CG 4.2Å; Q1607-R1611 VanDerWaalsContact CD-CZ 3.46Å; Q1607-R1611 VanDerWaalsContact CD-NH2 3.33Å; Q1607-R1611 WeakPolarHBondContact O-CB 3.39Å; Q1607-R1611 VanDerWaalsContact O-CG 3.27Å; Q1607-R1611 WeakPolarHBondContact O-CG 3.3Å; Q1607-R1611 PolarHBondContact O-N 3.23Å; Q1607-R1611 VanDerWaalsContact O-N 3.1Å; Y1608-R1611 WeakPolarHBondContact O-CB 3.45Å; Y1608-R1611 PolarHBondContact O-N 3.19Å; Y1608-R1611 VanDerWaalsContact O-N 3.16Å; A1609-R1611 VanDerWaalsContact C-N 3.27Å; A1609-R1611 PolarHBondContact O-N 3.3Å |
| 1612 | T | 66.3 | Low | 60 | Low | 51.8 Ų | 51.8 | 76.7 Ų | 76.7 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 19.1 | -175.1 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | Y1608 A1609 E1614 S1615 | Y1608-T1612 HydrophobicContact CD1-CG2 4.29Å; Y1608-T1612 HydrophobicContact CD2-CG2 4.3Å; Y1608-T1612 HydrophobicContact CE1-CG2 3.96Å; Y1608-T1612 HydrophobicContact CE2-CG2 3.88Å; Y1608-T1612 HydrophobicContact CG-CG2 4.45Å; Y1608-T1612 WeakPolarHBondContact O-CB 3.48Å; Y1608-T1612 WeakPolarHBondContact O-CG2 3.31Å; Y1608-T1612 PolarHBondContact O-N 3.12Å; Y1608-T1612 VanDerWaalsContact O-N 3.11Å; Y1608-T1612 PolarHBondContact O-OG1 3.22Å; Y1608-T1612 VanDerWaalsContact O-OG1 3.12Å; A1609-T1612 PolarHBondContact O-N 3.07Å; A1609-T1612 PolarHBondContact O-OG1 2.96Å; T1612-E1614 VanDerWaalsContact C-N 3.31Å; T1612-E1614 PolarHBondContact O-N 3.01Å; T1612-S1615 PolarHBondContact O-N 3.37Å; T1612-S1615 PolarHBondContact O-OG 2.97Å |
| 1613 | L | 64.1 | Low | 58.4 | Low | 27.6 Ų | 27.6 | 80.2 Ų | 80.2 | 15% | 0.145 | 43% | 0.431 | C | S | . | . | trans | -67.4 | 79.6 | 176.7 | -85.8 | 153.2 | 0 | 0 | 0 | 111.4 | D1245 V1249 N1556 L1557 L1560 A1609 S1615 S1616 | D1245-L1613 HydrophobicContact CB-CD2 3.8Å; D1245-L1613 VanDerWaalsContact CG-CD2 3.41Å; D1245-L1613 WeakPolarHBondContact OD2-CD2 3.4Å; V1249-L1613 HydrophobicContact CG2-CB 4.08Å; N1556-L1613 HydrophobicContact CB-CD2 3.59Å; N1556-L1613 VanDerWaalsContact CB-CD2 3.45Å; N1556-L1613 HydrophobicContact CB-CG 4.35Å; L1557-L1613 HydrophobicContact CB-CD1 3.72Å; L1557-L1613 HydrophobicContact CB-CD2 4.14Å; L1557-L1613 HydrophobicContact CD1-CD1 3.96Å; L1557-L1613 HydrophobicContact CG-CD1 4.29Å; L1560-L1613 HydrophobicContact CD1-CD1 4.34Å; L1560-L1613 HydrophobicContact CD1-CD2 3.81Å; L1560-L1613 HydrophobicContact CD1-CG 4.37Å; A1609-L1613 VanDerWaalsContact O-CD1 3.31Å; A1609-L1613 WeakPolarHBondContact O-CD1 3.46Å; A1609-L1613 VanDerWaalsContact O-CG 3.29Å; A1609-L1613 WeakPolarHBondContact O-CG 3.41Å; A1609-L1613 PolarHBondContact O-N 2.9Å; L1613-S1615 PolarHBondContact O-N 3.33Å; L1613-S1616 PolarHBondContact O-OG 2.89Å | ||
| 1614 | E | 52.9 | Low | 57 | Low | 163.4 Ų | 163.4 | 84.5 Ų | 84.5 | 76% | 0.764 | 46% | 0.461 | S | S | * | . | trans | -74 | 114.7 | 171.5 | -74.3 | -176.6 | 167 | 0 | 0 | 110.5 | T1612 S1616 | T1612-E1614 VanDerWaalsContact C-N 3.31Å; T1612-E1614 PolarHBondContact O-N 3.01Å; E1614-S1616 VanDerWaalsContact C-N 3.34Å; E1614-S1616 PolarHBondContact O-N 3.34Å | ||
| 1615 | S | 44.7 | Very low | 55.8 | Low | 82.2 Ų | 82.2 | 79.1 Ų | 79.1 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | trans | -73.9 | 39.4 | 179 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | T1612 L1613 Q1617 | T1612-S1615 PolarHBondContact O-N 3.37Å; T1612-S1615 PolarHBondContact O-OG 2.97Å; L1613-S1615 PolarHBondContact O-N 3.33Å; S1615-Q1617 VanDerWaalsContact C-N 3.26Å; S1615-Q1617 PolarHBondContact O-N 2.98Å | ||
| 1616 | S | 36.3 | Very low | 55 | Low | 89.8 Ų | 89.8 | 80.1 Ų | 80.1 | 63% | 0.628 | 45% | 0.445 | S | S | * | . | trans | -62.5 | 75.2 | 177.4 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | L1613 E1614 N1618 | L1613-S1616 PolarHBondContact O-OG 2.89Å; E1614-S1616 VanDerWaalsContact C-N 3.34Å; E1614-S1616 PolarHBondContact O-N 3.34Å; S1616-N1618 PolarHBondContact O-N 3.2Å | ||
| 1617 | Q | 38.7 | Very low | 54.1 | Low | 176.6 Ų | 176.6 | 84.8 Ų | 84.8 | 83% | 0.825 | 47% | 0.469 | S | S | * | . | trans | -97.8 | 36.8 | 166.4 | -71.7 | -162.4 | -10.3 | 0 | 0 | 112.7 | S1615 | S1615-Q1617 VanDerWaalsContact C-N 3.26Å; S1615-Q1617 PolarHBondContact O-N 2.98Å | ||
| 1618 | N | 34.2 | Very low | 53.6 | Low | 144 Ų | 144 | 87.5 Ų | 87.5 | 77% | 0.77 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -146.9 | 36.4 | 176.5 | -65.4 | -17 | 0 | 0 | 0 | 116.8 | S1616 | S1616-N1618 PolarHBondContact O-N 3.2Š|
| 1619 | D | 33.5 | Very low | 53.6 | Low | 132.2 Ų | 132.2 | 81.2 Ų | 81.2 | 71% | 0.707 | 46% | 0.463 | S | S | * | . | trans | -94.8 | 115.7 | 170.3 | -73.7 | -34.3 | 0 | 0 | 0 | 114.4 | S1621 | D1619-S1621 PolarHBondContact O-N 3.16Š| ||
| 1620 | S | 38 | Very low | 53.5 | Low | 132.4 Ų | 132.4 | 81.5 Ų | 81.5 | 93% | 0.926 | 47% | 0.466 | S | S | * | . | trans | -34.9 | 9.5 | 166 | 64.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1621 | S | 39.9 | Very low | 53.6 | Low | 90.8 Ų | 90.8 | 87.1 Ų | 87.1 | 64% | 0.635 | 49% | 0.49 | S | S | * | . | trans | -106.3 | 108.2 | 178.7 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | D1619 P1623 | D1619-S1621 PolarHBondContact O-N 3.16Å; S1621-P1623 WeakPolarHBondContact O-CD 3.44Å | ||
| 1622 | I | 43.3 | Very low | 53.9 | Low | 116.6 Ų | 116.6 | 83 Ų | 83 | 60% | 0.598 | 48% | 0.476 | S | S | * | . | trans | -73.2 | 114.5 | 171.3 | -55.9 | 166.5 | 0 | 0 | 0 | 108.7 | S1624 N1626 | I1622-S1624 PolarHBondContact O-N 3.23Å; I1622-N1626 HydrophobicContact CG2-CB 4.17Å | ||
| 1623 | P | 48.9 | Very low | 54.5 | Low | 73.4 Ų | 73.4 | 80.6 Ų | 80.6 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | trans | -67.7 | 118.1 | 178 | -8.8 | 17.7 | 0 | 0 | 0 | 111.4 | S1621 A1625 N1626 L1627 | S1621-P1623 WeakPolarHBondContact O-CD 3.44Å; P1623-A1625 HydrophobicContact CB-CB 4.49Å; P1623-A1625 PolarHBondContact O-N 3.15Å; P1623-A1625 VanDerWaalsContact O-N 3.08Å; P1623-N1626 WeakPolarHBondContact O-CB 3.41Å; P1623-N1626 PolarHBondContact O-N 3Å; P1623-L1627 PolarHBondContact O-N 2.88Å | ||
| 1624 | S | 50.6 | Low | 55.3 | Low | 90.8 Ų | 90.8 | 82.4 Ų | 82.4 | 64% | 0.635 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58.2 | -27.2 | -176.8 | 55.5 | 0 | 0 | 0 | 0 | 114 | I1622 N1626 L1627 T1628 | I1622-S1624 PolarHBondContact O-N 3.23Å; S1624-N1626 PolarHBondContact O-N 3.2Å; S1624-L1627 PolarHBondContact O-N 3.1Å; S1624-T1628 PolarHBondContact O-N 3.25Å; S1624-T1628 VanDerWaalsContact O-N 3.11Å; S1624-T1628 PolarHBondContact O-OG1 3.2Å; S1624-T1628 VanDerWaalsContact O-OG1 3.1Å |
| 1625 | A | 53.2 | Low | 56.6 | Low | 9.8 Ų | 9.8 | 81.3 Ų | 81.3 | 8% | 0.081 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1608 A1609 P1623 L1627 T1628 L1629 | Y1608-A1625 HydrophobicContact CD1-CB 3.8Å; Y1608-A1625 HydrophobicContact CE1-CB 3.73Å; A1609-A1625 HydrophobicContact CB-CB 4.21Å; P1623-A1625 HydrophobicContact CB-CB 4.49Å; P1623-A1625 PolarHBondContact O-N 3.15Å; P1623-A1625 VanDerWaalsContact O-N 3.08Å; A1625-L1627 VanDerWaalsContact C-N 3.33Å; A1625-L1627 PolarHBondContact O-N 3.25Å; A1625-T1628 PolarHBondContact O-N 3Å; A1625-T1628 VanDerWaalsContact O-N 3.16Å; A1625-T1628 PolarHBondContact O-OG1 2.81Å; A1625-L1629 PolarHBondContact O-N 3.29Å |
| 1626 | N | 59.1 | Low | 58.4 | Low | 33.6 Ų | 33.6 | 77.5 Ų | 77.5 | 18% | 0.18 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.8 | -33.7 | -177.6 | -71.3 | -14.7 | 0 | 0 | 0 | 112.1 | V1538 I1622 P1623 S1624 T1628 L1629 A1630 | V1538-N1626 HydrophobicContact CG1-CB 3.89Å; I1622-N1626 HydrophobicContact CG2-CB 4.17Å; P1623-N1626 WeakPolarHBondContact O-CB 3.41Å; P1623-N1626 PolarHBondContact O-N 3Å; S1624-N1626 PolarHBondContact O-N 3.2Å; N1626-T1628 VanDerWaalsContact C-N 3.32Å; N1626-T1628 PolarHBondContact O-N 3.47Å; N1626-L1629 PolarHBondContact O-N 3.2Å; N1626-A1630 WeakPolarHBondContact O-CB 3.41Å; N1626-A1630 PolarHBondContact O-N 3.08Å; N1626-A1630 VanDerWaalsContact O-N 3.11Å |
| 1627 | L | 60.1 | Low | 60.6 | Low | 97.8 Ų | 97.8 | 76.6 Ų | 76.6 | 51% | 0.512 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 175.2 | -171.3 | 69.6 | 0 | 0 | 0 | 111.7 | P1623 S1624 A1625 L1629 A1630 K1631 | P1623-L1627 PolarHBondContact O-N 2.88Å; S1624-L1627 PolarHBondContact O-N 3.1Å; A1625-L1627 VanDerWaalsContact C-N 3.33Å; A1625-L1627 PolarHBondContact O-N 3.25Å; L1627-L1629 VanDerWaalsContact C-N 3.29Å; L1627-L1629 PolarHBondContact O-N 2.88Å; L1627-A1630 PolarHBondContact O-N 3.16Å; L1627-K1631 WeakPolarHBondContact O-CB 3.34Å; L1627-K1631 WeakPolarHBondContact O-CD 3.3Å; L1627-K1631 WeakPolarHBondContact O-CG 3.32Å; L1627-K1631 PolarHBondContact O-N 3.11Å; L1627-K1631 VanDerWaalsContact O-N 3.11Å |
| 1628 | T | 68.4 | Low | 62.6 | Low | 86.8 Ų | 86.8 | 72.1 Ų | 72.1 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 177 | -38.2 | 0 | 0 | 0 | 0 | 110.9 | S1624 A1625 N1626 K1631 S1632 | S1624-T1628 PolarHBondContact O-N 3.25Å; S1624-T1628 VanDerWaalsContact O-N 3.11Å; S1624-T1628 PolarHBondContact O-OG1 3.2Å; S1624-T1628 VanDerWaalsContact O-OG1 3.1Å; A1625-T1628 PolarHBondContact O-N 3Å; A1625-T1628 VanDerWaalsContact O-N 3.16Å; A1625-T1628 PolarHBondContact O-OG1 2.81Å; N1626-T1628 VanDerWaalsContact C-N 3.32Å; N1626-T1628 PolarHBondContact O-N 3.47Å; T1628-K1631 PolarHBondContact O-N 3.31Å; T1628-S1632 PolarHBondContact O-N 3.16Å; T1628-S1632 PolarHBondContact O-OG 2.94Å |
| 1629 | L | 73.9 | Confident | 65 | Low | 0.8 Ų | 0.8 | 65.9 Ų | 65.9 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 174.2 | -179 | 68.1 | 0 | 0 | 0 | 111.7 | V1538 L1560 V1602 L1606 A1609 A1625 N1626 L1627 K1631 S1632 L1633 | V1538-L1629 HydrophobicContact CB-CD2 3.99Å; V1538-L1629 HydrophobicContact CG1-CB 4.47Å; V1538-L1629 HydrophobicContact CG1-CD2 3.97Å; V1538-L1629 HydrophobicContact CG1-CG 4.36Å; V1538-L1629 HydrophobicContact CG2-CD2 4.03Å; L1560-L1629 HydrophobicContact CD1-CD2 4.17Å; L1560-L1629 HydrophobicContact CD2-CD2 4.29Å; V1602-L1629 HydrophobicContact CG1-CD1 4.33Å; L1606-L1629 HydrophobicContact CB-CD1 4.24Å; L1606-L1629 HydrophobicContact CD1-CD2 4.28Å; L1606-L1629 HydrophobicContact CD2-CD1 3.94Å; L1606-L1629 HydrophobicContact CD2-CD2 4.03Å; L1606-L1629 HydrophobicContact CG-CD1 3.91Å; L1606-L1629 HydrophobicContact CG-CD2 4.5Å; A1609-L1629 HydrophobicContact CB-CD2 4.26Å; A1625-L1629 PolarHBondContact O-N 3.29Å; N1626-L1629 PolarHBondContact O-N 3.2Å; L1627-L1629 VanDerWaalsContact C-N 3.29Å; L1627-L1629 PolarHBondContact O-N 2.88Å; L1629-K1631 VanDerWaalsContact C-N 3.31Å; L1629-K1631 PolarHBondContact O-N 3.15Å; L1629-S1632 WeakPolarHBondContact CA-OG 3.31Å; L1629-S1632 PolarHBondContact O-N 3.25Å; L1629-S1632 VanDerWaalsContact O-N 3.1Å; L1629-S1632 PolarHBondContact O-OG 3.18Å; L1629-L1633 HydrophobicContact CD1-CD1 4.23Å; L1629-L1633 HydrophobicContact CD1-CG 4.25Å; L1629-L1633 HydrophobicContact CD2-CD1 3.64Å; L1629-L1633 HydrophobicContact CD2-CG 4.48Å; L1629-L1633 HydrophobicContact CG-CD1 4.01Å; L1629-L1633 HydrophobicContact CG-CG 4.46Å; L1629-L1633 VanDerWaalsContact O-CG 3.32Å; L1629-L1633 WeakPolarHBondContact O-CG 3.38Å; L1629-L1633 PolarHBondContact O-N 3.25Å |
| 1630 | A | 72.2 | Confident | 67.4 | Low | 9.6 Ų | 9.6 | 59.6 Ų | 59.6 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1626 L1627 L1633 L1634 | N1626-A1630 WeakPolarHBondContact O-CB 3.41Å; N1626-A1630 PolarHBondContact O-N 3.08Å; N1626-A1630 VanDerWaalsContact O-N 3.11Å; L1627-A1630 PolarHBondContact O-N 3.16Å; A1630-L1633 PolarHBondContact O-N 3.11Å; A1630-L1634 WeakPolarHBondContact O-CG 3.38Å; A1630-L1634 PolarHBondContact O-N 3.02Å; A1630-L1634 VanDerWaalsContact O-N 3.1Å |
| 1631 | K | 75.5 | Confident | 69.4 | Low | 122.8 Ų | 122.8 | 56.5 Ų | 56.5 | 53% | 0.534 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.3 | -73.8 | 175.5 | -179.2 | -180 | 0 | 112.3 | L1627 T1628 L1629 L1633 L1634 K1635 | L1627-K1631 WeakPolarHBondContact O-CB 3.34Å; L1627-K1631 WeakPolarHBondContact O-CD 3.3Å; L1627-K1631 WeakPolarHBondContact O-CG 3.32Å; L1627-K1631 PolarHBondContact O-N 3.11Å; L1627-K1631 VanDerWaalsContact O-N 3.11Å; T1628-K1631 PolarHBondContact O-N 3.31Å; L1629-K1631 VanDerWaalsContact C-N 3.31Å; L1629-K1631 PolarHBondContact O-N 3.15Å; K1631-L1633 VanDerWaalsContact C-N 3.33Å; K1631-L1633 PolarHBondContact O-N 2.91Å; K1631-L1634 PolarHBondContact O-N 3.07Å; K1631-K1635 PolarHBondContact O-N 3.23Å; K1631-K1635 VanDerWaalsContact O-N 3.16Å |
| 1632 | S | 77.5 | Confident | 71.4 | Confident | 11.2 Ų | 11.2 | 56 Ų | 56 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.9 | 24.9 | 0 | 0 | 0 | 0 | 112.3 | P1601 V1602 T1628 L1629 L1634 K1635 L1636 | P1601-S1632 PolarHBondContact O-OG 2.96Å; V1602-S1632 VanDerWaalsContact CG2-C 3.47Å; V1602-S1632 WeakPolarHBondContact CG2-O 3.31Å; T1628-S1632 PolarHBondContact O-N 3.16Å; T1628-S1632 PolarHBondContact O-OG 2.94Å; L1629-S1632 WeakPolarHBondContact CA-OG 3.31Å; L1629-S1632 PolarHBondContact O-N 3.25Å; L1629-S1632 VanDerWaalsContact O-N 3.1Å; L1629-S1632 PolarHBondContact O-OG 3.18Å; S1632-L1634 VanDerWaalsContact C-N 3.33Å; S1632-L1634 PolarHBondContact O-N 3.39Å; S1632-K1635 WeakPolarHBondContact O-CB 3.42Å; S1632-K1635 PolarHBondContact O-N 3.13Å; S1632-L1636 PolarHBondContact O-N 3.19Å |
| 1633 | L | 80.7 | Confident | 73.2 | Confident | 0.4 Ų | 0.4 | 50.5 Ų | 50.5 | 0% | 0.002 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 175.4 | -74 | 165.4 | 0 | 0 | 0 | 112.6 | V1534 V1538 L1567 V1602 L1629 A1630 K1631 K1635 L1636 R1637 | V1534-L1633 HydrophobicContact CB-CD1 4.37Å; V1534-L1633 HydrophobicContact CG1-CD1 3.6Å; V1534-L1633 HydrophobicContact CG1-CD2 4.17Å; V1538-L1633 HydrophobicContact CG2-CD1 4.4Å; L1567-L1633 HydrophobicContact CD1-CD2 4.02Å; L1567-L1633 HydrophobicContact CD2-CD2 4.11Å; L1567-L1633 HydrophobicContact CG-CD2 4.39Å; V1602-L1633 HydrophobicContact CG1-CD2 3.66Å; V1602-L1633 HydrophobicContact CG1-CG 4.31Å; V1602-L1633 HydrophobicContact CG2-CD2 4.33Å; L1629-L1633 HydrophobicContact CD1-CD1 4.23Å; L1629-L1633 HydrophobicContact CD1-CG 4.25Å; L1629-L1633 HydrophobicContact CD2-CD1 3.64Å; L1629-L1633 HydrophobicContact CD2-CG 4.48Å; L1629-L1633 HydrophobicContact CG-CD1 4.01Å; L1629-L1633 HydrophobicContact CG-CG 4.46Å; L1629-L1633 VanDerWaalsContact O-CG 3.32Å; L1629-L1633 WeakPolarHBondContact O-CG 3.38Å; L1629-L1633 PolarHBondContact O-N 3.25Å; A1630-L1633 PolarHBondContact O-N 3.11Å; K1631-L1633 VanDerWaalsContact C-N 3.33Å; K1631-L1633 PolarHBondContact O-N 2.91Å; L1633-K1635 VanDerWaalsContact C-N 3.34Å; L1633-L1636 PolarHBondContact O-N 2.97Å; L1633-R1637 WeakPolarHBondContact O-CB 3.36Å; L1633-R1637 PolarHBondContact O-N 3.19Å |
| 1634 | L | 79.2 | Confident | 74.6 | Confident | 65.2 Ų | 65.2 | 48.3 Ų | 48.3 | 34% | 0.341 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 174.5 | -69.7 | 171.8 | 0 | 0 | 0 | 111.7 | A1630 K1631 S1632 L1636 R1637 D1638 | A1630-L1634 WeakPolarHBondContact O-CG 3.38Å; A1630-L1634 PolarHBondContact O-N 3.02Å; A1630-L1634 VanDerWaalsContact O-N 3.1Å; K1631-L1634 PolarHBondContact O-N 3.07Å; S1632-L1634 VanDerWaalsContact C-N 3.33Å; S1632-L1634 PolarHBondContact O-N 3.39Å; L1634-L1636 VanDerWaalsContact C-N 3.35Å; L1634-L1636 PolarHBondContact O-N 3Å; L1634-R1637 WeakPolarHBondContact O-CB 3.4Å; L1634-R1637 PolarHBondContact O-N 3.24Å; L1634-D1638 VanDerWaalsContact O-CG 3.24Å; L1634-D1638 PolarHBondContact O-N 3.08Å |
| 1635 | K | 80.6 | Confident | 75.9 | Confident | 140.2 Ų | 140.2 | 49.8 Ų | 49.8 | 61% | 0.61 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.6 | -41.9 | 172.8 | -70 | -178.2 | 177.3 | -175.2 | 0 | 112.3 | K1631 S1632 L1633 R1637 D1638 W1639 | K1631-K1635 PolarHBondContact O-N 3.23Å; K1631-K1635 VanDerWaalsContact O-N 3.16Å; S1632-K1635 WeakPolarHBondContact O-CB 3.42Å; S1632-K1635 PolarHBondContact O-N 3.13Å; L1633-K1635 VanDerWaalsContact C-N 3.34Å; K1635-R1637 VanDerWaalsContact C-N 3.33Å; K1635-R1637 PolarHBondContact O-N 3.29Å; K1635-D1638 PolarHBondContact O-N 3.07Å; K1635-W1639 PolarHBondContact O-N 3.12Å |
| 1636 | L | 82.6 | Confident | 77.1 | Confident | 2.2 Ų | 2.2 | 52.5 Ų | 52.5 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 175.9 | -176.1 | 60.1 | 0 | 0 | 0 | 112.1 | L1527 L1567 F1595 A1598 A1599 V1602 S1632 L1633 L1634 W1639 A1640 | L1527-L1636 HydrophobicContact CD1-CD2 4.46Å; L1527-L1636 HydrophobicContact CD2-CD1 4.47Å; L1567-L1636 HydrophobicContact CD1-CD2 3.91Å; F1595-L1636 HydrophobicContact CE2-CD1 4.26Å; A1598-L1636 HydrophobicContact CB-CD1 4.13Å; A1599-L1636 HydrophobicContact CB-CD1 3.81Å; V1602-L1636 HydrophobicContact CB-CD2 4.47Å; V1602-L1636 HydrophobicContact CG2-CB 4.06Å; V1602-L1636 HydrophobicContact CG2-CD2 4.08Å; S1632-L1636 PolarHBondContact O-N 3.19Å; L1633-L1636 PolarHBondContact O-N 2.97Å; L1634-L1636 VanDerWaalsContact C-N 3.35Å; L1634-L1636 PolarHBondContact O-N 3Å; L1636-W1639 HydrophobicContact CD1-CE3 4.1Å; L1636-W1639 PolarHBondContact O-N 3.1Å; L1636-A1640 WeakPolarHBondContact O-CB 3.37Å; L1636-A1640 PolarHBondContact O-N 3.27Å |
| 1637 | R | 83.7 | Confident | 78 | Confident | 70.6 Ų | 70.6 | 50.9 Ų | 50.9 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 172.2 | 179.3 | -161.6 | 106.1 | -167.3 | -0.7 | 111.5 | A1528 C1531 L1633 L1634 K1635 W1639 A1640 L1641 | A1528-R1637 HydrophobicContact CB-CG 4.17Å; C1531-R1637 HydrophobicContact CB-CB 3.89Å; L1633-R1637 WeakPolarHBondContact O-CB 3.36Å; L1633-R1637 PolarHBondContact O-N 3.19Å; L1634-R1637 WeakPolarHBondContact O-CB 3.4Å; L1634-R1637 PolarHBondContact O-N 3.24Å; K1635-R1637 VanDerWaalsContact C-N 3.33Å; K1635-R1637 PolarHBondContact O-N 3.29Å; R1637-W1639 VanDerWaalsContact C-N 3.3Å; R1637-W1639 PolarHBondContact O-N 3.16Å; R1637-A1640 WeakPolarHBondContact O-CB 3.23Å; R1637-A1640 PolarHBondContact O-N 3.23Å; R1637-A1640 VanDerWaalsContact O-N 3.12Å; R1637-L1641 HydrophobicContact CG-CD1 4.37Å; R1637-L1641 WeakPolarHBondContact O-CG 3.2Å; R1637-L1641 PolarHBondContact O-N 3.08Å |
| 1638 | D | 80 | Confident | 78.7 | Confident | 82.4 Ų | 82.4 | 49.5 Ų | 49.5 | 44% | 0.441 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.3 | -40.7 | -178.4 | -66.1 | -17.7 | 0 | 0 | 0 | 110.7 | L1634 K1635 A1640 L1641 E1642 | L1634-D1638 VanDerWaalsContact O-CG 3.24Å; L1634-D1638 PolarHBondContact O-N 3.08Å; K1635-D1638 PolarHBondContact O-N 3.07Å; D1638-A1640 PolarHBondContact O-N 3.22Å; D1638-L1641 PolarHBondContact O-N 3.01Å; D1638-E1642 PolarHBondContact O-N 3.16Å |
| 1639 | W | 85.3 | Confident | 79.1 | Confident | 13.4 Ų | 13.4 | 50 Ų | 50 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 170.7 | 176 | 84.4 | 0 | 0 | 0 | 112.4 | L1527 V1574 L1592 N1593 F1595 A1598 K1635 L1636 R1637 L1641 E1642 L1643 | L1527-W1639 HydrophobicContact CD2-CE3 4.27Å; L1527-W1639 HydrophobicContact CD2-CZ3 3.82Å; V1574-W1639 HydrophobicContact CG1-CH2 4.17Å; L1592-W1639 HydrophobicContact CD2-CH2 4.19Å; L1592-W1639 HydrophobicContact CD2-CZ2 4.18Å; N1593-W1639 PolarHBondContact O-NE1 2.84Å; F1595-W1639 HydrophobicContact CB-CH2 4.09Å; F1595-W1639 HydrophobicContact CB-CZ2 3.55Å; F1595-W1639 HydrophobicContact CD2-CD2 4.31Å; F1595-W1639 AromaticContact CD2-CE3 3.93Å; F1595-W1639 HydrophobicContact CD2-CE3 4.01Å; F1595-W1639 AromaticContact CD2-CH2 3.23Å; F1595-W1639 HydrophobicContact CD2-CH2 3.23Å; F1595-W1639 AromaticContact CD2-CZ2 3.59Å; F1595-W1639 HydrophobicContact CD2-CZ2 3.59Å; F1595-W1639 AromaticContact CD2-CZ3 3.47Å; F1595-W1639 HydrophobicContact CD2-CZ3 3.47Å; F1595-W1639 VanDerWaalsContact CD2-CZ3 3.45Å; F1595-W1639 HydrophobicContact CE2-CE3 4.47Å; F1595-W1639 AromaticContact CE2-CH2 3.96Å; F1595-W1639 HydrophobicContact CE2-CH2 3.97Å; F1595-W1639 AromaticContact CE2-CZ3 3.87Å; F1595-W1639 HydrophobicContact CE2-CZ3 3.92Å; F1595-W1639 AromaticContact CG-CH2 3.92Å; F1595-W1639 HydrophobicContact CG-CH2 3.95Å; F1595-W1639 AromaticContact CG-CZ2 3.94Å; F1595-W1639 HydrophobicContact CG-CZ2 3.94Å; F1595-W1639 HydrophobicContact CG-CZ3 4.47Å; A1598-W1639 HydrophobicContact CB-CB 3.88Å; A1598-W1639 HydrophobicContact CB-CG 4.11Å; K1635-W1639 PolarHBondContact O-N 3.12Å; L1636-W1639 HydrophobicContact CD1-CE3 4.1Å; L1636-W1639 PolarHBondContact O-N 3.1Å; R1637-W1639 VanDerWaalsContact C-N 3.3Å; R1637-W1639 PolarHBondContact O-N 3.16Å; W1639-L1641 VanDerWaalsContact C-N 3.31Å; W1639-L1641 PolarHBondContact O-N 3.17Å; W1639-E1642 WeakPolarHBondContact O-CB 3.43Å; W1639-E1642 PolarHBondContact O-N 3.13Å; W1639-E1642 VanDerWaalsContact O-N 3.12Å; W1639-L1643 HydrophobicContact CH2-CD2 3.55Å; W1639-L1643 VanDerWaalsContact CH2-CD2 3.49Å; W1639-L1643 HydrophobicContact CZ2-CD2 4.07Å; W1639-L1643 HydrophobicContact CZ3-CD2 4.01Å; W1639-L1643 WeakPolarHBondContact O-CB 3.42Å; W1639-L1643 PolarHBondContact O-N 3.18Å |
| 1640 | A | 82.9 | Confident | 79 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1524 L1527 A1528 L1636 R1637 D1638 L1643 D1644 | A1524-A1640 WeakPolarHBondContact CB-O 3.35Å; L1527-A1640 HydrophobicContact CB-CB 4.22Å; L1527-A1640 HydrophobicContact CD2-CB 3.95Å; L1527-A1640 HydrophobicContact CG-CB 4.07Å; A1528-A1640 HydrophobicContact CB-CB 4.04Å; L1636-A1640 WeakPolarHBondContact O-CB 3.37Å; L1636-A1640 PolarHBondContact O-N 3.27Å; R1637-A1640 WeakPolarHBondContact O-CB 3.23Å; R1637-A1640 PolarHBondContact O-N 3.23Å; R1637-A1640 VanDerWaalsContact O-N 3.12Å; D1638-A1640 PolarHBondContact O-N 3.22Å; A1640-L1643 PolarHBondContact O-N 2.8Å; A1640-D1644 PolarHBondContact O-N 2.95Å; A1640-D1644 VanDerWaalsContact O-N 3.13Å |
| 1641 | L | 80.3 | Confident | 79.1 | Confident | 68.8 Ų | 68.8 | 52.3 Ų | 52.3 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.5 | -37 | 173.2 | -68.5 | 173.1 | 0 | 0 | 0 | 112.2 | A1528 R1637 D1638 W1639 D1644 Q1645 | A1528-L1641 HydrophobicContact CB-CD2 4.01Å; A1528-L1641 HydrophobicContact CB-CG 4.19Å; R1637-L1641 HydrophobicContact CG-CD1 4.37Å; R1637-L1641 WeakPolarHBondContact O-CG 3.2Å; R1637-L1641 PolarHBondContact O-N 3.08Å; D1638-L1641 PolarHBondContact O-N 3.01Å; W1639-L1641 VanDerWaalsContact C-N 3.31Å; W1639-L1641 PolarHBondContact O-N 3.17Å; L1641-D1644 PolarHBondContact O-N 3.09Å; L1641-Q1645 WeakPolarHBondContact O-CG 3.38Å; L1641-Q1645 PolarHBondContact O-N 3.24Å; L1641-Q1645 VanDerWaalsContact O-N 3.12Å |
| 1642 | E | 81 | Confident | 78.8 | Confident | 79.4 Ų | 79.4 | 52.1 Ų | 52.1 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 174.1 | -167.8 | -172.9 | 159.7 | 0 | 0 | 111.4 | D1638 W1639 D1644 Q1645 K1646 | D1638-E1642 PolarHBondContact O-N 3.16Å; W1639-E1642 WeakPolarHBondContact O-CB 3.43Å; W1639-E1642 PolarHBondContact O-N 3.13Å; W1639-E1642 VanDerWaalsContact O-N 3.12Å; E1642-D1644 VanDerWaalsContact C-N 3.35Å; E1642-D1644 PolarHBondContact O-N 3Å; E1642-Q1645 PolarHBondContact O-N 3.37Å; E1642-K1646 HydrophobicContact CG-CD 4.37Å; E1642-K1646 WeakPolarHBondContact O-CG 3.29Å; E1642-K1646 PolarHBondContact O-N 3.13Å; E1642-K1646 VanDerWaalsContact OE1-CE 3.22Å; E1642-K1646 WeakPolarHBondContact OE1-CE 3.36Å; E1642-K1646 IonicContact OE1-NZ 3.1Å; E1642-K1646 PolarHBondContact OE1-NZ 3.09Å |
| 1643 | L | 81.5 | Confident | 78.3 | Confident | 2.2 Ų | 2.2 | 58.1 Ų | 58.1 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 174.8 | 176.9 | 62.5 | 0 | 0 | 0 | 111.6 | M1520 A1524 V1574 L1591 W1639 A1640 Q1645 K1646 A1647 | M1520-L1643 HydrophobicContact CE-CD1 3.67Å; M1520-L1643 HydrophobicContact CE-CD2 3.89Å; M1520-L1643 HydrophobicContact CE-CG 4.32Å; M1520-L1643 HydrophobicContact CG-CD1 4.12Å; M1520-L1643 HydrophobicContact CG-CD2 4.14Å; M1520-L1643 HydrophobicContact CG-CG 4.25Å; M1520-L1643 HydrophobicContact SD-CD1 4.21Å; M1520-L1643 HydrophobicContact SD-CD2 3.92Å; A1524-L1643 HydrophobicContact CB-CB 4.31Å; A1524-L1643 HydrophobicContact CB-CD2 3.93Å; A1524-L1643 HydrophobicContact CB-CG 4.06Å; V1574-L1643 HydrophobicContact CG1-CD2 4Å; L1591-L1643 HydrophobicContact CB-CD1 3.95Å; L1591-L1643 WeakPolarHBondContact O-CD1 3.47Å; W1639-L1643 HydrophobicContact CH2-CD2 3.55Å; W1639-L1643 VanDerWaalsContact CH2-CD2 3.49Å; W1639-L1643 HydrophobicContact CZ2-CD2 4.07Å; W1639-L1643 HydrophobicContact CZ3-CD2 4.01Å; W1639-L1643 WeakPolarHBondContact O-CB 3.42Å; W1639-L1643 PolarHBondContact O-N 3.18Å; A1640-L1643 PolarHBondContact O-N 2.8Å; L1643-Q1645 VanDerWaalsContact C-N 3.32Å; L1643-Q1645 PolarHBondContact O-N 3.18Å; L1643-K1646 PolarHBondContact O-N 3.07Å; L1643-A1647 VanDerWaalsContact O-CB 3.3Å; L1643-A1647 WeakPolarHBondContact O-CB 3.41Å; L1643-A1647 PolarHBondContact O-N 3.13Å |
| 1644 | D | 79.4 | Confident | 77.5 | Confident | 26.2 Ų | 26.2 | 59 Ų | 59 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 175.5 | -178.7 | 39.9 | 0 | 0 | 0 | 111.7 | S1521 A1524 K1525 A1640 L1641 E1642 K1646 A1647 M1648 | S1521-D1644 VanDerWaalsContact CB-OD1 3.26Å; S1521-D1644 WeakPolarHBondContact CB-OD1 3.36Å; S1521-D1644 PolarHBondContact OG-OD1 3.14Å; A1524-D1644 HydrophobicContact CB-CB 4.22Å; K1525-D1644 VanDerWaalsContact CE-CG 3.47Å; K1525-D1644 WeakPolarHBondContact CE-OD1 3.39Å; K1525-D1644 WeakPolarHBondContact CE-OD2 3.38Å; K1525-D1644 IonicContact NZ-OD1 2.96Å; A1640-D1644 PolarHBondContact O-N 2.95Å; A1640-D1644 VanDerWaalsContact O-N 3.13Å; L1641-D1644 PolarHBondContact O-N 3.09Å; E1642-D1644 VanDerWaalsContact C-N 3.35Å; E1642-D1644 PolarHBondContact O-N 3Å; D1644-K1646 PolarHBondContact O-N 3.3Å; D1644-A1647 PolarHBondContact O-N 3.04Å; D1644-M1648 WeakPolarHBondContact O-CB 3.41Å; D1644-M1648 VanDerWaalsContact O-CG 3.32Å; D1644-M1648 WeakPolarHBondContact O-CG 3.32Å; D1644-M1648 PolarHBondContact O-N 3.2Å |
| 1645 | Q | 77.8 | Confident | 76.5 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.6 | -46.2 | 177.1 | -70.7 | 175.6 | 10.4 | 0 | 0 | 112.1 | L1641 E1642 L1643 A1647 M1648 L1649 | L1641-Q1645 WeakPolarHBondContact O-CG 3.38Å; L1641-Q1645 PolarHBondContact O-N 3.24Å; L1641-Q1645 VanDerWaalsContact O-N 3.12Å; E1642-Q1645 PolarHBondContact O-N 3.37Å; L1643-Q1645 VanDerWaalsContact C-N 3.32Å; L1643-Q1645 PolarHBondContact O-N 3.18Å; Q1645-A1647 VanDerWaalsContact C-N 3.34Å; Q1645-A1647 PolarHBondContact O-N 2.91Å; Q1645-M1648 PolarHBondContact O-N 3.27Å; Q1645-L1649 WeakPolarHBondContact O-CG 3.34Å; Q1645-L1649 PolarHBondContact O-N 3.27Å |
| 1646 | K | 77.8 | Confident | 75.3 | Confident | 66.8 Ų | 66.8 | 58.4 Ų | 58.4 | 29% | 0.29 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 179 | -71.9 | 174.1 | 173.6 | 167.1 | 0 | 111.8 | L1591 E1642 L1643 D1644 M1648 L1649 S1650 | L1591-K1646 HydrophobicContact CD2-CB 3.6Å; L1591-K1646 HydrophobicContact CD2-CD 4.31Å; L1591-K1646 HydrophobicContact CD2-CG 4.41Å; E1642-K1646 HydrophobicContact CG-CD 4.37Å; E1642-K1646 WeakPolarHBondContact O-CG 3.29Å; E1642-K1646 PolarHBondContact O-N 3.13Å; E1642-K1646 VanDerWaalsContact OE1-CE 3.22Å; E1642-K1646 WeakPolarHBondContact OE1-CE 3.36Å; E1642-K1646 IonicContact OE1-NZ 3.1Å; E1642-K1646 PolarHBondContact OE1-NZ 3.09Å; L1643-K1646 PolarHBondContact O-N 3.07Å; D1644-K1646 PolarHBondContact O-N 3.3Å; K1646-M1648 VanDerWaalsContact C-N 3.33Å; K1646-M1648 PolarHBondContact O-N 3.11Å; K1646-L1649 PolarHBondContact O-N 3.27Å; K1646-S1650 WeakPolarHBondContact O-CB 3.34Å; K1646-S1650 PolarHBondContact O-N 3.14Å; K1646-S1650 PolarHBondContact O-OG 3.28Å; K1646-S1650 VanDerWaalsContact O-OG 3.12Å |
| 1647 | A | 77 | Confident | 74.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1520 L1643 D1644 Q1645 S1650 K1651 | M1520-A1647 HydrophobicContact CB-CB 4.38Å; M1520-A1647 HydrophobicContact CG-CB 4.35Å; L1643-A1647 VanDerWaalsContact O-CB 3.3Å; L1643-A1647 WeakPolarHBondContact O-CB 3.41Å; L1643-A1647 PolarHBondContact O-N 3.13Å; D1644-A1647 PolarHBondContact O-N 3.04Å; Q1645-A1647 VanDerWaalsContact C-N 3.34Å; Q1645-A1647 PolarHBondContact O-N 2.91Å; A1647-S1650 PolarHBondContact O-N 3.13Å; A1647-K1651 WeakPolarHBondContact O-CB 3.3Å; A1647-K1651 PolarHBondContact O-N 3.27Å |
| 1648 | M | 76.1 | Confident | 72.4 | Confident | 67.6 Ų | 67.6 | 66.5 Ų | 66.5 | 33% | 0.333 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 176 | -76.4 | -68.2 | -177.3 | 0 | 0 | 112.7 | S1521 D1644 Q1645 K1646 S1650 K1651 E1652 | S1521-M1648 VanDerWaalsContact OG-CE 3.23Å; S1521-M1648 WeakPolarHBondContact OG-CE 3.37Å; D1644-M1648 WeakPolarHBondContact O-CB 3.41Å; D1644-M1648 VanDerWaalsContact O-CG 3.32Å; D1644-M1648 WeakPolarHBondContact O-CG 3.32Å; D1644-M1648 PolarHBondContact O-N 3.2Å; Q1645-M1648 PolarHBondContact O-N 3.27Å; K1646-M1648 VanDerWaalsContact C-N 3.33Å; K1646-M1648 PolarHBondContact O-N 3.11Å; M1648-S1650 VanDerWaalsContact C-N 3.34Å; M1648-S1650 PolarHBondContact O-N 3.05Å; M1648-K1651 HydrophobicContact CE-CD 4.36Å; M1648-K1651 WeakPolarHBondContact O-CB 3.34Å; M1648-K1651 PolarHBondContact O-N 3.35Å; M1648-K1651 HydrophobicContact SD-CD 4.41Å; M1648-E1652 PolarHBondContact O-N 3.14Å; M1648-E1652 VanDerWaalsContact O-N 3.08Å |
| 1649 | L | 75.2 | Confident | 71 | Confident | 98.4 Ų | 98.4 | 68.6 Ų | 68.6 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.6 | -70 | 171.4 | 0 | 0 | 0 | 112 | Q1645 K1646 K1651 E1652 Q1653 | Q1645-L1649 WeakPolarHBondContact O-CG 3.34Å; Q1645-L1649 PolarHBondContact O-N 3.27Å; K1646-L1649 PolarHBondContact O-N 3.27Å; L1649-K1651 VanDerWaalsContact C-N 3.31Å; L1649-K1651 PolarHBondContact O-N 3.07Å; L1649-E1652 PolarHBondContact O-N 3.24Å; L1649-Q1653 WeakPolarHBondContact O-CG 3.37Å; L1649-Q1653 PolarHBondContact O-N 3.27Å |
| 1650 | S | 73.2 | Confident | 69 | Low | 15.6 Ų | 15.6 | 74.7 Ų | 74.7 | 11% | 0.109 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 176 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | K1646 A1647 M1648 Q1653 A1654 | K1646-S1650 WeakPolarHBondContact O-CB 3.34Å; K1646-S1650 PolarHBondContact O-N 3.14Å; K1646-S1650 PolarHBondContact O-OG 3.28Å; K1646-S1650 VanDerWaalsContact O-OG 3.12Å; A1647-S1650 PolarHBondContact O-N 3.13Å; M1648-S1650 VanDerWaalsContact C-N 3.34Å; M1648-S1650 PolarHBondContact O-N 3.05Å; S1650-Q1653 PolarHBondContact O-N 3.36Å; S1650-A1654 WeakPolarHBondContact O-CB 3.41Å; S1650-A1654 PolarHBondContact O-N 3.19Å |
| 1651 | K | 72.9 | Confident | 66.9 | Low | 43 Ų | 43 | 82.1 Ų | 82.1 | 19% | 0.187 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 172.1 | 179.7 | 175.8 | 174.3 | 172.4 | 0 | 111.4 | V1514 Y1517 E1518 A1647 M1648 L1649 A1654 F1655 | V1514-K1651 HydrophobicContact CG1-CD 4.47Å; V1514-K1651 HydrophobicContact CG1-CG 4.19Å; Y1517-K1651 HydrophobicContact CD2-CB 4.45Å; E1518-K1651 VanDerWaalsContact CD-NZ 3.35Å; E1518-K1651 IonicContact OE1-NZ 3.36Å; E1518-K1651 IonicContact OE2-NZ 3.33Å; E1518-K1651 PolarHBondContact OE2-NZ 3.17Å; A1647-K1651 WeakPolarHBondContact O-CB 3.3Å; A1647-K1651 PolarHBondContact O-N 3.27Å; M1648-K1651 HydrophobicContact CE-CD 4.36Å; M1648-K1651 WeakPolarHBondContact O-CB 3.34Å; M1648-K1651 PolarHBondContact O-N 3.35Å; M1648-K1651 HydrophobicContact SD-CD 4.41Å; L1649-K1651 VanDerWaalsContact C-N 3.31Å; L1649-K1651 PolarHBondContact O-N 3.07Å; K1651-A1654 PolarHBondContact O-N 3.11Å; K1651-F1655 HydrophobicContact CG-CD2 4.11Å; K1651-F1655 HydrophobicContact CG-CE2 4.34Å; K1651-F1655 WeakPolarHBondContact O-CD2 3.29Å; K1651-F1655 PolarHBondContact O-N 3.15Å; K1651-F1655 VanDerWaalsContact O-N 3.11Å |
| 1652 | E | 69.6 | Low | 64.8 | Low | 117.8 Ų | 117.8 | 81.9 Ų | 81.9 | 55% | 0.55 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 177.9 | -72 | 176.7 | 177.2 | 0 | 0 | 112.2 | M1648 L1649 A1654 F1655 S1656 | M1648-E1652 PolarHBondContact O-N 3.14Å; M1648-E1652 VanDerWaalsContact O-N 3.08Å; L1649-E1652 PolarHBondContact O-N 3.24Å; E1652-A1654 VanDerWaalsContact C-N 3.34Å; E1652-A1654 PolarHBondContact O-N 3.09Å; E1652-F1655 WeakPolarHBondContact O-CB 3.39Å; E1652-F1655 PolarHBondContact O-N 3.18Å; E1652-F1655 VanDerWaalsContact O-N 3.11Å; E1652-S1656 WeakPolarHBondContact O-CB 3.34Å; E1652-S1656 PolarHBondContact O-N 3.05Å; E1652-S1656 PolarHBondContact O-OG 2.9Å |
| 1653 | Q | 67.8 | Low | 62.6 | Low | 138.4 Ų | 138.4 | 84.1 Ų | 84.1 | 65% | 0.647 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | 176.1 | -72.3 | 176.1 | -1.7 | 0 | 0 | 112.3 | L1649 S1650 F1655 S1656 S1657 | L1649-Q1653 WeakPolarHBondContact O-CG 3.37Å; L1649-Q1653 PolarHBondContact O-N 3.27Å; S1650-Q1653 PolarHBondContact O-N 3.36Å; Q1653-F1655 VanDerWaalsContact C-N 3.3Å; Q1653-F1655 PolarHBondContact O-N 3.19Å; Q1653-S1656 PolarHBondContact O-N 3.07Å; Q1653-S1657 PolarHBondContact O-N 3.32Å; Q1653-S1657 VanDerWaalsContact O-N 3.12Å |
| 1654 | A | 63.1 | Low | 60.3 | Low | 19 Ų | 19 | 92.7 Ų | 92.7 | 16% | 0.157 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.7 | -25.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1513 V1514 Y1517 S1650 K1651 E1652 S1657 | L1513-A1654 HydrophobicContact CD2-CB 4.36Å; V1514-A1654 HydrophobicContact CG2-CB 4.28Å; Y1517-A1654 HydrophobicContact CE2-CB 4.34Å; S1650-A1654 WeakPolarHBondContact O-CB 3.41Å; S1650-A1654 PolarHBondContact O-N 3.19Å; K1651-A1654 PolarHBondContact O-N 3.11Å; E1652-A1654 VanDerWaalsContact C-N 3.34Å; E1652-A1654 PolarHBondContact O-N 3.09Å; A1654-S1657 PolarHBondContact O-OG 3.15Å |
| 1655 | F | 58.7 | Low | 58.1 | Low | 114 Ų | 114 | 99.7 Ų | 99.7 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75 | -41 | 172 | -117.5 | -80.6 | 0 | 0 | 0 | 111.7 | V1514 K1651 E1652 Q1653 S1657 R1658 I1659 | V1514-F1655 HydrophobicContact CG1-CD2 4.13Å; V1514-F1655 HydrophobicContact CG1-CE2 3.48Å; V1514-F1655 VanDerWaalsContact CG1-CE2 3.41Å; V1514-F1655 HydrophobicContact CG1-CZ 4.2Å; V1514-F1655 HydrophobicContact CG2-CD2 4.33Å; V1514-F1655 HydrophobicContact CG2-CE2 4.31Å; K1651-F1655 HydrophobicContact CG-CD2 4.11Å; K1651-F1655 HydrophobicContact CG-CE2 4.34Å; K1651-F1655 WeakPolarHBondContact O-CD2 3.29Å; K1651-F1655 PolarHBondContact O-N 3.15Å; K1651-F1655 VanDerWaalsContact O-N 3.11Å; E1652-F1655 WeakPolarHBondContact O-CB 3.39Å; E1652-F1655 PolarHBondContact O-N 3.18Å; E1652-F1655 VanDerWaalsContact O-N 3.11Å; Q1653-F1655 VanDerWaalsContact C-N 3.3Å; Q1653-F1655 PolarHBondContact O-N 3.19Å; F1655-S1657 VanDerWaalsContact C-N 3.35Å; F1655-S1657 PolarHBondContact O-N 2.85Å; F1655-R1658 WeakPolarHBondContact O-CB 3.31Å; F1655-R1658 PolarHBondContact O-N 3.24Å; F1655-I1659 HydrophobicContact CD1-CD1 4.24Å; F1655-I1659 HydrophobicContact CE1-CD1 4.38Å |
| 1656 | S | 56.1 | Low | 55.9 | Low | 78.8 Ų | 78.8 | 100.9 Ų | 100.9 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.9 | -39 | -180 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | E1652 Q1653 R1658 I1659 | E1652-S1656 WeakPolarHBondContact O-CB 3.34Å; E1652-S1656 PolarHBondContact O-N 3.05Å; E1652-S1656 PolarHBondContact O-OG 2.9Å; Q1653-S1656 PolarHBondContact O-N 3.07Å; S1656-R1658 VanDerWaalsContact C-N 3.29Å; S1656-R1658 PolarHBondContact O-N 3Å; S1656-R1658 VanDerWaalsContact O-N 3.16Å; S1656-I1659 PolarHBondContact O-N 3.16Å; S1656-I1659 VanDerWaalsContact O-N 3.1Å |
| 1657 | S | 55.8 | Low | 53.7 | Low | 72.2 Ų | 72.2 | 104.5 Ų | 104.5 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -20.7 | 178.4 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | Q1653 A1654 F1655 I1659 D1660 | Q1653-S1657 PolarHBondContact O-N 3.32Å; Q1653-S1657 VanDerWaalsContact O-N 3.12Å; A1654-S1657 PolarHBondContact O-OG 3.15Å; F1655-S1657 VanDerWaalsContact C-N 3.35Å; F1655-S1657 PolarHBondContact O-N 2.85Å; S1657-I1659 VanDerWaalsContact C-N 3.32Å; S1657-D1660 PolarHBondContact O-N 3.47Å |
| 1658 | R | 49.5 | Very low | 51.7 | Low | 170.6 Ų | 170.6 | 111.8 Ų | 111.8 | 64% | 0.644 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -80.4 | -16.8 | 175.8 | -86.5 | -172.3 | -168.6 | -171.4 | 0.6 | 113.9 | F1655 S1656 D1660 | F1655-R1658 WeakPolarHBondContact O-CB 3.31Å; F1655-R1658 PolarHBondContact O-N 3.24Å; S1656-R1658 VanDerWaalsContact C-N 3.29Å; S1656-R1658 PolarHBondContact O-N 3Å; S1656-R1658 VanDerWaalsContact O-N 3.16Å; R1658-D1660 VanDerWaalsContact C-N 3.31Å |
| 1659 | I | 49 | Very low | 49.6 | Very low | 126.4 Ų | 126.4 | 115.9 Ų | 115.9 | 65% | 0.648 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -86.9 | -26.9 | -178.9 | -63.8 | 175.7 | 0 | 0 | 0 | 110.8 | F1655 S1656 S1657 G1662 | F1655-I1659 HydrophobicContact CD1-CD1 4.24Å; F1655-I1659 HydrophobicContact CE1-CD1 4.38Å; S1656-I1659 PolarHBondContact O-N 3.16Å; S1656-I1659 VanDerWaalsContact O-N 3.1Å; S1657-I1659 VanDerWaalsContact C-N 3.32Å; I1659-G1662 PolarHBondContact O-N 3.28Å |
| 1660 | D | 43.9 | Very low | 47.5 | Very low | 141.6 Ų | 141.6 | 118.4 Ų | 118.4 | 76% | 0.757 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.4 | -25.2 | -177.8 | -117.2 | -0.8 | 0 | 0 | 0 | 114.1 | S1657 R1658 G1662 | S1657-D1660 PolarHBondContact O-N 3.47Å; R1658-D1660 VanDerWaalsContact C-N 3.31Å; D1660-G1662 VanDerWaalsContact C-N 3.27Å; D1660-G1662 PolarHBondContact O-N 3.15Å; D1660-G1662 VanDerWaalsContact O-N 3.07Å |
| 1661 | D | 39.3 | Very low | 45.5 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 83% | 0.834 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 8.4 | 178.8 | -80.6 | -21.4 | 0 | 0 | 0 | 114.1 | ||
| 1662 | G | 36 | Very low | 43.7 | Very low | 64.2 Ų | 64.2 | 125.8 Ų | 125.8 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 0.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | I1659 D1660 | I1659-G1662 PolarHBondContact O-N 3.28Å; D1660-G1662 VanDerWaalsContact C-N 3.27Å; D1660-G1662 PolarHBondContact O-N 3.15Å; D1660-G1662 VanDerWaalsContact O-N 3.07Å |
| 1663 | V | 35.7 | Very low | 41.8 | Very low | 125.8 Ų | 125.8 | 129.1 Ų | 129.1 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -130.7 | 61 | -172.3 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1664 | E | 32.5 | Very low | 40.1 | Very low | 181.8 Ų | 181.8 | 130 Ų | 130 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | trans | -145.5 | 117.2 | 155.1 | -85.3 | -174.3 | 176.8 | 0 | 0 | 110.3 | ||||
| 1665 | Q | 32.1 | Very low | 38.7 | Very low | 172.8 Ų | 172.8 | 134.2 Ų | 134.2 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | trans | 113.1 | 108 | 153.6 | -83.8 | 175.4 | -1.4 | 0 | 0 | 112.6 | ||||
| 1666 | N | 32.7 | Very low | 37.5 | Very low | 148.4 Ų | 148.4 | 135.7 Ų | 135.7 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | 144.6 | 109.4 | 122 | -73.1 | -18.9 | 0 | 0 | 0 | 112.3 | |||||
| 1667 | D | 32 | Very low | 36.4 | Very low | 141.4 Ų | 141.4 | 138.6 Ų | 138.6 | 76% | 0.756 | 75% | 0.752 | S | S | * | * | trans | -20.4 | 138.5 | 130.7 | -66.6 | -40.3 | 0 | 0 | 0 | 114.3 | D1669 | D1667-D1669 PolarHBondContact O-N 3.4Š| ||
| 1668 | D | 33.5 | Very low | 35.5 | Very low | 153.2 Ų | 153.2 | 140.9 Ų | 140.9 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | trans | 113.3 | 107.7 | 149.6 | -66 | -28.6 | 0 | 0 | 0 | 115.6 | ||||
| 1669 | D | 32.8 | Very low | 35 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | 103.7 | 124.2 | 130.9 | -102 | -12.2 | 0 | 0 | 0 | 118.2 | D1667 S1671 | D1667-D1669 PolarHBondContact O-N 3.4Å; D1669-S1671 PolarHBondContact O-N 2.95Å | ||
| 1670 | D | 31.1 | Very low | 34.7 | Very low | 150.2 Ų | 150.2 | 139 Ų | 139 | 80% | 0.803 | 76% | 0.757 | S | S | * | * | trans | -28.4 | 117.8 | 149.8 | -111.2 | -18.4 | 0 | 0 | 0 | 115.2 | S1672 | D1670-S1672 PolarHBondContact O-N 3.21Š| ||
| 1671 | S | 32.4 | Very low | 34.8 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 168.9 | 109.3 | 139.7 | 25.4 | 0 | 0 | 0 | 0 | 114.7 | D1669 | D1669-S1671 PolarHBondContact O-N 2.95Š| ||
| 1672 | S | 34.6 | Very low | 35.3 | Very low | 106.4 Ų | 106.4 | 134.1 Ų | 134.1 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | trans | 140.4 | 94 | 137.6 | 61.1 | 0 | 0 | 0 | 0 | 115 | D1670 I1674 | D1670-S1672 PolarHBondContact O-N 3.21Å; S1672-I1674 PolarHBondContact O-N 3.12Å | ||
| 1673 | Q | 29.6 | Very low | 35.9 | Very low | 187.4 Ų | 187.4 | 137.6 Ų | 137.6 | 88% | 0.876 | 73% | 0.73 | S | S | * | * | trans | -33.4 | 102 | 145.2 | -73.4 | 171.9 | -14.7 | 0 | 0 | 113.5 | I1676 | Q1673-I1676 HydrophobicContact CG-CD1 4.26Š| ||
| 1674 | I | 32.4 | Very low | 36.7 | Very low | 155.8 Ų | 155.8 | 136.8 Ų | 136.8 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | trans | -157 | 75.1 | 148.3 | -73.2 | 161.9 | 0 | 0 | 0 | 107.8 | S1672 I1676 | S1672-I1674 PolarHBondContact O-N 3.12Å; I1674-I1676 PolarHBondContact O-N 2.99Å | ||
| 1675 | T | 32.5 | Very low | 37.7 | Very low | 108.6 Ų | 108.6 | 131.4 Ų | 131.4 | 67% | 0.666 | 70% | 0.696 | S | S | * | * | trans | 170.8 | 73.4 | 151.9 | -22.4 | 0 | 0 | 0 | 0 | 113.5 | N1677 N1678 Y1679 | T1675-N1677 PolarHBondContact O-N 2.89Å; T1675-N1678 PolarHBondContact O-N 2.96Å; T1675-Y1679 HydrophobicContact CG2-CD2 3.52Å; T1675-Y1679 HydrophobicContact CG2-CE2 3.43Å; T1675-Y1679 VanDerWaalsContact CG2-CE2 3.43Å; T1675-Y1679 WeakPolarHBondContact O-CD2 3.41Å; T1675-Y1679 PolarHBondContact O-N 3.15Å | ||
| 1676 | I | 34.3 | Very low | 39 | Very low | 144.2 Ų | 144.2 | 125.9 Ų | 125.9 | 74% | 0.739 | 68% | 0.68 | S | S | * | * | trans | -94.6 | 70.6 | 144.6 | -62 | 172.2 | 0 | 0 | 0 | 110.4 | Q1673 I1674 S1680 | Q1673-I1676 HydrophobicContact CG-CD1 4.26Å; I1674-I1676 PolarHBondContact O-N 2.99Å; I1676-S1680 PolarHBondContact O-N 3.23Å | ||
| 1677 | N | 32.9 | Very low | 40.4 | Very low | 139.8 Ų | 139.8 | 125.1 Ų | 125.1 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -116.8 | 14.3 | 161.7 | -90.8 | -2.8 | 0 | 0 | 0 | 114.2 | T1675 S1680 N1681 | T1675-N1677 PolarHBondContact O-N 2.89Å; N1677-S1680 PolarHBondContact O-OG 2.93Å; N1677-S1680 VanDerWaalsContact O-OG 3.13Å; N1677-N1681 VanDerWaalsContact O-CG 3.26Å; N1677-N1681 PolarHBondContact O-N 3.39Å; N1677-N1681 PolarHBondContact O-ND2 3.35Å |
| 1678 | N | 37.5 | Very low | 42 | Very low | 121.8 Ų | 121.8 | 120.7 Ų | 120.7 | 65% | 0.651 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -113.2 | 0.4 | 172 | -84.2 | -4.6 | 0 | 0 | 0 | 113.6 | T1675 N1681 N1682 | T1675-N1678 PolarHBondContact O-N 2.96Å; N1678-N1681 PolarHBondContact O-N 3.37Å; N1678-N1682 VanDerWaalsContact O-CB 3.29Å; N1678-N1682 WeakPolarHBondContact O-CB 3.41Å; N1678-N1682 PolarHBondContact O-N 2.88Å; N1678-N1682 PolarHBondContact O-ND2 3.48Å; N1678-N1682 PolarHBondContact O-OD1 3.07Å |
| 1679 | Y | 39.1 | Very low | 43.7 | Very low | 181.2 Ų | 181.2 | 115.9 Ų | 115.9 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.5 | -10.2 | 178.9 | -91.2 | -83.2 | 0 | 0 | 0 | 115.4 | T1675 N1681 N1682 E1683 | T1675-Y1679 HydrophobicContact CG2-CD2 3.52Å; T1675-Y1679 HydrophobicContact CG2-CE2 3.43Å; T1675-Y1679 VanDerWaalsContact CG2-CE2 3.43Å; T1675-Y1679 WeakPolarHBondContact O-CD2 3.41Å; T1675-Y1679 PolarHBondContact O-N 3.15Å; Y1679-N1681 VanDerWaalsContact C-N 3.3Å; Y1679-N1681 PolarHBondContact O-N 3.26Å; Y1679-N1681 VanDerWaalsContact O-N 3.1Å; Y1679-N1682 VanDerWaalsContact CB-ND2 3.28Å; Y1679-N1682 WeakPolarHBondContact CB-ND2 3.11Å; Y1679-N1682 WeakPolarHBondContact CB-OD1 3.49Å; Y1679-N1682 WeakPolarHBondContact O-CB 3.34Å; Y1679-N1682 PolarHBondContact O-N 3.1Å; Y1679-N1682 VanDerWaalsContact O-N 3.12Å; Y1679-E1683 PolarHBondContact O-N 3.32Å |
| 1680 | S | 42.8 | Very low | 45.5 | Very low | 76 Ų | 76 | 114.8 Ų | 114.8 | 53% | 0.531 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.6 | -17.9 | 174.9 | 63.4 | 0 | 0 | 0 | 0 | 114.2 | I1676 N1677 N1684 | I1676-S1680 PolarHBondContact O-N 3.23Å; N1677-S1680 PolarHBondContact O-OG 2.93Å; N1677-S1680 VanDerWaalsContact O-OG 3.13Å; S1680-N1684 WeakPolarHBondContact O-CB 3.45Å; S1680-N1684 PolarHBondContact O-N 3.2Å; S1680-N1684 PolarHBondContact O-ND2 3.05Å; S1680-N1684 VanDerWaalsContact O-ND2 3.16Å |
| 1681 | N | 45.4 | Very low | 47.5 | Very low | 102.6 Ų | 102.6 | 109.9 Ų | 109.9 | 55% | 0.549 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -80.5 | -33 | 176.1 | -71.7 | -11.3 | 0 | 0 | 0 | 111.9 | N1677 N1678 Y1679 E1683 N1684 E1685 | N1677-N1681 VanDerWaalsContact O-CG 3.26Å; N1677-N1681 PolarHBondContact O-N 3.39Å; N1677-N1681 PolarHBondContact O-ND2 3.35Å; N1678-N1681 PolarHBondContact O-N 3.37Å; Y1679-N1681 VanDerWaalsContact C-N 3.3Å; Y1679-N1681 PolarHBondContact O-N 3.26Å; Y1679-N1681 VanDerWaalsContact O-N 3.1Å; N1681-E1683 PolarHBondContact O-N 3.35Å; N1681-N1684 PolarHBondContact O-N 3.43Å; N1681-E1685 VanDerWaalsContact O-CB 3.29Å; N1681-E1685 WeakPolarHBondContact O-CB 3.4Å; N1681-E1685 PolarHBondContact O-N 3.01Å |
| 1682 | N | 49.7 | Very low | 49.6 | Very low | 91.4 Ų | 91.4 | 105.1 Ų | 105.1 | 49% | 0.489 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.9 | -33 | -178.6 | -71.7 | 3.7 | 0 | 0 | 0 | 112.9 | N1678 Y1679 N1684 E1685 A1686 | N1678-N1682 VanDerWaalsContact O-CB 3.29Å; N1678-N1682 WeakPolarHBondContact O-CB 3.41Å; N1678-N1682 PolarHBondContact O-N 2.88Å; N1678-N1682 PolarHBondContact O-ND2 3.48Å; N1678-N1682 PolarHBondContact O-OD1 3.07Å; Y1679-N1682 VanDerWaalsContact CB-ND2 3.28Å; Y1679-N1682 WeakPolarHBondContact CB-ND2 3.11Å; Y1679-N1682 WeakPolarHBondContact CB-OD1 3.49Å; Y1679-N1682 WeakPolarHBondContact O-CB 3.34Å; Y1679-N1682 PolarHBondContact O-N 3.1Å; Y1679-N1682 VanDerWaalsContact O-N 3.12Å; N1682-N1684 VanDerWaalsContact C-N 3.34Å; N1682-N1684 PolarHBondContact O-N 3.45Å; N1682-E1685 PolarHBondContact O-N 3.01Å; N1682-A1686 VanDerWaalsContact O-CB 3.27Å; N1682-A1686 WeakPolarHBondContact O-CB 3.37Å; N1682-A1686 PolarHBondContact O-N 3.25Å |
| 1683 | E | 48.9 | Very low | 51.6 | Low | 138.2 Ų | 138.2 | 104.9 Ų | 104.9 | 65% | 0.646 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 175.9 | -79.3 | -169.3 | 172.1 | 0 | 0 | 112.3 | Y1679 N1681 E1685 K1687 | Y1679-E1683 PolarHBondContact O-N 3.32Å; N1681-E1683 PolarHBondContact O-N 3.35Å; E1683-E1685 VanDerWaalsContact C-N 3.34Å; E1683-K1687 VanDerWaalsContact O-CB 3.24Å; E1683-K1687 WeakPolarHBondContact O-CB 3.43Å; E1683-K1687 VanDerWaalsContact O-CG 3.31Å; E1683-K1687 WeakPolarHBondContact O-CG 3.38Å; E1683-K1687 PolarHBondContact O-N 3.24Å; E1683-K1687 VanDerWaalsContact O-N 3.07Å; E1683-K1687 IonicContact OE2-NZ 3.31Å; E1683-K1687 PolarHBondContact OE2-NZ 2.99Å; E1683-K1687 VanDerWaalsContact OE2-NZ 3.12Å |
| 1684 | N | 51.5 | Low | 53.8 | Low | 107.6 Ų | 107.6 | 100 Ų | 100 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.8 | -37.8 | 177.4 | -72.4 | -37.6 | 0 | 0 | 0 | 111.3 | S1680 N1681 N1682 K1687 L1688 | S1680-N1684 WeakPolarHBondContact O-CB 3.45Å; S1680-N1684 PolarHBondContact O-N 3.2Å; S1680-N1684 PolarHBondContact O-ND2 3.05Å; S1680-N1684 VanDerWaalsContact O-ND2 3.16Å; N1681-N1684 PolarHBondContact O-N 3.43Å; N1682-N1684 VanDerWaalsContact C-N 3.34Å; N1682-N1684 PolarHBondContact O-N 3.45Å; N1684-K1687 PolarHBondContact O-N 3.08Å; N1684-L1688 VanDerWaalsContact O-CB 3.26Å; N1684-L1688 WeakPolarHBondContact O-CB 3.38Å; N1684-L1688 PolarHBondContact O-N 3.14Å |
| 1685 | E | 54.3 | Low | 56 | Low | 69 Ų | 69 | 92.7 Ų | 92.7 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 176 | -168.9 | 173.1 | -173.8 | 0 | 0 | 112.1 | N1681 N1682 E1683 L1688 T1689 L2001 | N1681-E1685 VanDerWaalsContact O-CB 3.29Å; N1681-E1685 WeakPolarHBondContact O-CB 3.4Å; N1681-E1685 PolarHBondContact O-N 3.01Å; N1682-E1685 PolarHBondContact O-N 3.01Å; E1683-E1685 VanDerWaalsContact C-N 3.34Å; E1685-L1688 PolarHBondContact O-N 3.18Å; E1685-T1689 VanDerWaalsContact O-CB 3.29Å; E1685-T1689 WeakPolarHBondContact O-CB 3.38Å; E1685-T1689 WeakPolarHBondContact O-CG2 3.35Å; E1685-T1689 PolarHBondContact O-N 3.05Å; E1685-T1689 PolarHBondContact O-OG1 3.22Å; E1685-L2001 HydrophobicContact CB-CD1 4.49Å; E1685-L2001 HydrophobicContact CG-CD1 4.18Å |
| 1686 | A | 59.5 | Low | 58.2 | Low | 57.4 Ų | 57.4 | 91.6 Ų | 91.6 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1682 L1688 T1689 E1690 | N1682-A1686 VanDerWaalsContact O-CB 3.27Å; N1682-A1686 WeakPolarHBondContact O-CB 3.37Å; N1682-A1686 PolarHBondContact O-N 3.25Å; A1686-L1688 VanDerWaalsContact C-N 3.32Å; A1686-L1688 PolarHBondContact O-N 3.08Å; A1686-T1689 VanDerWaalsContact CA-OG1 3.32Å; A1686-T1689 WeakPolarHBondContact CA-OG1 3.38Å; A1686-T1689 PolarHBondContact O-N 3.16Å; A1686-T1689 PolarHBondContact O-OG1 3.34Å; A1686-E1690 VanDerWaalsContact O-CB 3.28Å; A1686-E1690 WeakPolarHBondContact O-CB 3.39Å; A1686-E1690 PolarHBondContact O-N 3.2Å |
| 1687 | K | 62.4 | Low | 60.3 | Low | 132.8 Ų | 132.8 | 88.2 Ų | 88.2 | 58% | 0.577 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 177 | -132 | 171.9 | -175.6 | 168.4 | 0 | 112.2 | E1683 N1684 E1690 T1691 | E1683-K1687 VanDerWaalsContact O-CB 3.24Å; E1683-K1687 WeakPolarHBondContact O-CB 3.43Å; E1683-K1687 VanDerWaalsContact O-CG 3.31Å; E1683-K1687 WeakPolarHBondContact O-CG 3.38Å; E1683-K1687 PolarHBondContact O-N 3.24Å; E1683-K1687 VanDerWaalsContact O-N 3.07Å; E1683-K1687 IonicContact OE2-NZ 3.31Å; E1683-K1687 PolarHBondContact OE2-NZ 2.99Å; E1683-K1687 VanDerWaalsContact OE2-NZ 3.12Å; N1684-K1687 PolarHBondContact O-N 3.08Å; K1687-E1690 PolarHBondContact O-N 3.19Å; K1687-T1691 VanDerWaalsContact O-CG2 3.28Å; K1687-T1691 WeakPolarHBondContact O-CG2 3.4Å; K1687-T1691 PolarHBondContact O-N 3.12Å; K1687-T1691 VanDerWaalsContact O-N 3.1Å; K1687-T1691 PolarHBondContact O-OG1 3.25Å |
| 1688 | L | 64.5 | Low | 62.6 | Low | 48.4 Ų | 48.4 | 83.1 Ų | 83.1 | 25% | 0.253 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 178.8 | -153.4 | 101 | 0 | 0 | 0 | 111.1 | N1684 E1685 A1686 E1690 T1691 F1692 N1772 I1997 | N1684-L1688 VanDerWaalsContact O-CB 3.26Å; N1684-L1688 WeakPolarHBondContact O-CB 3.38Å; N1684-L1688 PolarHBondContact O-N 3.14Å; E1685-L1688 PolarHBondContact O-N 3.18Å; A1686-L1688 VanDerWaalsContact C-N 3.32Å; A1686-L1688 PolarHBondContact O-N 3.08Å; L1688-E1690 VanDerWaalsContact C-N 3.34Å; L1688-E1690 PolarHBondContact O-N 3.15Å; L1688-T1691 WeakPolarHBondContact CA-OG1 3.31Å; L1688-T1691 PolarHBondContact O-N 3.19Å; L1688-T1691 PolarHBondContact O-OG1 3.16Å; L1688-F1692 HydrophobicContact CD1-CD2 4.3Å; L1688-F1692 HydrophobicContact CD1-CE2 3.6Å; L1688-F1692 HydrophobicContact CD1-CZ 4.01Å; L1688-F1692 HydrophobicContact CD2-CD2 4.16Å; L1688-F1692 HydrophobicContact CD2-CE2 3.58Å; L1688-F1692 HydrophobicContact CD2-CZ 4.23Å; L1688-F1692 HydrophobicContact CG-CD2 4.1Å; L1688-F1692 HydrophobicContact CG-CE2 3.86Å; L1688-F1692 VanDerWaalsContact CG-CE2 3.44Å; L1688-F1692 HydrophobicContact CG-CZ 4.32Å; L1688-F1692 VanDerWaalsContact O-CD2 3.26Å; L1688-F1692 WeakPolarHBondContact O-CD2 3.33Å; L1688-F1692 PolarHBondContact O-N 3.08Å; L1688-F1692 VanDerWaalsContact O-N 3.11Å; L1688-N1772 HydrophobicContact CD1-CB 4.11Å; L1688-I1997 HydrophobicContact CD2-CB 4.46Å; L1688-I1997 HydrophobicContact CD2-CD1 3.94Å; L1688-I1997 HydrophobicContact CD2-CG2 3.76Å |
| 1689 | T | 69.6 | Low | 64.7 | Low | 52.8 Ų | 52.8 | 77.3 Ų | 77.3 | 32% | 0.324 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.2 | 7.7 | 0 | 0 | 0 | 0 | 111.7 | E1685 A1686 T1691 F1692 M1693 | E1685-T1689 VanDerWaalsContact O-CB 3.29Å; E1685-T1689 WeakPolarHBondContact O-CB 3.38Å; E1685-T1689 WeakPolarHBondContact O-CG2 3.35Å; E1685-T1689 PolarHBondContact O-N 3.05Å; E1685-T1689 PolarHBondContact O-OG1 3.22Å; A1686-T1689 VanDerWaalsContact CA-OG1 3.32Å; A1686-T1689 WeakPolarHBondContact CA-OG1 3.38Å; A1686-T1689 PolarHBondContact O-N 3.16Å; A1686-T1689 PolarHBondContact O-OG1 3.34Å; T1689-T1691 VanDerWaalsContact C-N 3.31Å; T1689-T1691 PolarHBondContact O-N 3.12Å; T1689-F1692 PolarHBondContact O-N 3.16Å; T1689-M1693 HydrophobicContact CG2-CE 4.2Å; T1689-M1693 WeakPolarHBondContact O-CB 3.4Å; T1689-M1693 VanDerWaalsContact O-CG 3.23Å; T1689-M1693 WeakPolarHBondContact O-CG 3.43Å; T1689-M1693 PolarHBondContact O-N 3.26Å |
| 1690 | E | 70.5 | Confident | 66.6 | Low | 130.4 Ų | 130.4 | 71 Ų | 71 | 61% | 0.609 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 174.1 | -170.9 | -178.2 | -173 | 0 | 0 | 111.9 | A1686 K1687 L1688 F1692 M1693 H1694 | A1686-E1690 VanDerWaalsContact O-CB 3.28Å; A1686-E1690 WeakPolarHBondContact O-CB 3.39Å; A1686-E1690 PolarHBondContact O-N 3.2Å; K1687-E1690 PolarHBondContact O-N 3.19Å; L1688-E1690 VanDerWaalsContact C-N 3.34Å; L1688-E1690 PolarHBondContact O-N 3.15Å; E1690-F1692 VanDerWaalsContact C-N 3.33Å; E1690-F1692 PolarHBondContact O-N 3.24Å; E1690-M1693 PolarHBondContact O-N 3.22Å; E1690-H1694 WeakPolarHBondContact O-CB 3.34Å; E1690-H1694 PolarHBondContact O-N 3.16Å |
| 1691 | T | 73 | Confident | 68.2 | Low | 48 Ų | 48 | 70.4 Ų | 70.4 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | K1687 L1688 T1689 H1694 M1695 A1774 | K1687-T1691 VanDerWaalsContact O-CG2 3.28Å; K1687-T1691 WeakPolarHBondContact O-CG2 3.4Å; K1687-T1691 PolarHBondContact O-N 3.12Å; K1687-T1691 VanDerWaalsContact O-N 3.1Å; K1687-T1691 PolarHBondContact O-OG1 3.25Å; L1688-T1691 WeakPolarHBondContact CA-OG1 3.31Å; L1688-T1691 PolarHBondContact O-N 3.19Å; L1688-T1691 PolarHBondContact O-OG1 3.16Å; T1689-T1691 VanDerWaalsContact C-N 3.31Å; T1689-T1691 PolarHBondContact O-N 3.12Å; T1691-H1694 PolarHBondContact O-N 3.23Å; T1691-M1695 WeakPolarHBondContact O-CE 3.46Å; T1691-M1695 WeakPolarHBondContact O-CG 3.4Å; T1691-M1695 PolarHBondContact O-N 2.98Å; T1691-A1774 HydrophobicContact CG2-CB 4.47Å |
| 1692 | F | 76.6 | Confident | 69.8 | Low | 8.2 Ų | 8.2 | 65.9 Ų | 65.9 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 176.1 | -73.8 | -58.6 | 0 | 0 | 0 | 112.6 | L1688 T1689 E1690 H1694 M1695 R1696 I1769 N1772 I1990 H1993 C1994 I1997 | L1688-F1692 HydrophobicContact CD1-CD2 4.3Å; L1688-F1692 HydrophobicContact CD1-CE2 3.6Å; L1688-F1692 HydrophobicContact CD1-CZ 4.01Å; L1688-F1692 HydrophobicContact CD2-CD2 4.16Å; L1688-F1692 HydrophobicContact CD2-CE2 3.58Å; L1688-F1692 HydrophobicContact CD2-CZ 4.23Å; L1688-F1692 HydrophobicContact CG-CD2 4.1Å; L1688-F1692 HydrophobicContact CG-CE2 3.86Å; L1688-F1692 VanDerWaalsContact CG-CE2 3.44Å; L1688-F1692 HydrophobicContact CG-CZ 4.32Å; L1688-F1692 VanDerWaalsContact O-CD2 3.26Å; L1688-F1692 WeakPolarHBondContact O-CD2 3.33Å; L1688-F1692 PolarHBondContact O-N 3.08Å; L1688-F1692 VanDerWaalsContact O-N 3.11Å; T1689-F1692 PolarHBondContact O-N 3.16Å; E1690-F1692 VanDerWaalsContact C-N 3.33Å; E1690-F1692 PolarHBondContact O-N 3.24Å; F1692-H1694 VanDerWaalsContact C-N 3.28Å; F1692-H1694 PolarHBondContact O-N 3.1Å; F1692-M1695 HydrophobicContact CB-CE 4.46Å; F1692-M1695 HydrophobicContact CD1-CE 3.36Å; F1692-M1695 VanDerWaalsContact CD1-CE 3.41Å; F1692-M1695 HydrophobicContact CD1-SD 4.05Å; F1692-M1695 HydrophobicContact CE1-CE 3.7Å; F1692-M1695 HydrophobicContact CE1-SD 4.4Å; F1692-M1695 HydrophobicContact CG-CE 4.15Å; F1692-M1695 WeakPolarHBondContact O-CB 3.39Å; F1692-M1695 PolarHBondContact O-N 3.33Å; F1692-R1696 WeakPolarHBondContact O-CB 3.26Å; F1692-R1696 PolarHBondContact O-N 3.24Å; F1692-I1769 HydrophobicContact CE1-CG2 4.34Å; F1692-N1772 WeakPolarHBondContact CZ-OD1 3.32Å; F1692-I1990 HydrophobicContact CB-CG2 4.25Å; F1692-I1990 HydrophobicContact CD1-CG2 3.89Å; F1692-I1990 HydrophobicContact CG-CG2 4.39Å; F1692-H1993 AromaticContact CE1-CD2 3.93Å; F1692-H1993 AromaticContact CZ-CD2 3.75Å; F1692-H1993 AromaticContact CZ-ND1 3.51Å; F1692-C1994 HydrophobicContact CD2-CB 4.19Å; F1692-C1994 HydrophobicContact CE2-CB 4.31Å; F1692-C1994 HydrophobicContact CG-CB 4.37Å; F1692-I1997 HydrophobicContact CE2-CD1 3.91Å; F1692-I1997 HydrophobicContact CZ-CD1 3.86Å |
| 1693 | M | 76.4 | Confident | 71.4 | Confident | 101.8 Ų | 101.8 | 63 Ų | 63 | 50% | 0.501 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 172.1 | -87.1 | -162.4 | 52.6 | 0 | 0 | 110.9 | T1689 E1690 M1695 R1696 N1697 | T1689-M1693 HydrophobicContact CG2-CE 4.2Å; T1689-M1693 WeakPolarHBondContact O-CB 3.4Å; T1689-M1693 VanDerWaalsContact O-CG 3.23Å; T1689-M1693 WeakPolarHBondContact O-CG 3.43Å; T1689-M1693 PolarHBondContact O-N 3.26Å; E1690-M1693 PolarHBondContact O-N 3.22Å; M1693-M1695 VanDerWaalsContact C-N 3.34Å; M1693-M1695 PolarHBondContact O-N 3.23Å; M1693-R1696 WeakPolarHBondContact O-CB 3.36Å; M1693-R1696 PolarHBondContact O-N 3.25Å; M1693-R1696 VanDerWaalsContact O-N 3.15Å; M1693-N1697 WeakPolarHBondContact O-CB 3.33Å; M1693-N1697 VanDerWaalsContact O-CG 3.23Å; M1693-N1697 PolarHBondContact O-N 3.1Å; M1693-N1697 PolarHBondContact O-ND2 3.08Å; M1693-N1697 PolarHBondContact O-OD1 3.17Å |
| 1694 | H | 75.9 | Confident | 72.6 | Confident | 84.4 Ų | 84.4 | 61.7 Ų | 61.7 | 39% | 0.391 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.1 | -173.7 | -102 | 0 | 0 | 0 | 112.6 | E1690 T1691 F1692 R1696 N1697 Q1698 I1778 | E1690-H1694 WeakPolarHBondContact O-CB 3.34Å; E1690-H1694 PolarHBondContact O-N 3.16Å; T1691-H1694 PolarHBondContact O-N 3.23Å; F1692-H1694 VanDerWaalsContact C-N 3.28Å; F1692-H1694 PolarHBondContact O-N 3.1Å; H1694-R1696 VanDerWaalsContact C-N 3.33Å; H1694-R1696 PolarHBondContact O-N 3.2Å; H1694-N1697 PolarHBondContact O-N 3.2Å; H1694-Q1698 PolarHBondContact NE2-NE2 3.24Å; H1694-Q1698 VanDerWaalsContact O-CG 3.28Å; H1694-Q1698 WeakPolarHBondContact O-CG 3.39Å; H1694-Q1698 PolarHBondContact O-N 3.15Å; H1694-Q1698 VanDerWaalsContact O-N 3.1Å; H1694-I1778 VanDerWaalsContact CE1-CD1 3.4Å; H1694-I1778 WeakPolarHBondContact CE1-CD1 3.31Å; H1694-I1778 WeakPolarHBondContact ND1-CD1 3.32Å |
| 1695 | M | 78.4 | Confident | 73.6 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 173.8 | -71.3 | -174.3 | -117.4 | 0 | 0 | 112 | T1691 F1692 M1693 N1697 Q1698 C1699 A1774 F1777 I1778 I1990 | T1691-M1695 WeakPolarHBondContact O-CE 3.46Å; T1691-M1695 WeakPolarHBondContact O-CG 3.4Å; T1691-M1695 PolarHBondContact O-N 2.98Å; F1692-M1695 HydrophobicContact CB-CE 4.46Å; F1692-M1695 HydrophobicContact CD1-CE 3.36Å; F1692-M1695 VanDerWaalsContact CD1-CE 3.41Å; F1692-M1695 HydrophobicContact CD1-SD 4.05Å; F1692-M1695 HydrophobicContact CE1-CE 3.7Å; F1692-M1695 HydrophobicContact CE1-SD 4.4Å; F1692-M1695 HydrophobicContact CG-CE 4.15Å; F1692-M1695 WeakPolarHBondContact O-CB 3.39Å; F1692-M1695 PolarHBondContact O-N 3.33Å; M1693-M1695 VanDerWaalsContact C-N 3.34Å; M1693-M1695 PolarHBondContact O-N 3.23Å; M1695-N1697 PolarHBondContact O-N 2.86Å; M1695-Q1698 PolarHBondContact O-N 2.97Å; M1695-C1699 PolarHBondContact O-N 3.07Å; M1695-C1699 VanDerWaalsContact O-N 3.14Å; M1695-C1699 PolarHBondContact O-SG 3.08Å; M1695-A1774 HydrophobicContact CE-CB 3.85Å; M1695-A1774 VanDerWaalsContact CE-N 3.34Å; M1695-A1774 HydrophobicContact CG-CB 4.08Å; M1695-A1774 VanDerWaalsContact SD-CA 3.52Å; M1695-A1774 HydrophobicContact SD-CB 3.81Å; M1695-F1777 HydrophobicContact CB-CD1 3.82Å; M1695-F1777 HydrophobicContact CB-CE1 3.83Å; M1695-F1777 HydrophobicContact CB-CG 4.47Å; M1695-F1777 HydrophobicContact CB-CZ 4.47Å; M1695-F1777 HydrophobicContact CE-CB 4.38Å; M1695-F1777 HydrophobicContact CG-CB 4.41Å; M1695-F1777 HydrophobicContact CG-CD1 3.65Å; M1695-F1777 HydrophobicContact CG-CE1 4.2Å; M1695-F1777 HydrophobicContact CG-CG 4.25Å; M1695-F1777 HydrophobicContact SD-CB 4.07Å; M1695-F1777 HydrophobicContact SD-CD1 3.86Å; M1695-F1777 HydrophobicContact SD-CE1 4.43Å; M1695-F1777 HydrophobicContact SD-CG 3.97Å; M1695-I1778 HydrophobicContact CG-CD1 4.25Å; M1695-I1778 HydrophobicContact CG-CG1 4.14Å; M1695-I1990 HydrophobicContact CB-CD1 3.81Å; M1695-I1990 HydrophobicContact SD-CD1 4.46Å; M1695-I1990 HydrophobicContact SD-CG1 4.46Å |
| 1696 | R | 79.4 | Confident | 74.7 | Confident | 85.6 Ų | 85.6 | 59.4 Ų | 59.4 | 32% | 0.323 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 178.2 | -178.2 | 177.2 | 180 | 120.9 | 1.2 | 112.2 | F1692 M1693 H1694 Q1698 C1699 D1700 R1987 D1991 | F1692-R1696 WeakPolarHBondContact O-CB 3.26Å; F1692-R1696 PolarHBondContact O-N 3.24Å; M1693-R1696 WeakPolarHBondContact O-CB 3.36Å; M1693-R1696 PolarHBondContact O-N 3.25Å; M1693-R1696 VanDerWaalsContact O-N 3.15Å; H1694-R1696 VanDerWaalsContact C-N 3.33Å; H1694-R1696 PolarHBondContact O-N 3.2Å; R1696-Q1698 VanDerWaalsContact C-N 3.26Å; R1696-Q1698 PolarHBondContact O-N 3.13Å; R1696-C1699 WeakPolarHBondContact O-CA 3.44Å; R1696-C1699 VanDerWaalsContact O-CB 3.28Å; R1696-C1699 WeakPolarHBondContact O-CB 3.39Å; R1696-C1699 PolarHBondContact O-N 3.22Å; R1696-D1700 PolarHBondContact O-N 3.15Å; R1696-R1987 HydrophobicContact CG-CG 4.33Å; R1696-D1991 IonicContact CZ-OD1 3.28Å; R1696-D1991 IonicContact CZ-OD2 3.26Å; R1696-D1991 IonicContact NH1-OD1 2.7Å; R1696-D1991 PolarHBondContact NH1-OD1 3.18Å; R1696-D1991 IonicContact NH1-OD2 2.83Å; R1696-D1991 PolarHBondContact NH1-OD2 3.17Å; R1696-D1991 IonicContact NH2-OD2 3.47Å |
| 1697 | N | 78.9 | Confident | 75.4 | Confident | 72.8 Ų | 72.8 | 60.7 Ų | 60.7 | 39% | 0.389 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 179.4 | -70 | -18.3 | 0 | 0 | 0 | 111.6 | M1693 H1694 M1695 C1699 D1700 V1701 | M1693-N1697 WeakPolarHBondContact O-CB 3.33Å; M1693-N1697 VanDerWaalsContact O-CG 3.23Å; M1693-N1697 PolarHBondContact O-N 3.1Å; M1693-N1697 PolarHBondContact O-ND2 3.08Å; M1693-N1697 PolarHBondContact O-OD1 3.17Å; H1694-N1697 PolarHBondContact O-N 3.2Å; M1695-N1697 PolarHBondContact O-N 2.86Å; N1697-C1699 VanDerWaalsContact C-N 3.35Å; N1697-D1700 PolarHBondContact O-N 3.17Å; N1697-V1701 VanDerWaalsContact O-CG2 3.29Å; N1697-V1701 WeakPolarHBondContact O-CG2 3.42Å; N1697-V1701 PolarHBondContact O-N 3.04Å |
| 1698 | Q | 80.2 | Confident | 75.6 | Confident | 32.2 Ų | 32.2 | 57.5 Ų | 57.5 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 174.6 | -67.9 | -67.1 | -37.3 | 0 | 0 | 112.3 | H1694 M1695 R1696 L1702 I1778 | H1694-Q1698 PolarHBondContact NE2-NE2 3.24Å; H1694-Q1698 VanDerWaalsContact O-CG 3.28Å; H1694-Q1698 WeakPolarHBondContact O-CG 3.39Å; H1694-Q1698 PolarHBondContact O-N 3.15Å; H1694-Q1698 VanDerWaalsContact O-N 3.1Å; M1695-Q1698 PolarHBondContact O-N 2.97Å; R1696-Q1698 VanDerWaalsContact C-N 3.26Å; R1696-Q1698 PolarHBondContact O-N 3.13Å; Q1698-L1702 WeakPolarHBondContact O-CB 3.34Å; Q1698-L1702 WeakPolarHBondContact O-CD1 3.21Å; Q1698-L1702 VanDerWaalsContact O-CG 3.22Å; Q1698-L1702 WeakPolarHBondContact O-CG 3.37Å; Q1698-L1702 PolarHBondContact O-N 3.06Å; Q1698-L1702 VanDerWaalsContact O-N 3.09Å; Q1698-I1778 HydrophobicContact CB-CG1 4.45Å; Q1698-I1778 HydrophobicContact CB-CG2 4.39Å; Q1698-I1778 HydrophobicContact CG-CD1 4.36Å; Q1698-I1778 HydrophobicContact CG-CG1 4.25Å; Q1698-I1778 HydrophobicContact CG-CG2 4.2Å |
| 1699 | C | 81.3 | Confident | 75.7 | Confident | 0.2 Ų | 0.2 | 57.5 Ų | 57.5 | 0% | 0.001 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 171 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | M1695 R1696 N1697 V1701 L1702 L1703 F1777 I1983 R1987 | M1695-C1699 PolarHBondContact O-N 3.07Å; M1695-C1699 VanDerWaalsContact O-N 3.14Å; M1695-C1699 PolarHBondContact O-SG 3.08Å; R1696-C1699 WeakPolarHBondContact O-CA 3.44Å; R1696-C1699 VanDerWaalsContact O-CB 3.28Å; R1696-C1699 WeakPolarHBondContact O-CB 3.39Å; R1696-C1699 PolarHBondContact O-N 3.22Å; N1697-C1699 VanDerWaalsContact C-N 3.35Å; C1699-V1701 PolarHBondContact O-N 3.09Å; C1699-L1702 PolarHBondContact O-N 3.25Å; C1699-L1702 VanDerWaalsContact O-N 3.13Å; C1699-L1703 WeakPolarHBondContact O-CB 3.37Å; C1699-L1703 VanDerWaalsContact O-CG 3.28Å; C1699-L1703 WeakPolarHBondContact O-CG 3.38Å; C1699-L1703 PolarHBondContact O-N 3.12Å; C1699-F1777 VanDerWaalsContact SG-CZ 3.54Å; C1699-I1983 HydrophobicContact CB-CG2 3.88Å; C1699-R1987 HydrophobicContact CB-CB 4.45Å |
| 1700 | D | 79.2 | Confident | 75.5 | Confident | 49.8 Ų | 49.8 | 55.3 Ų | 55.3 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | -178.6 | -67.8 | -29.7 | 0 | 0 | 0 | 112.2 | R1696 N1697 L1702 L1703 H1704 R1987 | R1696-D1700 PolarHBondContact O-N 3.15Å; N1697-D1700 PolarHBondContact O-N 3.17Å; D1700-L1702 VanDerWaalsContact C-N 3.31Å; D1700-L1702 PolarHBondContact O-N 3.23Å; D1700-L1703 PolarHBondContact O-N 3.13Å; D1700-H1704 WeakPolarHBondContact O-CB 3.41Å; D1700-H1704 PolarHBondContact O-N 3.29Å; D1700-H1704 VanDerWaalsContact O-N 3.13Å; D1700-R1987 WeakPolarHBondContact OD1-CD 3.28Å; D1700-R1987 IonicContact OD1-CZ 3.21Å; D1700-R1987 IonicContact OD1-NE 3.35Å; D1700-R1987 IonicContact OD1-NH1 3.58Å; D1700-R1987 PolarHBondContact OD1-NH1 3.02Å |
| 1701 | V | 77.6 | Confident | 75 | Confident | 63.2 Ų | 63.2 | 53 Ų | 53 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 172.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | N1697 C1699 H1704 R1705 | N1697-V1701 VanDerWaalsContact O-CG2 3.29Å; N1697-V1701 WeakPolarHBondContact O-CG2 3.42Å; N1697-V1701 PolarHBondContact O-N 3.04Å; C1699-V1701 PolarHBondContact O-N 3.09Å; V1701-H1704 PolarHBondContact O-N 3.18Å; V1701-R1705 WeakPolarHBondContact O-CG 3.42Å; V1701-R1705 PolarHBondContact O-N 3.32Å; V1701-R1705 VanDerWaalsContact O-N 3.11Å |
| 1702 | L | 78.7 | Confident | 74 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.8 | -38.5 | -177.4 | -84.6 | 175 | 0 | 0 | 0 | 112.5 | Q1698 C1699 D1700 H1704 R1705 L1706 V1781 K1782 A1785 I1983 | Q1698-L1702 WeakPolarHBondContact O-CB 3.34Å; Q1698-L1702 WeakPolarHBondContact O-CD1 3.21Å; Q1698-L1702 VanDerWaalsContact O-CG 3.22Å; Q1698-L1702 WeakPolarHBondContact O-CG 3.37Å; Q1698-L1702 PolarHBondContact O-N 3.06Å; Q1698-L1702 VanDerWaalsContact O-N 3.09Å; C1699-L1702 PolarHBondContact O-N 3.25Å; C1699-L1702 VanDerWaalsContact O-N 3.13Å; D1700-L1702 VanDerWaalsContact C-N 3.31Å; D1700-L1702 PolarHBondContact O-N 3.23Å; L1702-H1704 VanDerWaalsContact C-N 3.32Å; L1702-H1704 PolarHBondContact O-N 3.24Å; L1702-R1705 CarbonylContact O-C 3.54Å; L1702-R1705 VanDerWaalsContact O-CA 3.29Å; L1702-R1705 WeakPolarHBondContact O-CA 3.46Å; L1702-R1705 WeakPolarHBondContact O-CB 3.38Å; L1702-R1705 PolarHBondContact O-N 3.04Å; L1702-R1705 VanDerWaalsContact O-N 3.11Å; L1702-L1706 HydrophobicContact CD2-CD1 3.28Å; L1702-L1706 HydrophobicContact CD2-CG 3.6Å; L1702-L1706 WeakPolarHBondContact O-CB 3.48Å; L1702-L1706 WeakPolarHBondContact O-CG 3.28Å; L1702-L1706 PolarHBondContact O-N 3.28Å; L1702-V1781 HydrophobicContact CB-CG1 4.39Å; L1702-V1781 VanDerWaalsContact CD1-C 3.42Å; L1702-V1781 HydrophobicContact CD1-CB 4.22Å; L1702-V1781 HydrophobicContact CD1-CG1 3.42Å; L1702-V1781 VanDerWaalsContact CD1-CG1 3.47Å; L1702-V1781 WeakPolarHBondContact CD1-O 3.33Å; L1702-V1781 HydrophobicContact CG-CG1 4.32Å; L1702-K1782 HydrophobicContact CD1-CB 4.49Å; L1702-K1782 HydrophobicContact CD1-CG 3.95Å; L1702-K1782 HydrophobicContact CD2-CG 4.45Å; L1702-A1785 HydrophobicContact CB-CB 4.39Å; L1702-A1785 HydrophobicContact CD1-CB 3.99Å; L1702-A1785 HydrophobicContact CD2-CB 3.73Å; L1702-A1785 HydrophobicContact CG-CB 4.23Å; L1702-I1983 HydrophobicContact CB-CD1 4.14Å; L1702-I1983 HydrophobicContact CD1-CD1 4.04Å; L1702-I1983 HydrophobicContact CD2-CD1 3.08Å; L1702-I1983 HydrophobicContact CD2-CG1 4.38Å; L1702-I1983 HydrophobicContact CD2-CG2 4.4Å; L1702-I1983 HydrophobicContact CG-CD1 4.12Å |
| 1703 | L | 81.9 | Confident | 72.2 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 172.3 | -75.4 | 170.9 | 0 | 0 | 0 | 110.3 | C1699 D1700 R1705 L1706 D1707 A1980 I1983 D1984 | C1699-L1703 WeakPolarHBondContact O-CB 3.37Å; C1699-L1703 VanDerWaalsContact O-CG 3.28Å; C1699-L1703 WeakPolarHBondContact O-CG 3.38Å; C1699-L1703 PolarHBondContact O-N 3.12Å; D1700-L1703 PolarHBondContact O-N 3.13Å; L1703-R1705 VanDerWaalsContact C-N 3.29Å; L1703-R1705 PolarHBondContact O-N 3.21Å; L1703-L1706 PolarHBondContact O-N 3.06Å; L1703-D1707 VanDerWaalsContact O-CB 3.29Å; L1703-D1707 WeakPolarHBondContact O-CB 3.4Å; L1703-D1707 PolarHBondContact O-N 3.26Å; L1703-A1980 HydrophobicContact CD2-CB 4.18Å; L1703-A1980 VanDerWaalsContact CD2-O 3.22Å; L1703-A1980 WeakPolarHBondContact CD2-O 3.43Å; L1703-I1983 HydrophobicContact CD1-CG2 4.4Å; L1703-I1983 HydrophobicContact CD2-CB 4.02Å; L1703-I1983 HydrophobicContact CD2-CG2 3.99Å; L1703-I1983 HydrophobicContact CG-CB 4.41Å; L1703-I1983 HydrophobicContact CG-CG2 3.86Å; L1703-D1984 WeakPolarHBondContact CD1-OD1 3.01Å |
| 1704 | H | 74.8 | Confident | 70.2 | Confident | 110.8 Ų | 110.8 | 57.1 Ų | 57.1 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 174.7 | -144 | -70.3 | 0 | 0 | 0 | 112.8 | Y1497 L1499 D1700 V1701 L1702 D1707 S1708 | Y1497-H1704 AromaticContact CD1-CE1 3.56Å; Y1497-H1704 AromaticContact CD1-NE2 3.13Å; Y1497-H1704 WeakPolarHBondContact CD1-NE2 3.4Å; Y1497-H1704 AromaticContact CE1-CE1 3.82Å; Y1497-H1704 AromaticContact CE1-NE2 3.67Å; Y1497-H1704 AromaticContact CG-NE2 3.5Å; L1499-H1704 WeakPolarHBondContact CD1-CE1 3.39Å; D1700-H1704 WeakPolarHBondContact O-CB 3.41Å; D1700-H1704 PolarHBondContact O-N 3.29Å; D1700-H1704 VanDerWaalsContact O-N 3.13Å; V1701-H1704 PolarHBondContact O-N 3.18Å; L1702-H1704 VanDerWaalsContact C-N 3.32Å; L1702-H1704 PolarHBondContact O-N 3.24Å; H1704-D1707 PolarHBondContact O-N 3.48Å; H1704-S1708 PolarHBondContact O-N 3.38Å; H1704-S1708 VanDerWaalsContact O-N 3.17Å; H1704-S1708 PolarHBondContact O-OG 3.12Å |
| 1705 | R | 73.5 | Confident | 68 | Low | 126.8 Ų | 126.8 | 61.8 Ų | 61.8 | 48% | 0.478 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.4 | -105.9 | 174.7 | 150.4 | -179 | 0.3 | 112 | V1701 L1702 L1703 S1708 L1709 | V1701-R1705 WeakPolarHBondContact O-CG 3.42Å; V1701-R1705 PolarHBondContact O-N 3.32Å; V1701-R1705 VanDerWaalsContact O-N 3.11Å; L1702-R1705 CarbonylContact O-C 3.54Å; L1702-R1705 VanDerWaalsContact O-CA 3.29Å; L1702-R1705 WeakPolarHBondContact O-CA 3.46Å; L1702-R1705 WeakPolarHBondContact O-CB 3.38Å; L1702-R1705 PolarHBondContact O-N 3.04Å; L1702-R1705 VanDerWaalsContact O-N 3.11Å; L1703-R1705 VanDerWaalsContact C-N 3.29Å; L1703-R1705 PolarHBondContact O-N 3.21Å; R1705-S1708 WeakPolarHBondContact O-CB 3.5Å; R1705-S1708 PolarHBondContact O-N 3.21Å; R1705-S1708 PolarHBondContact O-OG 2.9Å; R1705-L1709 PolarHBondContact O-N 2.97Å |
| 1706 | L | 75.8 | Confident | 65.7 | Low | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.7 | -37.9 | 177.7 | -72.5 | 178.1 | 0 | 0 | 0 | 112.1 | L1702 L1703 S1708 L1709 I1710 A1785 T1788 I1979 A1980 I1983 | L1702-L1706 HydrophobicContact CD2-CD1 3.28Å; L1702-L1706 HydrophobicContact CD2-CG 3.6Å; L1702-L1706 WeakPolarHBondContact O-CB 3.48Å; L1702-L1706 WeakPolarHBondContact O-CG 3.28Å; L1702-L1706 PolarHBondContact O-N 3.28Å; L1703-L1706 PolarHBondContact O-N 3.06Å; L1706-S1708 VanDerWaalsContact C-N 3.26Å; L1706-S1708 PolarHBondContact O-N 3.21Å; L1706-L1709 HydrophobicContact CD2-CD1 4.2Å; L1706-L1709 CarbonylContact O-C 3.52Å; L1706-L1709 WeakPolarHBondContact O-CA 3.36Å; L1706-L1709 WeakPolarHBondContact O-CB 3.37Å; L1706-L1709 PolarHBondContact O-N 3.14Å; L1706-I1710 HydrophobicContact CB-CD1 4.43Å; L1706-I1710 VanDerWaalsContact O-CG1 3.29Å; L1706-I1710 WeakPolarHBondContact O-CG1 3.37Å; L1706-I1710 PolarHBondContact O-N 3.02Å; L1706-A1785 HydrophobicContact CD1-CB 4.33Å; L1706-A1785 HydrophobicContact CD2-CB 4.44Å; L1706-A1785 HydrophobicContact CG-CB 4.44Å; L1706-T1788 HydrophobicContact CD2-CG2 3.57Å; L1706-T1788 VanDerWaalsContact CD2-CG2 3.4Å; L1706-I1979 HydrophobicContact CD1-CB 4.39Å; L1706-I1979 HydrophobicContact CD1-CG2 3.93Å; L1706-A1980 HydrophobicContact CB-CB 4.5Å; L1706-A1980 HydrophobicContact CD1-CB 4.26Å; L1706-I1983 HydrophobicContact CD1-CD1 3.7Å |
| 1707 | D | 73.8 | Confident | 63.3 | Low | 85.8 Ų | 85.8 | 72.9 Ų | 72.9 | 46% | 0.459 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.1 | -39 | 177.3 | -151 | 30.7 | 0 | 0 | 0 | 111.1 | L1703 H1704 L1709 I1710 H1711 | L1703-D1707 VanDerWaalsContact O-CB 3.29Å; L1703-D1707 WeakPolarHBondContact O-CB 3.4Å; L1703-D1707 PolarHBondContact O-N 3.26Å; H1704-D1707 PolarHBondContact O-N 3.48Å; D1707-L1709 VanDerWaalsContact C-N 3.25Å; D1707-L1709 PolarHBondContact O-N 3.12Å; D1707-I1710 PolarHBondContact O-N 3.08Å; D1707-H1711 PolarHBondContact O-N 3.18Å; D1707-H1711 IonicContact OD1-CD2 3.36Å; D1707-H1711 PolarHBondContact OD1-CD2 2.97Å |
| 1708 | S | 68 | Low | 61 | Low | 65.8 Ų | 65.8 | 76.5 Ų | 76.5 | 46% | 0.46 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -26 | 173.6 | 64.6 | 0 | 0 | 0 | 0 | 114 | L1499 H1704 R1705 L1706 | L1499-S1708 WeakPolarHBondContact CD2-OG 3.33Å; H1704-S1708 PolarHBondContact O-N 3.38Å; H1704-S1708 VanDerWaalsContact O-N 3.17Å; H1704-S1708 PolarHBondContact O-OG 3.12Å; R1705-S1708 WeakPolarHBondContact O-CB 3.5Å; R1705-S1708 PolarHBondContact O-N 3.21Å; R1705-S1708 PolarHBondContact O-OG 2.9Å; L1706-S1708 VanDerWaalsContact C-N 3.26Å; L1706-S1708 PolarHBondContact O-N 3.21Å |
| 1709 | L | 65.1 | Low | 58.6 | Low | 48.2 Ų | 48.2 | 85.6 Ų | 85.6 | 25% | 0.252 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -88.4 | -32.8 | 177.3 | -65.9 | 168.1 | 0 | 0 | 0 | 112.5 | R1705 L1706 D1707 P1712 N1789 | R1705-L1709 PolarHBondContact O-N 2.97Å; L1706-L1709 HydrophobicContact CD2-CD1 4.2Å; L1706-L1709 CarbonylContact O-C 3.52Å; L1706-L1709 WeakPolarHBondContact O-CA 3.36Å; L1706-L1709 WeakPolarHBondContact O-CB 3.37Å; L1706-L1709 PolarHBondContact O-N 3.14Å; D1707-L1709 VanDerWaalsContact C-N 3.25Å; D1707-L1709 PolarHBondContact O-N 3.12Å; L1709-P1712 WeakPolarHBondContact O-CD 3.36Å; L1709-N1789 HydrophobicContact CD1-CB 4.42Å; L1709-N1789 VanDerWaalsContact CD1-CG 3.47Å; L1709-N1789 WeakPolarHBondContact CD1-OD1 3.33Å; L1709-N1789 WeakPolarHBondContact CD2-OD1 3.43Å |
| 1710 | I | 65.6 | Low | 56.3 | Low | 6.4 Ų | 6.4 | 88.7 Ų | 88.7 | 3% | 0.033 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -75.3 | -38.4 | 179.4 | -65.7 | 164 | 0 | 0 | 0 | 110.5 | L1706 D1707 P1712 Q1973 A1976 K1977 A1980 | L1706-I1710 HydrophobicContact CB-CD1 4.43Å; L1706-I1710 VanDerWaalsContact O-CG1 3.29Å; L1706-I1710 WeakPolarHBondContact O-CG1 3.37Å; L1706-I1710 PolarHBondContact O-N 3.02Å; D1707-I1710 PolarHBondContact O-N 3.08Å; I1710-P1712 VanDerWaalsContact C-CD 3.47Å; I1710-P1712 VanDerWaalsContact O-CD 3.27Å; I1710-P1712 WeakPolarHBondContact O-CD 3.39Å; I1710-Q1973 HydrophobicContact CG2-CG 4.01Å; I1710-Q1973 PolarHBondContact O-NE2 3.11Å; I1710-A1976 HydrophobicContact CD1-CB 4.37Å; I1710-A1976 HydrophobicContact CG1-CB 3.79Å; I1710-K1977 HydrophobicContact CD1-CG 3.98Å; I1710-K1977 HydrophobicContact CG1-CG 4.22Å; I1710-K1977 HydrophobicContact CG2-CD 4.17Å; I1710-K1977 VanDerWaalsContact CG2-CE 3.4Å; I1710-K1977 HydrophobicContact CG2-CG 3.65Å; I1710-K1977 VanDerWaalsContact CG2-CG 3.49Å; I1710-A1980 HydrophobicContact CD1-CB 3.98Å |
| 1711 | H | 60.7 | Low | 54 | Low | 82.2 Ų | 82.2 | 95.4 Ų | 95.4 | 38% | 0.381 | 49% | 0.485 | S | S | . | . | trans | -121.5 | 68.8 | -176.5 | -66.7 | -68.4 | 0 | 0 | 0 | 111.9 | D1707 N1713 V1714 | D1707-H1711 PolarHBondContact O-N 3.18Å; D1707-H1711 IonicContact OD1-CD2 3.36Å; D1707-H1711 PolarHBondContact OD1-CD2 2.97Å; H1711-N1713 PolarHBondContact O-N 3.01Å; H1711-V1714 HydrophobicContact CB-CB 4.18Å; H1711-V1714 HydrophobicContact CB-CG2 4.07Å; H1711-V1714 WeakPolarHBondContact ND1-CG2 3.42Å | ||
| 1712 | P | 51.4 | Low | 51.8 | Low | 61 Ų | 61 | 97.9 Ų | 97.9 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -1.3 | 175.4 | 16.6 | -19.8 | 0 | 0 | 0 | 112.2 | L1709 I1710 | L1709-P1712 WeakPolarHBondContact O-CD 3.36Å; I1710-P1712 VanDerWaalsContact C-CD 3.47Å; I1710-P1712 VanDerWaalsContact O-CD 3.27Å; I1710-P1712 WeakPolarHBondContact O-CD 3.39Å |
| 1713 | N | 39.6 | Very low | 49.4 | Very low | 87.2 Ų | 87.2 | 103.2 Ų | 103.2 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.2 | 38.9 | -173.4 | -77.3 | -18.4 | 0 | 0 | 0 | 115.9 | H1711 T1731 C1733 | H1711-N1713 PolarHBondContact O-N 3.01Å; N1713-T1731 PolarHBondContact ND2-O 3.1Å; N1713-C1733 PolarHBondContact ND2-SG 3.35Å |
| 1714 | V | 34 | Very low | 47.2 | Very low | 96.6 Ų | 96.6 | 110.5 Ų | 110.5 | 59% | 0.585 | 58% | 0.576 | S | S | * | * | trans | -111.6 | 58.9 | 168.2 | -174.4 | 0 | 0 | 0 | 0 | 111 | H1711 N1716 | H1711-V1714 HydrophobicContact CB-CB 4.18Å; H1711-V1714 HydrophobicContact CB-CG2 4.07Å; H1711-V1714 WeakPolarHBondContact ND1-CG2 3.42Å; V1714-N1716 VanDerWaalsContact C-N 3.34Å; V1714-N1716 HydrophobicContact CG1-CB 3.53Å; V1714-N1716 VanDerWaalsContact CG1-CG 3.42Å; V1714-N1716 WeakPolarHBondContact CG1-ND2 3.5Å; V1714-N1716 PolarHBondContact O-N 3.13Å; V1714-N1716 VanDerWaalsContact O-N 3.07Å | ||
| 1715 | Y | 30.2 | Very low | 45.1 | Very low | 183 Ų | 183 | 111.7 Ų | 111.7 | 72% | 0.718 | 59% | 0.591 | S | S | * | * | trans | -83.6 | 55.7 | 163.7 | -100.7 | -84.9 | 0 | 0 | 0 | 110.1 | Y1497 L1499 E1717 | Y1497-Y1715 PolarHBondContact O-OH 2.78Å; L1499-Y1715 HydrophobicContact CB-CD2 4.3Å; L1499-Y1715 HydrophobicContact CB-CE2 4Å; Y1715-E1717 PolarHBondContact O-N 2.88Å | ||
| 1716 | N | 29.7 | Very low | 43.2 | Very low | 143.6 Ų | 143.6 | 110.1 Ų | 110.1 | 77% | 0.768 | 61% | 0.605 | S | S | * | * | trans | -111.4 | 96.5 | 163.2 | -80.7 | -26.7 | 0 | 0 | 0 | 108.8 | V1714 D1718 | V1714-N1716 VanDerWaalsContact C-N 3.34Å; V1714-N1716 HydrophobicContact CG1-CB 3.53Å; V1714-N1716 VanDerWaalsContact CG1-CG 3.42Å; V1714-N1716 WeakPolarHBondContact CG1-ND2 3.5Å; V1714-N1716 PolarHBondContact O-N 3.13Å; V1714-N1716 VanDerWaalsContact O-N 3.07Å; N1716-D1718 PolarHBondContact O-N 3.27Å; N1716-D1718 VanDerWaalsContact O-N 3.08Å | ||
| 1717 | E | 28.9 | Very low | 41.3 | Very low | 176.8 Ų | 176.8 | 117.9 Ų | 117.9 | 83% | 0.826 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -141.2 | 105.6 | 156.8 | -86.1 | -173 | 172.3 | 0 | 0 | 111.8 | Y1715 K1719 | Y1715-E1717 PolarHBondContact O-N 2.88Å; E1717-K1719 PolarHBondContact O-N 2.91Å; E1717-K1719 VanDerWaalsContact O-N 3.09Å |
| 1718 | D | 31.3 | Very low | 39.2 | Very low | 147.6 Ų | 147.6 | 124.7 Ų | 124.7 | 79% | 0.789 | 67% | 0.666 | S | S | * | * | trans | -17.9 | 98 | 167.8 | -77.2 | -23.2 | 0 | 0 | 0 | 114.6 | N1716 G1720 | N1716-D1718 PolarHBondContact O-N 3.27Å; N1716-D1718 VanDerWaalsContact O-N 3.08Å; D1718-G1720 PolarHBondContact O-N 3.2Å | ||
| 1719 | K | 30.5 | Very low | 37.7 | Very low | 224 Ų | 224 | 128.1 Ų | 128.1 | 97% | 0.974 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 62 | 159 | -79.6 | -171.9 | 175.2 | -179.8 | 0 | 110.8 | E1717 | E1717-K1719 PolarHBondContact O-N 2.91Å; E1717-K1719 VanDerWaalsContact O-N 3.09Å |
| 1720 | G | 31.2 | Very low | 36.6 | Very low | 65.2 Ų | 65.2 | 129.4 Ų | 129.4 | 67% | 0.672 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.4 | -11.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | D1718 | D1718-G1720 PolarHBondContact O-N 3.2Š|
| 1721 | K | 31.3 | Very low | 35.7 | Very low | 190.6 Ų | 190.6 | 134.1 Ų | 134.1 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -134.2 | 119.6 | -177.6 | -71.3 | -179.7 | -177.4 | 167.2 | 0 | 112.9 | S1723 | K1721-S1723 PolarHBondContact O-N 3.22Š|
| 1722 | S | 31.5 | Very low | 35.5 | Very low | 114.6 Ų | 114.6 | 132.1 Ų | 132.1 | 80% | 0.801 | 71% | 0.712 | S | S | * | * | trans | -15 | 117.1 | 170.7 | 49.8 | 0 | 0 | 0 | 0 | 116.2 | E1724 | S1722-E1724 VanDerWaalsContact C-N 3.28Å; S1722-E1724 PolarHBondContact O-N 3.05Å; S1722-E1724 VanDerWaalsContact O-N 3.15Å | ||
| 1723 | S | 29.5 | Very low | 35.9 | Very low | 118.2 Ų | 118.2 | 132.3 Ų | 132.3 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -43.3 | 75.1 | 166.5 | -177.1 | 0 | 0 | 0 | 0 | 116.2 | K1721 | K1721-S1723 PolarHBondContact O-N 3.22Š|
| 1724 | E | 33.9 | Very low | 36.9 | Very low | 185.8 Ų | 185.8 | 130.5 Ų | 130.5 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -148.6 | 4.2 | 167.7 | -96.6 | 176.1 | -168.5 | 0 | 0 | 116.4 | S1722 | S1722-E1724 VanDerWaalsContact C-N 3.28Å; S1722-E1724 PolarHBondContact O-N 3.05Å; S1722-E1724 VanDerWaalsContact O-N 3.15Å |
| 1725 | T | 32.1 | Very low | 38.6 | Very low | 134.8 Ų | 134.8 | 126.9 Ų | 126.9 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -130.2 | 14.8 | -179.3 | 52.5 | 0 | 0 | 0 | 0 | 116 | D1727 | T1725-D1727 VanDerWaalsContact C-N 3.32Å; T1725-D1727 PolarHBondContact O-N 3.32Å; T1725-D1727 VanDerWaalsContact O-N 3.12Å |
| 1726 | A | 33 | Very low | 40.3 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 78% | 0.777 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1728 | A1726-R1728 VanDerWaalsContact C-N 3.29Å; A1726-R1728 PolarHBondContact O-N 3.26Å; A1726-R1728 VanDerWaalsContact O-N 3.12Å |
| 1727 | D | 35.8 | Very low | 42 | Very low | 164.2 Ų | 164.2 | 119.2 Ų | 119.2 | 88% | 0.878 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 3.2 | -170 | -115.8 | -3.3 | 0 | 0 | 0 | 115.4 | T1725 | T1725-D1727 VanDerWaalsContact C-N 3.32Å; T1725-D1727 PolarHBondContact O-N 3.32Å; T1725-D1727 VanDerWaalsContact O-N 3.12Å |
| 1728 | R | 30.8 | Very low | 43.9 | Very low | 228.4 Ų | 228.4 | 112.3 Ų | 112.3 | 86% | 0.862 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -106.6 | -8.8 | -173.7 | -75.6 | -166.2 | 175.5 | -166.6 | -0.4 | 116.7 | A1726 | A1726-R1728 VanDerWaalsContact C-N 3.29Å; A1726-R1728 PolarHBondContact O-N 3.26Å; A1726-R1728 VanDerWaalsContact O-N 3.12Å |
| 1729 | N | 36.1 | Very low | 45.8 | Very low | 137.2 Ų | 137.2 | 108.9 Ų | 108.9 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -151.6 | 66.2 | -179.9 | -67.4 | -15.2 | 0 | 0 | 0 | 113.3 | T1731 | N1729-T1731 VanDerWaalsContact C-N 3.31Å; N1729-T1731 PolarHBondContact O-N 3.28Å; N1729-T1731 VanDerWaalsContact O-N 3.15Å; N1729-T1731 PolarHBondContact O-OG1 3.36Å | ||
| 1730 | S | 41.2 | Very low | 47.8 | Very low | 75.8 Ų | 75.8 | 100.3 Ų | 100.3 | 53% | 0.53 | 57% | 0.571 | S | S | . | * | trans | -69.6 | 89.6 | 159 | 51.5 | 0 | 0 | 0 | 0 | 108.1 | F1732 | S1730-F1732 VanDerWaalsContact C-N 3.34Å; S1730-F1732 VanDerWaalsContact O-CD2 3.24Å; S1730-F1732 WeakPolarHBondContact O-CD2 3.39Å; S1730-F1732 PolarHBondContact O-N 2.88Å; S1730-F1732 VanDerWaalsContact O-N 3.08Å; S1730-F1732 WeakPolarHBondContact OG-CE2 3.39Å | ||
| 1731 | T | 47.1 | Very low | 49.9 | Very low | 106 Ų | 106 | 104.5 Ų | 104.5 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | trans | -64.6 | 98.5 | 176 | -51.2 | 0 | 0 | 0 | 0 | 108.6 | N1713 N1729 C1733 | N1713-T1731 PolarHBondContact ND2-O 3.1Å; N1729-T1731 VanDerWaalsContact C-N 3.31Å; N1729-T1731 PolarHBondContact O-N 3.28Å; N1729-T1731 VanDerWaalsContact O-N 3.15Å; N1729-T1731 PolarHBondContact O-OG1 3.36Å; T1731-C1733 PolarHBondContact O-N 2.87Å | ||
| 1732 | F | 56.6 | Low | 52.1 | Low | 39 Ų | 39 | 97.5 Ų | 97.5 | 17% | 0.171 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 127.2 | 172.1 | -74.9 | -86.6 | 0 | 0 | 0 | 109 | S1730 V1966 L1969 K1970 Q1973 | S1730-F1732 VanDerWaalsContact C-N 3.34Å; S1730-F1732 VanDerWaalsContact O-CD2 3.24Å; S1730-F1732 WeakPolarHBondContact O-CD2 3.39Å; S1730-F1732 PolarHBondContact O-N 2.88Å; S1730-F1732 VanDerWaalsContact O-N 3.08Å; S1730-F1732 WeakPolarHBondContact OG-CE2 3.39Å; F1732-V1966 HydrophobicContact CB-CG2 4.45Å; F1732-V1966 HydrophobicContact CD2-CG1 4.25Å; F1732-V1966 HydrophobicContact CD2-CG2 4.33Å; F1732-V1966 HydrophobicContact CE2-CG1 4.37Å; F1732-L1969 HydrophobicContact CB-CD1 4.15Å; F1732-L1969 HydrophobicContact CD1-CB 3.61Å; F1732-L1969 VanDerWaalsContact CD1-CB 3.49Å; F1732-L1969 HydrophobicContact CD1-CD1 3.94Å; F1732-L1969 HydrophobicContact CD1-CG 4.36Å; F1732-L1969 HydrophobicContact CE1-CB 3.54Å; F1732-L1969 VanDerWaalsContact CE1-CB 3.44Å; F1732-L1969 HydrophobicContact CE1-CD1 4.43Å; F1732-L1969 HydrophobicContact CE1-CG 4.48Å; F1732-L1969 HydrophobicContact CE2-CB 4.44Å; F1732-L1969 HydrophobicContact CG-CB 4.29Å; F1732-L1969 HydrophobicContact CG-CD1 4.15Å; F1732-L1969 HydrophobicContact CZ-CB 4.07Å; F1732-K1970 HydrophobicContact CE2-CB 4.33Å; F1732-K1970 HydrophobicContact CZ-CB 4.12Å; F1732-K1970 HydrophobicContact CZ-CG 4.35Å; F1732-Q1973 HydrophobicContact CE1-CG 3.96Å; F1732-Q1973 HydrophobicContact CZ-CG 4.23Å |
| 1733 | C | 58.6 | Low | 54.6 | Low | 66.2 Ų | 66.2 | 93.7 Ų | 93.7 | 45% | 0.447 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 132.8 | 167.5 | -74.3 | 0 | 0 | 0 | 0 | 109.2 | N1713 T1731 | N1713-C1733 PolarHBondContact ND2-SG 3.35Å; T1731-C1733 PolarHBondContact O-N 2.87Å |
| 1734 | P | 62.5 | Low | 57.2 | Low | 48.6 Ų | 48.6 | 89.2 Ų | 89.2 | 32% | 0.316 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 138.8 | 179.3 | 27.9 | -34 | 0 | 0 | 0 | 111.5 | L1736 Y1962 | P1734-L1736 PolarHBondContact O-N 3.18Å; P1734-Y1962 HydrophobicContact CB-CD1 3.15Å; P1734-Y1962 HydrophobicContact CB-CD2 4.3Å; P1734-Y1962 HydrophobicContact CB-CE1 3.3Å; P1734-Y1962 HydrophobicContact CB-CE2 4.38Å; P1734-Y1962 HydrophobicContact CB-CG 3.92Å; P1734-Y1962 HydrophobicContact CG-CD1 4Å; P1734-Y1962 HydrophobicContact CG-CD2 4.39Å; P1734-Y1962 HydrophobicContact CG-CE1 3.83Å; P1734-Y1962 HydrophobicContact CG-CE2 4.31Å; P1734-Y1962 HydrophobicContact CG-CG 4.2Å |
| 1735 | I | 68.8 | Low | 59.5 | Low | 22.2 Ų | 22.2 | 81.6 Ų | 81.6 | 11% | 0.114 | 45% | 0.452 | C | S | . | . | trans | -87.3 | 114.1 | 178.4 | -59.5 | 168.5 | 0 | 0 | 0 | 108.2 | L1737 I1739 Y1796 A1799 L1957 Q1965 L1969 | I1735-L1737 WeakPolarHBondContact CG2-O 3.33Å; I1735-I1739 HydrophobicContact CG2-CD1 4.36Å; I1735-Y1796 VanDerWaalsContact CD1-CA 3.49Å; I1735-Y1796 VanDerWaalsContact CD1-CB 3.47Å; I1735-Y1796 HydrophobicContact CD1-CD1 3.51Å; I1735-Y1796 HydrophobicContact CD1-CD2 4.11Å; I1735-Y1796 HydrophobicContact CD1-CE1 4.25Å; I1735-Y1796 HydrophobicContact CD1-CG 3.5Å; I1735-A1799 HydrophobicContact CD1-CB 4.23Å; I1735-L1957 WeakPolarHBondContact O-CD1 3.37Å; I1735-L1957 WeakPolarHBondContact O-CD2 3.28Å; I1735-Q1965 PolarHBondContact O-NE2 3.21Å; I1735-Q1965 VanDerWaalsContact O-NE2 3.09Å; I1735-L1969 HydrophobicContact CD1-CD1 4.28Å; I1735-L1969 HydrophobicContact CD1-CD2 3.48Å; I1735-L1969 VanDerWaalsContact CD1-CD2 3.45Å; I1735-L1969 HydrophobicContact CD1-CG 4.41Å | ||
| 1736 | L | 65.7 | Low | 62 | Low | 63.4 Ų | 63.4 | 79.1 Ų | 79.1 | 33% | 0.332 | 43% | 0.431 | S | S | . | . | trans | -103.1 | -13.4 | -174.2 | -63.1 | 172.4 | 0 | 0 | 0 | 113.7 | P1734 Y1800 P1954 A1955 L1957 Y1962 | P1734-L1736 PolarHBondContact O-N 3.18Å; L1736-Y1800 WeakPolarHBondContact O-CE2 3.27Å; L1736-P1954 HydrophobicContact CB-CB 4.39Å; L1736-A1955 WeakPolarHBondContact O-CB 3.24Å; L1736-A1955 PolarHBondContact O-N 3.13Å; L1736-L1957 HydrophobicContact CD2-CB 4.31Å; L1736-L1957 HydrophobicContact CD2-CD1 3.86Å; L1736-L1957 HydrophobicContact CD2-CG 3.96Å; L1736-Y1962 HydrophobicContact CD2-CE1 3.99Å; L1736-Y1962 WeakPolarHBondContact CD2-OH 3.22Å | ||
| 1737 | L | 65.3 | Low | 64.5 | Low | 99.8 Ų | 99.8 | 74.6 Ų | 74.6 | 52% | 0.523 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -125.8 | 143.7 | -177.4 | -87.3 | 95.2 | 0 | 0 | 0 | 110.9 | I1735 P1954 | I1735-L1737 WeakPolarHBondContact CG2-O 3.33Å; L1737-P1954 HydrophobicContact CD1-CB 4.34Å; L1737-P1954 HydrophobicContact CG-CB 4.48Å |
| 1738 | P | 69.6 | Low | 66.8 | Low | 32.4 Ų | 32.4 | 68 Ų | 68 | 21% | 0.21 | 36% | 0.361 | C | S | . | . | trans | -63.8 | 140 | 168.3 | 16.6 | -14.4 | 0 | 0 | 0 | 109.4 | Y1800 V1814 | P1738-Y1800 HydrophobicContact CB-CD1 3.92Å; P1738-Y1800 HydrophobicContact CB-CE1 3.7Å; P1738-Y1800 HydrophobicContact CB-CG 4.35Å; P1738-Y1800 VanDerWaalsContact CD-CZ 3.47Å; P1738-Y1800 HydrophobicContact CG-CD1 4.27Å; P1738-Y1800 HydrophobicContact CG-CE1 3.88Å; P1738-Y1800 HydrophobicContact CG-CE2 4.22Å; P1738-V1814 HydrophobicContact CB-CG2 3.83Å; P1738-V1814 HydrophobicContact CG-CG2 3.42Å; P1738-V1814 VanDerWaalsContact CG-CG2 3.44Å; P1738-V1814 WeakPolarHBondContact O-CG2 3.2Å | ||
| 1739 | I | 70.4 | Confident | 69.4 | Low | 76 Ų | 76 | 61.4 Ų | 61.4 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | trans | -96.9 | -32.1 | 179.3 | -61.8 | 177.5 | 0 | 0 | 0 | 110.4 | I1735 Q1793 Y1796 | I1735-I1739 HydrophobicContact CG2-CD1 4.36Å; I1739-Q1793 HydrophobicContact CG2-CB 4.2Å; I1739-Q1793 HydrophobicContact CG2-CG 4.19Å; I1739-Y1796 HydrophobicContact CD1-CD2 3.65Å; I1739-Y1796 HydrophobicContact CD1-CG 3.95Å | ||
| 1740 | N | 72.9 | Confident | 71.7 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -139.6 | 171.1 | -178.5 | -42.8 | 10.8 | 0 | 0 | 0 | 111.2 | L1742 Q1797 | N1740-L1742 VanDerWaalsContact C-N 3.3Å; N1740-L1742 HydrophobicContact CB-CD1 4.49Å; N1740-L1742 HydrophobicContact CB-CG 4.39Å; N1740-L1742 PolarHBondContact O-N 3.02Å; N1740-L1742 VanDerWaalsContact OD1-CB 3.26Å; N1740-L1742 WeakPolarHBondContact OD1-CB 3.24Å; N1740-L1742 WeakPolarHBondContact OD1-CG 3.35Å; N1740-L1742 PolarHBondContact OD1-N 3.15Å; N1740-Q1797 HydrophobicContact CB-CG 4.34Å; N1740-Q1797 VanDerWaalsContact N-OE1 3.14Å; N1740-Q1797 VanDerWaalsContact O-CD 3.27Å; N1740-Q1797 PolarHBondContact O-NE2 3.2Å; N1740-Q1797 PolarHBondContact O-OE1 3.19Å; N1740-Q1797 WeakPolarHBondContact OD1-CG 3.3Å; N1740-Q1797 PolarHBondContact OD1-NE2 3.26Å |
| 1741 | D | 74.9 | Confident | 73.9 | Confident | 153.4 Ų | 153.4 | 53.3 Ų | 53.3 | 82% | 0.82 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -90.1 | 10 | 179 | -64.3 | -33.5 | 0 | 0 | 0 | 113.4 | ||
| 1742 | L | 78.8 | Confident | 75.6 | Confident | 42.8 Ų | 42.8 | 50.5 Ų | 50.5 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | trans | -72.4 | 135.7 | -179.4 | -62.3 | 172 | 0 | 0 | 0 | 110.3 | N1740 Q1746 T1750 I1794 Q1797 | N1740-L1742 VanDerWaalsContact C-N 3.3Å; N1740-L1742 HydrophobicContact CB-CD1 4.49Å; N1740-L1742 HydrophobicContact CB-CG 4.39Å; N1740-L1742 PolarHBondContact O-N 3.02Å; N1740-L1742 VanDerWaalsContact OD1-CB 3.26Å; N1740-L1742 WeakPolarHBondContact OD1-CB 3.24Å; N1740-L1742 WeakPolarHBondContact OD1-CG 3.35Å; N1740-L1742 PolarHBondContact OD1-N 3.15Å; L1742-Q1746 HydrophobicContact CB-CB 4.29Å; L1742-Q1746 HydrophobicContact CD2-CB 4.11Å; L1742-T1750 HydrophobicContact CD1-CG2 4.23Å; L1742-T1750 HydrophobicContact CD2-CG2 4.46Å; L1742-I1794 HydrophobicContact CD1-CD1 3.64Å; L1742-I1794 HydrophobicContact CD1-CG1 4.02Å; L1742-Q1797 PolarHBondContact O-NE2 3.11Å | ||
| 1743 | N | 82.2 | Confident | 77.1 | Confident | 35.6 Ų | 35.6 | 52.7 Ų | 52.7 | 19% | 0.19 | 29% | 0.292 | C | S | . | . | trans | -80 | 165.5 | 170.1 | 68 | 27.9 | 0 | 0 | 0 | 111.1 | P1745 Q1746 C1747 L2117 G2118 | N1743-P1745 VanDerWaalsContact OD1-CD 3.3Å; N1743-P1745 WeakPolarHBondContact OD1-CD 3.37Å; N1743-P1745 VanDerWaalsContact OD1-CG 3.29Å; N1743-P1745 WeakPolarHBondContact OD1-CG 3.27Å; N1743-Q1746 VanDerWaalsContact CG-CD 3.45Å; N1743-Q1746 VanDerWaalsContact CG-OE1 3.28Å; N1743-Q1746 VanDerWaalsContact N-OE1 3.1Å; N1743-Q1746 VanDerWaalsContact ND2-CD 3.28Å; N1743-Q1746 PolarHBondContact ND2-OE1 3.5Å; N1743-Q1746 CarbonylContact O-C 3.41Å; N1743-Q1746 WeakPolarHBondContact O-CB 3.35Å; N1743-Q1746 PolarHBondContact O-N 3.11Å; N1743-Q1746 VanDerWaalsContact O-N 3.12Å; N1743-Q1746 WeakPolarHBondContact OD1-CB 3.43Å; N1743-Q1746 VanDerWaalsContact OD1-CD 3.22Å; N1743-Q1746 WeakPolarHBondContact OD1-CG 3.43Å; N1743-Q1746 PolarHBondContact OD1-N 3.12Å; N1743-Q1746 PolarHBondContact OD1-OE1 3.2Å; N1743-C1747 PolarHBondContact O-N 3.22Å; N1743-C1747 PolarHBondContact O-SG 3Å; N1743-C1747 VanDerWaalsContact O-SG 3.37Å; N1743-L2117 PolarHBondContact ND2-O 2.99Å; N1743-G2118 WeakPolarHBondContact CB-O 3.42Å | ||
| 1744 | Y | 85.1 | Confident | 78.4 | Confident | 23.8 Ų | 23.8 | 49.7 Ų | 49.7 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.4 | -45.2 | -175.1 | -168.9 | -90.9 | 0 | 0 | 0 | 113.9 | Q1746 C1747 C1748 A1798 L1801 I1802 L2040 S2043 V2044 P2045 W2120 | Y1744-Q1746 VanDerWaalsContact C-N 3.34Å; Y1744-Q1746 PolarHBondContact O-N 3.1Å; Y1744-C1747 WeakPolarHBondContact O-CB 3.3Å; Y1744-C1747 PolarHBondContact O-N 3.14Å; Y1744-C1747 VanDerWaalsContact O-N 3.14Å; Y1744-C1748 PolarHBondContact O-N 3.31Å; Y1744-C1748 VanDerWaalsContact O-N 3.12Å; Y1744-C1748 PolarHBondContact O-SG 2.86Å; Y1744-A1798 HydrophobicContact CE2-CB 4.31Å; Y1744-L1801 HydrophobicContact CD2-CB 4.1Å; Y1744-L1801 HydrophobicContact CD2-CD1 4.41Å; Y1744-I1802 HydrophobicContact CD2-CG1 4.38Å; Y1744-I1802 HydrophobicContact CE2-CD1 3.84Å; Y1744-I1802 HydrophobicContact CE2-CG1 3.58Å; Y1744-L2040 HydrophobicContact CE2-CD2 4.49Å; Y1744-L2040 WeakPolarHBondContact OH-CA 3.42Å; Y1744-L2040 PolarHBondContact OH-O 3.11Å; Y1744-S2043 PolarHBondContact OH-O 3.26Å; Y1744-S2043 PolarHBondContact OH-OG 3.17Å; Y1744-V2044 HydrophobicContact CE1-CG2 4.17Å; Y1744-P2045 HydrophobicContact CD1-CG 4.29Å; Y1744-P2045 HydrophobicContact CD2-CG 3.77Å; Y1744-P2045 VanDerWaalsContact CE1-CD 3.48Å; Y1744-P2045 HydrophobicContact CE1-CG 4.45Å; Y1744-P2045 HydrophobicContact CE2-CG 4.02Å; Y1744-P2045 HydrophobicContact CG-CG 3.9Å; Y1744-P2045 VanDerWaalsContact CZ-CD 3.47Å; Y1744-W2120 AromaticContact CD1-CE3 3.47Å; Y1744-W2120 HydrophobicContact CD1-CE3 3.47Å; Y1744-W2120 VanDerWaalsContact CD1-CE3 3.44Å; Y1744-W2120 AromaticContact CD1-CZ3 3.49Å; Y1744-W2120 HydrophobicContact CD1-CZ3 3.49Å; Y1744-W2120 VanDerWaalsContact CD1-CZ3 3.46Å; Y1744-W2120 HydrophobicContact CE1-CE3 4.29Å; Y1744-W2120 AromaticContact CE1-CZ3 3.96Å; Y1744-W2120 HydrophobicContact CE1-CZ3 4.08Å; Y1744-W2120 HydrophobicContact CG-CE3 4.12Å; Y1744-W2120 HydrophobicContact CG-CZ3 4.48Å |
| 1745 | P | 82.2 | Confident | 79.5 | Confident | 25.8 Ų | 25.8 | 49.1 Ų | 49.1 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -39.9 | 175 | 2.4 | -4.2 | 0 | 0 | 0 | 113.2 | N1743 C1747 C1748 D1749 W2120 | N1743-P1745 VanDerWaalsContact OD1-CD 3.3Å; N1743-P1745 WeakPolarHBondContact OD1-CD 3.37Å; N1743-P1745 VanDerWaalsContact OD1-CG 3.29Å; N1743-P1745 WeakPolarHBondContact OD1-CG 3.27Å; P1745-C1747 VanDerWaalsContact C-N 3.29Å; P1745-C1747 PolarHBondContact O-N 3.23Å; P1745-C1748 WeakPolarHBondContact O-CB 3.29Å; P1745-C1748 PolarHBondContact O-N 3.1Å; P1745-C1748 VanDerWaalsContact O-N 3.13Å; P1745-D1749 PolarHBondContact O-N 3.03Å; P1745-W2120 HydrophobicContact CB-CH2 3.99Å; P1745-W2120 HydrophobicContact CB-CZ2 3.92Å; P1745-W2120 HydrophobicContact CG-CD2 4.5Å; P1745-W2120 HydrophobicContact CG-CH2 4.35Å; P1745-W2120 HydrophobicContact CG-CZ2 3.9Å |
| 1746 | Q | 84.3 | Confident | 80.5 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 174.6 | -73.5 | 164.5 | -12.9 | 0 | 0 | 111.9 | L1742 N1743 Y1744 C1748 D1749 T1750 | L1742-Q1746 HydrophobicContact CB-CB 4.29Å; L1742-Q1746 HydrophobicContact CD2-CB 4.11Å; N1743-Q1746 VanDerWaalsContact CG-CD 3.45Å; N1743-Q1746 VanDerWaalsContact CG-OE1 3.28Å; N1743-Q1746 VanDerWaalsContact N-OE1 3.1Å; N1743-Q1746 VanDerWaalsContact ND2-CD 3.28Å; N1743-Q1746 PolarHBondContact ND2-OE1 3.5Å; N1743-Q1746 CarbonylContact O-C 3.41Å; N1743-Q1746 WeakPolarHBondContact O-CB 3.35Å; N1743-Q1746 PolarHBondContact O-N 3.11Å; N1743-Q1746 VanDerWaalsContact O-N 3.12Å; N1743-Q1746 WeakPolarHBondContact OD1-CB 3.43Å; N1743-Q1746 VanDerWaalsContact OD1-CD 3.22Å; N1743-Q1746 WeakPolarHBondContact OD1-CG 3.43Å; N1743-Q1746 PolarHBondContact OD1-N 3.12Å; N1743-Q1746 PolarHBondContact OD1-OE1 3.2Å; Y1744-Q1746 VanDerWaalsContact C-N 3.34Å; Y1744-Q1746 PolarHBondContact O-N 3.1Å; Q1746-C1748 VanDerWaalsContact C-N 3.32Å; Q1746-C1748 PolarHBondContact O-N 3.11Å; Q1746-D1749 PolarHBondContact O-N 3.24Å; Q1746-T1750 WeakPolarHBondContact O-CB 3.4Å; Q1746-T1750 VanDerWaalsContact O-CG2 3.27Å; Q1746-T1750 WeakPolarHBondContact O-CG2 3.3Å; Q1746-T1750 PolarHBondContact O-N 3.18Å; Q1746-T1750 PolarHBondContact O-OG1 3.04Å; Q1746-T1750 VanDerWaalsContact O-OG1 3.12Å |
| 1747 | C | 85.7 | Confident | 81.5 | Confident | 0.6 Ų | 0.6 | 55.5 Ų | 55.5 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 172 | -65.3 | 0 | 0 | 0 | 0 | 111.2 | N1743 Y1744 P1745 T1750 V1751 I1794 A1798 | N1743-C1747 PolarHBondContact O-N 3.22Å; N1743-C1747 PolarHBondContact O-SG 3Å; N1743-C1747 VanDerWaalsContact O-SG 3.37Å; Y1744-C1747 WeakPolarHBondContact O-CB 3.3Å; Y1744-C1747 PolarHBondContact O-N 3.14Å; Y1744-C1747 VanDerWaalsContact O-N 3.14Å; P1745-C1747 VanDerWaalsContact C-N 3.29Å; P1745-C1747 PolarHBondContact O-N 3.23Å; C1747-T1750 WeakPolarHBondContact CA-OG1 3.32Å; C1747-T1750 PolarHBondContact O-N 3.19Å; C1747-T1750 PolarHBondContact O-OG1 3.21Å; C1747-V1751 VanDerWaalsContact O-CG2 3.31Å; C1747-V1751 WeakPolarHBondContact O-CG2 3.38Å; C1747-V1751 PolarHBondContact O-N 3.15Å; C1747-V1751 VanDerWaalsContact O-N 3.11Å; C1747-I1794 HydrophobicContact CB-CG2 3.87Å; C1747-A1798 HydrophobicContact CB-CB 4.28Å |
| 1748 | C | 84.6 | Confident | 82.7 | Confident | 25.8 Ų | 25.8 | 51.1 Ų | 51.1 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.8 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | Y1744 P1745 Q1746 T1750 V1751 C1752 | Y1744-C1748 PolarHBondContact O-N 3.31Å; Y1744-C1748 VanDerWaalsContact O-N 3.12Å; Y1744-C1748 PolarHBondContact O-SG 2.86Å; P1745-C1748 WeakPolarHBondContact O-CB 3.29Å; P1745-C1748 PolarHBondContact O-N 3.1Å; P1745-C1748 VanDerWaalsContact O-N 3.13Å; Q1746-C1748 VanDerWaalsContact C-N 3.32Å; Q1746-C1748 PolarHBondContact O-N 3.11Å; C1748-T1750 PolarHBondContact O-N 2.65Å; C1748-V1751 PolarHBondContact O-N 3.27Å; C1748-C1752 PolarHBondContact O-N 3.25Å; C1748-C1752 VanDerWaalsContact O-N 3.08Å; C1748-C1752 PolarHBondContact O-SG 3.15Å; C1748-C1752 VanDerWaalsContact O-SG 3.34Å |
| 1749 | D | 84.6 | Confident | 83.5 | Confident | 89.8 Ų | 89.8 | 51.6 Ų | 51.6 | 48% | 0.48 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 178.9 | -67.2 | -24.4 | 0 | 0 | 0 | 111.1 | P1745 Q1746 V1751 C1752 D1753 | P1745-D1749 PolarHBondContact O-N 3.03Å; Q1746-D1749 PolarHBondContact O-N 3.24Å; D1749-V1751 VanDerWaalsContact C-N 3.34Å; D1749-V1751 PolarHBondContact O-N 3.26Å; D1749-C1752 WeakPolarHBondContact O-CA 3.45Å; D1749-C1752 WeakPolarHBondContact O-CB 3.25Å; D1749-C1752 PolarHBondContact O-N 3.17Å; D1749-C1752 VanDerWaalsContact O-N 3.1Å; D1749-D1753 PolarHBondContact O-N 3.15Å; D1749-D1753 VanDerWaalsContact O-N 3.14Å |
| 1750 | T | 85.4 | Confident | 84.4 | Confident | 28.6 Ų | 28.6 | 50.6 Ų | 50.6 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 177.4 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | L1742 Q1746 C1747 C1748 C1752 D1753 I1754 I1794 | L1742-T1750 HydrophobicContact CD1-CG2 4.23Å; L1742-T1750 HydrophobicContact CD2-CG2 4.46Å; Q1746-T1750 WeakPolarHBondContact O-CB 3.4Å; Q1746-T1750 VanDerWaalsContact O-CG2 3.27Å; Q1746-T1750 WeakPolarHBondContact O-CG2 3.3Å; Q1746-T1750 PolarHBondContact O-N 3.18Å; Q1746-T1750 PolarHBondContact O-OG1 3.04Å; Q1746-T1750 VanDerWaalsContact O-OG1 3.12Å; C1747-T1750 WeakPolarHBondContact CA-OG1 3.32Å; C1747-T1750 PolarHBondContact O-N 3.19Å; C1747-T1750 PolarHBondContact O-OG1 3.21Å; C1748-T1750 PolarHBondContact O-N 2.65Å; T1750-C1752 VanDerWaalsContact C-N 3.29Å; T1750-C1752 PolarHBondContact O-N 3.1Å; T1750-D1753 PolarHBondContact O-N 3.24Å; T1750-D1753 VanDerWaalsContact O-N 3.14Å; T1750-I1754 WeakPolarHBondContact O-CB 3.39Å; T1750-I1754 WeakPolarHBondContact O-CD1 3.4Å; T1750-I1754 VanDerWaalsContact O-CG1 3.24Å; T1750-I1754 WeakPolarHBondContact O-CG1 3.38Å; T1750-I1754 PolarHBondContact O-N 2.97Å; T1750-I1794 HydrophobicContact CG2-CD1 4.45Å; T1750-I1794 WeakPolarHBondContact OG1-CD1 3.43Å |
| 1751 | V | 86.3 | Confident | 85.1 | Confident | 13.4 Ų | 13.4 | 50.4 Ų | 50.4 | 8% | 0.081 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 172.5 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | C1747 C1748 D1749 D1753 I1754 D1755 L1791 I1794 L2036 L2037 L2040 | C1747-V1751 VanDerWaalsContact O-CG2 3.31Å; C1747-V1751 WeakPolarHBondContact O-CG2 3.38Å; C1747-V1751 PolarHBondContact O-N 3.15Å; C1747-V1751 VanDerWaalsContact O-N 3.11Å; C1748-V1751 PolarHBondContact O-N 3.27Å; D1749-V1751 VanDerWaalsContact C-N 3.34Å; D1749-V1751 PolarHBondContact O-N 3.26Å; V1751-D1753 VanDerWaalsContact C-N 3.33Å; V1751-D1753 PolarHBondContact O-N 2.75Å; V1751-I1754 PolarHBondContact O-N 3.24Å; V1751-D1755 PolarHBondContact O-N 3Å; V1751-D1755 VanDerWaalsContact O-N 3.13Å; V1751-L1791 HydrophobicContact CB-CD1 4.47Å; V1751-L1791 HydrophobicContact CG1-CD1 4.27Å; V1751-L1791 HydrophobicContact CG2-CD1 4.19Å; V1751-I1794 HydrophobicContact CG2-CB 4.49Å; V1751-I1794 HydrophobicContact CG2-CG2 3.78Å; V1751-L2036 HydrophobicContact CG1-CD2 4.13Å; V1751-L2036 HydrophobicContact CG1-CG 4.48Å; V1751-L2036 HydrophobicContact CG2-CD2 4.47Å; V1751-L2037 HydrophobicContact CB-CD2 3.83Å; V1751-L2037 HydrophobicContact CG1-CB 4.49Å; V1751-L2037 HydrophobicContact CG1-CD1 4.36Å; V1751-L2037 HydrophobicContact CG1-CD2 3.5Å; V1751-L2037 HydrophobicContact CG1-CG 3.67Å; V1751-L2040 HydrophobicContact CG2-CD1 4.01Å |
| 1752 | C | 84.2 | Confident | 85.7 | Confident | 46.6 Ų | 46.6 | 43.6 Ų | 43.6 | 32% | 0.315 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | C1748 D1749 T1750 K1756 L2037 | C1748-C1752 PolarHBondContact O-N 3.25Å; C1748-C1752 VanDerWaalsContact O-N 3.08Å; C1748-C1752 PolarHBondContact O-SG 3.15Å; C1748-C1752 VanDerWaalsContact O-SG 3.34Å; D1749-C1752 WeakPolarHBondContact O-CA 3.45Å; D1749-C1752 WeakPolarHBondContact O-CB 3.25Å; D1749-C1752 PolarHBondContact O-N 3.17Å; D1749-C1752 VanDerWaalsContact O-N 3.1Å; T1750-C1752 VanDerWaalsContact C-N 3.29Å; T1750-C1752 PolarHBondContact O-N 3.1Å; C1752-K1756 WeakPolarHBondContact O-CG 3.46Å; C1752-K1756 PolarHBondContact O-N 3.1Å; C1752-L2037 VanDerWaalsContact SG-CD2 3.56Å |
| 1753 | D | 86.6 | Confident | 86.1 | Confident | 85.2 Ų | 85.2 | 46.4 Ų | 46.4 | 46% | 0.456 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.1 | -35.8 | 176.7 | -70.6 | -26.1 | 0 | 0 | 0 | 112.1 | D1749 T1750 V1751 D1755 K1756 E1757 | D1749-D1753 PolarHBondContact O-N 3.15Å; D1749-D1753 VanDerWaalsContact O-N 3.14Å; T1750-D1753 PolarHBondContact O-N 3.24Å; T1750-D1753 VanDerWaalsContact O-N 3.14Å; V1751-D1753 VanDerWaalsContact C-N 3.33Å; V1751-D1753 PolarHBondContact O-N 2.75Å; D1753-D1755 VanDerWaalsContact C-N 3.32Å; D1753-D1755 PolarHBondContact O-N 3Å; D1753-K1756 WeakPolarHBondContact O-CB 3.39Å; D1753-K1756 PolarHBondContact O-N 3.11Å; D1753-K1756 VanDerWaalsContact O-N 3.12Å; D1753-K1756 IonicContact OD1-NZ 3.46Å; D1753-K1756 PolarHBondContact OD1-NZ 3.11Å; D1753-E1757 PolarHBondContact O-N 3Å |
| 1754 | I | 86.7 | Confident | 86.3 | Confident | 3.6 Ų | 3.6 | 47 Ų | 47 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -41.6 | 172.5 | -76 | 165.4 | 0 | 0 | 0 | 111.6 | T1750 V1751 K1756 E1757 F1758 V1787 H1790 L1791 I1794 | T1750-I1754 WeakPolarHBondContact O-CB 3.39Å; T1750-I1754 WeakPolarHBondContact O-CD1 3.4Å; T1750-I1754 VanDerWaalsContact O-CG1 3.24Å; T1750-I1754 WeakPolarHBondContact O-CG1 3.38Å; T1750-I1754 PolarHBondContact O-N 2.97Å; V1751-I1754 PolarHBondContact O-N 3.24Å; I1754-K1756 VanDerWaalsContact C-N 3.27Å; I1754-K1756 PolarHBondContact O-N 3.02Å; I1754-E1757 PolarHBondContact O-N 3.04Å; I1754-E1757 VanDerWaalsContact O-N 3.12Å; I1754-F1758 HydrophobicContact CG2-CD2 3.6Å; I1754-F1758 HydrophobicContact CG2-CE1 4.45Å; I1754-F1758 HydrophobicContact CG2-CE2 3.19Å; I1754-F1758 HydrophobicContact CG2-CG 4.45Å; I1754-F1758 HydrophobicContact CG2-CZ 3.76Å; I1754-F1758 VanDerWaalsContact O-CB 3.24Å; I1754-F1758 WeakPolarHBondContact O-CB 3.29Å; I1754-F1758 WeakPolarHBondContact O-CD2 3.35Å; I1754-F1758 WeakPolarHBondContact O-CG 3.34Å; I1754-F1758 PolarHBondContact O-N 3.07Å; I1754-V1787 HydrophobicContact CB-CG1 4.34Å; I1754-V1787 HydrophobicContact CG1-CG1 4.33Å; I1754-V1787 HydrophobicContact CG2-CG1 3.62Å; I1754-H1790 HydrophobicContact CD1-CB 4.19Å; I1754-H1790 WeakPolarHBondContact CD1-CD2 3.14Å; I1754-H1790 HydrophobicContact CG1-CB 4.45Å; I1754-H1790 WeakPolarHBondContact CG1-CD2 3.06Å; I1754-L1791 HydrophobicContact CB-CD1 4.49Å; I1754-L1791 HydrophobicContact CD1-CB 4.24Å; I1754-L1791 HydrophobicContact CD1-CD1 4.01Å; I1754-L1791 HydrophobicContact CG2-CB 4.19Å; I1754-L1791 HydrophobicContact CG2-CD1 3.99Å; I1754-L1791 HydrophobicContact CG2-CG 4.49Å; I1754-I1794 HydrophobicContact CD1-CD1 3.42Å; I1754-I1794 VanDerWaalsContact CD1-CD1 3.42Å; I1754-I1794 HydrophobicContact CD1-CG1 4.05Å |
| 1755 | D | 85.9 | Confident | 86.3 | Confident | 36.2 Ų | 36.2 | 45.9 Ų | 45.9 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 176.6 | -177.8 | 55.7 | 0 | 0 | 0 | 112 | V1751 D1753 N1759 H2030 C2033 | V1751-D1755 PolarHBondContact O-N 3Å; V1751-D1755 VanDerWaalsContact O-N 3.13Å; D1753-D1755 VanDerWaalsContact C-N 3.32Å; D1753-D1755 PolarHBondContact O-N 3Å; D1755-N1759 WeakPolarHBondContact O-CB 3.37Å; D1755-N1759 PolarHBondContact O-N 3.28Å; D1755-N1759 VanDerWaalsContact O-N 3.17Å; D1755-N1759 PolarHBondContact O-ND2 3.23Å; D1755-N1759 PolarHBondContact OD1-ND2 3.33Å; D1755-H2030 VanDerWaalsContact CG-ND1 3.34Å; D1755-H2030 IonicContact OD1-CE1 3.65Å; D1755-H2030 IonicContact OD1-CG 2.77Å; D1755-H2030 IonicContact OD1-ND1 3.51Å; D1755-H2030 PolarHBondContact OD1-ND1 3.17Å; D1755-H2030 VanDerWaalsContact OD1-ND1 3.11Å; D1755-H2030 IonicContact OD2-CE1 3.6Å; D1755-H2030 PolarHBondContact OD2-CE1 3.35Å; D1755-H2030 VanDerWaalsContact OD2-CE1 3.31Å; D1755-H2030 IonicContact OD2-ND1 2.98Å; D1755-H2030 PolarHBondContact OD2-ND1 3.03Å; D1755-H2030 VanDerWaalsContact OD2-ND1 3.12Å; D1755-C2033 HydrophobicContact CB-CB 4.37Å |
| 1756 | K | 88.2 | Confident | 86.3 | Confident | 131.2 Ų | 131.2 | 46.4 Ų | 46.4 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 173.9 | -60.2 | 170.2 | -162.8 | 152.8 | 0 | 111.5 | C1752 D1753 I1754 N1759 A1760 | C1752-K1756 WeakPolarHBondContact O-CG 3.46Å; C1752-K1756 PolarHBondContact O-N 3.1Å; D1753-K1756 WeakPolarHBondContact O-CB 3.39Å; D1753-K1756 PolarHBondContact O-N 3.11Å; D1753-K1756 VanDerWaalsContact O-N 3.12Å; D1753-K1756 IonicContact OD1-NZ 3.46Å; D1753-K1756 PolarHBondContact OD1-NZ 3.11Å; I1754-K1756 VanDerWaalsContact C-N 3.27Å; I1754-K1756 PolarHBondContact O-N 3.02Å; K1756-N1759 PolarHBondContact O-N 3.2Å; K1756-A1760 PolarHBondContact O-N 3.34Å |
| 1757 | E | 88.6 | Confident | 86.1 | Confident | 88 Ų | 88 | 45.2 Ų | 45.2 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 179.3 | -162.3 | 177.6 | 176 | 0 | 0 | 111.9 | D1753 I1754 N1759 A1760 H1761 V1787 | D1753-E1757 PolarHBondContact O-N 3Å; I1754-E1757 PolarHBondContact O-N 3.04Å; I1754-E1757 VanDerWaalsContact O-N 3.12Å; E1757-N1759 VanDerWaalsContact C-N 3.34Å; E1757-N1759 PolarHBondContact O-N 3.1Å; E1757-A1760 WeakPolarHBondContact O-CB 3.38Å; E1757-A1760 PolarHBondContact O-N 3.23Å; E1757-H1761 PolarHBondContact O-CD2 3.1Å; E1757-H1761 VanDerWaalsContact O-CD2 3.26Å; E1757-H1761 PolarHBondContact O-N 3.26Å; E1757-H1761 VanDerWaalsContact O-N 3.14Å; E1757-H1761 IonicContact OE1-NE2 2.96Å; E1757-V1787 HydrophobicContact CB-CG1 4.28Å; E1757-V1787 HydrophobicContact CB-CG2 4.26Å; E1757-V1787 HydrophobicContact CG-CG1 4.45Å; E1757-V1787 HydrophobicContact CG-CG2 3.66Å; E1757-V1787 WeakPolarHBondContact OE1-CG2 3.33Å |
| 1758 | F | 88.7 | Confident | 85.8 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 170.9 | -90.5 | -54.2 | 0 | 0 | 0 | 111.4 | I1754 A1760 H1761 L1762 L1784 V1787 L1791 V1975 I1979 L2029 | I1754-F1758 HydrophobicContact CG2-CD2 3.6Å; I1754-F1758 HydrophobicContact CG2-CE1 4.45Å; I1754-F1758 HydrophobicContact CG2-CE2 3.19Å; I1754-F1758 HydrophobicContact CG2-CG 4.45Å; I1754-F1758 HydrophobicContact CG2-CZ 3.76Å; I1754-F1758 VanDerWaalsContact O-CB 3.24Å; I1754-F1758 WeakPolarHBondContact O-CB 3.29Å; I1754-F1758 WeakPolarHBondContact O-CD2 3.35Å; I1754-F1758 WeakPolarHBondContact O-CG 3.34Å; I1754-F1758 PolarHBondContact O-N 3.07Å; F1758-A1760 VanDerWaalsContact C-N 3.29Å; F1758-A1760 PolarHBondContact O-N 3.1Å; F1758-H1761 PolarHBondContact O-N 3.31Å; F1758-L1762 HydrophobicContact CB-CD1 4.42Å; F1758-L1762 HydrophobicContact CE1-CD2 4Å; F1758-L1762 HydrophobicContact CZ-CD2 4.37Å; F1758-L1762 VanDerWaalsContact O-CB 3.32Å; F1758-L1762 WeakPolarHBondContact O-CB 3.42Å; F1758-L1762 VanDerWaalsContact O-CG 3.27Å; F1758-L1762 WeakPolarHBondContact O-CG 3.32Å; F1758-L1762 PolarHBondContact O-N 3.19Å; F1758-L1784 HydrophobicContact CD1-CD1 3.46Å; F1758-L1784 HydrophobicContact CD1-CD2 3.74Å; F1758-L1784 HydrophobicContact CD1-CG 4.49Å; F1758-L1784 HydrophobicContact CD2-CD1 3.38Å; F1758-L1784 HydrophobicContact CD2-CG 4.38Å; F1758-L1784 HydrophobicContact CE1-CD1 3.97Å; F1758-L1784 HydrophobicContact CE1-CD2 4.32Å; F1758-L1784 HydrophobicContact CE2-CD1 3.38Å; F1758-L1784 HydrophobicContact CE2-CG 4.18Å; F1758-L1784 HydrophobicContact CG-CD1 4.41Å; F1758-L1784 HydrophobicContact CZ-CD1 4.44Å; F1758-V1787 HydrophobicContact CB-CG1 3.8Å; F1758-V1787 HydrophobicContact CD1-CB 3.94Å; F1758-V1787 HydrophobicContact CD1-CG1 3.53Å; F1758-V1787 VanDerWaalsContact CD1-CG1 3.47Å; F1758-V1787 HydrophobicContact CD2-CG1 4.33Å; F1758-V1787 HydrophobicContact CE1-CB 3.57Å; F1758-V1787 HydrophobicContact CE1-CG1 3.28Å; F1758-V1787 HydrophobicContact CE2-CG1 4.16Å; F1758-V1787 HydrophobicContact CG-CG1 4.15Å; F1758-V1787 HydrophobicContact CZ-CB 4.26Å; F1758-V1787 HydrophobicContact CZ-CG1 3.62Å; F1758-L1791 HydrophobicContact CE2-CD2 4.08Å; F1758-L1791 HydrophobicContact CZ-CB 4.41Å; F1758-L1791 HydrophobicContact CZ-CD2 4.24Å; F1758-V1975 HydrophobicContact CE2-CG1 4.31Å; F1758-I1979 HydrophobicContact CD1-CD1 4.11Å; F1758-I1979 HydrophobicContact CE1-CD1 3.33Å; F1758-I1979 VanDerWaalsContact CE1-CD1 3.4Å; F1758-I1979 HydrophobicContact CE1-CG1 4.42Å; F1758-I1979 HydrophobicContact CE2-CD1 3.97Å; F1758-I1979 HydrophobicContact CZ-CD1 3.26Å; F1758-L2029 HydrophobicContact CB-CD2 4.19Å; F1758-L2029 HydrophobicContact CD2-CD2 4.39Å; F1758-L2029 HydrophobicContact CG-CD2 4.28Å |
| 1759 | N | 87.1 | Confident | 85.4 | Confident | 42.8 Ų | 42.8 | 44.3 Ų | 44.3 | 23% | 0.229 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -35.7 | 179 | -78.9 | -58.2 | 0 | 0 | 0 | 112.4 | D1755 K1756 E1757 H1761 L1762 N1763 R2026 | D1755-N1759 WeakPolarHBondContact O-CB 3.37Å; D1755-N1759 PolarHBondContact O-N 3.28Å; D1755-N1759 VanDerWaalsContact O-N 3.17Å; D1755-N1759 PolarHBondContact O-ND2 3.23Å; D1755-N1759 PolarHBondContact OD1-ND2 3.33Å; K1756-N1759 PolarHBondContact O-N 3.2Å; E1757-N1759 VanDerWaalsContact C-N 3.34Å; E1757-N1759 PolarHBondContact O-N 3.1Å; N1759-H1761 VanDerWaalsContact C-N 3.35Å; N1759-H1761 PolarHBondContact O-N 2.96Å; N1759-L1762 PolarHBondContact O-N 3.14Å; N1759-N1763 WeakPolarHBondContact O-CB 3.39Å; N1759-N1763 VanDerWaalsContact O-CG 3.27Å; N1759-N1763 PolarHBondContact O-N 3.19Å; N1759-N1763 VanDerWaalsContact O-N 3.12Å; N1759-N1763 PolarHBondContact O-ND2 3.19Å; N1759-N1763 PolarHBondContact O-OD1 3.13Å; N1759-R2026 PolarHBondContact OD1-NH1 2.88Å |
| 1760 | A | 88.9 | Confident | 85.1 | Confident | 56.4 Ų | 56.4 | 43.4 Ų | 43.4 | 47% | 0.466 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1756 E1757 F1758 V1764 | K1756-A1760 PolarHBondContact O-N 3.34Å; E1757-A1760 WeakPolarHBondContact O-CB 3.38Å; E1757-A1760 PolarHBondContact O-N 3.23Å; F1758-A1760 VanDerWaalsContact C-N 3.29Å; F1758-A1760 PolarHBondContact O-N 3.1Å; A1760-V1764 WeakPolarHBondContact O-CG2 3.26Å |
| 1761 | H | 88.3 | Confident | 84.7 | Confident | 38.8 Ų | 38.8 | 46.2 Ų | 46.2 | 18% | 0.18 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.2 | -40.8 | 177 | -69.7 | -56.3 | 0 | 0 | 0 | 113 | E1757 F1758 N1759 N1763 V1764 I1765 L1784 | E1757-H1761 PolarHBondContact O-CD2 3.1Å; E1757-H1761 VanDerWaalsContact O-CD2 3.26Å; E1757-H1761 PolarHBondContact O-N 3.26Å; E1757-H1761 VanDerWaalsContact O-N 3.14Å; E1757-H1761 IonicContact OE1-NE2 2.96Å; F1758-H1761 PolarHBondContact O-N 3.31Å; N1759-H1761 VanDerWaalsContact C-N 3.35Å; N1759-H1761 PolarHBondContact O-N 2.96Å; H1761-N1763 VanDerWaalsContact C-N 3.32Å; H1761-N1763 PolarHBondContact O-N 2.93Å; H1761-V1764 PolarHBondContact O-N 3.12Å; H1761-I1765 WeakPolarHBondContact O-CG1 3.23Å; H1761-I1765 PolarHBondContact O-N 3.34Å; H1761-L1784 HydrophobicContact CB-CD1 4.32Å; H1761-L1784 HydrophobicContact CB-CD2 3.84Å; H1761-L1784 HydrophobicContact CB-CG 3.83Å |
| 1762 | L | 87.3 | Confident | 84.1 | Confident | 11.2 Ų | 11.2 | 48.8 Ų | 48.8 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -35.4 | -179.2 | -84.6 | 154.3 | 0 | 0 | 0 | 112.6 | F1758 N1759 V1764 I1765 P1766 L1784 L1982 F2022 R2026 L2029 | F1758-L1762 HydrophobicContact CB-CD1 4.42Å; F1758-L1762 HydrophobicContact CE1-CD2 4Å; F1758-L1762 HydrophobicContact CZ-CD2 4.37Å; F1758-L1762 VanDerWaalsContact O-CB 3.32Å; F1758-L1762 WeakPolarHBondContact O-CB 3.42Å; F1758-L1762 VanDerWaalsContact O-CG 3.27Å; F1758-L1762 WeakPolarHBondContact O-CG 3.32Å; F1758-L1762 PolarHBondContact O-N 3.19Å; N1759-L1762 PolarHBondContact O-N 3.14Å; L1762-V1764 VanDerWaalsContact C-N 3.27Å; L1762-V1764 PolarHBondContact O-N 3.15Å; L1762-I1765 HydrophobicContact CD2-CD1 4.27Å; L1762-I1765 PolarHBondContact O-N 3.03Å; L1762-P1766 VanDerWaalsContact O-CD 3.27Å; L1762-P1766 WeakPolarHBondContact O-CD 3.39Å; L1762-L1784 HydrophobicContact CD2-CD1 3.91Å; L1762-L1784 HydrophobicContact CD2-CD2 4.12Å; L1762-L1784 HydrophobicContact CG-CD1 4.25Å; L1762-L1784 HydrophobicContact CG-CD2 4.08Å; L1762-L1982 HydrophobicContact CD1-CD1 4.13Å; L1762-L1982 HydrophobicContact CD2-CD1 4.01Å; L1762-F2022 HydrophobicContact CB-CZ 4.48Å; L1762-F2022 HydrophobicContact CD2-CE2 4.25Å; L1762-F2022 HydrophobicContact CD2-CZ 3.8Å; L1762-R2026 HydrophobicContact CB-CG 4.48Å; L1762-R2026 HydrophobicContact CD1-CG 4.11Å; L1762-L2029 HydrophobicContact CD1-CD2 3.5Å; L1762-L2029 VanDerWaalsContact CD1-CD2 3.41Å |
| 1763 | N | 86.1 | Confident | 83.9 | Confident | 100.2 Ų | 100.2 | 51.3 Ų | 51.3 | 54% | 0.536 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -26.7 | 177.8 | -71 | -25.3 | 0 | 0 | 0 | 113.2 | N1759 H1761 S1767 R2026 | N1759-N1763 WeakPolarHBondContact O-CB 3.39Å; N1759-N1763 VanDerWaalsContact O-CG 3.27Å; N1759-N1763 PolarHBondContact O-N 3.19Å; N1759-N1763 VanDerWaalsContact O-N 3.12Å; N1759-N1763 PolarHBondContact O-ND2 3.19Å; N1759-N1763 PolarHBondContact O-OD1 3.13Å; H1761-N1763 VanDerWaalsContact C-N 3.32Å; H1761-N1763 PolarHBondContact O-N 2.93Å; N1763-S1767 PolarHBondContact O-OG 3.08Å; N1763-R2026 PolarHBondContact OD1-NH1 2.79Å |
| 1764 | V | 86.6 | Confident | 83.5 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -82.8 | -27.7 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | A1760 H1761 L1762 S1767 S1768 L1776 S1780 | A1760-V1764 WeakPolarHBondContact O-CG2 3.26Å; H1761-V1764 PolarHBondContact O-N 3.12Å; L1762-V1764 VanDerWaalsContact C-N 3.27Å; L1762-V1764 PolarHBondContact O-N 3.15Å; V1764-S1767 PolarHBondContact O-N 3.12Å; V1764-S1767 PolarHBondContact O-OG 3.28Å; V1764-S1767 VanDerWaalsContact O-OG 3.05Å; V1764-S1768 VanDerWaalsContact O-CB 3.23Å; V1764-S1768 WeakPolarHBondContact O-CB 3.3Å; V1764-S1768 PolarHBondContact O-N 3.16Å; V1764-S1768 PolarHBondContact O-OG 3.13Å; V1764-S1768 VanDerWaalsContact O-OG 3.07Å; V1764-L1776 HydrophobicContact CG1-CB 4.42Å; V1764-S1780 WeakPolarHBondContact CB-OG 3.31Å; V1764-S1780 VanDerWaalsContact CG1-OG 3.28Å; V1764-S1780 WeakPolarHBondContact CG1-OG 3.33Å |
| 1765 | I | 85.5 | Confident | 83.2 | Confident | 1.6 Ų | 1.6 | 50.6 Ų | 50.6 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -57.1 | -172.8 | -74 | 169.7 | 0 | 0 | 0 | 112.4 | H1761 L1762 S1767 S1768 I1769 F1777 V1781 L1784 F2022 | H1761-I1765 WeakPolarHBondContact O-CG1 3.23Å; H1761-I1765 PolarHBondContact O-N 3.34Å; L1762-I1765 HydrophobicContact CD2-CD1 4.27Å; L1762-I1765 PolarHBondContact O-N 3.03Å; I1765-S1767 VanDerWaalsContact C-N 3.32Å; I1765-S1767 PolarHBondContact O-N 3.11Å; I1765-S1768 PolarHBondContact O-N 3.2Å; I1765-S1768 PolarHBondContact O-OG 3.18Å; I1765-I1769 HydrophobicContact CG2-CD1 4.18Å; I1765-I1769 WeakPolarHBondContact O-CG1 3.32Å; I1765-I1769 PolarHBondContact O-N 3.22Å; I1765-F1777 HydrophobicContact CG2-CD2 4.3Å; I1765-F1777 HydrophobicContact CG2-CE2 3.93Å; I1765-V1781 HydrophobicContact CD1-CG2 4.11Å; I1765-V1781 HydrophobicContact CG1-CG2 4.36Å; I1765-L1784 HydrophobicContact CD1-CD1 3.4Å; I1765-L1784 VanDerWaalsContact CD1-CD1 3.41Å; I1765-L1784 HydrophobicContact CD1-CD2 4.32Å; I1765-L1784 HydrophobicContact CD1-CG 4.49Å; I1765-F2022 HydrophobicContact CB-CZ 4.14Å; I1765-F2022 HydrophobicContact CG2-CE2 4.03Å; I1765-F2022 HydrophobicContact CG2-CZ 3.98Å |
| 1766 | P | 81.9 | Confident | 83 | Confident | 37.4 Ų | 37.4 | 52.6 Ų | 52.6 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -40.3 | -177.9 | -23.8 | 34 | 0 | 0 | 0 | 113.3 | L1762 S1768 I1769 S1770 L2019 F2022 | L1762-P1766 VanDerWaalsContact O-CD 3.27Å; L1762-P1766 WeakPolarHBondContact O-CD 3.39Å; P1766-S1768 PolarHBondContact O-N 3.24Å; P1766-I1769 PolarHBondContact O-N 3.03Å; P1766-S1770 PolarHBondContact O-N 3.22Å; P1766-S1770 VanDerWaalsContact O-N 3.12Å; P1766-S1770 PolarHBondContact O-OG 3.37Å; P1766-L2019 HydrophobicContact CB-CD1 3.71Å; P1766-L2019 HydrophobicContact CB-CD2 4.04Å; P1766-L2019 HydrophobicContact CG-CD1 4.14Å; P1766-F2022 HydrophobicContact CG-CD1 3.79Å; P1766-F2022 HydrophobicContact CG-CE1 3.43Å; P1766-F2022 VanDerWaalsContact CG-CE1 3.45Å; P1766-F2022 HydrophobicContact CG-CZ 4.09Å |
| 1767 | S | 80.9 | Confident | 83 | Confident | 56 Ų | 56 | 46.4 Ų | 46.4 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.6 | -35.6 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | N1763 V1764 I1765 I1769 S1770 D1771 | N1763-S1767 PolarHBondContact O-OG 3.08Å; V1764-S1767 PolarHBondContact O-N 3.12Å; V1764-S1767 PolarHBondContact O-OG 3.28Å; V1764-S1767 VanDerWaalsContact O-OG 3.05Å; I1765-S1767 VanDerWaalsContact C-N 3.32Å; I1765-S1767 PolarHBondContact O-N 3.11Å; S1767-I1769 VanDerWaalsContact C-N 3.33Å; S1767-I1769 PolarHBondContact O-N 3.09Å; S1767-S1770 WeakPolarHBondContact CA-OG 3.29Å; S1767-S1770 PolarHBondContact O-N 3.19Å; S1767-S1770 PolarHBondContact O-OG 3.03Å; S1767-D1771 VanDerWaalsContact O-CB 3.29Å; S1767-D1771 WeakPolarHBondContact O-CB 3.4Å; S1767-D1771 VanDerWaalsContact O-CG 3.29Å; S1767-D1771 PolarHBondContact O-N 3.16Å |
| 1768 | S | 80 | Confident | 82.7 | Confident | 2.4 Ų | 2.4 | 43.1 Ų | 43.1 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -32 | 177.6 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | V1764 I1765 P1766 N1772 K1773 F1777 | V1764-S1768 VanDerWaalsContact O-CB 3.23Å; V1764-S1768 WeakPolarHBondContact O-CB 3.3Å; V1764-S1768 PolarHBondContact O-N 3.16Å; V1764-S1768 PolarHBondContact O-OG 3.13Å; V1764-S1768 VanDerWaalsContact O-OG 3.07Å; I1765-S1768 PolarHBondContact O-N 3.2Å; I1765-S1768 PolarHBondContact O-OG 3.18Å; P1766-S1768 PolarHBondContact O-N 3.24Å; S1768-N1772 PolarHBondContact O-N 3.19Å; S1768-K1773 PolarHBondContact O-N 3.16Å; S1768-F1777 WeakPolarHBondContact OG-CA 3.4Å; S1768-F1777 WeakPolarHBondContact OG-CB 3.45Å |
| 1769 | I | 76.4 | Confident | 82.5 | Confident | 4.4 Ų | 4.4 | 48.9 Ų | 48.9 | 2% | 0.023 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.5 | -46.7 | 174.5 | -60.3 | 166.3 | 0 | 0 | 0 | 109.8 | F1692 I1765 P1766 S1767 D1771 N1772 F1777 I1989 I1990 H1993 | F1692-I1769 HydrophobicContact CE1-CG2 4.34Å; I1765-I1769 HydrophobicContact CG2-CD1 4.18Å; I1765-I1769 WeakPolarHBondContact O-CG1 3.32Å; I1765-I1769 PolarHBondContact O-N 3.22Å; P1766-I1769 PolarHBondContact O-N 3.03Å; S1767-I1769 VanDerWaalsContact C-N 3.33Å; S1767-I1769 PolarHBondContact O-N 3.09Å; I1769-D1771 VanDerWaalsContact C-N 3.28Å; I1769-D1771 PolarHBondContact O-N 3.15Å; I1769-N1772 PolarHBondContact O-N 3.23Å; I1769-N1772 VanDerWaalsContact O-N 3.15Å; I1769-N1772 PolarHBondContact O-OD1 3Å; I1769-F1777 HydrophobicContact CD1-CD2 4.19Å; I1769-F1777 HydrophobicContact CD1-CE2 3.87Å; I1769-F1777 HydrophobicContact CG1-CD2 3.78Å; I1769-F1777 HydrophobicContact CG1-CE2 3.95Å; I1769-I1989 HydrophobicContact CB-CG2 4.48Å; I1769-I1989 HydrophobicContact CD1-CB 4.08Å; I1769-I1989 HydrophobicContact CD1-CG2 3.72Å; I1769-I1989 HydrophobicContact CG2-CG2 4.09Å; I1769-I1990 HydrophobicContact CD1-CG1 4.02Å; I1769-I1990 HydrophobicContact CG1-CG1 4.17Å; I1769-I1990 HydrophobicContact CG2-CG1 4.37Å; I1769-H1993 HydrophobicContact CG2-CB 4.12Å; I1769-H1993 PolarHBondContact O-NE2 3.17Å |
| 1770 | S | 76.4 | Confident | 82.5 | Confident | 71.4 Ų | 71.4 | 47.2 Ų | 47.2 | 50% | 0.499 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -32.5 | 178.9 | 47.1 | 0 | 0 | 0 | 0 | 113.4 | P1766 S1767 N1772 | P1766-S1770 PolarHBondContact O-N 3.22Å; P1766-S1770 VanDerWaalsContact O-N 3.12Å; P1766-S1770 PolarHBondContact O-OG 3.37Å; S1767-S1770 WeakPolarHBondContact CA-OG 3.29Å; S1767-S1770 PolarHBondContact O-N 3.19Å; S1767-S1770 PolarHBondContact O-OG 3.03Å; S1770-N1772 VanDerWaalsContact C-N 3.33Å |
| 1771 | D | 77.2 | Confident | 82.4 | Confident | 88.2 Ų | 88.2 | 44.6 Ų | 44.6 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2 | 179.4 | -76.4 | 6.4 | 0 | 0 | 0 | 113.7 | S1767 I1769 K1773 | S1767-D1771 VanDerWaalsContact O-CB 3.29Å; S1767-D1771 WeakPolarHBondContact O-CB 3.4Å; S1767-D1771 VanDerWaalsContact O-CG 3.29Å; S1767-D1771 PolarHBondContact O-N 3.16Å; I1769-D1771 VanDerWaalsContact C-N 3.28Å; I1769-D1771 PolarHBondContact O-N 3.15Å; D1771-K1773 VanDerWaalsContact C-N 3.28Å; D1771-K1773 HydrophobicContact CB-CB 4.5Å; D1771-K1773 HydrophobicContact CB-CD 3.95Å; D1771-K1773 HydrophobicContact CB-CG 3.99Å; D1771-K1773 PolarHBondContact O-N 3.19Å; D1771-K1773 IonicContact OD2-NZ 3.17Å; D1771-K1773 PolarHBondContact OD2-NZ 3.17Å |
| 1772 | N | 73.7 | Confident | 82.2 | Confident | 66.6 Ų | 66.6 | 46.9 Ų | 46.9 | 36% | 0.356 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 33.3 | -172.7 | -63.8 | -33 | 0 | 0 | 0 | 114.3 | L1688 F1692 S1768 I1769 S1770 A1774 H1993 | L1688-N1772 HydrophobicContact CD1-CB 4.11Å; F1692-N1772 WeakPolarHBondContact CZ-OD1 3.32Å; S1768-N1772 PolarHBondContact O-N 3.19Å; I1769-N1772 PolarHBondContact O-N 3.23Å; I1769-N1772 VanDerWaalsContact O-N 3.15Å; I1769-N1772 PolarHBondContact O-OD1 3Å; S1770-N1772 VanDerWaalsContact C-N 3.33Å; N1772-A1774 PolarHBondContact O-N 3.15Å; N1772-H1993 PolarHBondContact OD1-NE2 3.26Å |
| 1773 | K | 79.7 | Confident | 82.1 | Confident | 100.4 Ų | 100.4 | 46.6 Ų | 46.6 | 44% | 0.437 | 27% | 0.267 | S | S | . | . | trans | -96.5 | 79.9 | -179.1 | -70.3 | 174.5 | -171.8 | 150.2 | 0 | 111.5 | S1768 D1771 G1775 L1776 F1777 | S1768-K1773 PolarHBondContact O-N 3.16Å; D1771-K1773 VanDerWaalsContact C-N 3.28Å; D1771-K1773 HydrophobicContact CB-CB 4.5Å; D1771-K1773 HydrophobicContact CB-CD 3.95Å; D1771-K1773 HydrophobicContact CB-CG 3.99Å; D1771-K1773 PolarHBondContact O-N 3.19Å; D1771-K1773 IonicContact OD2-NZ 3.17Å; D1771-K1773 PolarHBondContact OD2-NZ 3.17Å; K1773-G1775 VanDerWaalsContact C-N 3.28Å; K1773-G1775 PolarHBondContact O-N 3.19Å; K1773-G1775 VanDerWaalsContact O-N 3.16Å; K1773-L1776 HydrophobicContact CB-CB 4.41Å; K1773-L1776 HydrophobicContact CB-CD1 4.31Å; K1773-L1776 HydrophobicContact CB-CG 4.44Å; K1773-L1776 HydrophobicContact CD-CD1 3.79Å; K1773-L1776 PolarHBondContact O-N 3.19Å; K1773-L1776 VanDerWaalsContact O-N 3.15Å; K1773-F1777 PolarHBondContact O-N 3.04Å | ||
| 1774 | A | 78.3 | Confident | 82.2 | Confident | 18.4 Ų | 18.4 | 41.8 Ų | 41.8 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.6 | -39.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1691 M1695 N1772 L1776 F1777 I1778 | T1691-A1774 HydrophobicContact CG2-CB 4.47Å; M1695-A1774 HydrophobicContact CE-CB 3.85Å; M1695-A1774 VanDerWaalsContact CE-N 3.34Å; M1695-A1774 HydrophobicContact CG-CB 4.08Å; M1695-A1774 VanDerWaalsContact SD-CA 3.52Å; M1695-A1774 HydrophobicContact SD-CB 3.81Å; N1772-A1774 PolarHBondContact O-N 3.15Å; A1774-L1776 PolarHBondContact O-N 3.22Å; A1774-F1777 PolarHBondContact O-N 3.09Å; A1774-I1778 HydrophobicContact CB-CD1 4.33Å; A1774-I1778 WeakPolarHBondContact O-CB 3.4Å; A1774-I1778 VanDerWaalsContact O-CD1 3.3Å; A1774-I1778 WeakPolarHBondContact O-CD1 3.32Å; A1774-I1778 VanDerWaalsContact O-CG1 3.26Å; A1774-I1778 WeakPolarHBondContact O-CG1 3.4Å; A1774-I1778 PolarHBondContact O-N 3.19Å |
| 1775 | G | 80.8 | Confident | 82.1 | Confident | 54.6 Ų | 54.6 | 39.9 Ų | 39.9 | 56% | 0.563 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.5 | -44.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1773 Q1779 | K1773-G1775 VanDerWaalsContact C-N 3.28Å; K1773-G1775 PolarHBondContact O-N 3.19Å; K1773-G1775 VanDerWaalsContact O-N 3.16Å; G1775-Q1779 WeakPolarHBondContact O-CB 3.38Å; G1775-Q1779 PolarHBondContact O-N 2.99Å |
| 1776 | L | 83.2 | Confident | 82.1 | Confident | 78.8 Ų | 78.8 | 46.3 Ų | 46.3 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.5 | -37.9 | 179.3 | -69.3 | 178.6 | 0 | 0 | 0 | 111.8 | V1764 K1773 A1774 I1778 Q1779 S1780 | V1764-L1776 HydrophobicContact CG1-CB 4.42Å; K1773-L1776 HydrophobicContact CB-CB 4.41Å; K1773-L1776 HydrophobicContact CB-CD1 4.31Å; K1773-L1776 HydrophobicContact CB-CG 4.44Å; K1773-L1776 HydrophobicContact CD-CD1 3.79Å; K1773-L1776 PolarHBondContact O-N 3.19Å; K1773-L1776 VanDerWaalsContact O-N 3.15Å; A1774-L1776 PolarHBondContact O-N 3.22Å; L1776-I1778 PolarHBondContact O-N 3.35Å; L1776-Q1779 PolarHBondContact O-N 3.28Å; L1776-S1780 WeakPolarHBondContact O-CB 3.36Å; L1776-S1780 PolarHBondContact O-N 3.08Å; L1776-S1780 PolarHBondContact O-OG 3.25Å; L1776-S1780 VanDerWaalsContact O-OG 3.14Å |
| 1777 | F | 86.5 | Confident | 82.4 | Confident | 0.2 Ų | 0.2 | 44.6 Ų | 44.6 | 0% | 0.001 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -53.5 | 174.2 | 176.8 | -96.4 | 0 | 0 | 0 | 110.7 | M1695 C1699 I1765 S1768 I1769 K1773 A1774 Q1779 S1780 V1781 I1990 | M1695-F1777 HydrophobicContact CB-CD1 3.82Å; M1695-F1777 HydrophobicContact CB-CE1 3.83Å; M1695-F1777 HydrophobicContact CB-CG 4.47Å; M1695-F1777 HydrophobicContact CB-CZ 4.47Å; M1695-F1777 HydrophobicContact CE-CB 4.38Å; M1695-F1777 HydrophobicContact CG-CB 4.41Å; M1695-F1777 HydrophobicContact CG-CD1 3.65Å; M1695-F1777 HydrophobicContact CG-CE1 4.2Å; M1695-F1777 HydrophobicContact CG-CG 4.25Å; M1695-F1777 HydrophobicContact SD-CB 4.07Å; M1695-F1777 HydrophobicContact SD-CD1 3.86Å; M1695-F1777 HydrophobicContact SD-CE1 4.43Å; M1695-F1777 HydrophobicContact SD-CG 3.97Å; C1699-F1777 VanDerWaalsContact SG-CZ 3.54Å; I1765-F1777 HydrophobicContact CG2-CD2 4.3Å; I1765-F1777 HydrophobicContact CG2-CE2 3.93Å; S1768-F1777 WeakPolarHBondContact OG-CA 3.4Å; S1768-F1777 WeakPolarHBondContact OG-CB 3.45Å; I1769-F1777 HydrophobicContact CD1-CD2 4.19Å; I1769-F1777 HydrophobicContact CD1-CE2 3.87Å; I1769-F1777 HydrophobicContact CG1-CD2 3.78Å; I1769-F1777 HydrophobicContact CG1-CE2 3.95Å; K1773-F1777 PolarHBondContact O-N 3.04Å; A1774-F1777 PolarHBondContact O-N 3.09Å; F1777-Q1779 VanDerWaalsContact C-N 3.3Å; F1777-Q1779 PolarHBondContact O-N 3.22Å; F1777-S1780 PolarHBondContact O-N 3.26Å; F1777-S1780 VanDerWaalsContact O-N 3.15Å; F1777-V1781 HydrophobicContact CD1-CG2 4.15Å; F1777-V1781 HydrophobicContact CD2-CG2 4.22Å; F1777-V1781 HydrophobicContact CE1-CG2 3.72Å; F1777-V1781 HydrophobicContact CE2-CG2 3.8Å; F1777-V1781 HydrophobicContact CG-CG2 4.39Å; F1777-V1781 HydrophobicContact CZ-CG2 3.53Å; F1777-V1781 VanDerWaalsContact CZ-CG2 3.48Å; F1777-V1781 VanDerWaalsContact O-CB 3.27Å; F1777-V1781 WeakPolarHBondContact O-CB 3.32Å; F1777-V1781 WeakPolarHBondContact O-CG2 3.36Å; F1777-V1781 PolarHBondContact O-N 3.09Å; F1777-I1990 HydrophobicContact CE1-CD1 3.86Å; F1777-I1990 HydrophobicContact CE2-CD1 4.1Å; F1777-I1990 HydrophobicContact CZ-CD1 3.5Å; F1777-I1990 VanDerWaalsContact CZ-CD1 3.43Å; F1777-I1990 HydrophobicContact CZ-CG1 4.46Å |
| 1778 | I | 82.8 | Confident | 82.8 | Confident | 19.2 Ų | 19.2 | 42 Ų | 42 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | -177.7 | -64.6 | 161.9 | 0 | 0 | 0 | 111 | H1694 M1695 Q1698 A1774 L1776 S1780 V1781 K1782 | H1694-I1778 VanDerWaalsContact CE1-CD1 3.4Å; H1694-I1778 WeakPolarHBondContact CE1-CD1 3.31Å; H1694-I1778 WeakPolarHBondContact ND1-CD1 3.32Å; M1695-I1778 HydrophobicContact CG-CD1 4.25Å; M1695-I1778 HydrophobicContact CG-CG1 4.14Å; Q1698-I1778 HydrophobicContact CB-CG1 4.45Å; Q1698-I1778 HydrophobicContact CB-CG2 4.39Å; Q1698-I1778 HydrophobicContact CG-CD1 4.36Å; Q1698-I1778 HydrophobicContact CG-CG1 4.25Å; Q1698-I1778 HydrophobicContact CG-CG2 4.2Å; A1774-I1778 HydrophobicContact CB-CD1 4.33Å; A1774-I1778 WeakPolarHBondContact O-CB 3.4Å; A1774-I1778 VanDerWaalsContact O-CD1 3.3Å; A1774-I1778 WeakPolarHBondContact O-CD1 3.32Å; A1774-I1778 VanDerWaalsContact O-CG1 3.26Å; A1774-I1778 WeakPolarHBondContact O-CG1 3.4Å; A1774-I1778 PolarHBondContact O-N 3.19Å; L1776-I1778 PolarHBondContact O-N 3.35Å; I1778-S1780 VanDerWaalsContact C-N 3.31Å; I1778-S1780 PolarHBondContact O-N 3.31Å; I1778-V1781 PolarHBondContact O-N 3.34Å; I1778-K1782 HydrophobicContact CG2-CD 3.95Å; I1778-K1782 HydrophobicContact CG2-CG 4.34Å; I1778-K1782 VanDerWaalsContact O-CB 3.28Å; I1778-K1782 WeakPolarHBondContact O-CB 3.4Å; I1778-K1782 VanDerWaalsContact O-CG 3.29Å; I1778-K1782 WeakPolarHBondContact O-CG 3.31Å; I1778-K1782 PolarHBondContact O-N 3.23Å |
| 1779 | Q | 85.9 | Confident | 83 | Confident | 129.4 Ų | 129.4 | 44.2 Ų | 44.2 | 61% | 0.605 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.1 | -42.6 | 175.7 | -174.9 | 177.6 | -1.5 | 0 | 0 | 111.6 | G1775 L1776 F1777 G1783 | G1775-Q1779 WeakPolarHBondContact O-CB 3.38Å; G1775-Q1779 PolarHBondContact O-N 2.99Å; L1776-Q1779 PolarHBondContact O-N 3.28Å; F1777-Q1779 VanDerWaalsContact C-N 3.3Å; F1777-Q1779 PolarHBondContact O-N 3.22Å; Q1779-G1783 PolarHBondContact O-N 3.18Å |
| 1780 | S | 86.8 | Confident | 83.5 | Confident | 7.4 Ų | 7.4 | 47.2 Ų | 47.2 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 179.7 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | V1764 L1776 F1777 I1778 G1783 L1784 | V1764-S1780 WeakPolarHBondContact CB-OG 3.31Å; V1764-S1780 VanDerWaalsContact CG1-OG 3.28Å; V1764-S1780 WeakPolarHBondContact CG1-OG 3.33Å; L1776-S1780 WeakPolarHBondContact O-CB 3.36Å; L1776-S1780 PolarHBondContact O-N 3.08Å; L1776-S1780 PolarHBondContact O-OG 3.25Å; L1776-S1780 VanDerWaalsContact O-OG 3.14Å; F1777-S1780 PolarHBondContact O-N 3.26Å; F1777-S1780 VanDerWaalsContact O-N 3.15Å; I1778-S1780 VanDerWaalsContact C-N 3.31Å; I1778-S1780 PolarHBondContact O-N 3.31Å; S1780-G1783 PolarHBondContact O-N 3.06Å; S1780-L1784 WeakPolarHBondContact O-CB 3.39Å; S1780-L1784 WeakPolarHBondContact O-CG 3.23Å; S1780-L1784 PolarHBondContact O-N 3.07Å |
| 1781 | V | 86.5 | Confident | 84 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -41.4 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 111 | L1702 I1765 F1777 I1778 G1783 L1784 A1785 I1983 | L1702-V1781 HydrophobicContact CB-CG1 4.39Å; L1702-V1781 VanDerWaalsContact CD1-C 3.42Å; L1702-V1781 HydrophobicContact CD1-CB 4.22Å; L1702-V1781 HydrophobicContact CD1-CG1 3.42Å; L1702-V1781 VanDerWaalsContact CD1-CG1 3.47Å; L1702-V1781 WeakPolarHBondContact CD1-O 3.33Å; L1702-V1781 HydrophobicContact CG-CG1 4.32Å; I1765-V1781 HydrophobicContact CD1-CG2 4.11Å; I1765-V1781 HydrophobicContact CG1-CG2 4.36Å; F1777-V1781 HydrophobicContact CD1-CG2 4.15Å; F1777-V1781 HydrophobicContact CD2-CG2 4.22Å; F1777-V1781 HydrophobicContact CE1-CG2 3.72Å; F1777-V1781 HydrophobicContact CE2-CG2 3.8Å; F1777-V1781 HydrophobicContact CG-CG2 4.39Å; F1777-V1781 HydrophobicContact CZ-CG2 3.53Å; F1777-V1781 VanDerWaalsContact CZ-CG2 3.48Å; F1777-V1781 VanDerWaalsContact O-CB 3.27Å; F1777-V1781 WeakPolarHBondContact O-CB 3.32Å; F1777-V1781 WeakPolarHBondContact O-CG2 3.36Å; F1777-V1781 PolarHBondContact O-N 3.09Å; I1778-V1781 PolarHBondContact O-N 3.34Å; V1781-G1783 VanDerWaalsContact C-N 3.34Å; V1781-G1783 PolarHBondContact O-N 3.17Å; V1781-L1784 WeakPolarHBondContact O-CB 3.46Å; V1781-L1784 PolarHBondContact O-N 3.01Å; V1781-A1785 PolarHBondContact O-N 3.08Å; V1781-A1785 VanDerWaalsContact O-N 3.14Å; V1781-I1983 HydrophobicContact CG1-CD1 3.93Å; V1781-I1983 HydrophobicContact CG1-CG1 4.06Å; V1781-I1983 HydrophobicContact CG1-CG2 4.13Å |
| 1782 | K | 84.3 | Confident | 84.4 | Confident | 87 Ų | 87 | 40.3 Ų | 40.3 | 38% | 0.378 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 171.9 | -75.6 | -179.6 | 179.3 | 179.8 | 0 | 112 | L1702 I1778 L1784 A1785 Q1786 | L1702-K1782 HydrophobicContact CD1-CB 4.49Å; L1702-K1782 HydrophobicContact CD1-CG 3.95Å; L1702-K1782 HydrophobicContact CD2-CG 4.45Å; I1778-K1782 HydrophobicContact CG2-CD 3.95Å; I1778-K1782 HydrophobicContact CG2-CG 4.34Å; I1778-K1782 VanDerWaalsContact O-CB 3.28Å; I1778-K1782 WeakPolarHBondContact O-CB 3.4Å; I1778-K1782 VanDerWaalsContact O-CG 3.29Å; I1778-K1782 WeakPolarHBondContact O-CG 3.31Å; I1778-K1782 PolarHBondContact O-N 3.23Å; K1782-L1784 VanDerWaalsContact C-N 3.33Å; K1782-L1784 PolarHBondContact O-N 3.41Å; K1782-A1785 PolarHBondContact O-N 3.09Å; K1782-Q1786 WeakPolarHBondContact O-CG 3.36Å; K1782-Q1786 PolarHBondContact O-N 3.28Å; K1782-Q1786 VanDerWaalsContact O-N 3.13Å |
| 1783 | G | 85.7 | Confident | 84.9 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1779 S1780 V1781 A1785 Q1786 V1787 | Q1779-G1783 PolarHBondContact O-N 3.18Å; S1780-G1783 PolarHBondContact O-N 3.06Å; V1781-G1783 VanDerWaalsContact C-N 3.34Å; V1781-G1783 PolarHBondContact O-N 3.17Å; G1783-A1785 VanDerWaalsContact C-N 3.32Å; G1783-A1785 PolarHBondContact O-N 2.96Å; G1783-Q1786 WeakPolarHBondContact O-CA 3.5Å; G1783-Q1786 WeakPolarHBondContact O-CB 3.43Å; G1783-Q1786 PolarHBondContact O-N 3.23Å; G1783-Q1786 VanDerWaalsContact O-N 3.09Å; G1783-V1787 WeakPolarHBondContact O-CB 3.34Å; G1783-V1787 VanDerWaalsContact O-CG2 3.28Å; G1783-V1787 WeakPolarHBondContact O-CG2 3.38Å; G1783-V1787 PolarHBondContact O-N 3.22Å |
| 1784 | L | 87.8 | Confident | 85.2 | Confident | 0.4 Ų | 0.4 | 36.1 Ų | 36.1 | 0% | 0.002 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.2 | -44.2 | 176.4 | -130.5 | 107.2 | 0 | 0 | 0 | 112.7 | F1758 H1761 L1762 I1765 S1780 V1781 K1782 Q1786 V1787 T1788 I1979 I1983 | F1758-L1784 HydrophobicContact CD1-CD1 3.46Å; F1758-L1784 HydrophobicContact CD1-CD2 3.74Å; F1758-L1784 HydrophobicContact CD1-CG 4.49Å; F1758-L1784 HydrophobicContact CD2-CD1 3.38Å; F1758-L1784 HydrophobicContact CD2-CG 4.38Å; F1758-L1784 HydrophobicContact CE1-CD1 3.97Å; F1758-L1784 HydrophobicContact CE1-CD2 4.32Å; F1758-L1784 HydrophobicContact CE2-CD1 3.38Å; F1758-L1784 HydrophobicContact CE2-CG 4.18Å; F1758-L1784 HydrophobicContact CG-CD1 4.41Å; F1758-L1784 HydrophobicContact CZ-CD1 4.44Å; H1761-L1784 HydrophobicContact CB-CD1 4.32Å; H1761-L1784 HydrophobicContact CB-CD2 3.84Å; H1761-L1784 HydrophobicContact CB-CG 3.83Å; L1762-L1784 HydrophobicContact CD2-CD1 3.91Å; L1762-L1784 HydrophobicContact CD2-CD2 4.12Å; L1762-L1784 HydrophobicContact CG-CD1 4.25Å; L1762-L1784 HydrophobicContact CG-CD2 4.08Å; I1765-L1784 HydrophobicContact CD1-CD1 3.4Å; I1765-L1784 VanDerWaalsContact CD1-CD1 3.41Å; I1765-L1784 HydrophobicContact CD1-CD2 4.32Å; I1765-L1784 HydrophobicContact CD1-CG 4.49Å; S1780-L1784 WeakPolarHBondContact O-CB 3.39Å; S1780-L1784 WeakPolarHBondContact O-CG 3.23Å; S1780-L1784 PolarHBondContact O-N 3.07Å; V1781-L1784 WeakPolarHBondContact O-CB 3.46Å; V1781-L1784 PolarHBondContact O-N 3.01Å; K1782-L1784 VanDerWaalsContact C-N 3.33Å; K1782-L1784 PolarHBondContact O-N 3.41Å; L1784-Q1786 VanDerWaalsContact C-N 3.32Å; L1784-Q1786 PolarHBondContact O-N 3Å; L1784-V1787 PolarHBondContact O-N 2.89Å; L1784-T1788 WeakPolarHBondContact O-CB 3.4Å; L1784-T1788 PolarHBondContact O-N 2.93Å; L1784-T1788 PolarHBondContact O-OG1 3.02Å; L1784-I1979 HydrophobicContact CD1-CD1 4.31Å; L1784-I1979 HydrophobicContact CD1-CG1 4.39Å; L1784-I1979 HydrophobicContact CD1-CG2 3.91Å; L1784-I1979 HydrophobicContact CD2-CG2 3.71Å; L1784-I1979 HydrophobicContact CG-CG2 3.64Å; L1784-I1983 HydrophobicContact CD1-CD1 4.47Å; L1784-I1983 HydrophobicContact CD2-CD1 4.33Å; L1784-I1983 HydrophobicContact CD2-CG1 3.96Å |
| 1785 | A | 84.1 | Confident | 85.6 | Confident | 7.4 Ų | 7.4 | 35.4 Ų | 35.4 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1702 L1706 V1781 K1782 G1783 T1788 N1789 | L1702-A1785 HydrophobicContact CB-CB 4.39Å; L1702-A1785 HydrophobicContact CD1-CB 3.99Å; L1702-A1785 HydrophobicContact CD2-CB 3.73Å; L1702-A1785 HydrophobicContact CG-CB 4.23Å; L1706-A1785 HydrophobicContact CD1-CB 4.33Å; L1706-A1785 HydrophobicContact CD2-CB 4.44Å; L1706-A1785 HydrophobicContact CG-CB 4.44Å; V1781-A1785 PolarHBondContact O-N 3.08Å; V1781-A1785 VanDerWaalsContact O-N 3.14Å; K1782-A1785 PolarHBondContact O-N 3.09Å; G1783-A1785 VanDerWaalsContact C-N 3.32Å; G1783-A1785 PolarHBondContact O-N 2.96Å; A1785-T1788 PolarHBondContact O-N 3.13Å; A1785-N1789 WeakPolarHBondContact O-CB 3.3Å; A1785-N1789 PolarHBondContact O-N 3.26Å; A1785-N1789 PolarHBondContact O-ND2 2.88Å; A1785-N1789 PolarHBondContact O-OD1 3.15Å; A1785-N1789 VanDerWaalsContact O-OD1 3.13Å |
| 1786 | Q | 86.1 | Confident | 85.7 | Confident | 134.8 Ų | 134.8 | 35.4 Ų | 35.4 | 63% | 0.63 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -65.2 | -45.9 | 175.9 | -72.7 | 174 | -14.6 | 0 | 0 | 111.5 | K1782 G1783 L1784 T1788 N1789 H1790 | K1782-Q1786 WeakPolarHBondContact O-CG 3.36Å; K1782-Q1786 PolarHBondContact O-N 3.28Å; K1782-Q1786 VanDerWaalsContact O-N 3.13Å; G1783-Q1786 WeakPolarHBondContact O-CA 3.5Å; G1783-Q1786 WeakPolarHBondContact O-CB 3.43Å; G1783-Q1786 PolarHBondContact O-N 3.23Å; G1783-Q1786 VanDerWaalsContact O-N 3.09Å; L1784-Q1786 VanDerWaalsContact C-N 3.32Å; L1784-Q1786 PolarHBondContact O-N 3Å; Q1786-T1788 VanDerWaalsContact C-N 3.3Å; Q1786-T1788 PolarHBondContact O-N 3.22Å; Q1786-N1789 WeakPolarHBondContact O-CB 3.39Å; Q1786-N1789 PolarHBondContact O-N 3.15Å; Q1786-H1790 WeakPolarHBondContact O-CB 3.37Å; Q1786-H1790 PolarHBondContact O-N 3.06Å |
| 1787 | V | 88.4 | Confident | 85.8 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | I1754 E1757 F1758 G1783 L1784 N1789 H1790 L1791 | I1754-V1787 HydrophobicContact CB-CG1 4.34Å; I1754-V1787 HydrophobicContact CG1-CG1 4.33Å; I1754-V1787 HydrophobicContact CG2-CG1 3.62Å; E1757-V1787 HydrophobicContact CB-CG1 4.28Å; E1757-V1787 HydrophobicContact CB-CG2 4.26Å; E1757-V1787 HydrophobicContact CG-CG1 4.45Å; E1757-V1787 HydrophobicContact CG-CG2 3.66Å; E1757-V1787 WeakPolarHBondContact OE1-CG2 3.33Å; F1758-V1787 HydrophobicContact CB-CG1 3.8Å; F1758-V1787 HydrophobicContact CD1-CB 3.94Å; F1758-V1787 HydrophobicContact CD1-CG1 3.53Å; F1758-V1787 VanDerWaalsContact CD1-CG1 3.47Å; F1758-V1787 HydrophobicContact CD2-CG1 4.33Å; F1758-V1787 HydrophobicContact CE1-CB 3.57Å; F1758-V1787 HydrophobicContact CE1-CG1 3.28Å; F1758-V1787 HydrophobicContact CE2-CG1 4.16Å; F1758-V1787 HydrophobicContact CG-CG1 4.15Å; F1758-V1787 HydrophobicContact CZ-CB 4.26Å; F1758-V1787 HydrophobicContact CZ-CG1 3.62Å; G1783-V1787 WeakPolarHBondContact O-CB 3.34Å; G1783-V1787 VanDerWaalsContact O-CG2 3.28Å; G1783-V1787 WeakPolarHBondContact O-CG2 3.38Å; G1783-V1787 PolarHBondContact O-N 3.22Å; L1784-V1787 PolarHBondContact O-N 2.89Å; V1787-N1789 PolarHBondContact O-N 3.37Å; V1787-H1790 WeakPolarHBondContact O-CB 3.35Å; V1787-H1790 PolarHBondContact O-N 3.32Å; V1787-L1791 WeakPolarHBondContact O-CB 3.37Å; V1787-L1791 PolarHBondContact O-N 3.29Å |
| 1788 | T | 87.9 | Confident | 85.8 | Confident | 0.2 Ų | 0.2 | 32.1 Ų | 32.1 | 0% | 0.001 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 174.8 | -51.2 | 0 | 0 | 0 | 0 | 112 | L1706 L1784 A1785 Q1786 H1790 L1791 V1792 A1976 I1979 | L1706-T1788 HydrophobicContact CD2-CG2 3.57Å; L1706-T1788 VanDerWaalsContact CD2-CG2 3.4Å; L1784-T1788 WeakPolarHBondContact O-CB 3.4Å; L1784-T1788 PolarHBondContact O-N 2.93Å; L1784-T1788 PolarHBondContact O-OG1 3.02Å; A1785-T1788 PolarHBondContact O-N 3.13Å; Q1786-T1788 VanDerWaalsContact C-N 3.3Å; Q1786-T1788 PolarHBondContact O-N 3.22Å; T1788-H1790 VanDerWaalsContact C-N 3.28Å; T1788-H1790 PolarHBondContact O-N 3.08Å; T1788-L1791 WeakPolarHBondContact O-CB 3.34Å; T1788-L1791 PolarHBondContact O-N 3Å; T1788-V1792 HydrophobicContact CG2-CG2 4.47Å; T1788-V1792 WeakPolarHBondContact O-CG2 3.37Å; T1788-V1792 PolarHBondContact O-N 3.15Å; T1788-A1976 HydrophobicContact CG2-CB 4.01Å; T1788-I1979 HydrophobicContact CG2-CD1 3.88Å; T1788-I1979 WeakPolarHBondContact OG1-CD1 3.3Å; T1788-I1979 WeakPolarHBondContact OG1-CG2 3.44Å |
| 1789 | N | 84.6 | Confident | 85.9 | Confident | 49.2 Ų | 49.2 | 31.2 Ų | 31.2 | 26% | 0.263 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61 | -42.3 | 176 | -106.9 | -8.5 | 0 | 0 | 0 | 110.8 | L1709 A1785 Q1786 V1787 V1792 Q1793 | L1709-N1789 HydrophobicContact CD1-CB 4.42Å; L1709-N1789 VanDerWaalsContact CD1-CG 3.47Å; L1709-N1789 WeakPolarHBondContact CD1-OD1 3.33Å; L1709-N1789 WeakPolarHBondContact CD2-OD1 3.43Å; A1785-N1789 WeakPolarHBondContact O-CB 3.3Å; A1785-N1789 PolarHBondContact O-N 3.26Å; A1785-N1789 PolarHBondContact O-ND2 2.88Å; A1785-N1789 PolarHBondContact O-OD1 3.15Å; A1785-N1789 VanDerWaalsContact O-OD1 3.13Å; Q1786-N1789 WeakPolarHBondContact O-CB 3.39Å; Q1786-N1789 PolarHBondContact O-N 3.15Å; V1787-N1789 PolarHBondContact O-N 3.37Å; N1789-V1792 PolarHBondContact O-N 3.11Å; N1789-Q1793 VanDerWaalsContact O-CG 3.29Å; N1789-Q1793 WeakPolarHBondContact O-CG 3.4Å; N1789-Q1793 PolarHBondContact O-N 2.97Å; N1789-Q1793 PolarHBondContact OD1-NE2 3.41Å; N1789-Q1793 VanDerWaalsContact OD1-NE2 3.11Å |
| 1790 | H | 86.3 | Confident | 85.8 | Confident | 68.2 Ų | 68.2 | 25.5 Ų | 25.5 | 32% | 0.316 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.5 | -168.2 | 46.4 | 0 | 0 | 0 | 111.6 | I1754 Q1786 V1787 T1788 V1792 Q1793 I1794 | I1754-H1790 HydrophobicContact CD1-CB 4.19Å; I1754-H1790 WeakPolarHBondContact CD1-CD2 3.14Å; I1754-H1790 HydrophobicContact CG1-CB 4.45Å; I1754-H1790 WeakPolarHBondContact CG1-CD2 3.06Å; Q1786-H1790 WeakPolarHBondContact O-CB 3.37Å; Q1786-H1790 PolarHBondContact O-N 3.06Å; V1787-H1790 WeakPolarHBondContact O-CB 3.35Å; V1787-H1790 PolarHBondContact O-N 3.32Å; T1788-H1790 VanDerWaalsContact C-N 3.28Å; T1788-H1790 PolarHBondContact O-N 3.08Å; H1790-V1792 VanDerWaalsContact C-N 3.35Å; H1790-V1792 PolarHBondContact O-N 3.14Å; H1790-Q1793 WeakPolarHBondContact O-CB 3.35Å; H1790-Q1793 PolarHBondContact O-N 3.17Å; H1790-Q1793 VanDerWaalsContact O-N 3.16Å; H1790-I1794 VanDerWaalsContact NE2-CD1 3.31Å; H1790-I1794 WeakPolarHBondContact NE2-CD1 3.33Å; H1790-I1794 WeakPolarHBondContact O-CG1 3.4Å; H1790-I1794 PolarHBondContact O-N 3.12Å |
| 1791 | L | 88.7 | Confident | 85.8 | Confident | 4.4 Ų | 4.4 | 25.7 Ų | 25.7 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 175 | -176.9 | 71.7 | 0 | 0 | 0 | 112 | V1751 I1754 F1758 V1787 T1788 Q1793 I1794 T1795 V1975 L2036 | V1751-L1791 HydrophobicContact CB-CD1 4.47Å; V1751-L1791 HydrophobicContact CG1-CD1 4.27Å; V1751-L1791 HydrophobicContact CG2-CD1 4.19Å; I1754-L1791 HydrophobicContact CB-CD1 4.49Å; I1754-L1791 HydrophobicContact CD1-CB 4.24Å; I1754-L1791 HydrophobicContact CD1-CD1 4.01Å; I1754-L1791 HydrophobicContact CG2-CB 4.19Å; I1754-L1791 HydrophobicContact CG2-CD1 3.99Å; I1754-L1791 HydrophobicContact CG2-CG 4.49Å; F1758-L1791 HydrophobicContact CE2-CD2 4.08Å; F1758-L1791 HydrophobicContact CZ-CB 4.41Å; F1758-L1791 HydrophobicContact CZ-CD2 4.24Å; V1787-L1791 WeakPolarHBondContact O-CB 3.37Å; V1787-L1791 PolarHBondContact O-N 3.29Å; T1788-L1791 WeakPolarHBondContact O-CB 3.34Å; T1788-L1791 PolarHBondContact O-N 3Å; L1791-Q1793 VanDerWaalsContact C-N 3.32Å; L1791-Q1793 PolarHBondContact O-N 3.17Å; L1791-I1794 PolarHBondContact O-N 3.06Å; L1791-I1794 VanDerWaalsContact O-N 3.13Å; L1791-T1795 HydrophobicContact CD1-CG2 4.36Å; L1791-T1795 HydrophobicContact CG-CG2 4.39Å; L1791-T1795 WeakPolarHBondContact O-CB 3.47Å; L1791-T1795 WeakPolarHBondContact O-CG2 3.41Å; L1791-T1795 PolarHBondContact O-N 3.12Å; L1791-T1795 PolarHBondContact O-OG1 3.15Å; L1791-T1795 VanDerWaalsContact O-OG1 3.13Å; L1791-V1975 HydrophobicContact CD2-CB 3.67Å; L1791-V1975 HydrophobicContact CD2-CG1 3.22Å; L1791-V1975 HydrophobicContact CD2-CG2 4.26Å; L1791-L2036 HydrophobicContact CD1-CD2 3.81Å; L1791-L2036 HydrophobicContact CD2-CD2 4.29Å; L1791-L2036 HydrophobicContact CG-CD2 4.35Å |
| 1792 | V | 84.3 | Confident | 85.7 | Confident | 8.8 Ų | 8.8 | 26.2 Ų | 26.2 | 5% | 0.053 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 178.9 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | T1788 N1789 H1790 I1794 T1795 Y1796 A1976 | T1788-V1792 HydrophobicContact CG2-CG2 4.47Å; T1788-V1792 WeakPolarHBondContact O-CG2 3.37Å; T1788-V1792 PolarHBondContact O-N 3.15Å; N1789-V1792 PolarHBondContact O-N 3.11Å; H1790-V1792 VanDerWaalsContact C-N 3.35Å; H1790-V1792 PolarHBondContact O-N 3.14Å; V1792-I1794 VanDerWaalsContact C-N 3.34Å; V1792-I1794 PolarHBondContact O-N 3.19Å; V1792-T1795 WeakPolarHBondContact CA-OG1 3.27Å; V1792-T1795 PolarHBondContact O-N 3.18Å; V1792-T1795 PolarHBondContact O-OG1 3.28Å; V1792-Y1796 HydrophobicContact CG1-CD1 4.31Å; V1792-Y1796 HydrophobicContact CG1-CD2 4.04Å; V1792-Y1796 HydrophobicContact CG1-CE1 3.89Å; V1792-Y1796 HydrophobicContact CG1-CE2 3.57Å; V1792-Y1796 VanDerWaalsContact CG1-CE2 3.41Å; V1792-Y1796 HydrophobicContact CG1-CG 4.4Å; V1792-Y1796 VanDerWaalsContact CG1-CZ 3.41Å; V1792-Y1796 WeakPolarHBondContact O-CB 3.37Å; V1792-Y1796 WeakPolarHBondContact O-CD1 3.39Å; V1792-Y1796 VanDerWaalsContact O-CG 3.28Å; V1792-Y1796 PolarHBondContact O-N 3.22Å; V1792-A1976 HydrophobicContact CG2-CB 4.41Å |
| 1793 | Q | 84.1 | Confident | 85.6 | Confident | 79.4 Ų | 79.4 | 22 Ų | 22 | 37% | 0.371 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 175.6 | -71.7 | 172.8 | -4.5 | 0 | 0 | 112.9 | I1739 N1789 H1790 L1791 Y1796 Q1797 | I1739-Q1793 HydrophobicContact CG2-CB 4.2Å; I1739-Q1793 HydrophobicContact CG2-CG 4.19Å; N1789-Q1793 VanDerWaalsContact O-CG 3.29Å; N1789-Q1793 WeakPolarHBondContact O-CG 3.4Å; N1789-Q1793 PolarHBondContact O-N 2.97Å; N1789-Q1793 PolarHBondContact OD1-NE2 3.41Å; N1789-Q1793 VanDerWaalsContact OD1-NE2 3.11Å; H1790-Q1793 WeakPolarHBondContact O-CB 3.35Å; H1790-Q1793 PolarHBondContact O-N 3.17Å; H1790-Q1793 VanDerWaalsContact O-N 3.16Å; L1791-Q1793 VanDerWaalsContact C-N 3.32Å; L1791-Q1793 PolarHBondContact O-N 3.17Å; Q1793-Y1796 PolarHBondContact O-N 3.15Å; Q1793-Q1797 WeakPolarHBondContact O-CB 3.28Å; Q1793-Q1797 PolarHBondContact O-N 3.19Å |
| 1794 | I | 86.3 | Confident | 85.4 | Confident | 0.4 Ų | 0.4 | 21.8 Ų | 21.8 | 0% | 0.002 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.6 | -41.2 | 177.2 | -68 | -161.3 | 0 | 0 | 0 | 111.3 | L1742 C1747 T1750 V1751 I1754 H1790 L1791 V1792 Y1796 Q1797 A1798 | L1742-I1794 HydrophobicContact CD1-CD1 3.64Å; L1742-I1794 HydrophobicContact CD1-CG1 4.02Å; C1747-I1794 HydrophobicContact CB-CG2 3.87Å; T1750-I1794 HydrophobicContact CG2-CD1 4.45Å; T1750-I1794 WeakPolarHBondContact OG1-CD1 3.43Å; V1751-I1794 HydrophobicContact CG2-CB 4.49Å; V1751-I1794 HydrophobicContact CG2-CG2 3.78Å; I1754-I1794 HydrophobicContact CD1-CD1 3.42Å; I1754-I1794 VanDerWaalsContact CD1-CD1 3.42Å; I1754-I1794 HydrophobicContact CD1-CG1 4.05Å; H1790-I1794 VanDerWaalsContact NE2-CD1 3.31Å; H1790-I1794 WeakPolarHBondContact NE2-CD1 3.33Å; H1790-I1794 WeakPolarHBondContact O-CG1 3.4Å; H1790-I1794 PolarHBondContact O-N 3.12Å; L1791-I1794 PolarHBondContact O-N 3.06Å; L1791-I1794 VanDerWaalsContact O-N 3.13Å; V1792-I1794 VanDerWaalsContact C-N 3.34Å; V1792-I1794 PolarHBondContact O-N 3.19Å; I1794-Y1796 VanDerWaalsContact C-N 3.28Å; I1794-Y1796 PolarHBondContact O-N 2.9Å; I1794-Q1797 PolarHBondContact O-N 3.2Å; I1794-A1798 WeakPolarHBondContact O-CB 3.36Å; I1794-A1798 PolarHBondContact O-N 3.11Å |
| 1795 | T | 86.2 | Confident | 85.1 | Confident | 4.2 Ų | 4.2 | 22.2 Ų | 22.2 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 176.6 | 18.6 | 0 | 0 | 0 | 0 | 111.3 | L1791 V1792 A1798 A1799 V1968 L1969 L2036 | L1791-T1795 HydrophobicContact CD1-CG2 4.36Å; L1791-T1795 HydrophobicContact CG-CG2 4.39Å; L1791-T1795 WeakPolarHBondContact O-CB 3.47Å; L1791-T1795 WeakPolarHBondContact O-CG2 3.41Å; L1791-T1795 PolarHBondContact O-N 3.12Å; L1791-T1795 PolarHBondContact O-OG1 3.15Å; L1791-T1795 VanDerWaalsContact O-OG1 3.13Å; V1792-T1795 WeakPolarHBondContact CA-OG1 3.27Å; V1792-T1795 PolarHBondContact O-N 3.18Å; V1792-T1795 PolarHBondContact O-OG1 3.28Å; T1795-A1798 PolarHBondContact O-N 3.26Å; T1795-A1799 VanDerWaalsContact O-CB 3.31Å; T1795-A1799 WeakPolarHBondContact O-CB 3.41Å; T1795-A1799 PolarHBondContact O-N 3.23Å; T1795-V1968 HydrophobicContact CG2-CG1 3.6Å; T1795-V1968 WeakPolarHBondContact CG2-O 3.47Å; T1795-L1969 HydrophobicContact CG2-CD2 4.43Å; T1795-L2036 HydrophobicContact CG2-CD1 4.18Å; T1795-L2036 HydrophobicContact CG2-CD2 3.52Å; T1795-L2036 HydrophobicContact CG2-CG 4.24Å |
| 1796 | Y | 84.1 | Confident | 85.1 | Confident | 55 Ų | 55 | 23.9 Ų | 23.9 | 22% | 0.216 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 176 | -72.7 | -1.4 | 0 | 0 | 0 | 112.3 | I1735 I1739 V1792 Q1793 I1794 A1799 Y1800 L1969 | I1735-Y1796 VanDerWaalsContact CD1-CA 3.49Å; I1735-Y1796 VanDerWaalsContact CD1-CB 3.47Å; I1735-Y1796 HydrophobicContact CD1-CD1 3.51Å; I1735-Y1796 HydrophobicContact CD1-CD2 4.11Å; I1735-Y1796 HydrophobicContact CD1-CE1 4.25Å; I1735-Y1796 HydrophobicContact CD1-CG 3.5Å; I1739-Y1796 HydrophobicContact CD1-CD2 3.65Å; I1739-Y1796 HydrophobicContact CD1-CG 3.95Å; V1792-Y1796 HydrophobicContact CG1-CD1 4.31Å; V1792-Y1796 HydrophobicContact CG1-CD2 4.04Å; V1792-Y1796 HydrophobicContact CG1-CE1 3.89Å; V1792-Y1796 HydrophobicContact CG1-CE2 3.57Å; V1792-Y1796 VanDerWaalsContact CG1-CE2 3.41Å; V1792-Y1796 HydrophobicContact CG1-CG 4.4Å; V1792-Y1796 VanDerWaalsContact CG1-CZ 3.41Å; V1792-Y1796 WeakPolarHBondContact O-CB 3.37Å; V1792-Y1796 WeakPolarHBondContact O-CD1 3.39Å; V1792-Y1796 VanDerWaalsContact O-CG 3.28Å; V1792-Y1796 PolarHBondContact O-N 3.22Å; Q1793-Y1796 PolarHBondContact O-N 3.15Å; I1794-Y1796 VanDerWaalsContact C-N 3.28Å; I1794-Y1796 PolarHBondContact O-N 2.9Å; Y1796-A1799 PolarHBondContact O-N 2.93Å; Y1796-Y1800 WeakPolarHBondContact O-CB 3.36Å; Y1796-Y1800 PolarHBondContact O-N 3.12Å; Y1796-L1969 HydrophobicContact CD1-CD2 3.34Å; Y1796-L1969 VanDerWaalsContact CD1-CD2 3.42Å; Y1796-L1969 HydrophobicContact CE1-CD2 3.61Å; Y1796-L1969 HydrophobicContact CG-CD2 4.45Å |
| 1797 | Q | 84.8 | Confident | 84.5 | Confident | 5.8 Ų | 5.8 | 19.3 Ų | 19.3 | 3% | 0.027 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 172.6 | -179.1 | 68.8 | 8.1 | 0 | 0 | 111.6 | N1740 L1742 Q1793 I1794 A1799 Y1800 L1801 | N1740-Q1797 HydrophobicContact CB-CG 4.34Å; N1740-Q1797 VanDerWaalsContact N-OE1 3.14Å; N1740-Q1797 VanDerWaalsContact O-CD 3.27Å; N1740-Q1797 PolarHBondContact O-NE2 3.2Å; N1740-Q1797 PolarHBondContact O-OE1 3.19Å; N1740-Q1797 WeakPolarHBondContact OD1-CG 3.3Å; N1740-Q1797 PolarHBondContact OD1-NE2 3.26Å; L1742-Q1797 PolarHBondContact O-NE2 3.11Å; Q1793-Q1797 WeakPolarHBondContact O-CB 3.28Å; Q1793-Q1797 PolarHBondContact O-N 3.19Å; I1794-Q1797 PolarHBondContact O-N 3.2Å; Q1797-A1799 VanDerWaalsContact C-N 3.34Å; Q1797-A1799 PolarHBondContact O-N 3.23Å; Q1797-Y1800 WeakPolarHBondContact O-CB 3.42Å; Q1797-Y1800 PolarHBondContact O-N 3.18Å; Q1797-L1801 HydrophobicContact CG-CD1 4.19Å; Q1797-L1801 HydrophobicContact CG-CG 4.43Å; Q1797-L1801 WeakPolarHBondContact O-CG 3.33Å; Q1797-L1801 PolarHBondContact O-N 3.12Å |
| 1798 | A | 86.5 | Confident | 83.8 | Confident | 2.2 Ų | 2.2 | 22.2 Ų | 22.2 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1744 C1747 I1794 T1795 Y1800 L1801 I1802 V1968 L2040 | Y1744-A1798 HydrophobicContact CE2-CB 4.31Å; C1747-A1798 HydrophobicContact CB-CB 4.28Å; I1794-A1798 WeakPolarHBondContact O-CB 3.36Å; I1794-A1798 PolarHBondContact O-N 3.11Å; T1795-A1798 PolarHBondContact O-N 3.26Å; A1798-Y1800 VanDerWaalsContact C-N 3.34Å; A1798-Y1800 PolarHBondContact O-N 3.02Å; A1798-L1801 PolarHBondContact O-N 2.98Å; A1798-I1802 WeakPolarHBondContact O-CD1 3.36Å; A1798-I1802 VanDerWaalsContact O-CG1 3.25Å; A1798-I1802 WeakPolarHBondContact O-CG1 3.38Å; A1798-I1802 PolarHBondContact O-N 3.18Å; A1798-V1968 HydrophobicContact CB-CG1 4.43Å; A1798-L2040 HydrophobicContact CB-CD2 3.6Å |
| 1799 | A | 85.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | I1735 T1795 Y1796 Q1797 I1802 A1803 Q1965 V1968 L1969 | I1735-A1799 HydrophobicContact CD1-CB 4.23Å; T1795-A1799 VanDerWaalsContact O-CB 3.31Å; T1795-A1799 WeakPolarHBondContact O-CB 3.41Å; T1795-A1799 PolarHBondContact O-N 3.23Å; Y1796-A1799 PolarHBondContact O-N 2.93Å; Q1797-A1799 VanDerWaalsContact C-N 3.34Å; Q1797-A1799 PolarHBondContact O-N 3.23Å; A1799-I1802 PolarHBondContact O-N 3.21Å; A1799-A1803 WeakPolarHBondContact O-CB 3.35Å; A1799-A1803 PolarHBondContact O-N 3.24Å; A1799-A1803 VanDerWaalsContact O-N 3.12Å; A1799-Q1965 HydrophobicContact CB-CB 4.17Å; A1799-Q1965 HydrophobicContact CB-CG 4.2Å; A1799-V1968 HydrophobicContact CB-CB 4.43Å; A1799-V1968 HydrophobicContact CB-CG1 4.28Å; A1799-L1969 HydrophobicContact CB-CD2 3.83Å; A1799-L1969 HydrophobicContact CB-CG 4.19Å |
| 1800 | Y | 83.3 | Confident | 82.4 | Confident | 10.6 Ų | 10.6 | 28.9 Ų | 28.9 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -48.6 | 173.5 | 171 | -96.5 | 0 | 0 | 0 | 111.9 | L1736 P1738 Y1796 Q1797 A1798 I1802 A1803 A1804 G1812 A1955 L1957 | L1736-Y1800 WeakPolarHBondContact O-CE2 3.27Å; P1738-Y1800 HydrophobicContact CB-CD1 3.92Å; P1738-Y1800 HydrophobicContact CB-CE1 3.7Å; P1738-Y1800 HydrophobicContact CB-CG 4.35Å; P1738-Y1800 VanDerWaalsContact CD-CZ 3.47Å; P1738-Y1800 HydrophobicContact CG-CD1 4.27Å; P1738-Y1800 HydrophobicContact CG-CE1 3.88Å; P1738-Y1800 HydrophobicContact CG-CE2 4.22Å; Y1796-Y1800 WeakPolarHBondContact O-CB 3.36Å; Y1796-Y1800 PolarHBondContact O-N 3.12Å; Q1797-Y1800 WeakPolarHBondContact O-CB 3.42Å; Q1797-Y1800 PolarHBondContact O-N 3.18Å; A1798-Y1800 VanDerWaalsContact C-N 3.34Å; A1798-Y1800 PolarHBondContact O-N 3.02Å; Y1800-I1802 VanDerWaalsContact C-N 3.34Å; Y1800-I1802 PolarHBondContact O-N 3.15Å; Y1800-A1803 PolarHBondContact O-N 3.23Å; Y1800-A1803 VanDerWaalsContact O-N 3.15Å; Y1800-A1804 HydrophobicContact CE1-CB 4.37Å; Y1800-A1804 VanDerWaalsContact O-CB 3.26Å; Y1800-A1804 WeakPolarHBondContact O-CB 3.3Å; Y1800-A1804 PolarHBondContact O-N 3.09Å; Y1800-G1812 VanDerWaalsContact OH-C 3.3Å; Y1800-G1812 WeakPolarHBondContact OH-CA 3.43Å; Y1800-G1812 PolarHBondContact OH-N 3.12Å; Y1800-G1812 PolarHBondContact OH-O 2.92Å; Y1800-G1812 VanDerWaalsContact OH-O 3.06Å; Y1800-A1955 HydrophobicContact CE2-CB 3.75Å; Y1800-A1955 WeakPolarHBondContact OH-CB 3.32Å; Y1800-L1957 HydrophobicContact CD2-CD1 4.26Å; Y1800-L1957 HydrophobicContact CD2-CD2 4.19Å; Y1800-L1957 HydrophobicContact CE2-CD1 3.89Å; Y1800-L1957 HydrophobicContact CE2-CD2 4.4Å |
| 1801 | L | 85.8 | Confident | 81.3 | Confident | 11 Ų | 11 | 28.1 Ų | 28.1 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | -179.2 | -69.4 | 173.3 | 0 | 0 | 0 | 112.6 | Y1744 Q1797 A1798 A1803 A1804 A1805 E2121 | Y1744-L1801 HydrophobicContact CD2-CB 4.1Å; Y1744-L1801 HydrophobicContact CD2-CD1 4.41Å; Q1797-L1801 HydrophobicContact CG-CD1 4.19Å; Q1797-L1801 HydrophobicContact CG-CG 4.43Å; Q1797-L1801 WeakPolarHBondContact O-CG 3.33Å; Q1797-L1801 PolarHBondContact O-N 3.12Å; A1798-L1801 PolarHBondContact O-N 2.98Å; L1801-A1803 VanDerWaalsContact C-N 3.33Å; L1801-A1803 PolarHBondContact O-N 3.13Å; L1801-A1804 PolarHBondContact O-N 3.27Å; L1801-A1805 VanDerWaalsContact O-CB 3.3Å; L1801-A1805 WeakPolarHBondContact O-CB 3.27Å; L1801-A1805 PolarHBondContact O-N 3.16Å; L1801-A1805 VanDerWaalsContact O-N 3.09Å; L1801-E2121 HydrophobicContact CD2-CG 4.41Å |
| 1802 | I | 85.6 | Confident | 79.9 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 173.9 | -68.8 | 161.1 | 0 | 0 | 0 | 110.6 | Y1744 A1798 A1799 Y1800 A1805 L1964 V1968 L2040 S2043 P2045 | Y1744-I1802 HydrophobicContact CD2-CG1 4.38Å; Y1744-I1802 HydrophobicContact CE2-CD1 3.84Å; Y1744-I1802 HydrophobicContact CE2-CG1 3.58Å; A1798-I1802 WeakPolarHBondContact O-CD1 3.36Å; A1798-I1802 VanDerWaalsContact O-CG1 3.25Å; A1798-I1802 WeakPolarHBondContact O-CG1 3.38Å; A1798-I1802 PolarHBondContact O-N 3.18Å; A1799-I1802 PolarHBondContact O-N 3.21Å; Y1800-I1802 VanDerWaalsContact C-N 3.34Å; Y1800-I1802 PolarHBondContact O-N 3.15Å; I1802-A1805 PolarHBondContact O-N 3.01Å; I1802-L1964 HydrophobicContact CG2-CB 4.06Å; I1802-V1968 HydrophobicContact CD1-CG2 3.72Å; I1802-L2040 HydrophobicContact CD1-CD2 4.48Å; I1802-S2043 WeakPolarHBondContact CD1-OG 3.47Å; I1802-P2045 HydrophobicContact CG1-CG 4.39Å |
| 1803 | A | 82.2 | Confident | 78.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.5 | -37.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1799 Y1800 L1801 A1805 H1806 S1809 L1957 Q1965 | A1799-A1803 WeakPolarHBondContact O-CB 3.35Å; A1799-A1803 PolarHBondContact O-N 3.24Å; A1799-A1803 VanDerWaalsContact O-N 3.12Å; Y1800-A1803 PolarHBondContact O-N 3.23Å; Y1800-A1803 VanDerWaalsContact O-N 3.15Å; L1801-A1803 VanDerWaalsContact C-N 3.33Å; L1801-A1803 PolarHBondContact O-N 3.13Å; A1803-A1805 VanDerWaalsContact C-N 3.27Å; A1803-A1805 PolarHBondContact O-N 3.23Å; A1803-H1806 WeakPolarHBondContact O-CB 3.42Å; A1803-H1806 PolarHBondContact O-N 3.08Å; A1803-S1809 VanDerWaalsContact O-CB 3.27Å; A1803-S1809 WeakPolarHBondContact O-CB 3.25Å; A1803-S1809 PolarHBondContact O-OG 3.26Å; A1803-L1957 HydrophobicContact CB-CD1 3.8Å; A1803-L1957 HydrophobicContact CB-CD2 3.72Å; A1803-L1957 VanDerWaalsContact CB-CD2 3.48Å; A1803-L1957 HydrophobicContact CB-CG 4.39Å; A1803-L1957 WeakPolarHBondContact O-CD2 3.3Å; A1803-Q1965 HydrophobicContact CB-CG 3.88Å; A1803-Q1965 VanDerWaalsContact CB-NE2 3.25Å |
| 1804 | A | 81.9 | Confident | 77.5 | Confident | 0.6 Ų | 0.6 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.1 | -28.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1800 L1801 H1806 P1811 L1957 E2121 H2125 | Y1800-A1804 HydrophobicContact CE1-CB 4.37Å; Y1800-A1804 VanDerWaalsContact O-CB 3.26Å; Y1800-A1804 WeakPolarHBondContact O-CB 3.3Å; Y1800-A1804 PolarHBondContact O-N 3.09Å; L1801-A1804 PolarHBondContact O-N 3.27Å; A1804-H1806 VanDerWaalsContact C-N 3.28Å; A1804-H1806 PolarHBondContact O-N 3Å; A1804-P1811 HydrophobicContact CB-CB 4.16Å; A1804-L1957 HydrophobicContact CB-CD2 4.42Å; A1804-E2121 HydrophobicContact CB-CB 4.45Å; A1804-H2125 PolarHBondContact O-NE2 3.19Å |
| 1805 | A | 81.3 | Confident | 76.2 | Confident | 8.2 Ų | 8.2 | 34.6 Ų | 34.6 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1801 I1802 A1803 P2045 E2121 A2124 | L1801-A1805 VanDerWaalsContact O-CB 3.3Å; L1801-A1805 WeakPolarHBondContact O-CB 3.27Å; L1801-A1805 PolarHBondContact O-N 3.16Å; L1801-A1805 VanDerWaalsContact O-N 3.09Å; I1802-A1805 PolarHBondContact O-N 3.01Å; A1803-A1805 VanDerWaalsContact C-N 3.27Å; A1803-A1805 PolarHBondContact O-N 3.23Å; A1805-P2045 HydrophobicContact CB-CB 3.67Å; A1805-P2045 HydrophobicContact CB-CG 4.32Å; A1805-E2121 HydrophobicContact CB-CB 4.05Å; A1805-A2124 HydrophobicContact CB-CB 4.05Å |
| 1806 | H | 82.4 | Confident | 75 | Confident | 43.2 Ų | 43.2 | 38.4 Ų | 38.4 | 20% | 0.2 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -70.5 | 138.1 | 178.6 | -170.1 | -102 | 0 | 0 | 0 | 111 | A1803 A1804 A1808 S1809 E1960 T1961 L1964 H2125 | A1803-H1806 WeakPolarHBondContact O-CB 3.42Å; A1803-H1806 PolarHBondContact O-N 3.08Å; A1804-H1806 VanDerWaalsContact C-N 3.28Å; A1804-H1806 PolarHBondContact O-N 3Å; H1806-A1808 VanDerWaalsContact C-N 3.27Å; H1806-A1808 WeakPolarHBondContact ND1-CB 3.37Å; H1806-A1808 PolarHBondContact ND1-N 3.11Å; H1806-A1808 PolarHBondContact O-N 3.01Å; H1806-A1808 VanDerWaalsContact O-N 3.15Å; H1806-S1809 WeakPolarHBondContact O-CA 3.4Å; H1806-S1809 VanDerWaalsContact O-CB 3.3Å; H1806-S1809 WeakPolarHBondContact O-CB 3.44Å; H1806-S1809 PolarHBondContact O-N 3.04Å; H1806-E1960 IonicContact CE1-OE2 3.04Å; H1806-E1960 PolarHBondContact CE1-OE2 3.03Å; H1806-E1960 IonicContact NE2-OE2 3.94Å; H1806-T1961 HydrophobicContact CB-CG2 3.31Å; H1806-T1961 VanDerWaalsContact CB-CG2 3.46Å; H1806-T1961 VanDerWaalsContact CG-CG2 3.43Å; H1806-T1961 WeakPolarHBondContact ND1-CG2 3.37Å; H1806-L1964 HydrophobicContact CB-CD1 4.39Å; H1806-L1964 VanDerWaalsContact CD2-CD1 3.45Å; H1806-L1964 WeakPolarHBondContact CD2-CD1 3.34Å; H1806-H2125 PolarHBondContact O-CE1 3.1Å; H1806-H2125 PolarHBondContact O-NE2 3.36Å |
| 1807 | P | 73.9 | Confident | 73.8 | Confident | 38.4 Ų | 38.4 | 36.4 Ų | 36.4 | 25% | 0.249 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29.3 | -173.9 | -7.8 | 8.2 | 0 | 0 | 0 | 115.6 | S1809 Y2128 | P1807-S1809 VanDerWaalsContact C-N 3.29Å; P1807-Y2128 HydrophobicContact CB-CD1 3.67Å; P1807-Y2128 HydrophobicContact CB-CD2 3.59Å; P1807-Y2128 VanDerWaalsContact CB-CD2 3.5Å; P1807-Y2128 HydrophobicContact CB-CE1 3.76Å; P1807-Y2128 HydrophobicContact CB-CE2 3.68Å; P1807-Y2128 HydrophobicContact CB-CG 3.57Å; P1807-Y2128 HydrophobicContact CG-CD1 4.24Å; P1807-Y2128 HydrophobicContact CG-CD2 3.46Å; P1807-Y2128 HydrophobicContact CG-CE1 4.48Å; P1807-Y2128 HydrophobicContact CG-CE2 3.7Å; P1807-Y2128 HydrophobicContact CG-CG 3.81Å |
| 1808 | A | 74.4 | Confident | 72.5 | Confident | 64.4 Ų | 64.4 | 45.9 Ų | 45.9 | 53% | 0.532 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -10.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | H1806 A1958 | H1806-A1808 VanDerWaalsContact C-N 3.27Å; H1806-A1808 WeakPolarHBondContact ND1-CB 3.37Å; H1806-A1808 PolarHBondContact ND1-N 3.11Å; H1806-A1808 PolarHBondContact O-N 3.01Å; H1806-A1808 VanDerWaalsContact O-N 3.15Å; A1808-A1958 HydrophobicContact CB-CB 3.61Å |
| 1809 | S | 75.8 | Confident | 71.1 | Confident | 1.6 Ų | 1.6 | 48 Ų | 48 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | trans | -90.8 | 153.3 | 177 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | A1803 H1806 P1807 H1956 L1957 A1958 T1961 H2125 | A1803-S1809 VanDerWaalsContact O-CB 3.27Å; A1803-S1809 WeakPolarHBondContact O-CB 3.25Å; A1803-S1809 PolarHBondContact O-OG 3.26Å; H1806-S1809 WeakPolarHBondContact O-CA 3.4Å; H1806-S1809 VanDerWaalsContact O-CB 3.3Å; H1806-S1809 WeakPolarHBondContact O-CB 3.44Å; H1806-S1809 PolarHBondContact O-N 3.04Å; P1807-S1809 VanDerWaalsContact C-N 3.29Å; S1809-H1956 CarbonylContact C-O 3.42Å; S1809-H1956 WeakPolarHBondContact CA-O 3.35Å; S1809-H1956 VanDerWaalsContact CB-O 3.23Å; S1809-H1956 WeakPolarHBondContact CB-O 3.41Å; S1809-L1957 WeakPolarHBondContact OG-CD2 3.47Å; S1809-A1958 PolarHBondContact OG-N 3.25Å; S1809-A1958 VanDerWaalsContact OG-N 3.14Å; S1809-T1961 VanDerWaalsContact OG-CG2 3.27Å; S1809-T1961 WeakPolarHBondContact OG-CG2 3.34Å; S1809-H2125 PolarHBondContact O-CE1 3.19Å; S1809-H2125 PolarHBondContact O-NE2 3.14Å | ||
| 1810 | R | 67.5 | Low | 69.8 | Low | 187.2 Ų | 187.2 | 52.1 Ų | 52.1 | 71% | 0.706 | 27% | 0.272 | S | S | * | . | B | Isolated β-bridge | trans | -113.3 | 123.7 | 166.1 | -68.7 | -176.9 | 178.1 | 171.9 | 0.2 | 109 | G1812 A1955 H1956 | R1810-G1812 PolarHBondContact O-N 3.19Å; R1810-G1812 VanDerWaalsContact O-N 3.16Å; R1810-A1955 CarbonylContact O-C 3.53Å; R1810-A1955 VanDerWaalsContact O-CA 3.26Å; R1810-A1955 WeakPolarHBondContact O-CA 3.4Å; R1810-A1955 WeakPolarHBondContact O-CB 3.36Å; R1810-H1956 HydrophobicContact CB-CB 4.39Å; R1810-H1956 PolarHBondContact N-O 3.12Å; R1810-H1956 PolarHBondContact O-N 3.06Å; R1810-H1956 VanDerWaalsContact O-N 3.13Å |
| 1811 | P | 63.3 | Low | 69 | Low | 52 Ų | 52 | 56.6 Ų | 56.6 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | trans | -59.3 | 131.1 | 175.7 | 24.6 | -31.7 | 0 | 0 | 0 | 109.1 | A1804 E2121 | A1804-P1811 HydrophobicContact CB-CB 4.16Å; P1811-E2121 HydrophobicContact CB-CG 4.09Å | ||
| 1812 | G | 59.6 | Low | 68.1 | Low | 15.6 Ų | 15.6 | 58.8 Ų | 58.8 | 16% | 0.161 | 31% | 0.306 | C | S | . | . | trans | -75.4 | 159.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y1800 R1810 S1953 | Y1800-G1812 VanDerWaalsContact OH-C 3.3Å; Y1800-G1812 WeakPolarHBondContact OH-CA 3.43Å; Y1800-G1812 PolarHBondContact OH-N 3.12Å; Y1800-G1812 PolarHBondContact OH-O 2.92Å; Y1800-G1812 VanDerWaalsContact OH-O 3.06Å; R1810-G1812 PolarHBondContact O-N 3.19Å; R1810-G1812 VanDerWaalsContact O-N 3.16Å; G1812-S1953 CarbonylContact C-O 3.54Å; G1812-S1953 WeakPolarHBondContact CA-O 3.32Å | ||
| 1813 | H | 61 | Low | 67.4 | Low | 75.6 Ų | 75.6 | 61 Ų | 61 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | trans | -116.6 | 141.6 | 170 | 75.2 | -42.7 | 0 | 0 | 0 | 109.5 | R1816 R1948 D1949 A1951 G1952 S1953 | H1813-R1816 PolarHBondContact CE1-NE 3.14Å; H1813-R1816 PolarHBondContact NE2-NE 2.85Å; H1813-R1816 PolarHBondContact NE2-NH2 3.22Å; H1813-R1948 PolarHBondContact NE2-O 3.24Å; H1813-D1949 PolarHBondContact CD2-O 2.92Å; H1813-A1951 PolarHBondContact CE1-O 3.13Å; H1813-A1951 PolarHBondContact NE2-O 3.32Å; H1813-G1952 VanDerWaalsContact CE1-C 3.45Å; H1813-G1952 VanDerWaalsContact CE1-CA 3.45Å; H1813-G1952 WeakPolarHBondContact CE1-CA 3.29Å; H1813-G1952 WeakPolarHBondContact ND1-CA 3.3Å; H1813-G1952 CarbonylContact O-C 3.57Å; H1813-G1952 VanDerWaalsContact O-C 3.27Å; H1813-G1952 WeakPolarHBondContact O-CA 3.33Å; H1813-S1953 VanDerWaalsContact CE1-CB 3.45Å; H1813-S1953 WeakPolarHBondContact CE1-CB 3.5Å; H1813-S1953 PolarHBondContact CE1-N 3.17Å; H1813-S1953 VanDerWaalsContact CE1-N 3.31Å; H1813-S1953 PolarHBondContact CE1-OG 2.81Å; H1813-S1953 VanDerWaalsContact CE1-OG 3.27Å; H1813-S1953 PolarHBondContact N-O 3.27Å; H1813-S1953 VanDerWaalsContact N-O 3.12Å; H1813-S1953 PolarHBondContact ND1-N 3.2Å; H1813-S1953 VanDerWaalsContact ND1-N 3.13Å; H1813-S1953 PolarHBondContact ND1-OG 3.12Å; H1813-S1953 PolarHBondContact NE2-OG 3.39Å; H1813-S1953 PolarHBondContact O-N 3.11Å; H1813-S1953 VanDerWaalsContact O-N 3.1Å | ||
| 1814 | V | 56.2 | Low | 66.9 | Low | 76.4 Ų | 76.4 | 64 Ų | 64 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | trans | -68.4 | 147.4 | 173.2 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | P1738 R1816 | P1738-V1814 HydrophobicContact CB-CG2 3.83Å; P1738-V1814 HydrophobicContact CG-CG2 3.42Å; P1738-V1814 VanDerWaalsContact CG-CG2 3.44Å; P1738-V1814 WeakPolarHBondContact O-CG2 3.2Å; V1814-R1816 PolarHBondContact O-N 3.15Å; V1814-R1816 VanDerWaalsContact O-N 3.12Å | ||
| 1815 | T | 59.3 | Low | 66.8 | Low | 61.6 Ų | 61.6 | 66.7 Ų | 66.7 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | trans | -53.5 | 127.6 | 170.4 | 55.8 | 0 | 0 | 0 | 0 | 109.4 | F1817 A1950 A1951 G1952 | T1815-F1817 PolarHBondContact O-N 3.01Å; T1815-F1817 VanDerWaalsContact O-N 3.12Å; T1815-F1817 PolarHBondContact OG1-O 2.95Å; T1815-A1950 CarbonylContact C-O 3.57Å; T1815-A1950 WeakPolarHBondContact CA-O 3.33Å; T1815-A1951 WeakPolarHBondContact CG2-O 3.41Å; T1815-G1952 VanDerWaalsContact CG2-N 3.28Å | ||
| 1816 | R | 59.9 | Low | 66.9 | Low | 84.4 Ų | 84.4 | 66.6 Ų | 66.6 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -68.8 | -8.3 | 175 | -65 | -175.9 | -175.8 | 156.4 | 4.8 | 112.4 | H1813 V1814 R1818 E1887 D1949 A1950 | H1813-R1816 PolarHBondContact CE1-NE 3.14Å; H1813-R1816 PolarHBondContact NE2-NE 2.85Å; H1813-R1816 PolarHBondContact NE2-NH2 3.22Å; V1814-R1816 PolarHBondContact O-N 3.15Å; V1814-R1816 VanDerWaalsContact O-N 3.12Å; R1816-R1818 PolarHBondContact O-N 3.02Å; R1816-E1887 IonicContact CZ-OE2 3.45Å; R1816-E1887 IonicContact NH1-OE2 3.11Å; R1816-E1887 PolarHBondContact NH1-OE2 3.11Å; R1816-E1887 IonicContact NH2-OE2 3Å; R1816-E1887 PolarHBondContact NH2-OE2 3.14Å; R1816-D1949 IonicContact CZ-OD1 3.05Å; R1816-D1949 PolarHBondContact NE-O 3.46Å; R1816-D1949 VanDerWaalsContact NH1-CG 3.32Å; R1816-D1949 PolarHBondContact NH1-O 3.43Å; R1816-D1949 IonicContact NH1-OD1 3.34Å; R1816-D1949 PolarHBondContact NH1-OD1 3.45Å; R1816-D1949 IonicContact NH1-OD2 3.94Å; R1816-D1949 PolarHBondContact NH1-OD2 3.48Å; R1816-D1949 IonicContact NH2-OD1 3.98Å; R1816-D1949 PolarHBondContact NH2-OD1 3.27Å; R1816-A1950 HydrophobicContact CB-CB 4.3Å; R1816-A1950 HydrophobicContact CG-CB 4.5Å; R1816-A1950 PolarHBondContact N-O 3.29Å; R1816-A1950 VanDerWaalsContact N-O 3.1Å |
| 1817 | F | 60.5 | Low | 66.8 | Low | 13.2 Ų | 13.2 | 69.4 Ų | 69.4 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | trans | -70.2 | 115.6 | 172.2 | -56.1 | -64.1 | 0 | 0 | 0 | 110.7 | T1815 S1819 Q1822 L1823 I1826 Y1878 L1946 L1947 A1950 A1951 | T1815-F1817 PolarHBondContact O-N 3.01Å; T1815-F1817 VanDerWaalsContact O-N 3.12Å; T1815-F1817 PolarHBondContact OG1-O 2.95Å; F1817-S1819 VanDerWaalsContact C-N 3.28Å; F1817-S1819 PolarHBondContact O-N 3.19Å; F1817-Q1822 HydrophobicContact CB-CB 4.41Å; F1817-Q1822 HydrophobicContact CD1-CB 4.37Å; F1817-L1823 HydrophobicContact CD2-CB 4.32Å; F1817-L1823 HydrophobicContact CD2-CD1 4.1Å; F1817-L1823 HydrophobicContact CE2-CD1 3.82Å; F1817-L1823 HydrophobicContact CG-CB 4.42Å; F1817-L1823 HydrophobicContact CZ-CD1 4.27Å; F1817-I1826 HydrophobicContact CD1-CD1 4.22Å; F1817-I1826 HydrophobicContact CE1-CD1 3.45Å; F1817-I1826 VanDerWaalsContact CE1-CD1 3.43Å; F1817-I1826 HydrophobicContact CZ-CD1 4.01Å; F1817-Y1878 HydrophobicContact CD1-CD1 4.43Å; F1817-Y1878 AromaticContact CD1-CE1 3.78Å; F1817-Y1878 HydrophobicContact CD1-CE1 3.78Å; F1817-Y1878 HydrophobicContact CD1-CE2 4.31Å; F1817-Y1878 AromaticContact CD1-CZ 3.73Å; F1817-Y1878 HydrophobicContact CE1-CD1 4.4Å; F1817-Y1878 HydrophobicContact CE1-CD2 4.33Å; F1817-Y1878 AromaticContact CE1-CE1 3.96Å; F1817-Y1878 HydrophobicContact CE1-CE1 4.19Å; F1817-Y1878 AromaticContact CE1-CE2 3.96Å; F1817-Y1878 HydrophobicContact CE1-CE2 4.08Å; F1817-Y1878 AromaticContact CE1-CZ 3.92Å; F1817-Y1878 HydrophobicContact CG-CE1 4.49Å; F1817-L1946 HydrophobicContact CE1-CD2 4.4Å; F1817-L1946 HydrophobicContact CZ-CD2 3.95Å; F1817-L1946 HydrophobicContact CZ-CG 4.38Å; F1817-L1947 HydrophobicContact CE2-CD2 4.32Å; F1817-A1950 HydrophobicContact CE1-CB 4.37Å; F1817-A1950 HydrophobicContact CE2-CB 3.82Å; F1817-A1950 WeakPolarHBondContact CE2-O 3.37Å; F1817-A1950 HydrophobicContact CZ-CB 3.69Å; F1817-A1951 HydrophobicContact CE2-CB 4.27Å | ||
| 1818 | R | 55.9 | Low | 67.2 | Low | 204.6 Ų | 204.6 | 72.3 Ų | 72.3 | 77% | 0.772 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -70.1 | -19.6 | -178.3 | -68.4 | -170.9 | -171.7 | 178.8 | 4.1 | 113.6 | R1816 Q1822 E1881 | R1816-R1818 PolarHBondContact O-N 3.02Å; R1818-Q1822 VanDerWaalsContact N-OE1 3.08Å; R1818-E1881 IonicContact CZ-OE1 3.02Å; R1818-E1881 IonicContact NE-OE1 3.57Å; R1818-E1881 IonicContact NH2-OE1 3.57Å; R1818-E1881 PolarHBondContact NH2-OE1 3.23Å |
| 1819 | S | 57.2 | Low | 67.8 | Low | 47.2 Ų | 47.2 | 70.2 Ų | 70.2 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -143.3 | 147.8 | 178.9 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | F1817 D1821 Q1822 | F1817-S1819 VanDerWaalsContact C-N 3.28Å; F1817-S1819 PolarHBondContact O-N 3.19Å; S1819-D1821 PolarHBondContact O-N 3.16Å; S1819-D1821 VanDerWaalsContact O-N 3.13Å; S1819-Q1822 WeakPolarHBondContact O-CB 3.44Å; S1819-Q1822 PolarHBondContact O-N 2.97Å; S1819-Q1822 VanDerWaalsContact O-N 3.07Å; S1819-Q1822 VanDerWaalsContact OG-CG 3.31Å; S1819-Q1822 WeakPolarHBondContact OG-CG 3.32Å; S1819-Q1822 PolarHBondContact OG-OE1 3.43Å |
| 1820 | S | 59.6 | Low | 68.3 | Low | 85.2 Ų | 85.2 | 70.5 Ų | 70.5 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.3 | -30 | 173.4 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | Q1822 L1823 T1824 | S1820-Q1822 VanDerWaalsContact C-N 3.31Å; S1820-Q1822 PolarHBondContact O-N 3.24Å; S1820-L1823 PolarHBondContact O-N 3.14Å; S1820-L1823 VanDerWaalsContact O-N 3.13Å; S1820-T1824 WeakPolarHBondContact O-CG2 3.32Å; S1820-T1824 PolarHBondContact O-N 3.13Å; S1820-T1824 VanDerWaalsContact O-N 3.13Å; S1820-T1824 PolarHBondContact O-OG1 3.15Å |
| 1821 | D | 64.8 | Low | 69.1 | Low | 104.4 Ų | 104.4 | 64.2 Ų | 64.2 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.3 | -31.9 | 177.9 | -64 | -11.4 | 0 | 0 | 0 | 112.8 | R1507 S1819 L1823 T1824 T1825 | R1507-D1821 IonicContact CZ-OD1 3.28Å; R1507-D1821 IonicContact CZ-OD2 2.97Å; R1507-D1821 IonicContact NE-OD1 3.58Å; R1507-D1821 PolarHBondContact NE-OD1 3.38Å; R1507-D1821 IonicContact NE-OD2 3.11Å; R1507-D1821 IonicContact NH1-OD1 2.84Å; R1507-D1821 PolarHBondContact NH1-OD1 3.42Å; R1507-D1821 IonicContact NH1-OD2 3.16Å; R1507-D1821 PolarHBondContact NH1-OD2 3.45Å; R1507-D1821 VanDerWaalsContact NH2-CG 3.31Å; R1507-D1821 IonicContact NH2-OD1 2.74Å; R1507-D1821 PolarHBondContact NH2-OD1 2.98Å; R1507-D1821 IonicContact NH2-OD2 3.15Å; R1507-D1821 PolarHBondContact NH2-OD2 2.99Å; S1819-D1821 PolarHBondContact O-N 3.16Å; S1819-D1821 VanDerWaalsContact O-N 3.13Å; D1821-L1823 PolarHBondContact O-N 3.32Å; D1821-T1824 VanDerWaalsContact C-OG1 3.28Å; D1821-T1824 VanDerWaalsContact CA-OG1 3.25Å; D1821-T1824 WeakPolarHBondContact CA-OG1 3.35Å; D1821-T1824 WeakPolarHBondContact O-CA 3.45Å; D1821-T1824 VanDerWaalsContact O-CB 3.32Å; D1821-T1824 WeakPolarHBondContact O-CB 3.33Å; D1821-T1824 PolarHBondContact O-N 3.01Å; D1821-T1824 VanDerWaalsContact O-N 3.11Å; D1821-T1824 PolarHBondContact O-OG1 2.97Å; D1821-T1825 WeakPolarHBondContact O-CB 3.39Å; D1821-T1825 VanDerWaalsContact O-CG2 3.25Å; D1821-T1825 WeakPolarHBondContact O-CG2 3.29Å; D1821-T1825 PolarHBondContact O-N 3.02Å; D1821-T1825 PolarHBondContact O-OG1 3.17Å |
| 1822 | Q | 68.3 | Low | 70.2 | Confident | 57.6 Ų | 57.6 | 62.8 Ų | 62.8 | 27% | 0.269 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.2 | -43.7 | 179.9 | -76.1 | 173.1 | -9.2 | 0 | 0 | 112 | F1817 R1818 S1819 S1820 T1824 T1825 I1826 Y1878 | F1817-Q1822 HydrophobicContact CB-CB 4.41Å; F1817-Q1822 HydrophobicContact CD1-CB 4.37Å; R1818-Q1822 VanDerWaalsContact N-OE1 3.08Å; S1819-Q1822 WeakPolarHBondContact O-CB 3.44Å; S1819-Q1822 PolarHBondContact O-N 2.97Å; S1819-Q1822 VanDerWaalsContact O-N 3.07Å; S1819-Q1822 VanDerWaalsContact OG-CG 3.31Å; S1819-Q1822 WeakPolarHBondContact OG-CG 3.32Å; S1819-Q1822 PolarHBondContact OG-OE1 3.43Å; S1820-Q1822 VanDerWaalsContact C-N 3.31Å; S1820-Q1822 PolarHBondContact O-N 3.24Å; Q1822-T1824 VanDerWaalsContact C-N 3.33Å; Q1822-T1824 PolarHBondContact O-N 3.24Å; Q1822-T1825 VanDerWaalsContact CA-OG1 3.29Å; Q1822-T1825 WeakPolarHBondContact CA-OG1 3.44Å; Q1822-T1825 PolarHBondContact O-N 3.04Å; Q1822-T1825 PolarHBondContact O-OG1 3.19Å; Q1822-I1826 WeakPolarHBondContact O-CG1 3.41Å; Q1822-I1826 PolarHBondContact O-N 3.06Å; Q1822-I1826 VanDerWaalsContact O-N 3.13Å; Q1822-Y1878 VanDerWaalsContact CB-OH 3.31Å; Q1822-Y1878 WeakPolarHBondContact CB-OH 3.34Å; Q1822-Y1878 VanDerWaalsContact CG-OH 3.24Å; Q1822-Y1878 WeakPolarHBondContact CG-OH 3.41Å; Q1822-Y1878 PolarHBondContact NE2-OH 2.93Å; Q1822-Y1878 PolarHBondContact OE1-OH 3.16Å |
| 1823 | L | 69.8 | Low | 71.5 | Confident | 60 Ų | 60 | 62 Ų | 62 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.8 | -175.4 | 65.6 | 0 | 0 | 0 | 111.1 | F1817 S1820 D1821 I1826 H1827 L1947 | F1817-L1823 HydrophobicContact CD2-CB 4.32Å; F1817-L1823 HydrophobicContact CD2-CD1 4.1Å; F1817-L1823 HydrophobicContact CE2-CD1 3.82Å; F1817-L1823 HydrophobicContact CG-CB 4.42Å; F1817-L1823 HydrophobicContact CZ-CD1 4.27Å; S1820-L1823 PolarHBondContact O-N 3.14Å; S1820-L1823 VanDerWaalsContact O-N 3.13Å; D1821-L1823 PolarHBondContact O-N 3.32Å; L1823-I1826 PolarHBondContact O-N 3.15Å; L1823-H1827 WeakPolarHBondContact O-CB 3.45Å; L1823-H1827 PolarHBondContact O-CD2 2.86Å; L1823-H1827 VanDerWaalsContact O-CD2 3.22Å; L1823-H1827 PolarHBondContact O-N 3.1Å; L1823-L1947 HydrophobicContact CD1-CD2 3.96Å |
| 1824 | T | 73.4 | Confident | 72.8 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 39% | 0.387 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 175.2 | 37.8 | 0 | 0 | 0 | 0 | 111.3 | S1820 D1821 Q1822 I1826 H1827 D1828 | S1820-T1824 WeakPolarHBondContact O-CG2 3.32Å; S1820-T1824 PolarHBondContact O-N 3.13Å; S1820-T1824 VanDerWaalsContact O-N 3.13Å; S1820-T1824 PolarHBondContact O-OG1 3.15Å; D1821-T1824 VanDerWaalsContact C-OG1 3.28Å; D1821-T1824 VanDerWaalsContact CA-OG1 3.25Å; D1821-T1824 WeakPolarHBondContact CA-OG1 3.35Å; D1821-T1824 WeakPolarHBondContact O-CA 3.45Å; D1821-T1824 VanDerWaalsContact O-CB 3.32Å; D1821-T1824 WeakPolarHBondContact O-CB 3.33Å; D1821-T1824 PolarHBondContact O-N 3.01Å; D1821-T1824 VanDerWaalsContact O-N 3.11Å; D1821-T1824 PolarHBondContact O-OG1 2.97Å; Q1822-T1824 VanDerWaalsContact C-N 3.33Å; Q1822-T1824 PolarHBondContact O-N 3.24Å; T1824-I1826 VanDerWaalsContact C-N 3.32Å; T1824-I1826 PolarHBondContact O-N 3.31Å; T1824-H1827 CarbonylContact O-C 3.55Å; T1824-H1827 WeakPolarHBondContact O-CB 3.4Å; T1824-H1827 PolarHBondContact O-N 3.17Å; T1824-H1827 VanDerWaalsContact O-N 3.15Å; T1824-D1828 WeakPolarHBondContact O-CB 3.3Å; T1824-D1828 VanDerWaalsContact O-CG 3.27Å; T1824-D1828 PolarHBondContact O-N 2.94Å |
| 1825 | T | 79.6 | Confident | 74.3 | Confident | 57.2 Ų | 57.2 | 66.5 Ų | 66.5 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 176.6 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | D1821 Q1822 D1828 H1829 | D1821-T1825 WeakPolarHBondContact O-CB 3.39Å; D1821-T1825 VanDerWaalsContact O-CG2 3.25Å; D1821-T1825 WeakPolarHBondContact O-CG2 3.29Å; D1821-T1825 PolarHBondContact O-N 3.02Å; D1821-T1825 PolarHBondContact O-OG1 3.17Å; Q1822-T1825 VanDerWaalsContact CA-OG1 3.29Å; Q1822-T1825 WeakPolarHBondContact CA-OG1 3.44Å; Q1822-T1825 PolarHBondContact O-N 3.04Å; Q1822-T1825 PolarHBondContact O-OG1 3.19Å; T1825-D1828 PolarHBondContact O-N 3.07Å; T1825-H1829 PolarHBondContact O-CD2 2.93Å; T1825-H1829 VanDerWaalsContact O-CG 3.32Å; T1825-H1829 PolarHBondContact O-N 3.22Å; T1825-H1829 VanDerWaalsContact O-N 3.11Å |
| 1826 | I | 81.6 | Confident | 75.5 | Confident | 4.8 Ų | 4.8 | 63.7 Ų | 63.7 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 175.3 | -68.4 | 167 | 0 | 0 | 0 | 110.1 | F1817 Q1822 L1823 T1824 D1828 H1829 V1830 L1871 T1874 T1875 Y1878 I1943 L1946 | F1817-I1826 HydrophobicContact CD1-CD1 4.22Å; F1817-I1826 HydrophobicContact CE1-CD1 3.45Å; F1817-I1826 VanDerWaalsContact CE1-CD1 3.43Å; F1817-I1826 HydrophobicContact CZ-CD1 4.01Å; Q1822-I1826 WeakPolarHBondContact O-CG1 3.41Å; Q1822-I1826 PolarHBondContact O-N 3.06Å; Q1822-I1826 VanDerWaalsContact O-N 3.13Å; L1823-I1826 PolarHBondContact O-N 3.15Å; T1824-I1826 VanDerWaalsContact C-N 3.32Å; T1824-I1826 PolarHBondContact O-N 3.31Å; I1826-D1828 VanDerWaalsContact C-N 3.32Å; I1826-D1828 PolarHBondContact O-N 3.35Å; I1826-H1829 PolarHBondContact O-N 3.19Å; I1826-V1830 VanDerWaalsContact O-CG2 3.23Å; I1826-V1830 WeakPolarHBondContact O-CG2 3.37Å; I1826-V1830 PolarHBondContact O-N 3.17Å; I1826-V1830 VanDerWaalsContact O-N 3.14Å; I1826-L1871 HydrophobicContact CG2-CD1 4.11Å; I1826-T1874 HydrophobicContact CG1-CG2 4.38Å; I1826-T1875 HydrophobicContact CD1-CG2 4.22Å; I1826-T1875 HydrophobicContact CG1-CG2 4.32Å; I1826-Y1878 HydrophobicContact CD1-CE2 4.13Å; I1826-I1943 HydrophobicContact CG2-CD1 3.6Å; I1826-L1946 HydrophobicContact CD1-CD2 4.28Å; I1826-L1946 HydrophobicContact CG2-CD2 4.36Å |
| 1827 | H | 81.2 | Confident | 76.8 | Confident | 102.8 Ų | 102.8 | 59.8 Ų | 59.8 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 176.5 | -123.3 | -73.6 | 0 | 0 | 0 | 112.5 | L1823 T1824 H1829 V1830 A1831 | L1823-H1827 WeakPolarHBondContact O-CB 3.45Å; L1823-H1827 PolarHBondContact O-CD2 2.86Å; L1823-H1827 VanDerWaalsContact O-CD2 3.22Å; L1823-H1827 PolarHBondContact O-N 3.1Å; T1824-H1827 CarbonylContact O-C 3.55Å; T1824-H1827 WeakPolarHBondContact O-CB 3.4Å; T1824-H1827 PolarHBondContact O-N 3.17Å; T1824-H1827 VanDerWaalsContact O-N 3.15Å; H1827-H1829 VanDerWaalsContact C-N 3.34Å; H1827-H1829 PolarHBondContact O-N 3.33Å; H1827-V1830 PolarHBondContact O-N 3.14Å; H1827-A1831 VanDerWaalsContact O-CB 3.31Å; H1827-A1831 WeakPolarHBondContact O-CB 3.37Å; H1827-A1831 PolarHBondContact O-N 3.24Å |
| 1828 | D | 83.4 | Confident | 77.9 | Confident | 100.4 Ų | 100.4 | 62.2 Ų | 62.2 | 54% | 0.537 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 177.8 | -70.8 | -16 | 0 | 0 | 0 | 112.1 | T1824 T1825 I1826 V1830 A1832 | T1824-D1828 WeakPolarHBondContact O-CB 3.3Å; T1824-D1828 VanDerWaalsContact O-CG 3.27Å; T1824-D1828 PolarHBondContact O-N 2.94Å; T1825-D1828 PolarHBondContact O-N 3.07Å; I1826-D1828 VanDerWaalsContact C-N 3.32Å; I1826-D1828 PolarHBondContact O-N 3.35Å; D1828-V1830 VanDerWaalsContact C-N 3.3Å; D1828-V1830 PolarHBondContact O-N 2.9Å; D1828-A1832 VanDerWaalsContact O-CB 3.26Å; D1828-A1832 WeakPolarHBondContact O-CB 3.3Å; D1828-A1832 PolarHBondContact O-N 3.2Å; D1828-A1832 VanDerWaalsContact O-N 3.12Å |
| 1829 | H | 86.1 | Confident | 79.2 | Confident | 19.4 Ų | 19.4 | 56 Ų | 56 | 9% | 0.09 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 174.2 | -74 | -56.8 | 0 | 0 | 0 | 111.9 | T1825 I1826 H1827 A1832 I1833 R1867 Q1870 L1871 | T1825-H1829 PolarHBondContact O-CD2 2.93Å; T1825-H1829 VanDerWaalsContact O-CG 3.32Å; T1825-H1829 PolarHBondContact O-N 3.22Å; T1825-H1829 VanDerWaalsContact O-N 3.11Å; I1826-H1829 PolarHBondContact O-N 3.19Å; H1827-H1829 VanDerWaalsContact C-N 3.34Å; H1827-H1829 PolarHBondContact O-N 3.33Å; H1829-A1832 PolarHBondContact O-N 3.16Å; H1829-I1833 WeakPolarHBondContact O-CB 3.28Å; H1829-I1833 WeakPolarHBondContact O-CD1 3.36Å; H1829-I1833 VanDerWaalsContact O-CG1 3.27Å; H1829-I1833 WeakPolarHBondContact O-CG1 3.42Å; H1829-I1833 PolarHBondContact O-N 3.1Å; H1829-I1833 VanDerWaalsContact O-N 3.08Å; H1829-R1867 PolarHBondContact CE1-NH1 3.37Å; H1829-R1867 WeakPolarHBondContact ND1-CD 3.44Å; H1829-R1867 PolarHBondContact ND1-NH1 3.47Å; H1829-Q1870 VanDerWaalsContact CE1-CB 3.45Å; H1829-Q1870 WeakPolarHBondContact CE1-CB 3.31Å; H1829-Q1870 PolarHBondContact CE1-OE1 3.19Å; H1829-L1871 HydrophobicContact CB-CB 4.25Å; H1829-L1871 HydrophobicContact CB-CD1 4.17Å |
| 1830 | V | 86.4 | Confident | 80.4 | Confident | 8.4 Ų | 8.4 | 53.8 Ų | 53.8 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | I1826 H1827 D1828 A1832 I1833 R1834 V1939 I1943 | I1826-V1830 VanDerWaalsContact O-CG2 3.23Å; I1826-V1830 WeakPolarHBondContact O-CG2 3.37Å; I1826-V1830 PolarHBondContact O-N 3.17Å; I1826-V1830 VanDerWaalsContact O-N 3.14Å; H1827-V1830 PolarHBondContact O-N 3.14Å; D1828-V1830 VanDerWaalsContact C-N 3.3Å; D1828-V1830 PolarHBondContact O-N 2.9Å; V1830-A1832 VanDerWaalsContact C-N 3.31Å; V1830-A1832 PolarHBondContact O-N 3.02Å; V1830-I1833 WeakPolarHBondContact O-CB 3.37Å; V1830-I1833 PolarHBondContact O-N 3.16Å; V1830-I1833 VanDerWaalsContact O-N 3.16Å; V1830-R1834 WeakPolarHBondContact O-CG 3.35Å; V1830-R1834 PolarHBondContact O-N 3.1Å; V1830-R1834 VanDerWaalsContact O-N 3.09Å; V1830-V1939 HydrophobicContact CG2-CG1 4.26Å; V1830-I1943 HydrophobicContact CB-CD1 3.96Å; V1830-I1943 HydrophobicContact CG1-CD1 3.47Å; V1830-I1943 VanDerWaalsContact CG1-CD1 3.47Å; V1830-I1943 HydrophobicContact CG2-CD1 3.43Å; V1830-I1943 VanDerWaalsContact CG2-CD1 3.5Å; V1830-I1943 HydrophobicContact CG2-CG1 3.65Å |
| 1831 | A | 84.6 | Confident | 81.3 | Confident | 54.6 Ų | 54.6 | 51.7 Ų | 51.7 | 45% | 0.451 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1827 R1834 K1835 | H1827-A1831 VanDerWaalsContact O-CB 3.31Å; H1827-A1831 WeakPolarHBondContact O-CB 3.37Å; H1827-A1831 PolarHBondContact O-N 3.24Å; A1831-R1834 PolarHBondContact O-N 3.47Å; A1831-K1835 VanDerWaalsContact O-CB 3.3Å; A1831-K1835 WeakPolarHBondContact O-CB 3.38Å; A1831-K1835 PolarHBondContact O-N 3.17Å |
| 1832 | A | 85.8 | Confident | 81.7 | Confident | 21.4 Ų | 21.4 | 52.3 Ų | 52.3 | 18% | 0.177 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1828 H1829 V1830 K1835 S1836 R1867 | D1828-A1832 VanDerWaalsContact O-CB 3.26Å; D1828-A1832 WeakPolarHBondContact O-CB 3.3Å; D1828-A1832 PolarHBondContact O-N 3.2Å; D1828-A1832 VanDerWaalsContact O-N 3.12Å; H1829-A1832 PolarHBondContact O-N 3.16Å; V1830-A1832 VanDerWaalsContact C-N 3.31Å; V1830-A1832 PolarHBondContact O-N 3.02Å; A1832-K1835 PolarHBondContact O-N 3.46Å; A1832-S1836 WeakPolarHBondContact O-CB 3.37Å; A1832-S1836 PolarHBondContact O-N 3.06Å; A1832-S1836 PolarHBondContact O-OG 3.19Å; A1832-S1836 VanDerWaalsContact O-OG 3.1Å; A1832-R1867 HydrophobicContact CB-CG 4.18Å |
| 1833 | I | 87.6 | Confident | 81.3 | Confident | 0.8 Ų | 0.8 | 51.1 Ų | 51.1 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -55.3 | 175.4 | -73.6 | 164.6 | 0 | 0 | 0 | 109.8 | H1829 V1830 K1835 S1836 V1837 L1864 R1867 A1868 L1871 V1939 | H1829-I1833 WeakPolarHBondContact O-CB 3.28Å; H1829-I1833 WeakPolarHBondContact O-CD1 3.36Å; H1829-I1833 VanDerWaalsContact O-CG1 3.27Å; H1829-I1833 WeakPolarHBondContact O-CG1 3.42Å; H1829-I1833 PolarHBondContact O-N 3.1Å; H1829-I1833 VanDerWaalsContact O-N 3.08Å; V1830-I1833 WeakPolarHBondContact O-CB 3.37Å; V1830-I1833 PolarHBondContact O-N 3.16Å; V1830-I1833 VanDerWaalsContact O-N 3.16Å; I1833-K1835 VanDerWaalsContact C-N 3.3Å; I1833-K1835 PolarHBondContact O-N 3.18Å; I1833-S1836 PolarHBondContact O-N 2.91Å; I1833-S1836 VanDerWaalsContact O-N 3.09Å; I1833-S1836 PolarHBondContact O-OG 3.32Å; I1833-V1837 HydrophobicContact CG2-CG2 4.46Å; I1833-V1837 WeakPolarHBondContact O-CG2 3.41Å; I1833-V1837 PolarHBondContact O-N 3.28Å; I1833-L1864 HydrophobicContact CB-CD1 4.18Å; I1833-L1864 HydrophobicContact CG1-CD1 4.25Å; I1833-L1864 HydrophobicContact CG2-CD1 3.74Å; I1833-R1867 HydrophobicContact CD1-CB 4.46Å; I1833-R1867 HydrophobicContact CG1-CB 3.91Å; I1833-A1868 HydrophobicContact CD1-CB 4.26Å; I1833-L1871 HydrophobicContact CD1-CD2 4.15Å; I1833-V1939 HydrophobicContact CD1-CG1 4.21Å; I1833-V1939 HydrophobicContact CD1-CG2 4.18Å; I1833-V1939 HydrophobicContact CG2-CG1 4.45Å; I1833-V1939 HydrophobicContact CG2-CG2 4.46Å |
| 1834 | R | 87.5 | Confident | 80.6 | Confident | 109.6 Ų | 109.6 | 52.7 Ų | 52.7 | 41% | 0.414 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58 | -40.7 | 179.9 | -68 | -175.9 | -178.6 | 159.8 | -2.2 | 112.6 | V1830 A1831 S1836 V1837 S1838 E1936 D1940 | V1830-R1834 WeakPolarHBondContact O-CG 3.35Å; V1830-R1834 PolarHBondContact O-N 3.1Å; V1830-R1834 VanDerWaalsContact O-N 3.09Å; A1831-R1834 PolarHBondContact O-N 3.47Å; R1834-S1836 PolarHBondContact O-N 3.47Å; R1834-V1837 PolarHBondContact O-N 3.15Å; R1834-S1838 WeakPolarHBondContact O-CB 3.3Å; R1834-S1838 PolarHBondContact O-N 3.18Å; R1834-S1838 VanDerWaalsContact O-N 3.07Å; R1834-S1838 PolarHBondContact O-OG 3.05Å; R1834-E1936 WeakPolarHBondContact CA-OE1 3.48Å; R1834-E1936 WeakPolarHBondContact CB-OE1 3.48Å; R1834-E1936 HydrophobicContact CG-CG 4.39Å; R1834-E1936 WeakPolarHBondContact CG-OE1 3.42Å; R1834-D1940 IonicContact CZ-OD1 3.32Å; R1834-D1940 VanDerWaalsContact CZ-OD1 3.24Å; R1834-D1940 IonicContact CZ-OD2 3.34Å; R1834-D1940 IonicContact NE-OD1 2.89Å; R1834-D1940 PolarHBondContact NE-OD1 3.02Å; R1834-D1940 IonicContact NE-OD2 3.28Å; R1834-D1940 PolarHBondContact NE-OD2 3.32Å; R1834-D1940 IonicContact NH2-OD1 3.26Å; R1834-D1940 PolarHBondContact NH2-OD1 3.39Å; R1834-D1940 IonicContact NH2-OD2 3.35Å; R1834-D1940 PolarHBondContact NH2-OD2 3.11Å |
| 1835 | K | 86.8 | Confident | 79.5 | Confident | 135 Ų | 135 | 56.1 Ų | 56.1 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.7 | -48.7 | 174 | -176.6 | 177.8 | 177.3 | -165.7 | 0 | 111.7 | A1831 A1832 I1833 V1837 S1838 E1839 | A1831-K1835 VanDerWaalsContact O-CB 3.3Å; A1831-K1835 WeakPolarHBondContact O-CB 3.38Å; A1831-K1835 PolarHBondContact O-N 3.17Å; A1832-K1835 PolarHBondContact O-N 3.46Å; I1833-K1835 VanDerWaalsContact C-N 3.3Å; I1833-K1835 PolarHBondContact O-N 3.18Å; K1835-V1837 VanDerWaalsContact C-N 3.33Å; K1835-V1837 PolarHBondContact O-N 3.06Å; K1835-S1838 WeakPolarHBondContact O-CB 3.33Å; K1835-S1838 PolarHBondContact O-N 2.96Å; K1835-E1839 WeakPolarHBondContact CE-OE1 3.35Å; K1835-E1839 IonicContact NZ-OE1 2.92Å; K1835-E1839 PolarHBondContact NZ-OE1 3.21Å; K1835-E1839 WeakPolarHBondContact O-CG 3.34Å; K1835-E1839 PolarHBondContact O-N 3.4Å; K1835-E1839 VanDerWaalsContact O-N 3.14Å |
| 1836 | S | 85.7 | Confident | 78 | Confident | 4.4 Ų | 4.4 | 60.9 Ų | 60.9 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.4 | -35.2 | -179.1 | -12.5 | 0 | 0 | 0 | 0 | 112.7 | A1832 I1833 R1834 E1839 I1840 H1863 L1864 | A1832-S1836 WeakPolarHBondContact O-CB 3.37Å; A1832-S1836 PolarHBondContact O-N 3.06Å; A1832-S1836 PolarHBondContact O-OG 3.19Å; A1832-S1836 VanDerWaalsContact O-OG 3.1Å; I1833-S1836 PolarHBondContact O-N 2.91Å; I1833-S1836 VanDerWaalsContact O-N 3.09Å; I1833-S1836 PolarHBondContact O-OG 3.32Å; R1834-S1836 PolarHBondContact O-N 3.47Å; S1836-E1839 PolarHBondContact O-N 3.35Å; S1836-I1840 WeakPolarHBondContact O-CD1 3.42Å; S1836-I1840 VanDerWaalsContact O-CG1 3.26Å; S1836-I1840 WeakPolarHBondContact O-CG1 3.31Å; S1836-I1840 PolarHBondContact O-N 3.15Å; S1836-I1840 VanDerWaalsContact O-N 3.12Å; S1836-H1863 PolarHBondContact OG-ND1 3.18Å; S1836-L1864 WeakPolarHBondContact OG-CB 3.39Å; S1836-L1864 VanDerWaalsContact OG-CD1 3.3Å; S1836-L1864 WeakPolarHBondContact OG-CD1 3.32Å |
| 1837 | V | 86.7 | Confident | 76.3 | Confident | 2.2 Ų | 2.2 | 63.8 Ų | 63.8 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 174 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | I1833 R1834 K1835 E1839 I1840 C1841 L1864 S1932 E1936 | I1833-V1837 HydrophobicContact CG2-CG2 4.46Å; I1833-V1837 WeakPolarHBondContact O-CG2 3.41Å; I1833-V1837 PolarHBondContact O-N 3.28Å; R1834-V1837 PolarHBondContact O-N 3.15Å; K1835-V1837 VanDerWaalsContact C-N 3.33Å; K1835-V1837 PolarHBondContact O-N 3.06Å; V1837-E1839 VanDerWaalsContact C-N 3.33Å; V1837-E1839 PolarHBondContact O-N 3.18Å; V1837-I1840 PolarHBondContact O-N 2.99Å; V1837-C1841 WeakPolarHBondContact O-CB 3.36Å; V1837-C1841 PolarHBondContact O-N 3.21Å; V1837-C1841 PolarHBondContact O-SG 3.18Å; V1837-C1841 VanDerWaalsContact O-SG 3.37Å; V1837-L1864 HydrophobicContact CG2-CD1 3.8Å; V1837-L1864 HydrophobicContact CG2-CD2 3.83Å; V1837-L1864 HydrophobicContact CG2-CG 4.43Å; V1837-S1932 WeakPolarHBondContact CG2-O 3.34Å; V1837-E1936 HydrophobicContact CG1-CB 4.44Å; V1837-E1936 WeakPolarHBondContact CG1-OE2 3.3Å; V1837-E1936 HydrophobicContact CG2-CB 4.3Å |
| 1838 | S | 84.1 | Confident | 74.6 | Confident | 62.2 Ų | 62.2 | 64.1 Ų | 64.1 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 177 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | R1834 K1835 C1841 Q1842 | R1834-S1838 WeakPolarHBondContact O-CB 3.3Å; R1834-S1838 PolarHBondContact O-N 3.18Å; R1834-S1838 VanDerWaalsContact O-N 3.07Å; R1834-S1838 PolarHBondContact O-OG 3.05Å; K1835-S1838 WeakPolarHBondContact O-CB 3.33Å; K1835-S1838 PolarHBondContact O-N 2.96Å; S1838-C1841 PolarHBondContact O-N 3.12Å; S1838-Q1842 VanDerWaalsContact O-CB 3.28Å; S1838-Q1842 WeakPolarHBondContact O-CB 3.33Å; S1838-Q1842 VanDerWaalsContact O-CG 3.24Å; S1838-Q1842 WeakPolarHBondContact O-CG 3.45Å; S1838-Q1842 PolarHBondContact O-N 3.04Å |
| 1839 | E | 83.4 | Confident | 72.5 | Confident | 75.4 Ų | 75.4 | 64.3 Ų | 64.3 | 35% | 0.352 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.5 | -72.8 | 171.1 | -174.6 | 0 | 0 | 112.4 | K1835 S1836 V1837 S1843 T1860 | K1835-E1839 WeakPolarHBondContact CE-OE1 3.35Å; K1835-E1839 IonicContact NZ-OE1 2.92Å; K1835-E1839 PolarHBondContact NZ-OE1 3.21Å; K1835-E1839 WeakPolarHBondContact O-CG 3.34Å; K1835-E1839 PolarHBondContact O-N 3.4Å; K1835-E1839 VanDerWaalsContact O-N 3.14Å; S1836-E1839 PolarHBondContact O-N 3.35Å; V1837-E1839 VanDerWaalsContact C-N 3.33Å; V1837-E1839 PolarHBondContact O-N 3.18Å; E1839-S1843 WeakPolarHBondContact O-CB 3.19Å; E1839-S1843 PolarHBondContact O-N 3.13Å; E1839-S1843 VanDerWaalsContact O-N 3.08Å; E1839-S1843 PolarHBondContact O-OG 3.15Å; E1839-T1860 HydrophobicContact CB-CG2 4.07Å; E1839-T1860 VanDerWaalsContact OE2-CG2 3.3Å; E1839-T1860 WeakPolarHBondContact OE2-CG2 3.36Å |
| 1840 | I | 81.5 | Confident | 70.3 | Confident | 0.8 Ų | 0.8 | 72.5 Ų | 72.5 | 0% | 0.004 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 176.9 | -66.5 | 164.4 | 0 | 0 | 0 | 110.7 | S1836 V1837 S1843 I1857 T1860 A1861 L1864 L1928 C1929 | S1836-I1840 WeakPolarHBondContact O-CD1 3.42Å; S1836-I1840 VanDerWaalsContact O-CG1 3.26Å; S1836-I1840 WeakPolarHBondContact O-CG1 3.31Å; S1836-I1840 PolarHBondContact O-N 3.15Å; S1836-I1840 VanDerWaalsContact O-N 3.12Å; V1837-I1840 PolarHBondContact O-N 2.99Å; I1840-S1843 WeakPolarHBondContact O-CB 3.36Å; I1840-S1843 PolarHBondContact O-N 3.15Å; I1840-S1843 PolarHBondContact O-OG 3.19Å; I1840-I1857 HydrophobicContact CG2-CG2 4.48Å; I1840-T1860 HydrophobicContact CD1-CG2 4.24Å; I1840-T1860 HydrophobicContact CG1-CG2 3.91Å; I1840-A1861 HydrophobicContact CD1-CB 3.96Å; I1840-L1864 HydrophobicContact CD1-CD2 3.8Å; I1840-L1928 HydrophobicContact CG2-CD2 4.26Å; I1840-L1928 HydrophobicContact CG2-CG 4.21Å; I1840-C1929 PolarHBondContact O-SG 3.32Å |
| 1841 | C | 78.9 | Confident | 68.2 | Low | 40.4 Ų | 40.4 | 81.1 Ų | 81.1 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.9 | -34.6 | 179.4 | -68.8 | 0 | 0 | 0 | 0 | 112.8 | V1837 S1838 S1843 Q1844 | V1837-C1841 WeakPolarHBondContact O-CB 3.36Å; V1837-C1841 PolarHBondContact O-N 3.21Å; V1837-C1841 PolarHBondContact O-SG 3.18Å; V1837-C1841 VanDerWaalsContact O-SG 3.37Å; S1838-C1841 PolarHBondContact O-N 3.12Å; C1841-S1843 VanDerWaalsContact C-N 3.3Å; C1841-S1843 PolarHBondContact O-N 3.2Å; C1841-Q1844 VanDerWaalsContact O-CB 3.27Å; C1841-Q1844 WeakPolarHBondContact O-CB 3.39Å; C1841-Q1844 PolarHBondContact O-N 3.21Å; C1841-Q1844 VanDerWaalsContact O-N 3.14Å |
| 1842 | Q | 72.3 | Confident | 66.2 | Low | 117.6 Ų | 117.6 | 85.5 Ų | 85.5 | 55% | 0.55 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 176.6 | -118.4 | 171.7 | 6.7 | 0 | 0 | 112.3 | S1838 Q1844 N1845 E1846 | S1838-Q1842 VanDerWaalsContact O-CB 3.28Å; S1838-Q1842 WeakPolarHBondContact O-CB 3.33Å; S1838-Q1842 VanDerWaalsContact O-CG 3.24Å; S1838-Q1842 WeakPolarHBondContact O-CG 3.45Å; S1838-Q1842 PolarHBondContact O-N 3.04Å; Q1842-Q1844 PolarHBondContact O-N 3.21Å; Q1842-Q1844 VanDerWaalsContact O-N 3.15Å; Q1842-N1845 WeakPolarHBondContact O-CB 3.15Å; Q1842-N1845 PolarHBondContact O-N 3.1Å; Q1842-E1846 PolarHBondContact O-N 3.09Å |
| 1843 | S | 61 | Low | 64.6 | Low | 33.4 Ų | 33.4 | 86.8 Ų | 86.8 | 23% | 0.234 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.1 | -18.7 | 178.2 | 9.1 | 0 | 0 | 0 | 0 | 113.7 | E1839 I1840 C1841 N1845 E1846 A1847 | E1839-S1843 WeakPolarHBondContact O-CB 3.19Å; E1839-S1843 PolarHBondContact O-N 3.13Å; E1839-S1843 VanDerWaalsContact O-N 3.08Å; E1839-S1843 PolarHBondContact O-OG 3.15Å; I1840-S1843 WeakPolarHBondContact O-CB 3.36Å; I1840-S1843 PolarHBondContact O-N 3.15Å; I1840-S1843 PolarHBondContact O-OG 3.19Å; C1841-S1843 VanDerWaalsContact C-N 3.3Å; C1841-S1843 PolarHBondContact O-N 3.2Å; S1843-N1845 VanDerWaalsContact C-N 3.28Å; S1843-N1845 PolarHBondContact O-N 3.18Å; S1843-E1846 PolarHBondContact O-N 3.46Å; S1843-A1847 WeakPolarHBondContact O-CB 3.39Å; S1843-A1847 PolarHBondContact O-N 3.16Å |
| 1844 | Q | 54 | Low | 63.2 | Low | 93.6 Ų | 93.6 | 89 Ų | 89 | 44% | 0.437 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -29 | 173.2 | -154.4 | -178 | -8.8 | 0 | 0 | 112.9 | C1841 Q1842 I1925 C1929 | C1841-Q1844 VanDerWaalsContact O-CB 3.27Å; C1841-Q1844 WeakPolarHBondContact O-CB 3.39Å; C1841-Q1844 PolarHBondContact O-N 3.21Å; C1841-Q1844 VanDerWaalsContact O-N 3.14Å; Q1842-Q1844 PolarHBondContact O-N 3.21Å; Q1842-Q1844 VanDerWaalsContact O-N 3.15Å; Q1844-I1925 HydrophobicContact CB-CG2 4.42Å; Q1844-I1925 HydrophobicContact CG-CG2 4.17Å; Q1844-C1929 PolarHBondContact OE1-SG 2.87Å; Q1844-C1929 VanDerWaalsContact OE1-SG 3.34Å |
| 1845 | N | 52.1 | Low | 62.3 | Low | 134.2 Ų | 134.2 | 90.8 Ų | 90.8 | 72% | 0.718 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -82.7 | -20.8 | -176.6 | -74 | -24.4 | 0 | 0 | 0 | 113.5 | Q1842 S1843 | Q1842-N1845 WeakPolarHBondContact O-CB 3.15Å; Q1842-N1845 PolarHBondContact O-N 3.1Å; S1843-N1845 VanDerWaalsContact C-N 3.28Å; S1843-N1845 PolarHBondContact O-N 3.18Å |
| 1846 | E | 48.3 | Very low | 61.6 | Low | 158.2 Ų | 158.2 | 91.3 Ų | 91.3 | 74% | 0.739 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -94.3 | 0.3 | -179.6 | -66.8 | -173.1 | 165.7 | 0 | 0 | 113.4 | Q1842 S1843 S1848 S1849 | Q1842-E1846 PolarHBondContact O-N 3.09Å; S1843-E1846 PolarHBondContact O-N 3.46Å; E1846-S1848 PolarHBondContact O-N 3.09Å; E1846-S1848 VanDerWaalsContact O-N 3.13Å; E1846-S1849 PolarHBondContact O-N 3.06Å |
| 1847 | A | 44.7 | Very low | 61.1 | Low | 66 Ų | 66 | 91.9 Ų | 91.9 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | trans | -75 | 41.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1843 S1849 | S1843-A1847 WeakPolarHBondContact O-CB 3.39Å; S1843-A1847 PolarHBondContact O-N 3.16Å; A1847-S1849 VanDerWaalsContact C-N 3.27Å; A1847-S1849 PolarHBondContact O-N 3.07Å | ||
| 1848 | S | 45.4 | Very low | 60.7 | Low | 108.8 Ų | 108.8 | 93.5 Ų | 93.5 | 76% | 0.761 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 32.1 | 167.8 | 74.4 | 0 | 0 | 0 | 0 | 112.8 | E1846 | E1846-S1848 PolarHBondContact O-N 3.09Å; E1846-S1848 VanDerWaalsContact O-N 3.13Å |
| 1849 | S | 40.3 | Very low | 60.6 | Low | 103.4 Ų | 103.4 | 93.2 Ų | 93.2 | 72% | 0.723 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -131.1 | 60.7 | -178.5 | 48.9 | 0 | 0 | 0 | 0 | 117.1 | E1846 A1847 E1851 | E1846-S1849 PolarHBondContact O-N 3.06Å; A1847-S1849 VanDerWaalsContact C-N 3.27Å; A1847-S1849 PolarHBondContact O-N 3.07Å; S1849-E1851 PolarHBondContact O-N 3.4Å |
| 1850 | K | 38.1 | Very low | 60.6 | Low | 193 Ų | 193 | 91.1 Ų | 91.1 | 84% | 0.839 | 50% | 0.5 | S | S | * | . | trans | -135.8 | 123.3 | 158.1 | -78.1 | 173.4 | -179.5 | 174.2 | 0 | 114.6 | L1852 P1853 | K1850-L1852 PolarHBondContact O-N 3.24Å; K1850-P1853 WeakPolarHBondContact O-CD 3.42Å; K1850-P1853 WeakPolarHBondContact O-CG 3.1Å | ||
| 1851 | E | 42.9 | Very low | 60.8 | Low | 187.2 Ų | 187.2 | 91.1 Ų | 91.1 | 88% | 0.875 | 50% | 0.5 | S | S | * | . | trans | -110.3 | 129.8 | 160.4 | -79.3 | 167.5 | 172.8 | 0 | 0 | 111.9 | S1849 | S1849-E1851 PolarHBondContact O-N 3.4Š| ||
| 1852 | L | 44.1 | Very low | 61.2 | Low | 148.2 Ų | 148.2 | 91.3 Ų | 91.3 | 78% | 0.776 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 32.1 | 132.4 | 174.1 | -92.2 | 83.9 | 0 | 0 | 0 | 115.6 | K1850 S1854 | K1850-L1852 PolarHBondContact O-N 3.24Å; L1852-S1854 PolarHBondContact O-N 3.07Å; L1852-S1854 VanDerWaalsContact O-N 3.15Å |
| 1853 | P | 51.8 | Low | 61.9 | Low | 47.6 Ų | 47.6 | 89.4 Ų | 89.4 | 31% | 0.309 | 49% | 0.489 | S | S | . | . | trans | -67.2 | 103.6 | 167.9 | 28.6 | -25.8 | 0 | 0 | 0 | 108.3 | K1850 L1855 I1857 T1921 I1925 | K1850-P1853 WeakPolarHBondContact O-CD 3.42Å; K1850-P1853 WeakPolarHBondContact O-CG 3.1Å; P1853-L1855 PolarHBondContact O-N 3.08Å; P1853-I1857 WeakPolarHBondContact O-CG1 3.36Å; P1853-I1857 PolarHBondContact O-N 2.89Å; P1853-T1921 HydrophobicContact CB-CG2 4Å; P1853-T1921 VanDerWaalsContact CD-CG2 3.41Å; P1853-T1921 HydrophobicContact CG-CG2 3.76Å; P1853-T1921 VanDerWaalsContact CG-CG2 3.48Å; P1853-I1925 HydrophobicContact CB-CD1 4.44Å | ||
| 1854 | S | 58.3 | Low | 63.3 | Low | 47.2 Ų | 47.2 | 87.8 Ų | 87.8 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | trans | -60.6 | 132.9 | -177.5 | 60.4 | 0 | 0 | 0 | 0 | 110.2 | L1852 E1856 I1857 L1858 | L1852-S1854 PolarHBondContact O-N 3.07Å; L1852-S1854 VanDerWaalsContact O-N 3.15Å; S1854-E1856 CarbonylContact O-C 3.57Å; S1854-E1856 PolarHBondContact O-N 3.19Å; S1854-E1856 VanDerWaalsContact O-N 3.09Å; S1854-I1857 PolarHBondContact O-N 3.23Å; S1854-I1857 WeakPolarHBondContact OG-CD1 3.36Å; S1854-I1857 WeakPolarHBondContact OG-CG1 2.85Å; S1854-L1858 WeakPolarHBondContact O-CB 3.43Å; S1854-L1858 WeakPolarHBondContact O-CD1 3.44Å; S1854-L1858 VanDerWaalsContact O-CG 3.24Å; S1854-L1858 WeakPolarHBondContact O-CG 3.09Å; S1854-L1858 PolarHBondContact O-N 3.15Å | ||
| 1855 | L | 67.9 | Low | 65 | Low | 147.6 Ų | 147.6 | 83.3 Ų | 83.3 | 77% | 0.773 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -54.5 | -29.3 | 175.5 | -172.1 | 73.7 | 0 | 0 | 0 | 111.7 | P1853 L1858 A1859 | P1853-L1855 PolarHBondContact O-N 3.08Å; L1855-L1858 PolarHBondContact O-N 3.03Å; L1855-A1859 WeakPolarHBondContact O-CB 3.38Å; L1855-A1859 PolarHBondContact O-N 3.1Å |
| 1856 | E | 72.4 | Confident | 66.8 | Low | 145.6 Ų | 145.6 | 81.2 Ų | 81.2 | 68% | 0.68 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.4 | -47.3 | 176.4 | -66.2 | 174.2 | 163.5 | 0 | 0 | 112.8 | S1854 L1858 A1859 T1860 | S1854-E1856 CarbonylContact O-C 3.57Å; S1854-E1856 PolarHBondContact O-N 3.19Å; S1854-E1856 VanDerWaalsContact O-N 3.09Å; E1856-L1858 VanDerWaalsContact C-N 3.3Å; E1856-L1858 PolarHBondContact O-N 3.24Å; E1856-A1859 CarbonylContact O-C 3.5Å; E1856-A1859 WeakPolarHBondContact O-CA 3.39Å; E1856-A1859 WeakPolarHBondContact O-CB 3.44Å; E1856-A1859 PolarHBondContact O-N 3.21Å; E1856-T1860 WeakPolarHBondContact O-CB 3.49Å; E1856-T1860 WeakPolarHBondContact O-CG2 3.39Å; E1856-T1860 PolarHBondContact O-N 2.96Å; E1856-T1860 PolarHBondContact O-OG1 3.29Å |
| 1857 | I | 75.2 | Confident | 68.8 | Low | 17.8 Ų | 17.8 | 77.4 Ų | 77.4 | 9% | 0.091 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 179.1 | -64.4 | 166.3 | 0 | 0 | 0 | 110.9 | I1840 P1853 S1854 A1859 T1860 A1861 I1925 L1928 | I1840-I1857 HydrophobicContact CG2-CG2 4.48Å; P1853-I1857 WeakPolarHBondContact O-CG1 3.36Å; P1853-I1857 PolarHBondContact O-N 2.89Å; S1854-I1857 PolarHBondContact O-N 3.23Å; S1854-I1857 WeakPolarHBondContact OG-CD1 3.36Å; S1854-I1857 WeakPolarHBondContact OG-CG1 2.85Å; I1857-A1859 VanDerWaalsContact C-N 3.32Å; I1857-A1859 PolarHBondContact O-N 3.1Å; I1857-T1860 WeakPolarHBondContact CA-OG1 3.26Å; I1857-T1860 PolarHBondContact O-N 3.12Å; I1857-T1860 PolarHBondContact O-OG1 3.04Å; I1857-A1861 VanDerWaalsContact O-CB 3.27Å; I1857-A1861 WeakPolarHBondContact O-CB 3.41Å; I1857-A1861 PolarHBondContact O-N 3.29Å; I1857-I1925 HydrophobicContact CD1-CD1 4.28Å; I1857-I1925 HydrophobicContact CD1-CG1 4.46Å; I1857-L1928 HydrophobicContact CG2-CD1 4.48Å; I1857-L1928 HydrophobicContact CG2-CD2 3.77Å |
| 1858 | L | 78.3 | Confident | 70.9 | Confident | 34.6 Ų | 34.6 | 74.3 Ų | 74.3 | 18% | 0.181 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.5 | -31.4 | 175.3 | -71.8 | 173.3 | 0 | 0 | 0 | 112.2 | S1854 L1855 E1856 N1862 I1909 S1912 L1928 | S1854-L1858 WeakPolarHBondContact O-CB 3.43Å; S1854-L1858 WeakPolarHBondContact O-CD1 3.44Å; S1854-L1858 VanDerWaalsContact O-CG 3.24Å; S1854-L1858 WeakPolarHBondContact O-CG 3.09Å; S1854-L1858 PolarHBondContact O-N 3.15Å; L1855-L1858 PolarHBondContact O-N 3.03Å; E1856-L1858 VanDerWaalsContact C-N 3.3Å; E1856-L1858 PolarHBondContact O-N 3.24Å; L1858-N1862 VanDerWaalsContact O-CB 3.28Å; L1858-N1862 WeakPolarHBondContact O-CB 3.32Å; L1858-N1862 PolarHBondContact O-N 3.14Å; L1858-N1862 VanDerWaalsContact O-N 3.1Å; L1858-I1909 HydrophobicContact CD2-CB 4.32Å; L1858-I1909 HydrophobicContact CD2-CG1 4.28Å; L1858-I1909 HydrophobicContact CD2-CG2 4.31Å; L1858-S1912 VanDerWaalsContact CD2-OG 3.29Å; L1858-S1912 WeakPolarHBondContact CD2-OG 3.21Å; L1858-L1928 HydrophobicContact CD2-CD1 4.08Å |
| 1859 | A | 82.6 | Confident | 73.1 | Confident | 56.4 Ų | 56.4 | 71.6 Ų | 71.6 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.4 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1855 E1856 I1857 N1862 H1863 | L1855-A1859 WeakPolarHBondContact O-CB 3.38Å; L1855-A1859 PolarHBondContact O-N 3.1Å; E1856-A1859 CarbonylContact O-C 3.5Å; E1856-A1859 WeakPolarHBondContact O-CA 3.39Å; E1856-A1859 WeakPolarHBondContact O-CB 3.44Å; E1856-A1859 PolarHBondContact O-N 3.21Å; I1857-A1859 VanDerWaalsContact C-N 3.32Å; I1857-A1859 PolarHBondContact O-N 3.1Å; A1859-N1862 WeakPolarHBondContact O-CB 3.31Å; A1859-N1862 PolarHBondContact O-N 3.16Å; A1859-H1863 WeakPolarHBondContact O-CB 3.49Å; A1859-H1863 PolarHBondContact O-N 3.12Å |
| 1860 | T | 83.4 | Confident | 75.5 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.4 | -11.7 | 0 | 0 | 0 | 0 | 111.3 | E1839 I1840 E1856 I1857 N1862 H1863 L1864 | E1839-T1860 HydrophobicContact CB-CG2 4.07Å; E1839-T1860 VanDerWaalsContact OE2-CG2 3.3Å; E1839-T1860 WeakPolarHBondContact OE2-CG2 3.36Å; I1840-T1860 HydrophobicContact CD1-CG2 4.24Å; I1840-T1860 HydrophobicContact CG1-CG2 3.91Å; E1856-T1860 WeakPolarHBondContact O-CB 3.49Å; E1856-T1860 WeakPolarHBondContact O-CG2 3.39Å; E1856-T1860 PolarHBondContact O-N 2.96Å; E1856-T1860 PolarHBondContact O-OG1 3.29Å; I1857-T1860 WeakPolarHBondContact CA-OG1 3.26Å; I1857-T1860 PolarHBondContact O-N 3.12Å; I1857-T1860 PolarHBondContact O-OG1 3.04Å; T1860-N1862 VanDerWaalsContact C-N 3.33Å; T1860-N1862 PolarHBondContact O-N 3.18Å; T1860-H1863 CarbonylContact O-C 3.57Å; T1860-H1863 WeakPolarHBondContact O-CA 3.29Å; T1860-H1863 WeakPolarHBondContact O-CB 3.36Å; T1860-H1863 PolarHBondContact O-N 3.25Å; T1860-H1863 VanDerWaalsContact O-N 3.13Å; T1860-L1864 WeakPolarHBondContact O-CB 3.35Å; T1860-L1864 PolarHBondContact O-N 3.2Å |
| 1861 | A | 85.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1840 I1857 H1863 L1864 A1865 I1905 I1909 L1928 | I1840-A1861 HydrophobicContact CD1-CB 3.96Å; I1857-A1861 VanDerWaalsContact O-CB 3.27Å; I1857-A1861 WeakPolarHBondContact O-CB 3.41Å; I1857-A1861 PolarHBondContact O-N 3.29Å; A1861-H1863 VanDerWaalsContact C-N 3.31Å; A1861-L1864 WeakPolarHBondContact O-CB 3.38Å; A1861-L1864 PolarHBondContact O-N 3Å; A1861-A1865 PolarHBondContact O-N 3.19Å; A1861-A1865 VanDerWaalsContact O-N 3.09Å; A1861-I1905 HydrophobicContact CB-CG2 4.24Å; A1861-I1909 HydrophobicContact CB-CD1 3.87Å; A1861-I1909 HydrophobicContact CB-CG1 4.23Å; A1861-L1928 HydrophobicContact CB-CD1 3.84Å; A1861-L1928 HydrophobicContact CB-CD2 3.9Å; A1861-L1928 HydrophobicContact CB-CG 4.23Å |
| 1862 | N | 87 | Confident | 80.1 | Confident | 45.4 Ų | 45.4 | 52.4 Ų | 52.4 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 173.9 | -168.3 | 42.1 | 0 | 0 | 0 | 111.1 | L1858 A1859 T1860 A1865 Q1866 F1906 I1909 | L1858-N1862 VanDerWaalsContact O-CB 3.28Å; L1858-N1862 WeakPolarHBondContact O-CB 3.32Å; L1858-N1862 PolarHBondContact O-N 3.14Å; L1858-N1862 VanDerWaalsContact O-N 3.1Å; A1859-N1862 WeakPolarHBondContact O-CB 3.31Å; A1859-N1862 PolarHBondContact O-N 3.16Å; T1860-N1862 VanDerWaalsContact C-N 3.33Å; T1860-N1862 PolarHBondContact O-N 3.18Å; N1862-A1865 PolarHBondContact O-N 3.15Å; N1862-Q1866 PolarHBondContact ND2-NE2 3.38Å; N1862-Q1866 VanDerWaalsContact ND2-NE2 3.18Å; N1862-Q1866 WeakPolarHBondContact O-CB 3.3Å; N1862-Q1866 VanDerWaalsContact O-CG 3.26Å; N1862-Q1866 WeakPolarHBondContact O-CG 3.32Å; N1862-Q1866 PolarHBondContact O-N 3Å; N1862-F1906 VanDerWaalsContact OD1-CE1 3.31Å; N1862-F1906 WeakPolarHBondContact OD1-CE1 3.43Å; N1862-F1906 WeakPolarHBondContact OD1-CZ 3.25Å; N1862-I1909 HydrophobicContact CB-CD1 4.19Å |
| 1863 | H | 88 | Confident | 82.2 | Confident | 76.8 Ų | 76.8 | 51.2 Ų | 51.2 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 174.2 | -168.1 | -63.3 | 0 | 0 | 0 | 111.9 | S1836 A1859 T1860 A1861 A1865 Q1866 R1867 | S1836-H1863 PolarHBondContact OG-ND1 3.18Å; A1859-H1863 WeakPolarHBondContact O-CB 3.49Å; A1859-H1863 PolarHBondContact O-N 3.12Å; T1860-H1863 CarbonylContact O-C 3.57Å; T1860-H1863 WeakPolarHBondContact O-CA 3.29Å; T1860-H1863 WeakPolarHBondContact O-CB 3.36Å; T1860-H1863 PolarHBondContact O-N 3.25Å; T1860-H1863 VanDerWaalsContact O-N 3.13Å; A1861-H1863 VanDerWaalsContact C-N 3.31Å; H1863-A1865 PolarHBondContact O-N 2.97Å; H1863-Q1866 WeakPolarHBondContact O-CB 3.41Å; H1863-Q1866 PolarHBondContact O-N 3.13Å; H1863-R1867 PolarHBondContact CE1-NE 3.21Å; H1863-R1867 VanDerWaalsContact CE1-NE 3.31Å; H1863-R1867 PolarHBondContact NE2-NE 3.34Å; H1863-R1867 VanDerWaalsContact NE2-NE 3.12Å; H1863-R1867 WeakPolarHBondContact O-CB 3.29Å; H1863-R1867 WeakPolarHBondContact O-CG 3.31Å; H1863-R1867 PolarHBondContact O-N 3.06Å |
| 1864 | L | 89.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.6 | -52 | 174.3 | 171.8 | 58.5 | 0 | 0 | 0 | 111.4 | I1833 S1836 V1837 I1840 T1860 A1861 Q1866 R1867 A1868 I1905 S1932 L1935 | I1833-L1864 HydrophobicContact CB-CD1 4.18Å; I1833-L1864 HydrophobicContact CG1-CD1 4.25Å; I1833-L1864 HydrophobicContact CG2-CD1 3.74Å; S1836-L1864 WeakPolarHBondContact OG-CB 3.39Å; S1836-L1864 VanDerWaalsContact OG-CD1 3.3Å; S1836-L1864 WeakPolarHBondContact OG-CD1 3.32Å; V1837-L1864 HydrophobicContact CG2-CD1 3.8Å; V1837-L1864 HydrophobicContact CG2-CD2 3.83Å; V1837-L1864 HydrophobicContact CG2-CG 4.43Å; I1840-L1864 HydrophobicContact CD1-CD2 3.8Å; T1860-L1864 WeakPolarHBondContact O-CB 3.35Å; T1860-L1864 PolarHBondContact O-N 3.2Å; A1861-L1864 WeakPolarHBondContact O-CB 3.38Å; A1861-L1864 PolarHBondContact O-N 3Å; L1864-Q1866 VanDerWaalsContact C-N 3.33Å; L1864-Q1866 PolarHBondContact O-N 3.02Å; L1864-R1867 PolarHBondContact O-N 3.12Å; L1864-A1868 PolarHBondContact O-N 3.27Å; L1864-I1905 HydrophobicContact CD2-CD1 3.8Å; L1864-I1905 HydrophobicContact CG-CD1 4.19Å; L1864-S1932 VanDerWaalsContact CD2-OG 3.25Å; L1864-S1932 WeakPolarHBondContact CD2-OG 3.45Å; L1864-L1935 HydrophobicContact CD1-CD2 3.8Å; L1864-L1935 HydrophobicContact CD2-CD2 4.32Å; L1864-L1935 HydrophobicContact CG-CD2 3.84Å |
| 1865 | A | 88.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.6 | -36.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1861 N1862 H1863 T1869 I1905 F1906 | A1861-A1865 PolarHBondContact O-N 3.19Å; A1861-A1865 VanDerWaalsContact O-N 3.09Å; N1862-A1865 PolarHBondContact O-N 3.15Å; H1863-A1865 PolarHBondContact O-N 2.97Å; A1865-T1869 WeakPolarHBondContact O-CB 3.33Å; A1865-T1869 WeakPolarHBondContact O-CG2 3.45Å; A1865-T1869 PolarHBondContact O-N 3.14Å; A1865-T1869 VanDerWaalsContact O-N 3.08Å; A1865-T1869 PolarHBondContact O-OG1 3.23Å; A1865-I1905 HydrophobicContact CB-CB 4.4Å; A1865-I1905 HydrophobicContact CB-CG2 4.13Å; A1865-F1906 HydrophobicContact CB-CD1 4.32Å; A1865-F1906 HydrophobicContact CB-CD2 3.71Å; A1865-F1906 HydrophobicContact CB-CE1 4.03Å; A1865-F1906 HydrophobicContact CB-CE2 3.43Å; A1865-F1906 VanDerWaalsContact CB-CE2 3.45Å; A1865-F1906 HydrophobicContact CB-CG 4.23Å; A1865-F1906 HydrophobicContact CB-CZ 3.72Å; A1865-F1906 VanDerWaalsContact CB-CZ 3.5Å |
| 1866 | Q | 91.1 | Very high | 85.6 | Confident | 89.4 Ų | 89.4 | 49.7 Ų | 49.7 | 42% | 0.418 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 172.9 | -83.4 | 176.7 | -3.9 | 0 | 0 | 112.3 | N1862 H1863 L1864 A1868 T1869 Q1870 F1906 | N1862-Q1866 PolarHBondContact ND2-NE2 3.38Å; N1862-Q1866 VanDerWaalsContact ND2-NE2 3.18Å; N1862-Q1866 WeakPolarHBondContact O-CB 3.3Å; N1862-Q1866 VanDerWaalsContact O-CG 3.26Å; N1862-Q1866 WeakPolarHBondContact O-CG 3.32Å; N1862-Q1866 PolarHBondContact O-N 3Å; H1863-Q1866 WeakPolarHBondContact O-CB 3.41Å; H1863-Q1866 PolarHBondContact O-N 3.13Å; L1864-Q1866 VanDerWaalsContact C-N 3.33Å; L1864-Q1866 PolarHBondContact O-N 3.02Å; Q1866-A1868 PolarHBondContact O-N 3.04Å; Q1866-T1869 WeakPolarHBondContact CA-OG1 3.33Å; Q1866-T1869 WeakPolarHBondContact O-CB 3.3Å; Q1866-T1869 PolarHBondContact O-N 3.23Å; Q1866-T1869 PolarHBondContact O-OG1 2.97Å; Q1866-Q1870 WeakPolarHBondContact O-CG 3.35Å; Q1866-Q1870 PolarHBondContact O-N 3.19Å; Q1866-F1906 HydrophobicContact CG-CZ 4.34Å |
| 1867 | R | 89 | Confident | 85.9 | Confident | 79.2 Ų | 79.2 | 46.2 Ų | 46.2 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65 | -40.6 | 178.7 | -71.9 | -61.5 | -172.1 | 170.3 | 8.7 | 112.3 | H1829 A1832 I1833 H1863 L1864 T1869 Q1870 L1871 | H1829-R1867 PolarHBondContact CE1-NH1 3.37Å; H1829-R1867 WeakPolarHBondContact ND1-CD 3.44Å; H1829-R1867 PolarHBondContact ND1-NH1 3.47Å; A1832-R1867 HydrophobicContact CB-CG 4.18Å; I1833-R1867 HydrophobicContact CD1-CB 4.46Å; I1833-R1867 HydrophobicContact CG1-CB 3.91Å; H1863-R1867 PolarHBondContact CE1-NE 3.21Å; H1863-R1867 VanDerWaalsContact CE1-NE 3.31Å; H1863-R1867 PolarHBondContact NE2-NE 3.34Å; H1863-R1867 VanDerWaalsContact NE2-NE 3.12Å; H1863-R1867 WeakPolarHBondContact O-CB 3.29Å; H1863-R1867 WeakPolarHBondContact O-CG 3.31Å; H1863-R1867 PolarHBondContact O-N 3.06Å; L1864-R1867 PolarHBondContact O-N 3.12Å; R1867-T1869 VanDerWaalsContact C-N 3.33Å; R1867-T1869 PolarHBondContact O-N 2.98Å; R1867-Q1870 VanDerWaalsContact CD-OE1 3.26Å; R1867-Q1870 PolarHBondContact O-N 3.1Å; R1867-L1871 PolarHBondContact O-N 3.28Å |
| 1868 | A | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1833 L1864 Q1866 Q1870 L1871 C1872 V1898 A1902 L1935 | I1833-A1868 HydrophobicContact CD1-CB 4.26Å; L1864-A1868 PolarHBondContact O-N 3.27Å; Q1866-A1868 PolarHBondContact O-N 3.04Å; A1868-Q1870 VanDerWaalsContact C-N 3.33Å; A1868-Q1870 PolarHBondContact O-N 3.17Å; A1868-L1871 WeakPolarHBondContact O-CB 3.34Å; A1868-L1871 PolarHBondContact O-N 2.99Å; A1868-C1872 PolarHBondContact O-N 3.11Å; A1868-C1872 PolarHBondContact O-SG 3.22Å; A1868-V1898 HydrophobicContact CB-CG1 4.35Å; A1868-A1902 HydrophobicContact CB-CB 3.97Å; A1868-L1935 HydrophobicContact CB-CD1 4.03Å; A1868-L1935 HydrophobicContact CB-CD2 3.91Å; A1868-L1935 HydrophobicContact CB-CG 4.4Å |
| 1869 | T | 90.3 | Very high | 85.7 | Confident | 52 Ų | 52 | 45.6 Ų | 45.6 | 32% | 0.319 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 176.3 | -37.2 | 0 | 0 | 0 | 0 | 112.3 | A1865 Q1866 R1867 C1872 Q1873 A1902 F1906 | A1865-T1869 WeakPolarHBondContact O-CB 3.33Å; A1865-T1869 WeakPolarHBondContact O-CG2 3.45Å; A1865-T1869 PolarHBondContact O-N 3.14Å; A1865-T1869 VanDerWaalsContact O-N 3.08Å; A1865-T1869 PolarHBondContact O-OG1 3.23Å; Q1866-T1869 WeakPolarHBondContact CA-OG1 3.33Å; Q1866-T1869 WeakPolarHBondContact O-CB 3.3Å; Q1866-T1869 PolarHBondContact O-N 3.23Å; Q1866-T1869 PolarHBondContact O-OG1 2.97Å; R1867-T1869 VanDerWaalsContact C-N 3.33Å; R1867-T1869 PolarHBondContact O-N 2.98Å; T1869-C1872 WeakPolarHBondContact O-CB 3.42Å; T1869-C1872 PolarHBondContact O-N 3.31Å; T1869-Q1873 VanDerWaalsContact O-CG 3.32Å; T1869-Q1873 WeakPolarHBondContact O-CG 3.37Å; T1869-Q1873 PolarHBondContact O-N 3.34Å; T1869-A1902 HydrophobicContact CG2-CB 4.33Å; T1869-F1906 HydrophobicContact CG2-CE2 4.03Å |
| 1870 | Q | 90.2 | Very high | 85.3 | Confident | 71.4 Ų | 71.4 | 46.8 Ų | 46.8 | 33% | 0.334 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 174.1 | -73.8 | 175.4 | -7 | 0 | 0 | 111.5 | H1829 Q1866 R1867 A1868 C1872 Q1873 T1874 | H1829-Q1870 VanDerWaalsContact CE1-CB 3.45Å; H1829-Q1870 WeakPolarHBondContact CE1-CB 3.31Å; H1829-Q1870 PolarHBondContact CE1-OE1 3.19Å; Q1866-Q1870 WeakPolarHBondContact O-CG 3.35Å; Q1866-Q1870 PolarHBondContact O-N 3.19Å; R1867-Q1870 VanDerWaalsContact CD-OE1 3.26Å; R1867-Q1870 PolarHBondContact O-N 3.1Å; A1868-Q1870 VanDerWaalsContact C-N 3.33Å; A1868-Q1870 PolarHBondContact O-N 3.17Å; Q1870-C1872 VanDerWaalsContact C-N 3.29Å; Q1870-C1872 PolarHBondContact O-N 2.98Å; Q1870-Q1873 WeakPolarHBondContact O-CA 3.45Å; Q1870-Q1873 WeakPolarHBondContact O-CB 3.42Å; Q1870-Q1873 PolarHBondContact O-N 3.22Å; Q1870-T1874 WeakPolarHBondContact O-CG2 3.47Å; Q1870-T1874 PolarHBondContact O-N 3.25Å; Q1870-T1874 PolarHBondContact O-OG1 3.03Å |
| 1871 | L | 89.6 | Confident | 84.7 | Confident | 0.2 Ų | 0.2 | 49.3 Ų | 49.3 | 0% | 0.001 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.7 | -45.8 | 172.4 | 179.6 | 65.9 | 0 | 0 | 0 | 110.7 | I1826 H1829 I1833 R1867 A1868 Q1873 T1874 T1875 V1939 Y1942 I1943 | I1826-L1871 HydrophobicContact CG2-CD1 4.11Å; H1829-L1871 HydrophobicContact CB-CB 4.25Å; H1829-L1871 HydrophobicContact CB-CD1 4.17Å; I1833-L1871 HydrophobicContact CD1-CD2 4.15Å; R1867-L1871 PolarHBondContact O-N 3.28Å; A1868-L1871 WeakPolarHBondContact O-CB 3.34Å; A1868-L1871 PolarHBondContact O-N 2.99Å; L1871-Q1873 VanDerWaalsContact C-N 3.29Å; L1871-Q1873 PolarHBondContact O-N 3.25Å; L1871-T1874 WeakPolarHBondContact CA-OG1 3.27Å; L1871-T1874 PolarHBondContact O-N 3.28Å; L1871-T1874 PolarHBondContact O-OG1 3.19Å; L1871-T1874 VanDerWaalsContact O-OG1 3.07Å; L1871-T1875 HydrophobicContact CD1-CG2 4.06Å; L1871-T1875 WeakPolarHBondContact O-CB 3.36Å; L1871-T1875 VanDerWaalsContact O-CG2 3.27Å; L1871-T1875 WeakPolarHBondContact O-CG2 3.44Å; L1871-T1875 PolarHBondContact O-N 3.02Å; L1871-T1875 VanDerWaalsContact O-N 3.12Å; L1871-T1875 PolarHBondContact O-OG1 3.03Å; L1871-T1875 VanDerWaalsContact O-OG1 3.09Å; L1871-V1939 HydrophobicContact CD2-CG1 3.9Å; L1871-V1939 HydrophobicContact CD2-CG2 4.35Å; L1871-Y1942 HydrophobicContact CD2-CD1 4.4Å; L1871-I1943 HydrophobicContact CD1-CD1 4.24Å; L1871-I1943 HydrophobicContact CD2-CD1 4.4Å |
| 1872 | C | 88 | Confident | 83.9 | Confident | 9.6 Ų | 9.6 | 49.8 Ų | 49.8 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -30.5 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 113.9 | A1868 T1869 Q1870 T1875 R1876 L1895 | A1868-C1872 PolarHBondContact O-N 3.11Å; A1868-C1872 PolarHBondContact O-SG 3.22Å; T1869-C1872 WeakPolarHBondContact O-CB 3.42Å; T1869-C1872 PolarHBondContact O-N 3.31Å; Q1870-C1872 VanDerWaalsContact C-N 3.29Å; Q1870-C1872 PolarHBondContact O-N 2.98Å; C1872-T1875 PolarHBondContact O-OG1 3.4Å; C1872-R1876 VanDerWaalsContact O-CB 3.27Å; C1872-R1876 WeakPolarHBondContact O-CB 3.32Å; C1872-R1876 PolarHBondContact O-N 3.42Å; C1872-R1876 VanDerWaalsContact O-N 3.13Å; C1872-L1895 HydrophobicContact CB-CD1 3.92Å; C1872-L1895 HydrophobicContact CB-CD2 4.43Å; C1872-L1895 HydrophobicContact CB-CG 4.41Å; C1872-L1895 VanDerWaalsContact SG-CD1 3.56Å |
| 1873 | Q | 88.6 | Confident | 82.9 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 58% | 0.575 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -77.6 | -42.9 | 178 | -72.8 | 172.8 | 0.1 | 0 | 0 | 111.9 | T1869 Q1870 L1871 T1875 P1877 | T1869-Q1873 VanDerWaalsContact O-CG 3.32Å; T1869-Q1873 WeakPolarHBondContact O-CG 3.37Å; T1869-Q1873 PolarHBondContact O-N 3.34Å; Q1870-Q1873 WeakPolarHBondContact O-CA 3.45Å; Q1870-Q1873 WeakPolarHBondContact O-CB 3.42Å; Q1870-Q1873 PolarHBondContact O-N 3.22Å; L1871-Q1873 VanDerWaalsContact C-N 3.29Å; L1871-Q1873 PolarHBondContact O-N 3.25Å; Q1873-T1875 VanDerWaalsContact C-N 3.3Å; Q1873-T1875 PolarHBondContact O-N 3.16Å; Q1873-P1877 VanDerWaalsContact O-CD 3.27Å; Q1873-P1877 WeakPolarHBondContact O-CD 3.25Å |
| 1874 | T | 83.6 | Confident | 82 | Confident | 47.8 Ų | 47.8 | 56.5 Ų | 56.5 | 29% | 0.293 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.7 | -32.1 | 178.7 | 35.4 | 0 | 0 | 0 | 0 | 111.7 | I1826 Q1870 L1871 P1877 Y1878 | I1826-T1874 HydrophobicContact CG1-CG2 4.38Å; Q1870-T1874 WeakPolarHBondContact O-CG2 3.47Å; Q1870-T1874 PolarHBondContact O-N 3.25Å; Q1870-T1874 PolarHBondContact O-OG1 3.03Å; L1871-T1874 WeakPolarHBondContact CA-OG1 3.27Å; L1871-T1874 PolarHBondContact O-N 3.28Å; L1871-T1874 PolarHBondContact O-OG1 3.19Å; L1871-T1874 VanDerWaalsContact O-OG1 3.07Å; T1874-P1877 WeakPolarHBondContact O-CD 3.41Å; T1874-P1877 WeakPolarHBondContact O-CG 3.27Å; T1874-Y1878 WeakPolarHBondContact O-CD2 3.4Å; T1874-Y1878 VanDerWaalsContact O-CE2 3.32Å; T1874-Y1878 WeakPolarHBondContact O-CE2 3.38Å |
| 1875 | T | 83.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -90.7 | -18.3 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 115.3 | I1826 L1871 C1872 Q1873 P1877 Y1878 L1879 Y1942 L1946 | I1826-T1875 HydrophobicContact CD1-CG2 4.22Å; I1826-T1875 HydrophobicContact CG1-CG2 4.32Å; L1871-T1875 HydrophobicContact CD1-CG2 4.06Å; L1871-T1875 WeakPolarHBondContact O-CB 3.36Å; L1871-T1875 VanDerWaalsContact O-CG2 3.27Å; L1871-T1875 WeakPolarHBondContact O-CG2 3.44Å; L1871-T1875 PolarHBondContact O-N 3.02Å; L1871-T1875 VanDerWaalsContact O-N 3.12Å; L1871-T1875 PolarHBondContact O-OG1 3.03Å; L1871-T1875 VanDerWaalsContact O-OG1 3.09Å; C1872-T1875 PolarHBondContact O-OG1 3.4Å; Q1873-T1875 VanDerWaalsContact C-N 3.3Å; Q1873-T1875 PolarHBondContact O-N 3.16Å; T1875-P1877 VanDerWaalsContact C-CD 3.45Å; T1875-Y1878 HydrophobicContact CG2-CD2 4.45Å; T1875-Y1878 WeakPolarHBondContact O-CB 3.39Å; T1875-Y1878 WeakPolarHBondContact O-CD2 3.34Å; T1875-Y1878 PolarHBondContact O-N 3.31Å; T1875-Y1878 VanDerWaalsContact O-N 3.13Å; T1875-L1879 PolarHBondContact O-N 2.95Å; T1875-Y1942 WeakPolarHBondContact CB-OH 3.32Å; T1875-Y1942 HydrophobicContact CG2-CE1 4.02Å; T1875-Y1942 PolarHBondContact OG1-OH 2.98Å; T1875-Y1942 VanDerWaalsContact OG1-OH 3.08Å; T1875-L1946 HydrophobicContact CG2-CD1 3.8Å; T1875-L1946 HydrophobicContact CG2-CD2 3.99Å |
| 1876 | R | 82.8 | Confident | 80.3 | Confident | 163 Ų | 163 | 65.8 Ų | 65.8 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56 | -39.4 | 178.6 | -164 | 173.5 | -107.4 | 154.4 | -0.3 | 115.3 | C1872 Y1878 L1879 S1880 | C1872-R1876 VanDerWaalsContact O-CB 3.27Å; C1872-R1876 WeakPolarHBondContact O-CB 3.32Å; C1872-R1876 PolarHBondContact O-N 3.42Å; C1872-R1876 VanDerWaalsContact O-N 3.13Å; R1876-Y1878 VanDerWaalsContact C-N 3.3Å; R1876-Y1878 PolarHBondContact O-N 3.2Å; R1876-L1879 WeakPolarHBondContact O-CB 3.35Å; R1876-L1879 PolarHBondContact O-N 2.9Å; R1876-S1880 PolarHBondContact O-N 3.12Å |
| 1877 | P | 79.2 | Confident | 79.3 | Confident | 71.4 Ų | 71.4 | 64 Ų | 64 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -36.7 | 174.8 | -6.8 | 9.3 | 0 | 0 | 0 | 112.9 | Q1873 T1874 T1875 L1879 S1880 E1881 | Q1873-P1877 VanDerWaalsContact O-CD 3.27Å; Q1873-P1877 WeakPolarHBondContact O-CD 3.25Å; T1874-P1877 WeakPolarHBondContact O-CD 3.41Å; T1874-P1877 WeakPolarHBondContact O-CG 3.27Å; T1875-P1877 VanDerWaalsContact C-CD 3.45Å; P1877-L1879 VanDerWaalsContact C-N 3.33Å; P1877-L1879 PolarHBondContact O-N 3.28Å; P1877-S1880 WeakPolarHBondContact O-CA 3.5Å; P1877-S1880 VanDerWaalsContact O-CB 3.3Å; P1877-S1880 WeakPolarHBondContact O-CB 3.37Å; P1877-S1880 PolarHBondContact O-N 3.2Å; P1877-S1880 VanDerWaalsContact O-N 3.13Å; P1877-S1880 PolarHBondContact O-OG 3.35Å; P1877-E1881 PolarHBondContact O-N 2.95Å |
| 1878 | Y | 73.1 | Confident | 78.9 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 179.1 | -56.7 | -70.9 | 0 | 0 | 0 | 112.5 | F1817 Q1822 I1826 T1874 T1875 R1876 S1880 E1881 I1882 | F1817-Y1878 HydrophobicContact CD1-CD1 4.43Å; F1817-Y1878 AromaticContact CD1-CE1 3.78Å; F1817-Y1878 HydrophobicContact CD1-CE1 3.78Å; F1817-Y1878 HydrophobicContact CD1-CE2 4.31Å; F1817-Y1878 AromaticContact CD1-CZ 3.73Å; F1817-Y1878 HydrophobicContact CE1-CD1 4.4Å; F1817-Y1878 HydrophobicContact CE1-CD2 4.33Å; F1817-Y1878 AromaticContact CE1-CE1 3.96Å; F1817-Y1878 HydrophobicContact CE1-CE1 4.19Å; F1817-Y1878 AromaticContact CE1-CE2 3.96Å; F1817-Y1878 HydrophobicContact CE1-CE2 4.08Å; F1817-Y1878 AromaticContact CE1-CZ 3.92Å; F1817-Y1878 HydrophobicContact CG-CE1 4.49Å; Q1822-Y1878 VanDerWaalsContact CB-OH 3.31Å; Q1822-Y1878 WeakPolarHBondContact CB-OH 3.34Å; Q1822-Y1878 VanDerWaalsContact CG-OH 3.24Å; Q1822-Y1878 WeakPolarHBondContact CG-OH 3.41Å; Q1822-Y1878 PolarHBondContact NE2-OH 2.93Å; Q1822-Y1878 PolarHBondContact OE1-OH 3.16Å; I1826-Y1878 HydrophobicContact CD1-CE2 4.13Å; T1874-Y1878 WeakPolarHBondContact O-CD2 3.4Å; T1874-Y1878 VanDerWaalsContact O-CE2 3.32Å; T1874-Y1878 WeakPolarHBondContact O-CE2 3.38Å; T1875-Y1878 HydrophobicContact CG2-CD2 4.45Å; T1875-Y1878 WeakPolarHBondContact O-CB 3.39Å; T1875-Y1878 WeakPolarHBondContact O-CD2 3.34Å; T1875-Y1878 PolarHBondContact O-N 3.31Å; T1875-Y1878 VanDerWaalsContact O-N 3.13Å; R1876-Y1878 VanDerWaalsContact C-N 3.3Å; R1876-Y1878 PolarHBondContact O-N 3.2Å; Y1878-S1880 PolarHBondContact O-N 3.14Å; Y1878-S1880 VanDerWaalsContact O-N 3.14Å; Y1878-E1881 PolarHBondContact O-N 3.21Å; Y1878-I1882 WeakPolarHBondContact O-CG1 3.43Å; Y1878-I1882 PolarHBondContact O-N 3.19Å |
| 1879 | L | 75 | Confident | 78.5 | Confident | 16.6 Ų | 16.6 | 71.7 Ų | 71.7 | 9% | 0.087 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.3 | -29.5 | 173.2 | -81 | 169.5 | 0 | 0 | 0 | 112.4 | T1875 R1876 P1877 I1882 K1888 L1891 A1892 L1895 | T1875-L1879 PolarHBondContact O-N 2.95Å; R1876-L1879 WeakPolarHBondContact O-CB 3.35Å; R1876-L1879 PolarHBondContact O-N 2.9Å; P1877-L1879 VanDerWaalsContact C-N 3.33Å; P1877-L1879 PolarHBondContact O-N 3.28Å; L1879-I1882 HydrophobicContact CD2-CD1 4.33Å; L1879-K1888 WeakPolarHBondContact CD2-O 3.27Å; L1879-K1888 VanDerWaalsContact O-CD 3.28Å; L1879-K1888 WeakPolarHBondContact O-CD 3.37Å; L1879-K1888 WeakPolarHBondContact O-CE 3.31Å; L1879-K1888 PolarHBondContact O-NZ 3.16Å; L1879-L1891 HydrophobicContact CD2-CB 3.67Å; L1879-L1891 HydrophobicContact CD2-CD2 3.63Å; L1879-L1891 HydrophobicContact CD2-CG 3.79Å; L1879-L1891 HydrophobicContact CG-CD2 4.24Å; L1879-L1891 HydrophobicContact CG-CG 4.43Å; L1879-A1892 HydrophobicContact CD1-CB 4.42Å; L1879-A1892 HydrophobicContact CD2-CB 4.31Å; L1879-L1895 HydrophobicContact CD1-CB 4.34Å; L1879-L1895 HydrophobicContact CD1-CD2 3.37Å; L1879-L1895 VanDerWaalsContact CD1-CD2 3.46Å; L1879-L1895 HydrophobicContact CD1-CG 4.32Å |
| 1880 | S | 74.4 | Confident | 78 | Confident | 81.4 Ų | 81.4 | 75.6 Ų | 75.6 | 57% | 0.569 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.7 | -32.7 | 177.3 | 79.8 | 0 | 0 | 0 | 0 | 112.7 | R1876 P1877 Y1878 K1888 | R1876-S1880 PolarHBondContact O-N 3.12Å; P1877-S1880 WeakPolarHBondContact O-CA 3.5Å; P1877-S1880 VanDerWaalsContact O-CB 3.3Å; P1877-S1880 WeakPolarHBondContact O-CB 3.37Å; P1877-S1880 PolarHBondContact O-N 3.2Å; P1877-S1880 VanDerWaalsContact O-N 3.13Å; P1877-S1880 PolarHBondContact O-OG 3.35Å; Y1878-S1880 PolarHBondContact O-N 3.14Å; Y1878-S1880 VanDerWaalsContact O-N 3.14Å; S1880-K1888 PolarHBondContact O-NZ 3.24Å |
| 1881 | E | 70.7 | Confident | 77.7 | Confident | 83.6 Ų | 83.6 | 72.5 Ų | 72.5 | 39% | 0.391 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -81.6 | -17.1 | -177.1 | -64.4 | -175.3 | 157 | 0 | 0 | 114 | R1818 P1877 Y1878 K1883 | R1818-E1881 IonicContact CZ-OE1 3.02Å; R1818-E1881 IonicContact NE-OE1 3.57Å; R1818-E1881 IonicContact NH2-OE1 3.57Å; R1818-E1881 PolarHBondContact NH2-OE1 3.23Å; P1877-E1881 PolarHBondContact O-N 2.95Å; Y1878-E1881 PolarHBondContact O-N 3.21Å; E1881-K1883 PolarHBondContact O-N 3.1Å; E1881-K1883 VanDerWaalsContact O-N 3.15Å |
| 1882 | I | 69.7 | Low | 77.6 | Confident | 11.4 Ų | 11.4 | 74.4 Ų | 74.4 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | trans | -65.9 | 116 | 178.1 | -53.5 | -175.5 | 0 | 0 | 0 | 110.3 | Y1878 L1879 N1884 E1887 K1888 L1891 D1949 | Y1878-I1882 WeakPolarHBondContact O-CG1 3.43Å; Y1878-I1882 PolarHBondContact O-N 3.19Å; L1879-I1882 HydrophobicContact CD2-CD1 4.33Å; I1882-N1884 HydrophobicContact CG2-CB 4.42Å; I1882-N1884 WeakPolarHBondContact CG2-O 3.32Å; I1882-E1887 HydrophobicContact CG2-CB 4.12Å; I1882-K1888 HydrophobicContact CB-CB 4.11Å; I1882-K1888 HydrophobicContact CB-CD 4.5Å; I1882-K1888 HydrophobicContact CB-CG 4.47Å; I1882-K1888 HydrophobicContact CG2-CB 3.99Å; I1882-L1891 HydrophobicContact CD1-CD1 4.31Å; I1882-L1891 HydrophobicContact CD1-CD2 3.6Å; I1882-D1949 WeakPolarHBondContact CD1-OD2 3.25Å | ||
| 1883 | K | 66.1 | Low | 77.5 | Confident | 198.8 Ų | 198.8 | 77.6 Ų | 77.6 | 86% | 0.864 | 38% | 0.379 | S | S | * | . | trans | -73.6 | -36.6 | 177.1 | -66.2 | -177 | -179 | 177.2 | 0 | 112.8 | E1881 L1885 | E1881-K1883 PolarHBondContact O-N 3.1Å; E1881-K1883 VanDerWaalsContact O-N 3.15Å; K1883-L1885 PolarHBondContact O-N 3.1Å; K1883-L1885 VanDerWaalsContact O-N 3.15Å | ||
| 1884 | N | 68 | Low | 77.5 | Confident | 63.8 Ų | 63.8 | 72.1 Ų | 72.1 | 34% | 0.341 | 36% | 0.355 | S | S | . | . | trans | -73.7 | 110.6 | -179.7 | -139.2 | -12.4 | 0 | 0 | 0 | 110.7 | I1882 S1886 E1887 K1888 | I1882-N1884 HydrophobicContact CG2-CB 4.42Å; I1882-N1884 WeakPolarHBondContact CG2-O 3.32Å; N1884-S1886 VanDerWaalsContact C-N 3.28Å; N1884-S1886 VanDerWaalsContact CG-OG 3.31Å; N1884-S1886 PolarHBondContact ND2-OG 3.11Å; N1884-S1886 PolarHBondContact O-N 3.1Å; N1884-S1886 PolarHBondContact OD1-N 3.26Å; N1884-S1886 VanDerWaalsContact OD1-N 3.1Å; N1884-S1886 PolarHBondContact OD1-OG 3.06Å; N1884-E1887 HydrophobicContact CB-CB 4.14Å; N1884-E1887 HydrophobicContact CB-CG 4.23Å; N1884-E1887 WeakPolarHBondContact CB-OE1 3.47Å; N1884-E1887 VanDerWaalsContact CB-OE2 3.26Å; N1884-E1887 WeakPolarHBondContact CB-OE2 3.33Å; N1884-E1887 VanDerWaalsContact ND2-CD 3.33Å; N1884-E1887 PolarHBondContact ND2-OE1 3.16Å; N1884-E1887 PolarHBondContact ND2-OE2 3.25Å; N1884-E1887 PolarHBondContact O-N 3Å; N1884-K1888 VanDerWaalsContact O-CB 3.29Å; N1884-K1888 WeakPolarHBondContact O-CB 3.42Å; N1884-K1888 PolarHBondContact O-N 3.13Å | ||
| 1885 | L | 70.7 | Confident | 77.7 | Confident | 126 Ų | 126 | 70.5 Ų | 70.5 | 66% | 0.66 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.6 | -31.5 | -176.6 | -159 | 75.3 | 0 | 0 | 0 | 112.9 | K1883 R1889 | K1883-L1885 PolarHBondContact O-N 3.1Å; K1883-L1885 VanDerWaalsContact O-N 3.15Å; L1885-R1889 VanDerWaalsContact O-CB 3.3Å; L1885-R1889 WeakPolarHBondContact O-CB 3.43Å; L1885-R1889 WeakPolarHBondContact O-CG 3.41Å; L1885-R1889 PolarHBondContact O-N 3.19Å |
| 1886 | S | 71.6 | Confident | 78 | Confident | 68.4 Ų | 68.4 | 75 Ų | 75 | 48% | 0.478 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.8 | -45.2 | -179.7 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | N1884 R1889 R1890 | N1884-S1886 VanDerWaalsContact C-N 3.28Å; N1884-S1886 VanDerWaalsContact CG-OG 3.31Å; N1884-S1886 PolarHBondContact ND2-OG 3.11Å; N1884-S1886 PolarHBondContact O-N 3.1Å; N1884-S1886 PolarHBondContact OD1-N 3.26Å; N1884-S1886 VanDerWaalsContact OD1-N 3.1Å; N1884-S1886 PolarHBondContact OD1-OG 3.06Å; S1886-R1889 PolarHBondContact O-N 3.16Å; S1886-R1890 WeakPolarHBondContact O-CG 3.38Å; S1886-R1890 PolarHBondContact O-N 3.16Å; S1886-R1890 VanDerWaalsContact O-N 3.12Å |
| 1887 | E | 71.6 | Confident | 78.4 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 173 | -71.9 | 166.2 | -163.5 | 0 | 0 | 110.8 | R1816 I1882 N1884 R1889 R1890 L1891 | R1816-E1887 IonicContact CZ-OE2 3.45Å; R1816-E1887 IonicContact NH1-OE2 3.11Å; R1816-E1887 PolarHBondContact NH1-OE2 3.11Å; R1816-E1887 IonicContact NH2-OE2 3Å; R1816-E1887 PolarHBondContact NH2-OE2 3.14Å; I1882-E1887 HydrophobicContact CG2-CB 4.12Å; N1884-E1887 HydrophobicContact CB-CB 4.14Å; N1884-E1887 HydrophobicContact CB-CG 4.23Å; N1884-E1887 WeakPolarHBondContact CB-OE1 3.47Å; N1884-E1887 VanDerWaalsContact CB-OE2 3.26Å; N1884-E1887 WeakPolarHBondContact CB-OE2 3.33Å; N1884-E1887 VanDerWaalsContact ND2-CD 3.33Å; N1884-E1887 PolarHBondContact ND2-OE1 3.16Å; N1884-E1887 PolarHBondContact ND2-OE2 3.25Å; N1884-E1887 PolarHBondContact O-N 3Å; E1887-R1889 VanDerWaalsContact C-N 3.27Å; E1887-R1889 PolarHBondContact O-N 2.97Å; E1887-R1890 PolarHBondContact O-N 3Å; E1887-R1890 VanDerWaalsContact O-N 3.16Å; E1887-L1891 WeakPolarHBondContact O-CB 3.36Å; E1887-L1891 PolarHBondContact O-N 3.1Å |
| 1888 | K | 79.4 | Confident | 78.9 | Confident | 69.2 Ų | 69.2 | 68.1 Ų | 68.1 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.4 | -40.9 | 176.1 | -177 | 170.1 | -179.7 | 155 | 0 | 112.2 | L1879 S1880 I1882 N1884 A1892 | L1879-K1888 WeakPolarHBondContact CD2-O 3.27Å; L1879-K1888 VanDerWaalsContact O-CD 3.28Å; L1879-K1888 WeakPolarHBondContact O-CD 3.37Å; L1879-K1888 WeakPolarHBondContact O-CE 3.31Å; L1879-K1888 PolarHBondContact O-NZ 3.16Å; S1880-K1888 PolarHBondContact O-NZ 3.24Å; I1882-K1888 HydrophobicContact CB-CB 4.11Å; I1882-K1888 HydrophobicContact CB-CD 4.5Å; I1882-K1888 HydrophobicContact CB-CG 4.47Å; I1882-K1888 HydrophobicContact CG2-CB 3.99Å; N1884-K1888 VanDerWaalsContact O-CB 3.29Å; N1884-K1888 WeakPolarHBondContact O-CB 3.42Å; N1884-K1888 PolarHBondContact O-N 3.13Å; K1888-A1892 WeakPolarHBondContact O-CB 3.41Å; K1888-A1892 PolarHBondContact O-N 3.25Å |
| 1889 | R | 82 | Confident | 79.8 | Confident | 171.4 Ų | 171.4 | 69 Ų | 69 | 65% | 0.647 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66 | -51.1 | 175.6 | -139.7 | 177.1 | -173.2 | 153.1 | 1.7 | 111.5 | L1885 S1886 E1887 L1891 A1892 D1893 | L1885-R1889 VanDerWaalsContact O-CB 3.3Å; L1885-R1889 WeakPolarHBondContact O-CB 3.43Å; L1885-R1889 WeakPolarHBondContact O-CG 3.41Å; L1885-R1889 PolarHBondContact O-N 3.19Å; S1886-R1889 PolarHBondContact O-N 3.16Å; E1887-R1889 VanDerWaalsContact C-N 3.27Å; E1887-R1889 PolarHBondContact O-N 2.97Å; R1889-L1891 VanDerWaalsContact C-N 3.32Å; R1889-L1891 PolarHBondContact O-N 3.39Å; R1889-A1892 CarbonylContact O-C 3.56Å; R1889-A1892 PolarHBondContact O-N 3.04Å; R1889-A1892 VanDerWaalsContact O-N 3.1Å; R1889-D1893 WeakPolarHBondContact O-CB 3.39Å; R1889-D1893 PolarHBondContact O-N 3.1Å |
| 1890 | R | 81.2 | Confident | 80.5 | Confident | 134.6 Ų | 134.6 | 73.6 Ų | 73.6 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.1 | -43.1 | 178.7 | -88.3 | -173.4 | -84.2 | -163.7 | 0.2 | 112.6 | S1886 E1887 D1893 S1894 L1945 D1949 | S1886-R1890 WeakPolarHBondContact O-CG 3.38Å; S1886-R1890 PolarHBondContact O-N 3.16Å; S1886-R1890 VanDerWaalsContact O-N 3.12Å; E1887-R1890 PolarHBondContact O-N 3Å; E1887-R1890 VanDerWaalsContact O-N 3.16Å; R1890-D1893 PolarHBondContact O-N 3.16Å; R1890-S1894 WeakPolarHBondContact O-CB 3.36Å; R1890-S1894 PolarHBondContact O-N 3.11Å; R1890-S1894 VanDerWaalsContact O-N 3.08Å; R1890-S1894 PolarHBondContact O-OG 3.25Å; R1890-L1945 HydrophobicContact CG-CD1 4.48Å; R1890-D1949 IonicContact NH2-OD2 3.82Å |
| 1891 | L | 83.7 | Confident | 81.2 | Confident | 5.6 Ų | 5.6 | 70.5 Ų | 70.5 | 3% | 0.029 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -73 | -32.7 | 179.5 | -162.3 | 81.4 | 0 | 0 | 0 | 111.8 | L1879 I1882 E1887 R1889 S1894 L1895 Y1942 L1945 L1946 D1949 | L1879-L1891 HydrophobicContact CD2-CB 3.67Å; L1879-L1891 HydrophobicContact CD2-CD2 3.63Å; L1879-L1891 HydrophobicContact CD2-CG 3.79Å; L1879-L1891 HydrophobicContact CG-CD2 4.24Å; L1879-L1891 HydrophobicContact CG-CG 4.43Å; I1882-L1891 HydrophobicContact CD1-CD1 4.31Å; I1882-L1891 HydrophobicContact CD1-CD2 3.6Å; E1887-L1891 WeakPolarHBondContact O-CB 3.36Å; E1887-L1891 PolarHBondContact O-N 3.1Å; R1889-L1891 VanDerWaalsContact C-N 3.32Å; R1889-L1891 PolarHBondContact O-N 3.39Å; L1891-S1894 WeakPolarHBondContact CA-OG 3.32Å; L1891-S1894 PolarHBondContact O-OG 3.32Å; L1891-S1894 VanDerWaalsContact O-OG 3.07Å; L1891-L1895 VanDerWaalsContact O-CB 3.31Å; L1891-L1895 WeakPolarHBondContact O-CB 3.32Å; L1891-L1895 PolarHBondContact O-N 3.12Å; L1891-Y1942 HydrophobicContact CD1-CD2 3.89Å; L1891-Y1942 HydrophobicContact CD1-CE2 3.48Å; L1891-Y1942 VanDerWaalsContact CD1-CE2 3.42Å; L1891-Y1942 HydrophobicContact CD2-CE2 3.62Å; L1891-Y1942 HydrophobicContact CG-CD2 4.49Å; L1891-Y1942 HydrophobicContact CG-CE2 3.89Å; L1891-Y1942 WeakPolarHBondContact O-CE2 3.25Å; L1891-L1945 HydrophobicContact CD1-CB 3.88Å; L1891-L1946 HydrophobicContact CD1-CB 4.1Å; L1891-L1946 HydrophobicContact CD1-CD1 4.32Å; L1891-L1946 HydrophobicContact CD2-CD1 3.95Å; L1891-D1949 HydrophobicContact CD1-CB 4.04Å; L1891-D1949 WeakPolarHBondContact CD1-OD2 3.47Å |
| 1892 | A | 86 | Confident | 82.2 | Confident | 39.2 Ų | 39.2 | 66.6 Ų | 66.6 | 32% | 0.324 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1879 K1888 R1889 L1895 E1896 | L1879-A1892 HydrophobicContact CD1-CB 4.42Å; L1879-A1892 HydrophobicContact CD2-CB 4.31Å; K1888-A1892 WeakPolarHBondContact O-CB 3.41Å; K1888-A1892 PolarHBondContact O-N 3.25Å; R1889-A1892 CarbonylContact O-C 3.56Å; R1889-A1892 PolarHBondContact O-N 3.04Å; R1889-A1892 VanDerWaalsContact O-N 3.1Å; A1892-L1895 WeakPolarHBondContact O-CB 3.45Å; A1892-L1895 PolarHBondContact O-N 3.17Å; A1892-E1896 WeakPolarHBondContact O-CB 3.38Å; A1892-E1896 PolarHBondContact O-N 3.21Å |
| 1893 | D | 87.4 | Confident | 83.1 | Confident | 76.6 Ų | 76.6 | 68.2 Ų | 68.2 | 41% | 0.41 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 177 | -65.1 | -22.5 | 0 | 0 | 0 | 109.9 | R1889 R1890 L1895 E1896 H1897 | R1889-D1893 WeakPolarHBondContact O-CB 3.39Å; R1889-D1893 PolarHBondContact O-N 3.1Å; R1890-D1893 PolarHBondContact O-N 3.16Å; D1893-L1895 VanDerWaalsContact C-N 3.33Å; D1893-L1895 PolarHBondContact O-N 3.27Å; D1893-E1896 WeakPolarHBondContact O-CA 3.36Å; D1893-E1896 VanDerWaalsContact O-CB 3.32Å; D1893-E1896 WeakPolarHBondContact O-CB 3.36Å; D1893-E1896 PolarHBondContact O-N 3.2Å; D1893-E1896 VanDerWaalsContact O-N 3.14Å; D1893-H1897 PolarHBondContact O-CD2 3.17Å; D1893-H1897 PolarHBondContact O-N 3.3Å |
| 1894 | S | 87.9 | Confident | 84.2 | Confident | 9.2 Ų | 9.2 | 61.1 Ų | 61.1 | 6% | 0.064 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175 | 163.5 | 0 | 0 | 0 | 0 | 112.6 | R1890 L1891 E1896 H1897 V1898 Y1942 | R1890-S1894 WeakPolarHBondContact O-CB 3.36Å; R1890-S1894 PolarHBondContact O-N 3.11Å; R1890-S1894 VanDerWaalsContact O-N 3.08Å; R1890-S1894 PolarHBondContact O-OG 3.25Å; L1891-S1894 WeakPolarHBondContact CA-OG 3.32Å; L1891-S1894 PolarHBondContact O-OG 3.32Å; L1891-S1894 VanDerWaalsContact O-OG 3.07Å; S1894-E1896 VanDerWaalsContact C-N 3.27Å; S1894-E1896 PolarHBondContact O-N 3.08Å; S1894-H1897 WeakPolarHBondContact O-CB 3.39Å; S1894-H1897 PolarHBondContact O-N 3.11Å; S1894-H1897 VanDerWaalsContact O-N 3.15Å; S1894-V1898 PolarHBondContact O-N 3.16Å; S1894-V1898 VanDerWaalsContact O-N 3.13Å; S1894-Y1942 VanDerWaalsContact OG-CA 3.27Å; S1894-Y1942 WeakPolarHBondContact OG-CA 3.42Å; S1894-Y1942 WeakPolarHBondContact OG-CB 3.35Å; S1894-Y1942 WeakPolarHBondContact OG-CD2 3.42Å |
| 1895 | L | 88.3 | Confident | 85.1 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 173.5 | -170.9 | 63.7 | 0 | 0 | 0 | 112.3 | C1872 L1879 L1891 A1892 D1893 H1897 V1898 A1899 Y1942 | C1872-L1895 HydrophobicContact CB-CD1 3.92Å; C1872-L1895 HydrophobicContact CB-CD2 4.43Å; C1872-L1895 HydrophobicContact CB-CG 4.41Å; C1872-L1895 VanDerWaalsContact SG-CD1 3.56Å; L1879-L1895 HydrophobicContact CD1-CB 4.34Å; L1879-L1895 HydrophobicContact CD1-CD2 3.37Å; L1879-L1895 VanDerWaalsContact CD1-CD2 3.46Å; L1879-L1895 HydrophobicContact CD1-CG 4.32Å; L1891-L1895 VanDerWaalsContact O-CB 3.31Å; L1891-L1895 WeakPolarHBondContact O-CB 3.32Å; L1891-L1895 PolarHBondContact O-N 3.12Å; A1892-L1895 WeakPolarHBondContact O-CB 3.45Å; A1892-L1895 PolarHBondContact O-N 3.17Å; D1893-L1895 VanDerWaalsContact C-N 3.33Å; D1893-L1895 PolarHBondContact O-N 3.27Å; L1895-H1897 VanDerWaalsContact C-N 3.34Å; L1895-V1898 PolarHBondContact O-N 3.04Å; L1895-A1899 WeakPolarHBondContact O-CB 2.98Å; L1895-A1899 PolarHBondContact O-N 3.21Å; L1895-A1899 VanDerWaalsContact O-N 3.08Å; L1895-Y1942 HydrophobicContact CB-CD2 4.17Å; L1895-Y1942 HydrophobicContact CB-CE2 3.73Å; L1895-Y1942 HydrophobicContact CD1-CD1 4.31Å; L1895-Y1942 HydrophobicContact CD1-CD2 4.25Å; L1895-Y1942 HydrophobicContact CD1-CE1 3.96Å; L1895-Y1942 HydrophobicContact CD1-CE2 3.81Å; L1895-Y1942 HydrophobicContact CD1-CG 4.47Å; L1895-Y1942 VanDerWaalsContact CD1-CZ 3.45Å; L1895-Y1942 HydrophobicContact CG-CE2 4.31Å |
| 1896 | E | 90 | Very high | 85.9 | Confident | 94.2 Ų | 94.2 | 55.4 Ų | 55.4 | 44% | 0.44 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 175.2 | -155.2 | -167.9 | 155 | 0 | 0 | 111.7 | A1892 D1893 S1894 A1899 R1900 | A1892-E1896 WeakPolarHBondContact O-CB 3.38Å; A1892-E1896 PolarHBondContact O-N 3.21Å; D1893-E1896 WeakPolarHBondContact O-CA 3.36Å; D1893-E1896 VanDerWaalsContact O-CB 3.32Å; D1893-E1896 WeakPolarHBondContact O-CB 3.36Å; D1893-E1896 PolarHBondContact O-N 3.2Å; D1893-E1896 VanDerWaalsContact O-N 3.14Å; S1894-E1896 VanDerWaalsContact C-N 3.27Å; S1894-E1896 PolarHBondContact O-N 3.08Å; E1896-A1899 PolarHBondContact O-N 3.13Å; E1896-R1900 VanDerWaalsContact CD-CZ 3.48Å; E1896-R1900 VanDerWaalsContact CD-NH1 3.3Å; E1896-R1900 WeakPolarHBondContact O-CB 3.37Å; E1896-R1900 VanDerWaalsContact O-CG 3.29Å; E1896-R1900 WeakPolarHBondContact O-CG 3.34Å; E1896-R1900 PolarHBondContact O-N 3.1Å; E1896-R1900 IonicContact OE1-CZ 3.2Å; E1896-R1900 VanDerWaalsContact OE1-CZ 3.3Å; E1896-R1900 IonicContact OE1-NE 3.07Å; E1896-R1900 PolarHBondContact OE1-NE 3.11Å; E1896-R1900 VanDerWaalsContact OE1-NE 3.09Å; E1896-R1900 IonicContact OE1-NH1 2.94Å; E1896-R1900 IonicContact OE1-NH2 2.85Å; E1896-R1900 PolarHBondContact OE1-NH2 3.25Å; E1896-R1900 IonicContact OE2-CZ 3.32Å; E1896-R1900 VanDerWaalsContact OE2-CZ 3.25Å; E1896-R1900 IonicContact OE2-NH1 3.26Å; E1896-R1900 PolarHBondContact OE2-NH1 3.3Å; E1896-R1900 VanDerWaalsContact OE2-NH1 3.07Å; E1896-R1900 IonicContact OE2-NH2 2.86Å; E1896-R1900 PolarHBondContact OE2-NH2 3.01Å; E1896-R1900 VanDerWaalsContact OE2-NH2 3.12Å |
| 1897 | H | 90 | Very high | 86.6 | Confident | 88.4 Ų | 88.4 | 56.9 Ų | 56.9 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 171 | -75.2 | -77.4 | 0 | 0 | 0 | 111.8 | D1893 S1894 L1895 A1899 R1900 S1901 | D1893-H1897 PolarHBondContact O-CD2 3.17Å; D1893-H1897 PolarHBondContact O-N 3.3Å; S1894-H1897 WeakPolarHBondContact O-CB 3.39Å; S1894-H1897 PolarHBondContact O-N 3.11Å; S1894-H1897 VanDerWaalsContact O-N 3.15Å; L1895-H1897 VanDerWaalsContact C-N 3.34Å; H1897-A1899 VanDerWaalsContact C-N 3.29Å; H1897-A1899 PolarHBondContact O-N 2.9Å; H1897-R1900 PolarHBondContact CE1-NH1 3.09Å; H1897-R1900 VanDerWaalsContact CE1-NH1 3.29Å; H1897-R1900 VanDerWaalsContact CG-NH1 3.27Å; H1897-R1900 PolarHBondContact ND1-NH1 2.99Å; H1897-R1900 VanDerWaalsContact ND1-NH1 3.18Å; H1897-R1900 PolarHBondContact NE2-NH1 3.42Å; H1897-R1900 PolarHBondContact O-N 2.9Å; H1897-R1900 VanDerWaalsContact O-N 3.14Å; H1897-S1901 WeakPolarHBondContact O-CB 3.43Å; H1897-S1901 PolarHBondContact O-N 3.18Å; H1897-S1901 PolarHBondContact O-OG 3.27Å |
| 1898 | V | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56 | -43.9 | 175 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | A1868 S1894 L1895 S1901 A1902 L1935 D1938 V1939 Y1942 | A1868-V1898 HydrophobicContact CB-CG1 4.35Å; S1894-V1898 PolarHBondContact O-N 3.16Å; S1894-V1898 VanDerWaalsContact O-N 3.13Å; L1895-V1898 PolarHBondContact O-N 3.04Å; V1898-S1901 PolarHBondContact O-N 3.08Å; V1898-A1902 WeakPolarHBondContact O-CB 3.33Å; V1898-A1902 PolarHBondContact O-N 3.23Å; V1898-L1935 HydrophobicContact CG1-CD1 4.07Å; V1898-L1935 WeakPolarHBondContact O-CD1 3.45Å; V1898-D1938 HydrophobicContact CG2-CB 4.06Å; V1898-D1938 WeakPolarHBondContact CG2-O 3.39Å; V1898-V1939 HydrophobicContact CG1-CG2 3.76Å; V1898-V1939 HydrophobicContact CG2-CG2 4.14Å; V1898-Y1942 HydrophobicContact CG2-CG 4.28Å |
| 1899 | A | 90.4 | Very high | 87.2 | Confident | 43.6 Ų | 43.6 | 52.7 Ų | 52.7 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1895 E1896 H1897 A1902 A1903 | L1895-A1899 WeakPolarHBondContact O-CB 2.98Å; L1895-A1899 PolarHBondContact O-N 3.21Å; L1895-A1899 VanDerWaalsContact O-N 3.08Å; E1896-A1899 PolarHBondContact O-N 3.13Å; H1897-A1899 VanDerWaalsContact C-N 3.29Å; H1897-A1899 PolarHBondContact O-N 2.9Å; A1899-A1902 PolarHBondContact O-N 3.34Å; A1899-A1903 WeakPolarHBondContact O-CB 3.3Å; A1899-A1903 PolarHBondContact O-N 3.24Å |
| 1900 | R | 91.3 | Very high | 87.1 | Confident | 113.8 Ų | 113.8 | 51.8 Ų | 51.8 | 43% | 0.429 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 175.9 | -74.1 | 179.3 | -151.4 | 118.3 | -9.6 | 111.6 | E1896 H1897 A1903 S1904 | E1896-R1900 VanDerWaalsContact CD-CZ 3.48Å; E1896-R1900 VanDerWaalsContact CD-NH1 3.3Å; E1896-R1900 WeakPolarHBondContact O-CB 3.37Å; E1896-R1900 VanDerWaalsContact O-CG 3.29Å; E1896-R1900 WeakPolarHBondContact O-CG 3.34Å; E1896-R1900 PolarHBondContact O-N 3.1Å; E1896-R1900 IonicContact OE1-CZ 3.2Å; E1896-R1900 VanDerWaalsContact OE1-CZ 3.3Å; E1896-R1900 IonicContact OE1-NE 3.07Å; E1896-R1900 PolarHBondContact OE1-NE 3.11Å; E1896-R1900 VanDerWaalsContact OE1-NE 3.09Å; E1896-R1900 IonicContact OE1-NH1 2.94Å; E1896-R1900 IonicContact OE1-NH2 2.85Å; E1896-R1900 PolarHBondContact OE1-NH2 3.25Å; E1896-R1900 IonicContact OE2-CZ 3.32Å; E1896-R1900 VanDerWaalsContact OE2-CZ 3.25Å; E1896-R1900 IonicContact OE2-NH1 3.26Å; E1896-R1900 PolarHBondContact OE2-NH1 3.3Å; E1896-R1900 VanDerWaalsContact OE2-NH1 3.07Å; E1896-R1900 IonicContact OE2-NH2 2.86Å; E1896-R1900 PolarHBondContact OE2-NH2 3.01Å; E1896-R1900 VanDerWaalsContact OE2-NH2 3.12Å; H1897-R1900 PolarHBondContact CE1-NH1 3.09Å; H1897-R1900 VanDerWaalsContact CE1-NH1 3.29Å; H1897-R1900 VanDerWaalsContact CG-NH1 3.27Å; H1897-R1900 PolarHBondContact ND1-NH1 2.99Å; H1897-R1900 VanDerWaalsContact ND1-NH1 3.18Å; H1897-R1900 PolarHBondContact NE2-NH1 3.42Å; H1897-R1900 PolarHBondContact O-N 2.9Å; H1897-R1900 VanDerWaalsContact O-N 3.14Å; R1900-A1903 CarbonylContact O-C 3.51Å; R1900-A1903 WeakPolarHBondContact O-CB 3.24Å; R1900-A1903 PolarHBondContact O-N 3.17Å; R1900-S1904 PolarHBondContact O-N 3.05Å |
| 1901 | S | 89.3 | Confident | 86.8 | Confident | 15.8 Ų | 15.8 | 49.4 Ų | 49.4 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.8 | -39.8 | 177.8 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | H1897 V1898 A1903 S1904 I1905 D1938 | H1897-S1901 WeakPolarHBondContact O-CB 3.43Å; H1897-S1901 PolarHBondContact O-N 3.18Å; H1897-S1901 PolarHBondContact O-OG 3.27Å; V1898-S1901 PolarHBondContact O-N 3.08Å; S1901-A1903 VanDerWaalsContact C-N 3.34Å; S1901-A1903 PolarHBondContact O-N 3.27Å; S1901-S1904 VanDerWaalsContact O-CB 3.32Å; S1901-S1904 WeakPolarHBondContact O-CB 3.32Å; S1901-S1904 PolarHBondContact O-N 3.28Å; S1901-S1904 PolarHBondContact O-OG 3.05Å; S1901-I1905 WeakPolarHBondContact O-CG1 3.34Å; S1901-I1905 PolarHBondContact O-N 3.26Å; S1901-I1905 VanDerWaalsContact O-N 3.17Å; S1901-D1938 VanDerWaalsContact CB-OD2 3.3Å; S1901-D1938 WeakPolarHBondContact CB-OD2 3.3Å; S1901-D1938 PolarHBondContact OG-OD2 3.05Å |
| 1902 | A | 90.3 | Very high | 86 | Confident | 1.8 Ų | 1.8 | 50.1 Ų | 50.1 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1868 T1869 V1898 A1899 S1904 I1905 F1906 L1935 | A1868-A1902 HydrophobicContact CB-CB 3.97Å; T1869-A1902 HydrophobicContact CG2-CB 4.33Å; V1898-A1902 WeakPolarHBondContact O-CB 3.33Å; V1898-A1902 PolarHBondContact O-N 3.23Å; A1899-A1902 PolarHBondContact O-N 3.34Å; A1902-S1904 VanDerWaalsContact C-N 3.32Å; A1902-S1904 PolarHBondContact O-N 3.04Å; A1902-I1905 PolarHBondContact O-N 2.95Å; A1902-F1906 VanDerWaalsContact O-CD2 3.27Å; A1902-F1906 WeakPolarHBondContact O-CD2 3.36Å; A1902-F1906 PolarHBondContact O-N 3.07Å; A1902-F1906 VanDerWaalsContact O-N 3.13Å; A1902-L1935 HydrophobicContact CB-CD1 4.45Å; A1902-L1935 HydrophobicContact CB-CD2 4.48Å |
| 1903 | A | 89.7 | Confident | 85.1 | Confident | 44.6 Ų | 44.6 | 57.2 Ų | 57.2 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | A1899 R1900 S1901 I1905 F1906 N1907 | A1899-A1903 WeakPolarHBondContact O-CB 3.3Å; A1899-A1903 PolarHBondContact O-N 3.24Å; R1900-A1903 CarbonylContact O-C 3.51Å; R1900-A1903 WeakPolarHBondContact O-CB 3.24Å; R1900-A1903 PolarHBondContact O-N 3.17Å; S1901-A1903 VanDerWaalsContact C-N 3.34Å; S1901-A1903 PolarHBondContact O-N 3.27Å; A1903-I1905 VanDerWaalsContact C-N 3.34Å; A1903-F1906 WeakPolarHBondContact O-CB 3.24Å; A1903-F1906 PolarHBondContact O-N 3.04Å; A1903-N1907 PolarHBondContact O-N 2.98Å; A1903-N1907 PolarHBondContact O-ND2 3.15Å; A1903-N1907 VanDerWaalsContact O-ND2 3.15Å |
| 1904 | S | 88.4 | Confident | 83.8 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 174.5 | 148.6 | 0 | 0 | 0 | 0 | 111.3 | R1900 S1901 A1902 F1906 N1907 I1908 | R1900-S1904 PolarHBondContact O-N 3.05Å; S1901-S1904 VanDerWaalsContact O-CB 3.32Å; S1901-S1904 WeakPolarHBondContact O-CB 3.32Å; S1901-S1904 PolarHBondContact O-N 3.28Å; S1901-S1904 PolarHBondContact O-OG 3.05Å; A1902-S1904 VanDerWaalsContact C-N 3.32Å; A1902-S1904 PolarHBondContact O-N 3.04Å; S1904-F1906 VanDerWaalsContact C-N 3.35Å; S1904-F1906 PolarHBondContact O-N 3.17Å; S1904-N1907 PolarHBondContact O-N 3.33Å; S1904-N1907 VanDerWaalsContact O-N 3.14Å; S1904-I1908 WeakPolarHBondContact O-CG1 3.45Å; S1904-I1908 PolarHBondContact O-N 3.12Å |
| 1905 | I | 87.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.2 | -63.7 | 174 | 0 | 0 | 0 | 110.7 | A1861 L1864 A1865 S1901 A1902 A1903 N1907 I1908 I1909 L1928 A1931 L1935 | A1861-I1905 HydrophobicContact CB-CG2 4.24Å; L1864-I1905 HydrophobicContact CD2-CD1 3.8Å; L1864-I1905 HydrophobicContact CG-CD1 4.19Å; A1865-I1905 HydrophobicContact CB-CB 4.4Å; A1865-I1905 HydrophobicContact CB-CG2 4.13Å; S1901-I1905 WeakPolarHBondContact O-CG1 3.34Å; S1901-I1905 PolarHBondContact O-N 3.26Å; S1901-I1905 VanDerWaalsContact O-N 3.17Å; A1902-I1905 PolarHBondContact O-N 2.95Å; A1903-I1905 VanDerWaalsContact C-N 3.34Å; I1905-N1907 VanDerWaalsContact C-N 3.29Å; I1905-N1907 PolarHBondContact O-N 3.05Å; I1905-I1908 PolarHBondContact O-N 3.26Å; I1905-I1909 HydrophobicContact CG2-CD1 3.89Å; I1905-I1909 HydrophobicContact CG2-CG1 4.46Å; I1905-I1909 VanDerWaalsContact O-CG1 3.3Å; I1905-I1909 WeakPolarHBondContact O-CG1 3.4Å; I1905-I1909 PolarHBondContact O-N 3.17Å; I1905-L1928 HydrophobicContact CG2-CD1 4.08Å; I1905-L1928 HydrophobicContact CG2-CD2 4.29Å; I1905-A1931 HydrophobicContact CG1-CB 3.91Å; I1905-L1935 HydrophobicContact CD1-CB 4.08Å; I1905-L1935 HydrophobicContact CD1-CD2 3.48Å; I1905-L1935 VanDerWaalsContact CD1-CD2 3.45Å; I1905-L1935 HydrophobicContact CD1-CG 4.39Å |
| 1906 | F | 87.5 | Confident | 80.2 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 31% | 0.311 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.1 | -39.3 | 174.7 | -86.6 | -63.9 | 0 | 0 | 0 | 113 | N1862 A1865 Q1866 T1869 A1902 A1903 S1904 I1909 K1910 | N1862-F1906 VanDerWaalsContact OD1-CE1 3.31Å; N1862-F1906 WeakPolarHBondContact OD1-CE1 3.43Å; N1862-F1906 WeakPolarHBondContact OD1-CZ 3.25Å; A1865-F1906 HydrophobicContact CB-CD1 4.32Å; A1865-F1906 HydrophobicContact CB-CD2 3.71Å; A1865-F1906 HydrophobicContact CB-CE1 4.03Å; A1865-F1906 HydrophobicContact CB-CE2 3.43Å; A1865-F1906 VanDerWaalsContact CB-CE2 3.45Å; A1865-F1906 HydrophobicContact CB-CG 4.23Å; A1865-F1906 HydrophobicContact CB-CZ 3.72Å; A1865-F1906 VanDerWaalsContact CB-CZ 3.5Å; Q1866-F1906 HydrophobicContact CG-CZ 4.34Å; T1869-F1906 HydrophobicContact CG2-CE2 4.03Å; A1902-F1906 VanDerWaalsContact O-CD2 3.27Å; A1902-F1906 WeakPolarHBondContact O-CD2 3.36Å; A1902-F1906 PolarHBondContact O-N 3.07Å; A1902-F1906 VanDerWaalsContact O-N 3.13Å; A1903-F1906 WeakPolarHBondContact O-CB 3.24Å; A1903-F1906 PolarHBondContact O-N 3.04Å; S1904-F1906 VanDerWaalsContact C-N 3.35Å; S1904-F1906 PolarHBondContact O-N 3.17Å; F1906-I1909 PolarHBondContact O-N 3.17Å; F1906-K1910 VanDerWaalsContact O-CB 3.31Å; F1906-K1910 WeakPolarHBondContact O-CB 3.34Å; F1906-K1910 WeakPolarHBondContact O-CG 3.41Å; F1906-K1910 PolarHBondContact O-N 3.04Å |
| 1907 | N | 85.3 | Confident | 78.4 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 177.5 | -74.9 | -28.6 | 0 | 0 | 0 | 112.1 | A1903 S1904 I1905 I1909 K1910 T1911 | A1903-N1907 PolarHBondContact O-N 2.98Å; A1903-N1907 PolarHBondContact O-ND2 3.15Å; A1903-N1907 VanDerWaalsContact O-ND2 3.15Å; S1904-N1907 PolarHBondContact O-N 3.33Å; S1904-N1907 VanDerWaalsContact O-N 3.14Å; I1905-N1907 VanDerWaalsContact C-N 3.29Å; I1905-N1907 PolarHBondContact O-N 3.05Å; N1907-I1909 VanDerWaalsContact C-N 3.33Å; N1907-I1909 PolarHBondContact O-N 3.04Å; N1907-K1910 PolarHBondContact O-N 3.33Å; N1907-T1911 WeakPolarHBondContact O-CB 3.48Å; N1907-T1911 WeakPolarHBondContact O-CG2 3.34Å; N1907-T1911 PolarHBondContact O-N 3.22Å; N1907-T1911 PolarHBondContact O-OG1 3.32Å |
| 1908 | I | 82.9 | Confident | 76.4 | Confident | 28.2 Ų | 28.2 | 71.2 Ų | 71.2 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 174.6 | -64.3 | 164.3 | 0 | 0 | 0 | 110.5 | S1904 I1905 K1910 T1911 S1912 I1924 K1927 L1928 A1931 | S1904-I1908 WeakPolarHBondContact O-CG1 3.45Å; S1904-I1908 PolarHBondContact O-N 3.12Å; I1905-I1908 PolarHBondContact O-N 3.26Å; I1908-K1910 VanDerWaalsContact C-N 3.33Å; I1908-K1910 PolarHBondContact O-N 3.04Å; I1908-T1911 WeakPolarHBondContact CA-OG1 3.49Å; I1908-T1911 PolarHBondContact O-N 3.35Å; I1908-T1911 PolarHBondContact O-OG1 3.15Å; I1908-T1911 VanDerWaalsContact O-OG1 3.07Å; I1908-S1912 WeakPolarHBondContact O-CB 3.45Å; I1908-S1912 PolarHBondContact O-N 3.07Å; I1908-S1912 VanDerWaalsContact O-N 3.1Å; I1908-S1912 PolarHBondContact O-OG 3.1Å; I1908-I1924 HydrophobicContact CG2-CG2 4.29Å; I1908-K1927 HydrophobicContact CD1-CB 4.4Å; I1908-K1927 HydrophobicContact CG2-CB 4.41Å; I1908-L1928 HydrophobicContact CB-CD1 4.3Å; I1908-L1928 HydrophobicContact CB-CD2 3.83Å; I1908-L1928 HydrophobicContact CB-CG 4.46Å; I1908-L1928 HydrophobicContact CG2-CB 4.25Å; I1908-L1928 HydrophobicContact CG2-CD1 4.18Å; I1908-L1928 HydrophobicContact CG2-CD2 3.47Å; I1908-L1928 VanDerWaalsContact CG2-CD2 3.47Å; I1908-L1928 HydrophobicContact CG2-CG 3.58Å; I1908-A1931 HydrophobicContact CD1-CB 3.59Å |
| 1909 | I | 80.6 | Confident | 74.3 | Confident | 5.4 Ų | 5.4 | 76.8 Ų | 76.8 | 3% | 0.028 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.7 | -65.6 | 164.8 | 0 | 0 | 0 | 110.7 | L1858 A1861 N1862 I1905 F1906 N1907 S1912 R1913 L1928 | L1858-I1909 HydrophobicContact CD2-CB 4.32Å; L1858-I1909 HydrophobicContact CD2-CG1 4.28Å; L1858-I1909 HydrophobicContact CD2-CG2 4.31Å; A1861-I1909 HydrophobicContact CB-CD1 3.87Å; A1861-I1909 HydrophobicContact CB-CG1 4.23Å; N1862-I1909 HydrophobicContact CB-CD1 4.19Å; I1905-I1909 HydrophobicContact CG2-CD1 3.89Å; I1905-I1909 HydrophobicContact CG2-CG1 4.46Å; I1905-I1909 VanDerWaalsContact O-CG1 3.3Å; I1905-I1909 WeakPolarHBondContact O-CG1 3.4Å; I1905-I1909 PolarHBondContact O-N 3.17Å; F1906-I1909 PolarHBondContact O-N 3.17Å; N1907-I1909 VanDerWaalsContact C-N 3.33Å; N1907-I1909 PolarHBondContact O-N 3.04Å; I1909-S1912 PolarHBondContact O-N 3.16Å; I1909-S1912 PolarHBondContact O-OG 3Å; I1909-R1913 PolarHBondContact O-N 3.08Å; I1909-L1928 HydrophobicContact CG1-CD1 4.32Å; I1909-L1928 HydrophobicContact CG1-CD2 4.32Å |
| 1910 | K | 80.7 | Confident | 72.6 | Confident | 152.6 Ų | 152.6 | 76.1 Ų | 76.1 | 66% | 0.663 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.7 | -40.9 | -179.5 | -151.3 | 177.7 | -177.7 | 180 | 0 | 112.5 | F1906 N1907 I1908 S1912 R1913 | F1906-K1910 VanDerWaalsContact O-CB 3.31Å; F1906-K1910 WeakPolarHBondContact O-CB 3.34Å; F1906-K1910 WeakPolarHBondContact O-CG 3.41Å; F1906-K1910 PolarHBondContact O-N 3.04Å; N1907-K1910 PolarHBondContact O-N 3.33Å; I1908-K1910 VanDerWaalsContact C-N 3.33Å; I1908-K1910 PolarHBondContact O-N 3.04Å; K1910-S1912 VanDerWaalsContact C-N 3.3Å; K1910-S1912 PolarHBondContact O-N 3.07Å; K1910-R1913 PolarHBondContact O-N 3.21Å |
| 1911 | T | 74.6 | Confident | 70.9 | Confident | 83.6 Ų | 83.6 | 73.4 Ų | 73.4 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 177.4 | 35.2 | 0 | 0 | 0 | 0 | 111.8 | N1907 I1908 R1913 S1914 T1915 | N1907-T1911 WeakPolarHBondContact O-CB 3.48Å; N1907-T1911 WeakPolarHBondContact O-CG2 3.34Å; N1907-T1911 PolarHBondContact O-N 3.22Å; N1907-T1911 PolarHBondContact O-OG1 3.32Å; I1908-T1911 WeakPolarHBondContact CA-OG1 3.49Å; I1908-T1911 PolarHBondContact O-N 3.35Å; I1908-T1911 PolarHBondContact O-OG1 3.15Å; I1908-T1911 VanDerWaalsContact O-OG1 3.07Å; T1911-R1913 VanDerWaalsContact C-N 3.32Å; T1911-R1913 PolarHBondContact O-N 3.22Å; T1911-R1913 VanDerWaalsContact O-N 3.16Å; T1911-S1914 PolarHBondContact O-N 3.19Å; T1911-S1914 VanDerWaalsContact O-N 3.15Å; T1911-T1915 WeakPolarHBondContact O-CG2 3.32Å; T1911-T1915 PolarHBondContact O-N 3.26Å; T1911-T1915 PolarHBondContact O-OG1 3.01Å |
| 1912 | S | 67.5 | Low | 69.7 | Low | 21.4 Ų | 21.4 | 77.6 Ų | 77.6 | 15% | 0.15 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.8 | -31.4 | 175.9 | 36.3 | 0 | 0 | 0 | 0 | 113.5 | L1858 I1908 I1909 K1910 S1914 T1915 I1924 | L1858-S1912 VanDerWaalsContact CD2-OG 3.29Å; L1858-S1912 WeakPolarHBondContact CD2-OG 3.21Å; I1908-S1912 WeakPolarHBondContact O-CB 3.45Å; I1908-S1912 PolarHBondContact O-N 3.07Å; I1908-S1912 VanDerWaalsContact O-N 3.1Å; I1908-S1912 PolarHBondContact O-OG 3.1Å; I1909-S1912 PolarHBondContact O-N 3.16Å; I1909-S1912 PolarHBondContact O-OG 3Å; K1910-S1912 VanDerWaalsContact C-N 3.3Å; K1910-S1912 PolarHBondContact O-N 3.07Å; S1912-S1914 VanDerWaalsContact C-N 3.29Å; S1912-S1914 PolarHBondContact O-N 3.25Å; S1912-T1915 PolarHBondContact O-N 3.32Å; S1912-T1915 PolarHBondContact O-OG1 3.23Å; S1912-I1924 WeakPolarHBondContact OG-CG2 3.33Å |
| 1913 | R | 65.8 | Low | 68.7 | Low | 187.4 Ų | 187.4 | 81.6 Ų | 81.6 | 71% | 0.707 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.2 | 176.1 | -70.5 | -177.4 | -170.7 | 174.3 | 3.3 | 113.8 | I1909 K1910 T1911 | I1909-R1913 PolarHBondContact O-N 3.08Å; K1910-R1913 PolarHBondContact O-N 3.21Å; T1911-R1913 VanDerWaalsContact C-N 3.32Å; T1911-R1913 PolarHBondContact O-N 3.22Å; T1911-R1913 VanDerWaalsContact O-N 3.16Å |
| 1914 | S | 59.9 | Low | 67.9 | Low | 103.8 Ų | 103.8 | 81.4 Ų | 81.4 | 73% | 0.726 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -10.4 | -173 | -169.7 | 0 | 0 | 0 | 0 | 114.1 | T1911 S1912 | T1911-S1914 PolarHBondContact O-N 3.19Å; T1911-S1914 VanDerWaalsContact O-N 3.15Å; S1912-S1914 VanDerWaalsContact C-N 3.29Å; S1912-S1914 PolarHBondContact O-N 3.25Å |
| 1915 | T | 52.1 | Low | 67.2 | Low | 83 Ų | 83 | 80.2 Ų | 80.2 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -103.2 | 130.8 | -175.3 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | T1911 S1912 | T1911-T1915 WeakPolarHBondContact O-CG2 3.32Å; T1911-T1915 PolarHBondContact O-N 3.26Å; T1911-T1915 PolarHBondContact O-OG1 3.01Å; S1912-T1915 PolarHBondContact O-N 3.32Å; S1912-T1915 PolarHBondContact O-OG1 3.23Å |
| 1916 | N | 49.6 | Very low | 66.7 | Low | 149.4 Ų | 149.4 | 86 Ų | 86 | 80% | 0.799 | 48% | 0.479 | S | S | * | . | trans | -61.1 | 140 | 176.2 | -80.6 | -25.6 | 0 | 0 | 0 | 111 | T1918 | N1916-T1918 VanDerWaalsContact C-N 3.28Å; N1916-T1918 PolarHBondContact O-N 3.27Å; N1916-T1918 VanDerWaalsContact O-N 3.1Å | ||
| 1917 | P | 51 | Low | 66.4 | Low | 108.8 Ų | 108.8 | 88.2 Ų | 88.2 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -82.2 | 17.1 | -155.9 | 31.9 | -37.1 | 0 | 0 | 0 | 116.1 | S1919 | P1917-S1919 PolarHBondContact O-N 3.15Š|
| 1918 | T | 48.9 | Very low | 66.3 | Low | 132.6 Ų | 132.6 | 83.7 Ų | 83.7 | 81% | 0.813 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -95.8 | -2.9 | -165.1 | 52.4 | 0 | 0 | 0 | 0 | 116.6 | N1916 | N1916-T1918 VanDerWaalsContact C-N 3.28Å; N1916-T1918 PolarHBondContact O-N 3.27Å; N1916-T1918 VanDerWaalsContact O-N 3.1Å |
| 1919 | S | 46.7 | Very low | 66.4 | Low | 117.6 Ų | 117.6 | 82.7 Ų | 82.7 | 82% | 0.822 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -157.5 | 20.1 | -178.4 | -166.2 | 0 | 0 | 0 | 0 | 117.9 | P1917 | P1917-S1919 PolarHBondContact O-N 3.15Š|
| 1920 | G | 54.1 | Low | 66.6 | Low | 28.6 Ų | 28.6 | 85.4 Ų | 85.4 | 30% | 0.295 | 48% | 0.48 | S | S | . | . | trans | -142.3 | 12.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | T1922 D1923 I1924 | G1920-T1922 PolarHBondContact O-N 2.99Å; G1920-D1923 PolarHBondContact O-N 2.93Å; G1920-I1924 WeakPolarHBondContact O-CD1 3.48Å; G1920-I1924 VanDerWaalsContact O-CG1 3.27Å; G1920-I1924 WeakPolarHBondContact O-CG1 3.34Å; G1920-I1924 PolarHBondContact O-N 3.17Å; G1920-I1924 VanDerWaalsContact O-N 3.11Å | ||
| 1921 | T | 57.2 | Low | 66.9 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | -168.9 | -13.7 | 0 | 0 | 0 | 0 | 113.9 | P1853 D1923 I1924 I1925 | P1853-T1921 HydrophobicContact CB-CG2 4Å; P1853-T1921 VanDerWaalsContact CD-CG2 3.41Å; P1853-T1921 HydrophobicContact CG-CG2 3.76Å; P1853-T1921 VanDerWaalsContact CG-CG2 3.48Å; T1921-D1923 PolarHBondContact O-N 3.32Å; T1921-I1924 PolarHBondContact O-N 3.14Å; T1921-I1925 VanDerWaalsContact O-CG1 3.3Å; T1921-I1925 WeakPolarHBondContact O-CG1 3.39Å; T1921-I1925 PolarHBondContact O-N 3.18Å; T1921-I1925 VanDerWaalsContact O-N 3.1Å |
| 1922 | T | 63 | Low | 67.6 | Low | 104.8 Ų | 104.8 | 74.5 Ų | 74.5 | 64% | 0.643 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | 178.9 | 43.8 | 0 | 0 | 0 | 0 | 112.2 | G1920 I1924 I1925 Q1926 | G1920-T1922 PolarHBondContact O-N 2.99Å; T1922-I1924 VanDerWaalsContact C-N 3.31Å; T1922-I1924 PolarHBondContact O-N 3.32Å; T1922-I1925 PolarHBondContact O-N 3.32Å; T1922-Q1926 WeakPolarHBondContact O-CB 3.23Å; T1922-Q1926 PolarHBondContact O-N 3.23Å |
| 1923 | D | 69.6 | Low | 68.6 | Low | 86.2 Ų | 86.2 | 75.9 Ų | 75.9 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.2 | -35.3 | 179.2 | -93.4 | 16.3 | 0 | 0 | 0 | 112.2 | G1920 T1921 K1927 | G1920-D1923 PolarHBondContact O-N 2.93Å; T1921-D1923 PolarHBondContact O-N 3.32Å; D1923-K1927 VanDerWaalsContact CG-NZ 3.26Å; D1923-K1927 WeakPolarHBondContact O-CB 3.33Å; D1923-K1927 VanDerWaalsContact O-CD 3.24Å; D1923-K1927 WeakPolarHBondContact O-CD 3.33Å; D1923-K1927 VanDerWaalsContact O-CG 3.28Å; D1923-K1927 WeakPolarHBondContact O-CG 3.25Å; D1923-K1927 PolarHBondContact O-N 3.15Å; D1923-K1927 WeakPolarHBondContact OD1-CE 3.46Å; D1923-K1927 IonicContact OD1-NZ 3.97Å; D1923-K1927 PolarHBondContact OD1-NZ 3.4Å; D1923-K1927 IonicContact OD2-NZ 3.33Å; D1923-K1927 PolarHBondContact OD2-NZ 2.97Å |
| 1924 | I | 72.3 | Confident | 69.8 | Low | 39.4 Ų | 39.4 | 71 Ų | 71 | 20% | 0.202 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 177.1 | -66.2 | 166.5 | 0 | 0 | 0 | 110.4 | I1908 S1912 G1920 T1921 T1922 Q1926 K1927 L1928 | I1908-I1924 HydrophobicContact CG2-CG2 4.29Å; S1912-I1924 WeakPolarHBondContact OG-CG2 3.33Å; G1920-I1924 WeakPolarHBondContact O-CD1 3.48Å; G1920-I1924 VanDerWaalsContact O-CG1 3.27Å; G1920-I1924 WeakPolarHBondContact O-CG1 3.34Å; G1920-I1924 PolarHBondContact O-N 3.17Å; G1920-I1924 VanDerWaalsContact O-N 3.11Å; T1921-I1924 PolarHBondContact O-N 3.14Å; T1922-I1924 VanDerWaalsContact C-N 3.31Å; T1922-I1924 PolarHBondContact O-N 3.32Å; I1924-Q1926 VanDerWaalsContact C-N 3.33Å; I1924-Q1926 PolarHBondContact O-N 3.4Å; I1924-K1927 PolarHBondContact O-N 3.09Å; I1924-L1928 HydrophobicContact CG2-CD1 4.16Å; I1924-L1928 VanDerWaalsContact O-CB 3.29Å; I1924-L1928 WeakPolarHBondContact O-CB 3.27Å; I1924-L1928 WeakPolarHBondContact O-CG 3.29Å; I1924-L1928 PolarHBondContact O-N 3.08Å |
| 1925 | I | 73.2 | Confident | 71.3 | Confident | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.128 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 178.4 | -65.2 | 169.9 | 0 | 0 | 0 | 110 | Q1844 P1853 I1857 T1921 T1922 K1927 L1928 C1929 | Q1844-I1925 HydrophobicContact CB-CG2 4.42Å; Q1844-I1925 HydrophobicContact CG-CG2 4.17Å; P1853-I1925 HydrophobicContact CB-CD1 4.44Å; I1857-I1925 HydrophobicContact CD1-CD1 4.28Å; I1857-I1925 HydrophobicContact CD1-CG1 4.46Å; T1921-I1925 VanDerWaalsContact O-CG1 3.3Å; T1921-I1925 WeakPolarHBondContact O-CG1 3.39Å; T1921-I1925 PolarHBondContact O-N 3.18Å; T1921-I1925 VanDerWaalsContact O-N 3.1Å; T1922-I1925 PolarHBondContact O-N 3.32Å; I1925-K1927 VanDerWaalsContact C-N 3.34Å; I1925-K1927 PolarHBondContact O-N 3.03Å; I1925-L1928 WeakPolarHBondContact O-CB 3.41Å; I1925-L1928 PolarHBondContact O-N 3.15Å; I1925-L1928 VanDerWaalsContact O-N 3.15Å; I1925-C1929 PolarHBondContact O-N 3.21Å; I1925-C1929 PolarHBondContact O-SG 3.14Å; I1925-C1929 VanDerWaalsContact O-SG 3.35Å |
| 1926 | Q | 78.2 | Confident | 73.1 | Confident | 122.8 Ų | 122.8 | 64.5 Ų | 64.5 | 57% | 0.574 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 177.5 | -173.1 | 175.2 | -5.7 | 0 | 0 | 112.3 | T1922 I1924 L1928 C1929 S1930 | T1922-Q1926 WeakPolarHBondContact O-CB 3.23Å; T1922-Q1926 PolarHBondContact O-N 3.23Å; I1924-Q1926 VanDerWaalsContact C-N 3.33Å; I1924-Q1926 PolarHBondContact O-N 3.4Å; Q1926-L1928 VanDerWaalsContact C-N 3.32Å; Q1926-L1928 PolarHBondContact O-N 3.17Å; Q1926-C1929 PolarHBondContact O-N 3.21Å; Q1926-S1930 PolarHBondContact O-N 3.17Å; Q1926-S1930 VanDerWaalsContact O-N 3.09Å; Q1926-S1930 PolarHBondContact O-OG 3.07Å |
| 1927 | K | 81.5 | Confident | 75.1 | Confident | 117.6 Ų | 117.6 | 61.6 Ų | 61.6 | 51% | 0.511 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 173.7 | -76.2 | 170.8 | -174.6 | 167 | 0 | 111.5 | I1908 D1923 I1924 I1925 S1930 A1931 | I1908-K1927 HydrophobicContact CD1-CB 4.4Å; I1908-K1927 HydrophobicContact CG2-CB 4.41Å; D1923-K1927 VanDerWaalsContact CG-NZ 3.26Å; D1923-K1927 WeakPolarHBondContact O-CB 3.33Å; D1923-K1927 VanDerWaalsContact O-CD 3.24Å; D1923-K1927 WeakPolarHBondContact O-CD 3.33Å; D1923-K1927 VanDerWaalsContact O-CG 3.28Å; D1923-K1927 WeakPolarHBondContact O-CG 3.25Å; D1923-K1927 PolarHBondContact O-N 3.15Å; D1923-K1927 WeakPolarHBondContact OD1-CE 3.46Å; D1923-K1927 IonicContact OD1-NZ 3.97Å; D1923-K1927 PolarHBondContact OD1-NZ 3.4Å; D1923-K1927 IonicContact OD2-NZ 3.33Å; D1923-K1927 PolarHBondContact OD2-NZ 2.97Å; I1924-K1927 PolarHBondContact O-N 3.09Å; I1925-K1927 VanDerWaalsContact C-N 3.34Å; I1925-K1927 PolarHBondContact O-N 3.03Å; K1927-S1930 WeakPolarHBondContact CA-OG 3.48Å; K1927-S1930 PolarHBondContact O-N 3.2Å; K1927-S1930 PolarHBondContact O-OG 3.1Å; K1927-A1931 WeakPolarHBondContact O-CB 3.24Å; K1927-A1931 PolarHBondContact O-N 3.04Å |
| 1928 | L | 83.7 | Confident | 77 | Confident | 2.8 Ų | 2.8 | 57.5 Ų | 57.5 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 178.2 | -155.7 | 81.2 | 0 | 0 | 0 | 112.1 | I1840 I1857 L1858 A1861 I1905 I1908 I1909 I1924 I1925 Q1926 S1930 A1931 S1932 | I1840-L1928 HydrophobicContact CG2-CD2 4.26Å; I1840-L1928 HydrophobicContact CG2-CG 4.21Å; I1857-L1928 HydrophobicContact CG2-CD1 4.48Å; I1857-L1928 HydrophobicContact CG2-CD2 3.77Å; L1858-L1928 HydrophobicContact CD2-CD1 4.08Å; A1861-L1928 HydrophobicContact CB-CD1 3.84Å; A1861-L1928 HydrophobicContact CB-CD2 3.9Å; A1861-L1928 HydrophobicContact CB-CG 4.23Å; I1905-L1928 HydrophobicContact CG2-CD1 4.08Å; I1905-L1928 HydrophobicContact CG2-CD2 4.29Å; I1908-L1928 HydrophobicContact CB-CD1 4.3Å; I1908-L1928 HydrophobicContact CB-CD2 3.83Å; I1908-L1928 HydrophobicContact CB-CG 4.46Å; I1908-L1928 HydrophobicContact CG2-CB 4.25Å; I1908-L1928 HydrophobicContact CG2-CD1 4.18Å; I1908-L1928 HydrophobicContact CG2-CD2 3.47Å; I1908-L1928 VanDerWaalsContact CG2-CD2 3.47Å; I1908-L1928 HydrophobicContact CG2-CG 3.58Å; I1909-L1928 HydrophobicContact CG1-CD1 4.32Å; I1909-L1928 HydrophobicContact CG1-CD2 4.32Å; I1924-L1928 HydrophobicContact CG2-CD1 4.16Å; I1924-L1928 VanDerWaalsContact O-CB 3.29Å; I1924-L1928 WeakPolarHBondContact O-CB 3.27Å; I1924-L1928 WeakPolarHBondContact O-CG 3.29Å; I1924-L1928 PolarHBondContact O-N 3.08Å; I1925-L1928 WeakPolarHBondContact O-CB 3.41Å; I1925-L1928 PolarHBondContact O-N 3.15Å; I1925-L1928 VanDerWaalsContact O-N 3.15Å; Q1926-L1928 VanDerWaalsContact C-N 3.32Å; Q1926-L1928 PolarHBondContact O-N 3.17Å; L1928-S1930 VanDerWaalsContact C-N 3.34Å; L1928-S1930 PolarHBondContact O-N 3.1Å; L1928-A1931 PolarHBondContact O-N 3.16Å; L1928-S1932 VanDerWaalsContact O-CB 3.3Å; L1928-S1932 WeakPolarHBondContact O-CB 3.36Å; L1928-S1932 PolarHBondContact O-N 3.14Å; L1928-S1932 PolarHBondContact O-OG 3.29Å; L1928-S1932 VanDerWaalsContact O-OG 3.07Å |
| 1929 | C | 84.1 | Confident | 79 | Confident | 7.8 Ų | 7.8 | 51.2 Ų | 51.2 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 175.6 | -66 | 0 | 0 | 0 | 0 | 111 | I1840 Q1844 I1925 Q1926 A1931 S1932 S1933 | I1840-C1929 PolarHBondContact O-SG 3.32Å; Q1844-C1929 PolarHBondContact OE1-SG 2.87Å; Q1844-C1929 VanDerWaalsContact OE1-SG 3.34Å; I1925-C1929 PolarHBondContact O-N 3.21Å; I1925-C1929 PolarHBondContact O-SG 3.14Å; I1925-C1929 VanDerWaalsContact O-SG 3.35Å; Q1926-C1929 PolarHBondContact O-N 3.21Å; C1929-A1931 PolarHBondContact O-N 3.28Å; C1929-S1932 WeakPolarHBondContact O-CB 3.4Å; C1929-S1932 PolarHBondContact O-N 3.18Å; C1929-S1932 VanDerWaalsContact O-N 3.13Å; C1929-S1933 PolarHBondContact O-N 3.15Å; C1929-S1933 PolarHBondContact O-OG 3.11Å |
| 1930 | S | 85.1 | Confident | 81 | Confident | 62.4 Ų | 62.4 | 48.1 Ų | 48.1 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 178.9 | 67.3 | 0 | 0 | 0 | 0 | 113 | Q1926 K1927 L1928 S1932 S1933 I1934 | Q1926-S1930 PolarHBondContact O-N 3.17Å; Q1926-S1930 VanDerWaalsContact O-N 3.09Å; Q1926-S1930 PolarHBondContact O-OG 3.07Å; K1927-S1930 WeakPolarHBondContact CA-OG 3.48Å; K1927-S1930 PolarHBondContact O-N 3.2Å; K1927-S1930 PolarHBondContact O-OG 3.1Å; L1928-S1930 VanDerWaalsContact C-N 3.34Å; L1928-S1930 PolarHBondContact O-N 3.1Å; S1930-S1932 VanDerWaalsContact C-N 3.34Å; S1930-S1933 PolarHBondContact O-N 3.35Å; S1930-S1933 PolarHBondContact O-OG 2.9Å; S1930-I1934 WeakPolarHBondContact O-CD1 3.43Å; S1930-I1934 VanDerWaalsContact O-CG1 3.25Å; S1930-I1934 WeakPolarHBondContact O-CG1 3.35Å; S1930-I1934 PolarHBondContact O-N 3.42Å; S1930-I1934 VanDerWaalsContact O-N 3.12Å |
| 1931 | A | 87.7 | Confident | 82.6 | Confident | 7.2 Ų | 7.2 | 52 Ų | 52 | 6% | 0.06 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1905 I1908 K1927 L1928 C1929 I1934 L1935 | I1905-A1931 HydrophobicContact CG1-CB 3.91Å; I1908-A1931 HydrophobicContact CD1-CB 3.59Å; K1927-A1931 WeakPolarHBondContact O-CB 3.24Å; K1927-A1931 PolarHBondContact O-N 3.04Å; L1928-A1931 PolarHBondContact O-N 3.16Å; C1929-A1931 PolarHBondContact O-N 3.28Å; A1931-I1934 PolarHBondContact O-N 3.39Å; A1931-L1935 PolarHBondContact O-N 2.95Å; A1931-L1935 VanDerWaalsContact O-N 3.13Å |
| 1932 | S | 88.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 176.8 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | V1837 L1864 L1928 C1929 S1930 L1935 E1936 | V1837-S1932 WeakPolarHBondContact CG2-O 3.34Å; L1864-S1932 VanDerWaalsContact CD2-OG 3.25Å; L1864-S1932 WeakPolarHBondContact CD2-OG 3.45Å; L1928-S1932 VanDerWaalsContact O-CB 3.3Å; L1928-S1932 WeakPolarHBondContact O-CB 3.36Å; L1928-S1932 PolarHBondContact O-N 3.14Å; L1928-S1932 PolarHBondContact O-OG 3.29Å; L1928-S1932 VanDerWaalsContact O-OG 3.07Å; C1929-S1932 WeakPolarHBondContact O-CB 3.4Å; C1929-S1932 PolarHBondContact O-N 3.18Å; C1929-S1932 VanDerWaalsContact O-N 3.13Å; S1930-S1932 VanDerWaalsContact C-N 3.34Å; S1932-L1935 PolarHBondContact O-N 3.19Å; S1932-E1936 PolarHBondContact O-N 3.19Å; S1932-E1936 VanDerWaalsContact O-N 3.09Å |
| 1933 | S | 88.4 | Confident | 85.1 | Confident | 50.2 Ų | 50.2 | 45.1 Ų | 45.1 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.6 | -35.7 | 174.9 | -49.6 | 0 | 0 | 0 | 0 | 112.8 | C1929 S1930 L1935 E1936 V1937 | C1929-S1933 PolarHBondContact O-N 3.15Å; C1929-S1933 PolarHBondContact O-OG 3.11Å; S1930-S1933 PolarHBondContact O-N 3.35Å; S1930-S1933 PolarHBondContact O-OG 2.9Å; S1933-L1935 VanDerWaalsContact C-N 3.34Å; S1933-E1936 WeakPolarHBondContact O-CB 3.45Å; S1933-E1936 PolarHBondContact O-N 3.24Å; S1933-V1937 WeakPolarHBondContact O-CG2 3.36Å; S1933-V1937 PolarHBondContact O-N 3.11Å; S1933-V1937 VanDerWaalsContact O-N 3.15Å |
| 1934 | I | 90.1 | Very high | 85.5 | Confident | 84.8 Ų | 84.8 | 46.3 Ų | 46.3 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.4 | -44 | 173.4 | -68.6 | 163.8 | 0 | 0 | 0 | 110.3 | S1930 A1931 E1936 V1937 D1938 | S1930-I1934 WeakPolarHBondContact O-CD1 3.43Å; S1930-I1934 VanDerWaalsContact O-CG1 3.25Å; S1930-I1934 WeakPolarHBondContact O-CG1 3.35Å; S1930-I1934 PolarHBondContact O-N 3.42Å; S1930-I1934 VanDerWaalsContact O-N 3.12Å; A1931-I1934 PolarHBondContact O-N 3.39Å; I1934-E1936 VanDerWaalsContact C-N 3.3Å; I1934-E1936 PolarHBondContact O-N 3.22Å; I1934-V1937 PolarHBondContact O-N 3.23Å; I1934-D1938 PolarHBondContact O-N 3.09Å |
| 1935 | L | 91.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -38.2 | 176.6 | 177.8 | 63.2 | 0 | 0 | 0 | 112.2 | L1864 A1868 V1898 A1902 I1905 A1931 S1932 S1933 D1938 V1939 | L1864-L1935 HydrophobicContact CD1-CD2 3.8Å; L1864-L1935 HydrophobicContact CD2-CD2 4.32Å; L1864-L1935 HydrophobicContact CG-CD2 3.84Å; A1868-L1935 HydrophobicContact CB-CD1 4.03Å; A1868-L1935 HydrophobicContact CB-CD2 3.91Å; A1868-L1935 HydrophobicContact CB-CG 4.4Å; V1898-L1935 HydrophobicContact CG1-CD1 4.07Å; V1898-L1935 WeakPolarHBondContact O-CD1 3.45Å; A1902-L1935 HydrophobicContact CB-CD1 4.45Å; A1902-L1935 HydrophobicContact CB-CD2 4.48Å; I1905-L1935 HydrophobicContact CD1-CB 4.08Å; I1905-L1935 HydrophobicContact CD1-CD2 3.48Å; I1905-L1935 VanDerWaalsContact CD1-CD2 3.45Å; I1905-L1935 HydrophobicContact CD1-CG 4.39Å; A1931-L1935 PolarHBondContact O-N 2.95Å; A1931-L1935 VanDerWaalsContact O-N 3.13Å; S1932-L1935 PolarHBondContact O-N 3.19Å; S1933-L1935 VanDerWaalsContact C-N 3.34Å; L1935-D1938 PolarHBondContact O-N 3.12Å; L1935-V1939 HydrophobicContact CD1-CG2 3.98Å; L1935-V1939 HydrophobicContact CG-CG2 4.32Å; L1935-V1939 VanDerWaalsContact O-CB 3.28Å; L1935-V1939 WeakPolarHBondContact O-CB 3.26Å; L1935-V1939 WeakPolarHBondContact O-CG2 3.45Å; L1935-V1939 PolarHBondContact O-N 3.23Å |
| 1936 | E | 90.8 | Very high | 86.1 | Confident | 50.6 Ų | 50.6 | 45.1 Ų | 45.1 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 175.5 | -170.8 | 172.4 | -156.8 | 0 | 0 | 111.7 | R1834 V1837 S1932 S1933 I1934 D1938 V1939 D1940 | R1834-E1936 WeakPolarHBondContact CA-OE1 3.48Å; R1834-E1936 WeakPolarHBondContact CB-OE1 3.48Å; R1834-E1936 HydrophobicContact CG-CG 4.39Å; R1834-E1936 WeakPolarHBondContact CG-OE1 3.42Å; V1837-E1936 HydrophobicContact CG1-CB 4.44Å; V1837-E1936 WeakPolarHBondContact CG1-OE2 3.3Å; V1837-E1936 HydrophobicContact CG2-CB 4.3Å; S1932-E1936 PolarHBondContact O-N 3.19Å; S1932-E1936 VanDerWaalsContact O-N 3.09Å; S1933-E1936 WeakPolarHBondContact O-CB 3.45Å; S1933-E1936 PolarHBondContact O-N 3.24Å; I1934-E1936 VanDerWaalsContact C-N 3.3Å; I1934-E1936 PolarHBondContact O-N 3.22Å; E1936-D1938 PolarHBondContact O-N 3.15Å; E1936-V1939 PolarHBondContact O-N 3.16Å; E1936-D1940 WeakPolarHBondContact O-CB 3.36Å; E1936-D1940 PolarHBondContact O-N 3.13Å |
| 1937 | V | 91.1 | Very high | 85.9 | Confident | 88.4 Ų | 88.4 | 41.8 Ų | 41.8 | 54% | 0.536 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | S1933 I1934 V1939 D1940 Q1941 | S1933-V1937 WeakPolarHBondContact O-CG2 3.36Å; S1933-V1937 PolarHBondContact O-N 3.11Å; S1933-V1937 VanDerWaalsContact O-N 3.15Å; I1934-V1937 PolarHBondContact O-N 3.23Å; V1937-V1939 VanDerWaalsContact C-N 3.31Å; V1937-V1939 PolarHBondContact O-N 3.24Å; V1937-D1940 PolarHBondContact O-N 3.06Å; V1937-Q1941 WeakPolarHBondContact O-CB 3.43Å; V1937-Q1941 WeakPolarHBondContact O-CG 3.4Å; V1937-Q1941 PolarHBondContact O-N 3.01Å |
| 1938 | D | 90.7 | Very high | 85.3 | Confident | 22.4 Ų | 22.4 | 43.6 Ų | 43.6 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 177.4 | -72.4 | -24 | 0 | 0 | 0 | 111.5 | V1898 S1901 I1934 L1935 E1936 Y1942 | V1898-D1938 HydrophobicContact CG2-CB 4.06Å; V1898-D1938 WeakPolarHBondContact CG2-O 3.39Å; S1901-D1938 VanDerWaalsContact CB-OD2 3.3Å; S1901-D1938 WeakPolarHBondContact CB-OD2 3.3Å; S1901-D1938 PolarHBondContact OG-OD2 3.05Å; I1934-D1938 PolarHBondContact O-N 3.09Å; L1935-D1938 PolarHBondContact O-N 3.12Å; E1936-D1938 PolarHBondContact O-N 3.15Å; D1938-Y1942 VanDerWaalsContact O-CB 3.29Å; D1938-Y1942 WeakPolarHBondContact O-CB 3.35Å; D1938-Y1942 PolarHBondContact O-N 3.1Å |
| 1939 | V | 91.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.9 | -43.5 | 176.9 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | V1830 I1833 L1871 V1898 L1935 E1936 V1937 Y1942 I1943 | V1830-V1939 HydrophobicContact CG2-CG1 4.26Å; I1833-V1939 HydrophobicContact CD1-CG1 4.21Å; I1833-V1939 HydrophobicContact CD1-CG2 4.18Å; I1833-V1939 HydrophobicContact CG2-CG1 4.45Å; I1833-V1939 HydrophobicContact CG2-CG2 4.46Å; L1871-V1939 HydrophobicContact CD2-CG1 3.9Å; L1871-V1939 HydrophobicContact CD2-CG2 4.35Å; V1898-V1939 HydrophobicContact CG1-CG2 3.76Å; V1898-V1939 HydrophobicContact CG2-CG2 4.14Å; L1935-V1939 HydrophobicContact CD1-CG2 3.98Å; L1935-V1939 HydrophobicContact CG-CG2 4.32Å; L1935-V1939 VanDerWaalsContact O-CB 3.28Å; L1935-V1939 WeakPolarHBondContact O-CB 3.26Å; L1935-V1939 WeakPolarHBondContact O-CG2 3.45Å; L1935-V1939 PolarHBondContact O-N 3.23Å; E1936-V1939 PolarHBondContact O-N 3.16Å; V1937-V1939 VanDerWaalsContact C-N 3.31Å; V1937-V1939 PolarHBondContact O-N 3.24Å; V1939-Y1942 WeakPolarHBondContact O-CB 3.33Å; V1939-Y1942 PolarHBondContact O-N 3.07Å; V1939-I1943 HydrophobicContact CG1-CD1 3.48Å; V1939-I1943 VanDerWaalsContact CG1-CD1 3.48Å; V1939-I1943 HydrophobicContact CG1-CG1 4.23Å; V1939-I1943 WeakPolarHBondContact O-CB 3.38Å; V1939-I1943 VanDerWaalsContact O-CD1 3.28Å; V1939-I1943 WeakPolarHBondContact O-CD1 3.3Å; V1939-I1943 WeakPolarHBondContact O-CG1 3.38Å; V1939-I1943 PolarHBondContact O-N 3.21Å |
| 1940 | D | 87.8 | Confident | 83.2 | Confident | 51.4 Ų | 51.4 | 44.5 Ų | 44.5 | 28% | 0.275 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 177.8 | -79.7 | -7.9 | 0 | 0 | 0 | 111.6 | R1834 E1936 V1937 Y1942 I1943 D1944 | R1834-D1940 IonicContact CZ-OD1 3.32Å; R1834-D1940 VanDerWaalsContact CZ-OD1 3.24Å; R1834-D1940 IonicContact CZ-OD2 3.34Å; R1834-D1940 IonicContact NE-OD1 2.89Å; R1834-D1940 PolarHBondContact NE-OD1 3.02Å; R1834-D1940 IonicContact NE-OD2 3.28Å; R1834-D1940 PolarHBondContact NE-OD2 3.32Å; R1834-D1940 IonicContact NH2-OD1 3.26Å; R1834-D1940 PolarHBondContact NH2-OD1 3.39Å; R1834-D1940 IonicContact NH2-OD2 3.35Å; R1834-D1940 PolarHBondContact NH2-OD2 3.11Å; E1936-D1940 WeakPolarHBondContact O-CB 3.36Å; E1936-D1940 PolarHBondContact O-N 3.13Å; V1937-D1940 PolarHBondContact O-N 3.06Å; D1940-Y1942 VanDerWaalsContact C-N 3.31Å; D1940-Y1942 PolarHBondContact O-N 3.09Å; D1940-I1943 PolarHBondContact O-N 3.29Å; D1940-D1944 WeakPolarHBondContact O-CB 3.41Å; D1940-D1944 PolarHBondContact O-N 3.24Å |
| 1941 | Q | 87.2 | Confident | 81.7 | Confident | 110.4 Ų | 110.4 | 43.2 Ų | 43.2 | 52% | 0.516 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -40.6 | 174.4 | -158.2 | 176.3 | 27.1 | 0 | 0 | 111.9 | V1937 I1943 D1944 L1945 | V1937-Q1941 WeakPolarHBondContact O-CB 3.43Å; V1937-Q1941 WeakPolarHBondContact O-CG 3.4Å; V1937-Q1941 PolarHBondContact O-N 3.01Å; Q1941-I1943 VanDerWaalsContact C-N 3.34Å; Q1941-I1943 PolarHBondContact O-N 3.49Å; Q1941-D1944 PolarHBondContact O-N 2.93Å; Q1941-L1945 HydrophobicContact CG-CD1 4.42Å; Q1941-L1945 VanDerWaalsContact O-CG 3.32Å; Q1941-L1945 WeakPolarHBondContact O-CG 3.35Å; Q1941-L1945 PolarHBondContact O-N 3.23Å; Q1941-L1945 VanDerWaalsContact O-N 3.13Å |
| 1942 | Y | 88.5 | Confident | 80.2 | Confident | 0.4 Ų | 0.4 | 44 Ų | 44 | 0% | 0.002 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.3 | 177.2 | -106.5 | 0 | 0 | 0 | 112.1 | L1871 T1875 L1891 S1894 L1895 V1898 D1938 V1939 D1940 D1944 L1945 L1946 | L1871-Y1942 HydrophobicContact CD2-CD1 4.4Å; T1875-Y1942 WeakPolarHBondContact CB-OH 3.32Å; T1875-Y1942 HydrophobicContact CG2-CE1 4.02Å; T1875-Y1942 PolarHBondContact OG1-OH 2.98Å; T1875-Y1942 VanDerWaalsContact OG1-OH 3.08Å; L1891-Y1942 HydrophobicContact CD1-CD2 3.89Å; L1891-Y1942 HydrophobicContact CD1-CE2 3.48Å; L1891-Y1942 VanDerWaalsContact CD1-CE2 3.42Å; L1891-Y1942 HydrophobicContact CD2-CE2 3.62Å; L1891-Y1942 HydrophobicContact CG-CD2 4.49Å; L1891-Y1942 HydrophobicContact CG-CE2 3.89Å; L1891-Y1942 WeakPolarHBondContact O-CE2 3.25Å; S1894-Y1942 VanDerWaalsContact OG-CA 3.27Å; S1894-Y1942 WeakPolarHBondContact OG-CA 3.42Å; S1894-Y1942 WeakPolarHBondContact OG-CB 3.35Å; S1894-Y1942 WeakPolarHBondContact OG-CD2 3.42Å; L1895-Y1942 HydrophobicContact CB-CD2 4.17Å; L1895-Y1942 HydrophobicContact CB-CE2 3.73Å; L1895-Y1942 HydrophobicContact CD1-CD1 4.31Å; L1895-Y1942 HydrophobicContact CD1-CD2 4.25Å; L1895-Y1942 HydrophobicContact CD1-CE1 3.96Å; L1895-Y1942 HydrophobicContact CD1-CE2 3.81Å; L1895-Y1942 HydrophobicContact CD1-CG 4.47Å; L1895-Y1942 VanDerWaalsContact CD1-CZ 3.45Å; L1895-Y1942 HydrophobicContact CG-CE2 4.31Å; V1898-Y1942 HydrophobicContact CG2-CG 4.28Å; D1938-Y1942 VanDerWaalsContact O-CB 3.29Å; D1938-Y1942 WeakPolarHBondContact O-CB 3.35Å; D1938-Y1942 PolarHBondContact O-N 3.1Å; V1939-Y1942 WeakPolarHBondContact O-CB 3.33Å; V1939-Y1942 PolarHBondContact O-N 3.07Å; D1940-Y1942 VanDerWaalsContact C-N 3.31Å; D1940-Y1942 PolarHBondContact O-N 3.09Å; Y1942-D1944 VanDerWaalsContact C-N 3.35Å; Y1942-L1945 PolarHBondContact O-N 3.15Å; Y1942-L1946 HydrophobicContact CE1-CB 4.48Å; Y1942-L1946 HydrophobicContact CE1-CD1 3.86Å; Y1942-L1946 HydrophobicContact CE1-CD2 4.08Å; Y1942-L1946 VanDerWaalsContact O-CB 3.24Å; Y1942-L1946 WeakPolarHBondContact O-CB 3.3Å; Y1942-L1946 PolarHBondContact O-N 3.2Å; Y1942-L1946 WeakPolarHBondContact OH-CD1 3.46Å |
| 1943 | I | 84.1 | Confident | 78.7 | Confident | 15.6 Ų | 15.6 | 46.2 Ų | 46.2 | 8% | 0.08 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 179.6 | -68.9 | -85.1 | 0 | 0 | 0 | 111.2 | I1826 V1830 L1871 V1939 D1940 Q1941 L1945 L1946 L1947 | I1826-I1943 HydrophobicContact CG2-CD1 3.6Å; V1830-I1943 HydrophobicContact CB-CD1 3.96Å; V1830-I1943 HydrophobicContact CG1-CD1 3.47Å; V1830-I1943 VanDerWaalsContact CG1-CD1 3.47Å; V1830-I1943 HydrophobicContact CG2-CD1 3.43Å; V1830-I1943 VanDerWaalsContact CG2-CD1 3.5Å; V1830-I1943 HydrophobicContact CG2-CG1 3.65Å; L1871-I1943 HydrophobicContact CD1-CD1 4.24Å; L1871-I1943 HydrophobicContact CD2-CD1 4.4Å; V1939-I1943 HydrophobicContact CG1-CD1 3.48Å; V1939-I1943 VanDerWaalsContact CG1-CD1 3.48Å; V1939-I1943 HydrophobicContact CG1-CG1 4.23Å; V1939-I1943 WeakPolarHBondContact O-CB 3.38Å; V1939-I1943 VanDerWaalsContact O-CD1 3.28Å; V1939-I1943 WeakPolarHBondContact O-CD1 3.3Å; V1939-I1943 WeakPolarHBondContact O-CG1 3.38Å; V1939-I1943 PolarHBondContact O-N 3.21Å; D1940-I1943 PolarHBondContact O-N 3.29Å; Q1941-I1943 VanDerWaalsContact C-N 3.34Å; Q1941-I1943 PolarHBondContact O-N 3.49Å; I1943-L1945 VanDerWaalsContact C-N 3.3Å; I1943-L1945 PolarHBondContact O-N 3.1Å; I1943-L1946 HydrophobicContact CD1-CD2 4.41Å; I1943-L1946 CarbonylContact O-C 3.36Å; I1943-L1946 PolarHBondContact O-N 3.06Å; I1943-L1947 HydrophobicContact CG2-CD1 3.58Å; I1943-L1947 VanDerWaalsContact CG2-CD1 3.44Å; I1943-L1947 HydrophobicContact CG2-CG 4.02Å; I1943-L1947 VanDerWaalsContact O-CB 3.28Å; I1943-L1947 WeakPolarHBondContact O-CB 3.3Å; I1943-L1947 VanDerWaalsContact O-CG 3.28Å; I1943-L1947 WeakPolarHBondContact O-CG 3.38Å; I1943-L1947 PolarHBondContact O-N 3.05Å |
| 1944 | D | 79.3 | Confident | 77.3 | Confident | 112.2 Ų | 112.2 | 47.1 Ų | 47.1 | 60% | 0.6 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 175.6 | -136.9 | 25.8 | 0 | 0 | 0 | 111.3 | D1940 Q1941 Y1942 L1946 L1947 R1948 | D1940-D1944 WeakPolarHBondContact O-CB 3.41Å; D1940-D1944 PolarHBondContact O-N 3.24Å; Q1941-D1944 PolarHBondContact O-N 2.93Å; Y1942-D1944 VanDerWaalsContact C-N 3.35Å; D1944-L1946 PolarHBondContact O-N 3.28Å; D1944-L1947 PolarHBondContact O-N 3.17Å; D1944-R1948 VanDerWaalsContact O-CB 3.28Å; D1944-R1948 WeakPolarHBondContact O-CB 3.39Å; D1944-R1948 PolarHBondContact O-N 3.18Å |
| 1945 | L | 79.4 | Confident | 76 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 173.9 | -70.6 | 172.5 | 0 | 0 | 0 | 112.1 | R1890 L1891 Q1941 Y1942 I1943 R1948 D1949 | R1890-L1945 HydrophobicContact CG-CD1 4.48Å; L1891-L1945 HydrophobicContact CD1-CB 3.88Å; Q1941-L1945 HydrophobicContact CG-CD1 4.42Å; Q1941-L1945 VanDerWaalsContact O-CG 3.32Å; Q1941-L1945 WeakPolarHBondContact O-CG 3.35Å; Q1941-L1945 PolarHBondContact O-N 3.23Å; Q1941-L1945 VanDerWaalsContact O-N 3.13Å; Y1942-L1945 PolarHBondContact O-N 3.15Å; I1943-L1945 VanDerWaalsContact C-N 3.3Å; I1943-L1945 PolarHBondContact O-N 3.1Å; L1945-R1948 PolarHBondContact O-N 3.21Å; L1945-D1949 WeakPolarHBondContact O-CB 3.31Å; L1945-D1949 PolarHBondContact O-N 3.09Å |
| 1946 | L | 78.7 | Confident | 74.8 | Confident | 3.4 Ų | 3.4 | 49.5 Ų | 49.5 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -46 | 179.8 | -176.9 | 104.9 | 0 | 0 | 0 | 111.4 | F1817 I1826 T1875 L1891 Y1942 I1943 D1944 D1949 A1950 | F1817-L1946 HydrophobicContact CE1-CD2 4.4Å; F1817-L1946 HydrophobicContact CZ-CD2 3.95Å; F1817-L1946 HydrophobicContact CZ-CG 4.38Å; I1826-L1946 HydrophobicContact CD1-CD2 4.28Å; I1826-L1946 HydrophobicContact CG2-CD2 4.36Å; T1875-L1946 HydrophobicContact CG2-CD1 3.8Å; T1875-L1946 HydrophobicContact CG2-CD2 3.99Å; L1891-L1946 HydrophobicContact CD1-CB 4.1Å; L1891-L1946 HydrophobicContact CD1-CD1 4.32Å; L1891-L1946 HydrophobicContact CD2-CD1 3.95Å; Y1942-L1946 HydrophobicContact CE1-CB 4.48Å; Y1942-L1946 HydrophobicContact CE1-CD1 3.86Å; Y1942-L1946 HydrophobicContact CE1-CD2 4.08Å; Y1942-L1946 VanDerWaalsContact O-CB 3.24Å; Y1942-L1946 WeakPolarHBondContact O-CB 3.3Å; Y1942-L1946 PolarHBondContact O-N 3.2Å; Y1942-L1946 WeakPolarHBondContact OH-CD1 3.46Å; I1943-L1946 HydrophobicContact CD1-CD2 4.41Å; I1943-L1946 CarbonylContact O-C 3.36Å; I1943-L1946 PolarHBondContact O-N 3.06Å; D1944-L1946 PolarHBondContact O-N 3.28Å; L1946-D1949 PolarHBondContact O-N 3.14Å; L1946-A1950 HydrophobicContact CD1-CB 4.41Å; L1946-A1950 HydrophobicContact CD2-CB 4.06Å; L1946-A1950 HydrophobicContact CG-CB 4.42Å; L1946-A1950 WeakPolarHBondContact O-CA 3.41Å; L1946-A1950 WeakPolarHBondContact O-CB 3.26Å; L1946-A1950 PolarHBondContact O-N 3.17Å |
| 1947 | L | 72.8 | Confident | 73.6 | Confident | 53.2 Ų | 53.2 | 48 Ų | 48 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 179.2 | -70 | 174.8 | 0 | 0 | 0 | 111 | F1817 L1823 I1943 D1944 D1949 A1950 A1951 | F1817-L1947 HydrophobicContact CE2-CD2 4.32Å; L1823-L1947 HydrophobicContact CD1-CD2 3.96Å; I1943-L1947 HydrophobicContact CG2-CD1 3.58Å; I1943-L1947 VanDerWaalsContact CG2-CD1 3.44Å; I1943-L1947 HydrophobicContact CG2-CG 4.02Å; I1943-L1947 VanDerWaalsContact O-CB 3.28Å; I1943-L1947 WeakPolarHBondContact O-CB 3.3Å; I1943-L1947 VanDerWaalsContact O-CG 3.28Å; I1943-L1947 WeakPolarHBondContact O-CG 3.38Å; I1943-L1947 PolarHBondContact O-N 3.05Å; D1944-L1947 PolarHBondContact O-N 3.17Å; L1947-D1949 VanDerWaalsContact C-N 3.31Å; L1947-D1949 PolarHBondContact O-N 3.25Å; L1947-A1950 PolarHBondContact O-N 2.84Å; L1947-A1951 HydrophobicContact CB-CB 3.99Å; L1947-A1951 HydrophobicContact CD2-CB 3.8Å; L1947-A1951 HydrophobicContact CG-CB 4.35Å; L1947-A1951 VanDerWaalsContact O-CA 3.3Å; L1947-A1951 WeakPolarHBondContact O-CA 3.37Å; L1947-A1951 WeakPolarHBondContact O-CB 3.46Å; L1947-A1951 PolarHBondContact O-N 3.12Å |
| 1948 | R | 68.8 | Low | 72.7 | Confident | 156 Ų | 156 | 44.7 Ų | 44.7 | 59% | 0.589 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62 | -36.1 | 175.6 | -167.2 | -176.8 | 89 | -174.4 | 0.3 | 112.7 | H1813 D1944 L1945 | H1813-R1948 PolarHBondContact NE2-O 3.24Å; D1944-R1948 VanDerWaalsContact O-CB 3.28Å; D1944-R1948 WeakPolarHBondContact O-CB 3.39Å; D1944-R1948 PolarHBondContact O-N 3.18Å; L1945-R1948 PolarHBondContact O-N 3.21Å |
| 1949 | D | 63.9 | Low | 71.6 | Confident | 22.2 Ų | 22.2 | 50.8 Ų | 50.8 | 12% | 0.119 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -93.6 | -22.2 | -178.1 | -83.7 | 8.4 | 0 | 0 | 0 | 113.3 | H1813 R1816 I1882 R1890 L1891 L1945 L1946 L1947 | H1813-D1949 PolarHBondContact CD2-O 2.92Å; R1816-D1949 IonicContact CZ-OD1 3.05Å; R1816-D1949 PolarHBondContact NE-O 3.46Å; R1816-D1949 VanDerWaalsContact NH1-CG 3.32Å; R1816-D1949 PolarHBondContact NH1-O 3.43Å; R1816-D1949 IonicContact NH1-OD1 3.34Å; R1816-D1949 PolarHBondContact NH1-OD1 3.45Å; R1816-D1949 IonicContact NH1-OD2 3.94Å; R1816-D1949 PolarHBondContact NH1-OD2 3.48Å; R1816-D1949 IonicContact NH2-OD1 3.98Å; R1816-D1949 PolarHBondContact NH2-OD1 3.27Å; I1882-D1949 WeakPolarHBondContact CD1-OD2 3.25Å; R1890-D1949 IonicContact NH2-OD2 3.82Å; L1891-D1949 HydrophobicContact CD1-CB 4.04Å; L1891-D1949 WeakPolarHBondContact CD1-OD2 3.47Å; L1945-D1949 WeakPolarHBondContact O-CB 3.31Å; L1945-D1949 PolarHBondContact O-N 3.09Å; L1946-D1949 PolarHBondContact O-N 3.14Å; L1947-D1949 VanDerWaalsContact C-N 3.31Å; L1947-D1949 PolarHBondContact O-N 3.25Å |
| 1950 | A | 59.9 | Low | 70.7 | Confident | 7.4 Ų | 7.4 | 56.4 Ų | 56.4 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -119.3 | -21.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1815 R1816 F1817 L1946 L1947 G1952 | T1815-A1950 CarbonylContact C-O 3.57Å; T1815-A1950 WeakPolarHBondContact CA-O 3.33Å; R1816-A1950 HydrophobicContact CB-CB 4.3Å; R1816-A1950 HydrophobicContact CG-CB 4.5Å; R1816-A1950 PolarHBondContact N-O 3.29Å; R1816-A1950 VanDerWaalsContact N-O 3.1Å; F1817-A1950 HydrophobicContact CE1-CB 4.37Å; F1817-A1950 HydrophobicContact CE2-CB 3.82Å; F1817-A1950 WeakPolarHBondContact CE2-O 3.37Å; F1817-A1950 HydrophobicContact CZ-CB 3.69Å; L1946-A1950 HydrophobicContact CD1-CB 4.41Å; L1946-A1950 HydrophobicContact CD2-CB 4.06Å; L1946-A1950 HydrophobicContact CG-CB 4.42Å; L1946-A1950 WeakPolarHBondContact O-CA 3.41Å; L1946-A1950 WeakPolarHBondContact O-CB 3.26Å; L1946-A1950 PolarHBondContact O-N 3.17Å; L1947-A1950 PolarHBondContact O-N 2.84Å; A1950-G1952 PolarHBondContact O-N 3.4Å; A1950-G1952 VanDerWaalsContact O-N 3.15Å |
| 1951 | A | 55 | Low | 70.1 | Confident | 35.2 Ų | 35.2 | 54 Ų | 54 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -77.7 | 105.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | H1813 T1815 F1817 L1947 S1953 | H1813-A1951 PolarHBondContact CE1-O 3.13Å; H1813-A1951 PolarHBondContact NE2-O 3.32Å; T1815-A1951 WeakPolarHBondContact CG2-O 3.41Å; F1817-A1951 HydrophobicContact CE2-CB 4.27Å; L1947-A1951 HydrophobicContact CB-CB 3.99Å; L1947-A1951 HydrophobicContact CD2-CB 3.8Å; L1947-A1951 HydrophobicContact CG-CB 4.35Å; L1947-A1951 VanDerWaalsContact O-CA 3.3Å; L1947-A1951 WeakPolarHBondContact O-CA 3.37Å; L1947-A1951 WeakPolarHBondContact O-CB 3.46Å; L1947-A1951 PolarHBondContact O-N 3.12Å; A1951-S1953 PolarHBondContact O-N 3.33Å |
| 1952 | G | 55.4 | Low | 69.6 | Low | 22.6 Ų | 22.6 | 52.4 Ų | 52.4 | 23% | 0.233 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -45.6 | 128.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H1813 T1815 A1950 | H1813-G1952 VanDerWaalsContact CE1-C 3.45Å; H1813-G1952 VanDerWaalsContact CE1-CA 3.45Å; H1813-G1952 WeakPolarHBondContact CE1-CA 3.29Å; H1813-G1952 WeakPolarHBondContact ND1-CA 3.3Å; H1813-G1952 CarbonylContact O-C 3.57Å; H1813-G1952 VanDerWaalsContact O-C 3.27Å; H1813-G1952 WeakPolarHBondContact O-CA 3.33Å; T1815-G1952 VanDerWaalsContact CG2-N 3.28Å; A1950-G1952 PolarHBondContact O-N 3.4Å; A1950-G1952 VanDerWaalsContact O-N 3.15Å |
| 1953 | S | 58.1 | Low | 69.2 | Low | 47.2 Ų | 47.2 | 59.8 Ų | 59.8 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 133.5 | 173 | 74.7 | 0 | 0 | 0 | 0 | 108.8 | G1812 H1813 A1951 A1955 | G1812-S1953 CarbonylContact C-O 3.54Å; G1812-S1953 WeakPolarHBondContact CA-O 3.32Å; H1813-S1953 VanDerWaalsContact CE1-CB 3.45Å; H1813-S1953 WeakPolarHBondContact CE1-CB 3.5Å; H1813-S1953 PolarHBondContact CE1-N 3.17Å; H1813-S1953 VanDerWaalsContact CE1-N 3.31Å; H1813-S1953 PolarHBondContact CE1-OG 2.81Å; H1813-S1953 VanDerWaalsContact CE1-OG 3.27Å; H1813-S1953 PolarHBondContact N-O 3.27Å; H1813-S1953 VanDerWaalsContact N-O 3.12Å; H1813-S1953 PolarHBondContact ND1-N 3.2Å; H1813-S1953 VanDerWaalsContact ND1-N 3.13Å; H1813-S1953 PolarHBondContact ND1-OG 3.12Å; H1813-S1953 PolarHBondContact NE2-OG 3.39Å; H1813-S1953 PolarHBondContact O-N 3.11Å; H1813-S1953 VanDerWaalsContact O-N 3.1Å; A1951-S1953 PolarHBondContact O-N 3.33Å; S1953-A1955 PolarHBondContact O-N 3.42Å |
| 1954 | P | 58.1 | Low | 69 | Low | 69.6 Ų | 69.6 | 62.8 Ų | 62.8 | 45% | 0.452 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 147.7 | 169.8 | 26.6 | -32.6 | 0 | 0 | 0 | 109.9 | L1736 L1737 H1956 | L1736-P1954 HydrophobicContact CB-CB 4.39Å; L1737-P1954 HydrophobicContact CD1-CB 4.34Å; L1737-P1954 HydrophobicContact CG-CB 4.48Å; P1954-H1956 PolarHBondContact O-CD2 3.32Å; P1954-H1956 PolarHBondContact O-N 3.38Å; P1954-H1956 PolarHBondContact O-ND1 3.35Å |
| 1955 | A | 63.5 | Low | 69.2 | Low | 10 Ų | 10 | 57.5 Ų | 57.5 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 129.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L1736 Y1800 R1810 S1953 L1957 | L1736-A1955 WeakPolarHBondContact O-CB 3.24Å; L1736-A1955 PolarHBondContact O-N 3.13Å; Y1800-A1955 HydrophobicContact CE2-CB 3.75Å; Y1800-A1955 WeakPolarHBondContact OH-CB 3.32Å; R1810-A1955 CarbonylContact O-C 3.53Å; R1810-A1955 VanDerWaalsContact O-CA 3.26Å; R1810-A1955 WeakPolarHBondContact O-CA 3.4Å; R1810-A1955 WeakPolarHBondContact O-CB 3.36Å; S1953-A1955 PolarHBondContact O-N 3.42Å; A1955-L1957 HydrophobicContact CB-CD1 3.85Å; A1955-L1957 HydrophobicContact CB-CD2 3.84Å; A1955-L1957 HydrophobicContact CB-CG 4Å; A1955-L1957 WeakPolarHBondContact O-CD1 3.31Å; A1955-L1957 PolarHBondContact O-N 2.99Å |
| 1956 | H | 65.4 | Low | 69.4 | Low | 124 Ų | 124 | 58.6 Ų | 58.6 | 57% | 0.574 | 30% | 0.303 | S | S | * | . | B | Isolated β-bridge | trans | -87.5 | 102.9 | 169.4 | -67.8 | -43.7 | 0 | 0 | 0 | 106.7 | S1809 R1810 P1954 | S1809-H1956 CarbonylContact C-O 3.42Å; S1809-H1956 WeakPolarHBondContact CA-O 3.35Å; S1809-H1956 VanDerWaalsContact CB-O 3.23Å; S1809-H1956 WeakPolarHBondContact CB-O 3.41Å; R1810-H1956 HydrophobicContact CB-CB 4.39Å; R1810-H1956 PolarHBondContact N-O 3.12Å; R1810-H1956 PolarHBondContact O-N 3.06Å; R1810-H1956 VanDerWaalsContact O-N 3.13Å; P1954-H1956 PolarHBondContact O-CD2 3.32Å; P1954-H1956 PolarHBondContact O-N 3.38Å; P1954-H1956 PolarHBondContact O-ND1 3.35Å |
| 1957 | L | 67.4 | Low | 69.7 | Low | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | trans | -96 | 132.5 | -179.4 | -71.3 | 167.8 | 0 | 0 | 0 | 110 | I1735 L1736 Y1800 A1803 A1804 S1809 A1955 T1961 Y1962 Q1965 | I1735-L1957 WeakPolarHBondContact O-CD1 3.37Å; I1735-L1957 WeakPolarHBondContact O-CD2 3.28Å; L1736-L1957 HydrophobicContact CD2-CB 4.31Å; L1736-L1957 HydrophobicContact CD2-CD1 3.86Å; L1736-L1957 HydrophobicContact CD2-CG 3.96Å; Y1800-L1957 HydrophobicContact CD2-CD1 4.26Å; Y1800-L1957 HydrophobicContact CD2-CD2 4.19Å; Y1800-L1957 HydrophobicContact CE2-CD1 3.89Å; Y1800-L1957 HydrophobicContact CE2-CD2 4.4Å; A1803-L1957 HydrophobicContact CB-CD1 3.8Å; A1803-L1957 HydrophobicContact CB-CD2 3.72Å; A1803-L1957 VanDerWaalsContact CB-CD2 3.48Å; A1803-L1957 HydrophobicContact CB-CG 4.39Å; A1803-L1957 WeakPolarHBondContact O-CD2 3.3Å; A1804-L1957 HydrophobicContact CB-CD2 4.42Å; S1809-L1957 WeakPolarHBondContact OG-CD2 3.47Å; A1955-L1957 HydrophobicContact CB-CD1 3.85Å; A1955-L1957 HydrophobicContact CB-CD2 3.84Å; A1955-L1957 HydrophobicContact CB-CG 4Å; A1955-L1957 WeakPolarHBondContact O-CD1 3.31Å; A1955-L1957 PolarHBondContact O-N 2.99Å; L1957-T1961 WeakPolarHBondContact CB-OG1 3.43Å; L1957-Y1962 HydrophobicContact CB-CE1 4.06Å; L1957-Y1962 HydrophobicContact CD1-CE1 4.23Å; L1957-Q1965 VanDerWaalsContact CD1-NE2 3.27Å | ||
| 1958 | A | 70.8 | Confident | 70.4 | Confident | 18.6 Ų | 18.6 | 59.1 Ų | 59.1 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | trans | -74.3 | 152.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1808 S1809 E1960 T1961 | A1808-A1958 HydrophobicContact CB-CB 3.61Å; S1809-A1958 PolarHBondContact OG-N 3.25Å; S1809-A1958 VanDerWaalsContact OG-N 3.14Å; A1958-E1960 VanDerWaalsContact C-N 3.26Å; A1958-E1960 VanDerWaalsContact CB-OE2 3.29Å; A1958-E1960 WeakPolarHBondContact CB-OE2 3.45Å; A1958-E1960 PolarHBondContact O-N 3.01Å; A1958-T1961 HydrophobicContact CB-CG2 4.22Å; A1958-T1961 VanDerWaalsContact O-CB 3.3Å; A1958-T1961 WeakPolarHBondContact O-CB 3.37Å; A1958-T1961 WeakPolarHBondContact O-CG2 3.37Å; A1958-T1961 PolarHBondContact O-N 3.29Å; A1958-T1961 PolarHBondContact O-OG1 3.24Å | ||
| 1959 | E | 68.7 | Low | 71.3 | Confident | 150.2 Ų | 150.2 | 51.9 Ų | 51.9 | 70% | 0.702 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -36.2 | -175.8 | -170.3 | 169.6 | -171.9 | 0 | 0 | 112.7 | T1961 Y1962 | E1959-T1961 PolarHBondContact O-N 3.22Å; E1959-T1961 VanDerWaalsContact O-N 3.1Å; E1959-Y1962 HydrophobicContact CB-CD2 4.4Å; E1959-Y1962 HydrophobicContact CB-CE2 4.24Å; E1959-Y1962 HydrophobicContact CG-CD2 4.09Å; E1959-Y1962 HydrophobicContact CG-CE2 4.13Å; E1959-Y1962 WeakPolarHBondContact O-CB 3.31Å; E1959-Y1962 VanDerWaalsContact O-CD2 3.25Å; E1959-Y1962 WeakPolarHBondContact O-CD2 3.3Å; E1959-Y1962 PolarHBondContact O-N 3.13Å; E1959-Y1962 VanDerWaalsContact O-N 3.13Å |
| 1960 | E | 72.2 | Confident | 72.3 | Confident | 119.8 Ų | 119.8 | 56.7 Ų | 56.7 | 56% | 0.56 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.4 | -21.9 | 175.6 | -56.9 | 135.2 | 158.5 | 0 | 0 | 112.8 | H1806 A1958 Y1962 E1963 | H1806-E1960 IonicContact CE1-OE2 3.04Å; H1806-E1960 PolarHBondContact CE1-OE2 3.03Å; H1806-E1960 IonicContact NE2-OE2 3.94Å; A1958-E1960 VanDerWaalsContact C-N 3.26Å; A1958-E1960 VanDerWaalsContact CB-OE2 3.29Å; A1958-E1960 WeakPolarHBondContact CB-OE2 3.45Å; A1958-E1960 PolarHBondContact O-N 3.01Å; E1960-Y1962 VanDerWaalsContact C-N 3.32Å; E1960-Y1962 PolarHBondContact O-N 2.93Å; E1960-E1963 PolarHBondContact O-N 2.84Å |
| 1961 | T | 74 | Confident | 73.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -77.8 | -19.2 | -179.7 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | H1806 S1809 L1957 A1958 E1959 E1963 L1964 Q1965 | H1806-T1961 HydrophobicContact CB-CG2 3.31Å; H1806-T1961 VanDerWaalsContact CB-CG2 3.46Å; H1806-T1961 VanDerWaalsContact CG-CG2 3.43Å; H1806-T1961 WeakPolarHBondContact ND1-CG2 3.37Å; S1809-T1961 VanDerWaalsContact OG-CG2 3.27Å; S1809-T1961 WeakPolarHBondContact OG-CG2 3.34Å; L1957-T1961 WeakPolarHBondContact CB-OG1 3.43Å; A1958-T1961 HydrophobicContact CB-CG2 4.22Å; A1958-T1961 VanDerWaalsContact O-CB 3.3Å; A1958-T1961 WeakPolarHBondContact O-CB 3.37Å; A1958-T1961 WeakPolarHBondContact O-CG2 3.37Å; A1958-T1961 PolarHBondContact O-N 3.29Å; A1958-T1961 PolarHBondContact O-OG1 3.24Å; E1959-T1961 PolarHBondContact O-N 3.22Å; E1959-T1961 VanDerWaalsContact O-N 3.1Å; T1961-E1963 VanDerWaalsContact C-N 3.29Å; T1961-E1963 PolarHBondContact O-N 3.26Å; T1961-L1964 WeakPolarHBondContact O-CB 3.33Å; T1961-L1964 PolarHBondContact O-N 3.18Å; T1961-L1964 VanDerWaalsContact O-N 3.13Å; T1961-Q1965 WeakPolarHBondContact O-CG 3.49Å; T1961-Q1965 PolarHBondContact O-N 3.08Å; T1961-Q1965 VanDerWaalsContact O-N 3.17Å |
| 1962 | Y | 77.6 | Confident | 75.1 | Confident | 76.2 Ų | 76.2 | 55.9 Ų | 55.9 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 176.2 | -55.3 | -38.2 | 0 | 0 | 0 | 110.6 | P1734 L1736 L1957 E1959 E1960 L1964 Q1965 V1966 | P1734-Y1962 HydrophobicContact CB-CD1 3.15Å; P1734-Y1962 HydrophobicContact CB-CD2 4.3Å; P1734-Y1962 HydrophobicContact CB-CE1 3.3Å; P1734-Y1962 HydrophobicContact CB-CE2 4.38Å; P1734-Y1962 HydrophobicContact CB-CG 3.92Å; P1734-Y1962 HydrophobicContact CG-CD1 4Å; P1734-Y1962 HydrophobicContact CG-CD2 4.39Å; P1734-Y1962 HydrophobicContact CG-CE1 3.83Å; P1734-Y1962 HydrophobicContact CG-CE2 4.31Å; P1734-Y1962 HydrophobicContact CG-CG 4.2Å; L1736-Y1962 HydrophobicContact CD2-CE1 3.99Å; L1736-Y1962 WeakPolarHBondContact CD2-OH 3.22Å; L1957-Y1962 HydrophobicContact CB-CE1 4.06Å; L1957-Y1962 HydrophobicContact CD1-CE1 4.23Å; E1959-Y1962 HydrophobicContact CB-CD2 4.4Å; E1959-Y1962 HydrophobicContact CB-CE2 4.24Å; E1959-Y1962 HydrophobicContact CG-CD2 4.09Å; E1959-Y1962 HydrophobicContact CG-CE2 4.13Å; E1959-Y1962 WeakPolarHBondContact O-CB 3.31Å; E1959-Y1962 VanDerWaalsContact O-CD2 3.25Å; E1959-Y1962 WeakPolarHBondContact O-CD2 3.3Å; E1959-Y1962 PolarHBondContact O-N 3.13Å; E1959-Y1962 VanDerWaalsContact O-N 3.13Å; E1960-Y1962 VanDerWaalsContact C-N 3.32Å; E1960-Y1962 PolarHBondContact O-N 2.93Å; Y1962-L1964 VanDerWaalsContact C-N 3.3Å; Y1962-L1964 PolarHBondContact O-N 3.32Å; Y1962-Q1965 PolarHBondContact O-N 3.16Å; Y1962-Q1965 VanDerWaalsContact O-N 3.13Å; Y1962-V1966 WeakPolarHBondContact O-CG2 3.23Å; Y1962-V1966 PolarHBondContact O-N 3.19Å |
| 1963 | E | 79.3 | Confident | 76.5 | Confident | 156.2 Ų | 156.2 | 56 Ų | 56 | 73% | 0.73 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.2 | -33 | 173.7 | -60.3 | -168.5 | 159.4 | 0 | 0 | 112.5 | E1960 T1961 Q1965 V1966 P1967 | E1960-E1963 PolarHBondContact O-N 2.84Å; T1961-E1963 VanDerWaalsContact C-N 3.29Å; T1961-E1963 PolarHBondContact O-N 3.26Å; E1963-Q1965 VanDerWaalsContact C-N 3.31Å; E1963-Q1965 PolarHBondContact O-N 3.31Å; E1963-V1966 PolarHBondContact O-N 3.24Å; E1963-P1967 VanDerWaalsContact O-CD 3.28Å; E1963-P1967 WeakPolarHBondContact O-CD 3.33Å |
| 1964 | L | 80 | Confident | 77.8 | Confident | 78.2 Ų | 78.2 | 56.3 Ų | 56.3 | 41% | 0.409 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.7 | -26 | 176.9 | -62.5 | 176.1 | 0 | 0 | 0 | 112.9 | I1802 H1806 T1961 Y1962 | I1802-L1964 HydrophobicContact CG2-CB 4.06Å; H1806-L1964 HydrophobicContact CB-CD1 4.39Å; H1806-L1964 VanDerWaalsContact CD2-CD1 3.45Å; H1806-L1964 WeakPolarHBondContact CD2-CD1 3.34Å; T1961-L1964 WeakPolarHBondContact O-CB 3.33Å; T1961-L1964 PolarHBondContact O-N 3.18Å; T1961-L1964 VanDerWaalsContact O-N 3.13Å; Y1962-L1964 VanDerWaalsContact C-N 3.3Å; Y1962-L1964 PolarHBondContact O-N 3.32Å |
| 1965 | Q | 84.6 | Confident | 79.3 | Confident | 1.8 Ų | 1.8 | 53 Ų | 53 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.2 | -38.3 | 177.2 | -64.3 | -173.2 | 3.9 | 0 | 0 | 112.1 | I1735 A1799 A1803 L1957 T1961 Y1962 E1963 P1967 V1968 L1969 | I1735-Q1965 PolarHBondContact O-NE2 3.21Å; I1735-Q1965 VanDerWaalsContact O-NE2 3.09Å; A1799-Q1965 HydrophobicContact CB-CB 4.17Å; A1799-Q1965 HydrophobicContact CB-CG 4.2Å; A1803-Q1965 HydrophobicContact CB-CG 3.88Å; A1803-Q1965 VanDerWaalsContact CB-NE2 3.25Å; L1957-Q1965 VanDerWaalsContact CD1-NE2 3.27Å; T1961-Q1965 WeakPolarHBondContact O-CG 3.49Å; T1961-Q1965 PolarHBondContact O-N 3.08Å; T1961-Q1965 VanDerWaalsContact O-N 3.17Å; Y1962-Q1965 PolarHBondContact O-N 3.16Å; Y1962-Q1965 VanDerWaalsContact O-N 3.13Å; E1963-Q1965 VanDerWaalsContact C-N 3.31Å; E1963-Q1965 PolarHBondContact O-N 3.31Å; Q1965-P1967 VanDerWaalsContact C-CD 3.48Å; Q1965-V1968 PolarHBondContact O-N 3.09Å; Q1965-V1968 VanDerWaalsContact O-N 3.1Å; Q1965-L1969 HydrophobicContact CB-CD1 3.98Å; Q1965-L1969 HydrophobicContact CB-CG 4.4Å; Q1965-L1969 WeakPolarHBondContact O-CG 3.37Å; Q1965-L1969 PolarHBondContact O-N 3.26Å; Q1965-L1969 VanDerWaalsContact O-N 3.09Å |
| 1966 | V | 83.7 | Confident | 80.4 | Confident | 59.6 Ų | 59.6 | 52.6 Ų | 52.6 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -51.3 | -45.7 | -170.4 | 171.3 | 0 | 0 | 0 | 0 | 114.2 | F1732 Y1962 E1963 V1968 L1969 K1970 | F1732-V1966 HydrophobicContact CB-CG2 4.45Å; F1732-V1966 HydrophobicContact CD2-CG1 4.25Å; F1732-V1966 HydrophobicContact CD2-CG2 4.33Å; F1732-V1966 HydrophobicContact CE2-CG1 4.37Å; Y1962-V1966 WeakPolarHBondContact O-CG2 3.23Å; Y1962-V1966 PolarHBondContact O-N 3.19Å; E1963-V1966 PolarHBondContact O-N 3.24Å; V1966-V1968 VanDerWaalsContact C-N 3.33Å; V1966-V1968 PolarHBondContact O-N 3.37Å; V1966-L1969 PolarHBondContact O-N 3.33Å; V1966-K1970 VanDerWaalsContact O-CB 3.26Å; V1966-K1970 WeakPolarHBondContact O-CB 3.42Å; V1966-K1970 PolarHBondContact O-N 3.06Å |
| 1967 | P | 85.3 | Confident | 81.5 | Confident | 64.6 Ų | 64.6 | 50.6 Ų | 50.6 | 42% | 0.419 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | -179.9 | -24.8 | 34.4 | 0 | 0 | 0 | 113.1 | E1963 Q1965 K1970 C1971 T2039 | E1963-P1967 VanDerWaalsContact O-CD 3.28Å; E1963-P1967 WeakPolarHBondContact O-CD 3.33Å; Q1965-P1967 VanDerWaalsContact C-CD 3.48Å; P1967-K1970 PolarHBondContact O-N 2.96Å; P1967-C1971 PolarHBondContact O-N 3.23Å; P1967-C1971 VanDerWaalsContact O-N 3.08Å; P1967-C1971 PolarHBondContact O-SG 3.07Å; P1967-C1971 VanDerWaalsContact O-SG 3.37Å; P1967-T2039 HydrophobicContact CB-CG2 3.98Å |
| 1968 | V | 87.7 | Confident | 82.4 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.4 | -44 | -179.3 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | T1795 A1798 A1799 I1802 Q1965 V1966 K1970 C1971 G1972 L2036 T2039 L2040 | T1795-V1968 HydrophobicContact CG2-CG1 3.6Å; T1795-V1968 WeakPolarHBondContact CG2-O 3.47Å; A1798-V1968 HydrophobicContact CB-CG1 4.43Å; A1799-V1968 HydrophobicContact CB-CB 4.43Å; A1799-V1968 HydrophobicContact CB-CG1 4.28Å; I1802-V1968 HydrophobicContact CD1-CG2 3.72Å; Q1965-V1968 PolarHBondContact O-N 3.09Å; Q1965-V1968 VanDerWaalsContact O-N 3.1Å; V1966-V1968 VanDerWaalsContact C-N 3.33Å; V1966-V1968 PolarHBondContact O-N 3.37Å; V1968-K1970 VanDerWaalsContact C-N 3.34Å; V1968-K1970 PolarHBondContact O-N 3.1Å; V1968-C1971 PolarHBondContact O-N 3.34Å; V1968-G1972 PolarHBondContact O-N 3.1Å; V1968-L2036 HydrophobicContact CG1-CD1 4.42Å; V1968-T2039 HydrophobicContact CG2-CG2 4.08Å; V1968-L2040 HydrophobicContact CG1-CD2 3.85Å; V1968-L2040 HydrophobicContact CG2-CD2 4.1Å |
| 1969 | L | 85.9 | Confident | 83.3 | Confident | 4.6 Ų | 4.6 | 49.8 Ų | 49.8 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 177.7 | -60.6 | 178.7 | 0 | 0 | 0 | 112.3 | F1732 I1735 T1795 Y1796 A1799 Q1965 V1966 G1972 Q1973 | F1732-L1969 HydrophobicContact CB-CD1 4.15Å; F1732-L1969 HydrophobicContact CD1-CB 3.61Å; F1732-L1969 VanDerWaalsContact CD1-CB 3.49Å; F1732-L1969 HydrophobicContact CD1-CD1 3.94Å; F1732-L1969 HydrophobicContact CD1-CG 4.36Å; F1732-L1969 HydrophobicContact CE1-CB 3.54Å; F1732-L1969 VanDerWaalsContact CE1-CB 3.44Å; F1732-L1969 HydrophobicContact CE1-CD1 4.43Å; F1732-L1969 HydrophobicContact CE1-CG 4.48Å; F1732-L1969 HydrophobicContact CE2-CB 4.44Å; F1732-L1969 HydrophobicContact CG-CB 4.29Å; F1732-L1969 HydrophobicContact CG-CD1 4.15Å; F1732-L1969 HydrophobicContact CZ-CB 4.07Å; I1735-L1969 HydrophobicContact CD1-CD1 4.28Å; I1735-L1969 HydrophobicContact CD1-CD2 3.48Å; I1735-L1969 VanDerWaalsContact CD1-CD2 3.45Å; I1735-L1969 HydrophobicContact CD1-CG 4.41Å; T1795-L1969 HydrophobicContact CG2-CD2 4.43Å; Y1796-L1969 HydrophobicContact CD1-CD2 3.34Å; Y1796-L1969 VanDerWaalsContact CD1-CD2 3.42Å; Y1796-L1969 HydrophobicContact CE1-CD2 3.61Å; Y1796-L1969 HydrophobicContact CG-CD2 4.45Å; A1799-L1969 HydrophobicContact CB-CD2 3.83Å; A1799-L1969 HydrophobicContact CB-CG 4.19Å; Q1965-L1969 HydrophobicContact CB-CD1 3.98Å; Q1965-L1969 HydrophobicContact CB-CG 4.4Å; Q1965-L1969 WeakPolarHBondContact O-CG 3.37Å; Q1965-L1969 PolarHBondContact O-N 3.26Å; Q1965-L1969 VanDerWaalsContact O-N 3.09Å; V1966-L1969 PolarHBondContact O-N 3.33Å; L1969-G1972 PolarHBondContact O-N 3.12Å; L1969-Q1973 WeakPolarHBondContact O-CB 3.34Å; L1969-Q1973 PolarHBondContact O-N 3.13Å |
| 1970 | K | 85.4 | Confident | 84.2 | Confident | 124.2 Ų | 124.2 | 43.3 Ų | 43.3 | 54% | 0.54 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 175.8 | -171.3 | 174.2 | -177.8 | 176.1 | 0 | 111.7 | F1732 V1966 P1967 V1968 Q1973 T1974 | F1732-K1970 HydrophobicContact CE2-CB 4.33Å; F1732-K1970 HydrophobicContact CZ-CB 4.12Å; F1732-K1970 HydrophobicContact CZ-CG 4.35Å; V1966-K1970 VanDerWaalsContact O-CB 3.26Å; V1966-K1970 WeakPolarHBondContact O-CB 3.42Å; V1966-K1970 PolarHBondContact O-N 3.06Å; P1967-K1970 PolarHBondContact O-N 2.96Å; V1968-K1970 VanDerWaalsContact C-N 3.34Å; V1968-K1970 PolarHBondContact O-N 3.1Å; K1970-Q1973 PolarHBondContact O-N 3.19Å; K1970-T1974 WeakPolarHBondContact O-CB 3.48Å; K1970-T1974 WeakPolarHBondContact O-CG2 3.4Å; K1970-T1974 PolarHBondContact O-N 3.34Å; K1970-T1974 PolarHBondContact O-OG1 3.15Å |
| 1971 | C | 86.6 | Confident | 84.9 | Confident | 22.6 Ų | 22.6 | 42.5 Ų | 42.5 | 15% | 0.153 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 174.3 | -73.6 | 0 | 0 | 0 | 0 | 112 | P1967 V1968 Q1973 T1974 V1975 L2036 T2039 | P1967-C1971 PolarHBondContact O-N 3.23Å; P1967-C1971 VanDerWaalsContact O-N 3.08Å; P1967-C1971 PolarHBondContact O-SG 3.07Å; P1967-C1971 VanDerWaalsContact O-SG 3.37Å; V1968-C1971 PolarHBondContact O-N 3.34Å; C1971-Q1973 VanDerWaalsContact C-N 3.34Å; C1971-Q1973 PolarHBondContact O-N 3.08Å; C1971-T1974 VanDerWaalsContact CA-OG1 3.31Å; C1971-T1974 WeakPolarHBondContact CA-OG1 3.36Å; C1971-T1974 WeakPolarHBondContact O-CB 3.36Å; C1971-T1974 PolarHBondContact O-N 3.11Å; C1971-T1974 PolarHBondContact O-OG1 2.95Å; C1971-V1975 WeakPolarHBondContact O-CG2 3.35Å; C1971-V1975 PolarHBondContact O-N 3.03Å; C1971-V1975 VanDerWaalsContact O-N 3.1Å; C1971-L2036 HydrophobicContact CB-CB 4.04Å; C1971-L2036 HydrophobicContact CB-CD1 3.55Å; C1971-L2036 HydrophobicContact CB-CG 4.39Å; C1971-T2039 PolarHBondContact SG-OG1 3.22Å; C1971-T2039 VanDerWaalsContact SG-OG1 3.35Å |
| 1972 | G | 86.6 | Confident | 85.6 | Confident | 2.6 Ų | 2.6 | 42.5 Ų | 42.5 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1968 L1969 T1974 V1975 A1976 | V1968-G1972 PolarHBondContact O-N 3.1Å; L1969-G1972 PolarHBondContact O-N 3.12Å; G1972-T1974 VanDerWaalsContact C-N 3.31Å; G1972-T1974 PolarHBondContact O-N 3.38Å; G1972-V1975 PolarHBondContact O-N 3.12Å; G1972-A1976 PolarHBondContact O-N 2.99Å; G1972-A1976 VanDerWaalsContact O-N 3.08Å |
| 1973 | Q | 85.1 | Confident | 86 | Confident | 24 Ų | 24 | 38.9 Ų | 38.9 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 174.3 | -111.3 | -170.3 | 4.9 | 0 | 0 | 112.6 | I1710 F1732 L1969 K1970 C1971 V1975 A1976 K1977 | I1710-Q1973 HydrophobicContact CG2-CG 4.01Å; I1710-Q1973 PolarHBondContact O-NE2 3.11Å; F1732-Q1973 HydrophobicContact CE1-CG 3.96Å; F1732-Q1973 HydrophobicContact CZ-CG 4.23Å; L1969-Q1973 WeakPolarHBondContact O-CB 3.34Å; L1969-Q1973 PolarHBondContact O-N 3.13Å; K1970-Q1973 PolarHBondContact O-N 3.19Å; C1971-Q1973 VanDerWaalsContact C-N 3.34Å; C1971-Q1973 PolarHBondContact O-N 3.08Å; Q1973-V1975 VanDerWaalsContact C-N 3.31Å; Q1973-V1975 PolarHBondContact O-N 3.18Å; Q1973-A1976 PolarHBondContact O-N 2.97Å; Q1973-K1977 WeakPolarHBondContact O-CB 3.45Å; Q1973-K1977 WeakPolarHBondContact O-CG 3.41Å; Q1973-K1977 PolarHBondContact O-N 3.37Å |
| 1974 | T | 86.6 | Confident | 86.3 | Confident | 55 Ų | 55 | 33.7 Ų | 33.7 | 34% | 0.337 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.3 | -42 | 176.6 | 12.6 | 0 | 0 | 0 | 0 | 111.3 | K1970 C1971 G1972 A1976 K1977 C1978 | K1970-T1974 WeakPolarHBondContact O-CB 3.48Å; K1970-T1974 WeakPolarHBondContact O-CG2 3.4Å; K1970-T1974 PolarHBondContact O-N 3.34Å; K1970-T1974 PolarHBondContact O-OG1 3.15Å; C1971-T1974 VanDerWaalsContact CA-OG1 3.31Å; C1971-T1974 WeakPolarHBondContact CA-OG1 3.36Å; C1971-T1974 WeakPolarHBondContact O-CB 3.36Å; C1971-T1974 PolarHBondContact O-N 3.11Å; C1971-T1974 PolarHBondContact O-OG1 2.95Å; G1972-T1974 VanDerWaalsContact C-N 3.31Å; G1972-T1974 PolarHBondContact O-N 3.38Å; T1974-A1976 VanDerWaalsContact C-N 3.33Å; T1974-A1976 PolarHBondContact O-N 3.41Å; T1974-K1977 WeakPolarHBondContact O-CB 3.41Å; T1974-K1977 PolarHBondContact O-N 3.18Å; T1974-K1977 VanDerWaalsContact O-N 3.12Å; T1974-C1978 PolarHBondContact O-N 3.13Å; T1974-C1978 PolarHBondContact O-SG 3.12Å; T1974-C1978 VanDerWaalsContact O-SG 3.33Å |
| 1975 | V | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | F1758 L1791 C1971 G1972 Q1973 K1977 C1978 I1979 L2029 L2036 | F1758-V1975 HydrophobicContact CE2-CG1 4.31Å; L1791-V1975 HydrophobicContact CD2-CB 3.67Å; L1791-V1975 HydrophobicContact CD2-CG1 3.22Å; L1791-V1975 HydrophobicContact CD2-CG2 4.26Å; C1971-V1975 WeakPolarHBondContact O-CG2 3.35Å; C1971-V1975 PolarHBondContact O-N 3.03Å; C1971-V1975 VanDerWaalsContact O-N 3.1Å; G1972-V1975 PolarHBondContact O-N 3.12Å; Q1973-V1975 VanDerWaalsContact C-N 3.31Å; Q1973-V1975 PolarHBondContact O-N 3.18Å; V1975-K1977 VanDerWaalsContact C-N 3.32Å; V1975-K1977 PolarHBondContact O-N 3.22Å; V1975-C1978 WeakPolarHBondContact O-CB 3.44Å; V1975-C1978 PolarHBondContact O-N 3.06Å; V1975-C1978 VanDerWaalsContact O-N 3.15Å; V1975-I1979 HydrophobicContact CG1-CD1 4.2Å; V1975-I1979 WeakPolarHBondContact O-CG1 3.37Å; V1975-I1979 PolarHBondContact O-N 3.34Å; V1975-I1979 VanDerWaalsContact O-N 3.13Å; V1975-L2029 HydrophobicContact CG1-CD1 3.68Å; V1975-L2036 HydrophobicContact CG2-CB 4.48Å; V1975-L2036 HydrophobicContact CG2-CD2 4.45Å |
| 1976 | A | 87 | Confident | 86.7 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1710 T1788 V1792 G1972 Q1973 T1974 I1979 A1980 | I1710-A1976 HydrophobicContact CD1-CB 4.37Å; I1710-A1976 HydrophobicContact CG1-CB 3.79Å; T1788-A1976 HydrophobicContact CG2-CB 4.01Å; V1792-A1976 HydrophobicContact CG2-CB 4.41Å; G1972-A1976 PolarHBondContact O-N 2.99Å; G1972-A1976 VanDerWaalsContact O-N 3.08Å; Q1973-A1976 PolarHBondContact O-N 2.97Å; T1974-A1976 VanDerWaalsContact C-N 3.33Å; T1974-A1976 PolarHBondContact O-N 3.41Å; A1976-I1979 PolarHBondContact O-N 3.09Å; A1976-A1980 PolarHBondContact O-N 3Å |
| 1977 | K | 87.4 | Confident | 86.7 | Confident | 82.2 Ų | 82.2 | 30.9 Ų | 30.9 | 36% | 0.357 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 173.7 | -74.7 | 176.3 | 179.1 | -177.1 | 0 | 112.4 | I1710 Q1973 T1974 V1975 I1979 A1980 N1981 | I1710-K1977 HydrophobicContact CD1-CG 3.98Å; I1710-K1977 HydrophobicContact CG1-CG 4.22Å; I1710-K1977 HydrophobicContact CG2-CD 4.17Å; I1710-K1977 VanDerWaalsContact CG2-CE 3.4Å; I1710-K1977 HydrophobicContact CG2-CG 3.65Å; I1710-K1977 VanDerWaalsContact CG2-CG 3.49Å; Q1973-K1977 WeakPolarHBondContact O-CB 3.45Å; Q1973-K1977 WeakPolarHBondContact O-CG 3.41Å; Q1973-K1977 PolarHBondContact O-N 3.37Å; T1974-K1977 WeakPolarHBondContact O-CB 3.41Å; T1974-K1977 PolarHBondContact O-N 3.18Å; T1974-K1977 VanDerWaalsContact O-N 3.12Å; V1975-K1977 VanDerWaalsContact C-N 3.32Å; V1975-K1977 PolarHBondContact O-N 3.22Å; K1977-I1979 VanDerWaalsContact C-N 3.26Å; K1977-I1979 PolarHBondContact O-N 3.06Å; K1977-A1980 PolarHBondContact O-N 3.27Å; K1977-N1981 VanDerWaalsContact O-CG 3.29Å; K1977-N1981 PolarHBondContact O-N 3.26Å; K1977-N1981 PolarHBondContact O-OD1 2.91Å |
| 1978 | C | 88.1 | Confident | 86.6 | Confident | 20.4 Ų | 20.4 | 31.5 Ų | 31.5 | 14% | 0.138 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -38 | 174.8 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | T1974 V1975 N1981 L1982 L2029 S2032 | T1974-C1978 PolarHBondContact O-N 3.13Å; T1974-C1978 PolarHBondContact O-SG 3.12Å; T1974-C1978 VanDerWaalsContact O-SG 3.33Å; V1975-C1978 WeakPolarHBondContact O-CB 3.44Å; V1975-C1978 PolarHBondContact O-N 3.06Å; V1975-C1978 VanDerWaalsContact O-N 3.15Å; C1978-N1981 PolarHBondContact O-N 3.23Å; C1978-L1982 WeakPolarHBondContact O-CB 3.46Å; C1978-L1982 WeakPolarHBondContact O-CG 3.39Å; C1978-L1982 PolarHBondContact O-N 3.07Å; C1978-L2029 HydrophobicContact CB-CB 4.29Å; C1978-L2029 HydrophobicContact CB-CD1 3.77Å; C1978-S2032 PolarHBondContact SG-OG 3.23Å; C1978-S2032 VanDerWaalsContact SG-OG 3.37Å |
| 1979 | I | 88.3 | Confident | 86.3 | Confident | 0.8 Ų | 0.8 | 32.2 Ų | 32.2 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -71.1 | -41.1 | 177.7 | -61.7 | 169.8 | 0 | 0 | 0 | 111.4 | L1706 F1758 L1784 T1788 V1975 A1976 K1977 N1981 L1982 I1983 L2029 | L1706-I1979 HydrophobicContact CD1-CB 4.39Å; L1706-I1979 HydrophobicContact CD1-CG2 3.93Å; F1758-I1979 HydrophobicContact CD1-CD1 4.11Å; F1758-I1979 HydrophobicContact CE1-CD1 3.33Å; F1758-I1979 VanDerWaalsContact CE1-CD1 3.4Å; F1758-I1979 HydrophobicContact CE1-CG1 4.42Å; F1758-I1979 HydrophobicContact CE2-CD1 3.97Å; F1758-I1979 HydrophobicContact CZ-CD1 3.26Å; L1784-I1979 HydrophobicContact CD1-CD1 4.31Å; L1784-I1979 HydrophobicContact CD1-CG1 4.39Å; L1784-I1979 HydrophobicContact CD1-CG2 3.91Å; L1784-I1979 HydrophobicContact CD2-CG2 3.71Å; L1784-I1979 HydrophobicContact CG-CG2 3.64Å; T1788-I1979 HydrophobicContact CG2-CD1 3.88Å; T1788-I1979 WeakPolarHBondContact OG1-CD1 3.3Å; T1788-I1979 WeakPolarHBondContact OG1-CG2 3.44Å; V1975-I1979 HydrophobicContact CG1-CD1 4.2Å; V1975-I1979 WeakPolarHBondContact O-CG1 3.37Å; V1975-I1979 PolarHBondContact O-N 3.34Å; V1975-I1979 VanDerWaalsContact O-N 3.13Å; A1976-I1979 PolarHBondContact O-N 3.09Å; K1977-I1979 VanDerWaalsContact C-N 3.26Å; K1977-I1979 PolarHBondContact O-N 3.06Å; I1979-N1981 VanDerWaalsContact C-N 3.31Å; I1979-N1981 PolarHBondContact O-N 3.21Å; I1979-L1982 WeakPolarHBondContact O-CB 3.3Å; I1979-L1982 PolarHBondContact O-N 3.26Å; I1979-L1982 VanDerWaalsContact O-N 3.12Å; I1979-I1983 HydrophobicContact CG2-CD1 4.15Å; I1979-I1983 HydrophobicContact CG2-CG1 4.48Å; I1979-I1983 WeakPolarHBondContact O-CG1 3.34Å; I1979-I1983 PolarHBondContact O-N 3.18Å; I1979-L2029 HydrophobicContact CD1-CD1 4.02Å; I1979-L2029 HydrophobicContact CG1-CD1 3.45Å; I1979-L2029 VanDerWaalsContact CG1-CD1 3.49Å; I1979-L2029 HydrophobicContact CG1-CD2 4.2Å; I1979-L2029 HydrophobicContact CG1-CG 4.47Å |
| 1980 | A | 87.7 | Confident | 86.1 | Confident | 13.6 Ų | 13.6 | 32 Ų | 32 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1703 L1706 I1710 A1976 K1977 L1982 I1983 D1984 | L1703-A1980 HydrophobicContact CD2-CB 4.18Å; L1703-A1980 VanDerWaalsContact CD2-O 3.22Å; L1703-A1980 WeakPolarHBondContact CD2-O 3.43Å; L1706-A1980 HydrophobicContact CB-CB 4.5Å; L1706-A1980 HydrophobicContact CD1-CB 4.26Å; I1710-A1980 HydrophobicContact CD1-CB 3.98Å; A1976-A1980 PolarHBondContact O-N 3Å; K1977-A1980 PolarHBondContact O-N 3.27Å; A1980-L1982 VanDerWaalsContact C-N 3.32Å; A1980-L1982 PolarHBondContact O-N 3.13Å; A1980-I1983 PolarHBondContact O-N 3.1Å; A1980-I1983 VanDerWaalsContact O-N 3.1Å; A1980-D1984 PolarHBondContact O-N 3.31Å |
| 1981 | N | 87.6 | Confident | 85.9 | Confident | 103.2 Ų | 103.2 | 28.1 Ų | 28.1 | 55% | 0.552 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -61.1 | -39.5 | 175 | -67.1 | -10.6 | 0 | 0 | 0 | 112.2 | K1977 C1978 I1979 I1983 D1984 C1985 | K1977-N1981 VanDerWaalsContact O-CG 3.29Å; K1977-N1981 PolarHBondContact O-N 3.26Å; K1977-N1981 PolarHBondContact O-OD1 2.91Å; C1978-N1981 PolarHBondContact O-N 3.23Å; I1979-N1981 VanDerWaalsContact C-N 3.31Å; I1979-N1981 PolarHBondContact O-N 3.21Å; N1981-I1983 VanDerWaalsContact C-N 3.31Å; N1981-I1983 PolarHBondContact O-N 3.33Å; N1981-D1984 WeakPolarHBondContact O-CB 3.46Å; N1981-D1984 PolarHBondContact O-N 3.01Å; N1981-C1985 PolarHBondContact O-N 3.04Å; N1981-C1985 PolarHBondContact O-SG 3Å; N1981-C1985 VanDerWaalsContact O-SG 3.37Å |
| 1982 | L | 88.4 | Confident | 85.5 | Confident | 0.8 Ų | 0.8 | 28.5 Ų | 28.5 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -36.7 | 176.1 | -85.4 | 167.7 | 0 | 0 | 0 | 113.2 | L1762 C1978 I1979 A1980 D1984 C1985 S1986 F2022 R2026 L2029 | L1762-L1982 HydrophobicContact CD1-CD1 4.13Å; L1762-L1982 HydrophobicContact CD2-CD1 4.01Å; C1978-L1982 WeakPolarHBondContact O-CB 3.46Å; C1978-L1982 WeakPolarHBondContact O-CG 3.39Å; C1978-L1982 PolarHBondContact O-N 3.07Å; I1979-L1982 WeakPolarHBondContact O-CB 3.3Å; I1979-L1982 PolarHBondContact O-N 3.26Å; I1979-L1982 VanDerWaalsContact O-N 3.12Å; A1980-L1982 VanDerWaalsContact C-N 3.32Å; A1980-L1982 PolarHBondContact O-N 3.13Å; L1982-D1984 VanDerWaalsContact C-N 3.31Å; L1982-C1985 PolarHBondContact O-N 3.08Å; L1982-S1986 WeakPolarHBondContact O-CB 3.36Å; L1982-S1986 PolarHBondContact O-N 3.27Å; L1982-S1986 PolarHBondContact O-OG 3.35Å; L1982-F2022 HydrophobicContact CD2-CD2 3.73Å; L1982-F2022 HydrophobicContact CD2-CE2 3.84Å; L1982-F2022 HydrophobicContact CD2-CG 4.19Å; L1982-F2022 HydrophobicContact CD2-CZ 4.39Å; L1982-F2022 VanDerWaalsContact CD2-O 3.27Å; L1982-F2022 WeakPolarHBondContact CD2-O 3.36Å; L1982-R2026 HydrophobicContact CD2-CB 4.45Å; L1982-L2029 HydrophobicContact CD1-CB 4Å; L1982-L2029 HydrophobicContact CD1-CD2 3.84Å; L1982-L2029 HydrophobicContact CD1-CG 4.42Å |
| 1983 | I | 86.7 | Confident | 85 | Confident | 0.2 Ų | 0.2 | 30 Ų | 30 | 0% | 0.001 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.7 | -36.8 | 175.5 | -66.7 | 174.8 | 0 | 0 | 0 | 110.4 | C1699 L1702 L1703 L1706 V1781 L1784 I1979 A1980 N1981 S1986 R1987 | C1699-I1983 HydrophobicContact CB-CG2 3.88Å; L1702-I1983 HydrophobicContact CB-CD1 4.14Å; L1702-I1983 HydrophobicContact CD1-CD1 4.04Å; L1702-I1983 HydrophobicContact CD2-CD1 3.08Å; L1702-I1983 HydrophobicContact CD2-CG1 4.38Å; L1702-I1983 HydrophobicContact CD2-CG2 4.4Å; L1702-I1983 HydrophobicContact CG-CD1 4.12Å; L1703-I1983 HydrophobicContact CD1-CG2 4.4Å; L1703-I1983 HydrophobicContact CD2-CB 4.02Å; L1703-I1983 HydrophobicContact CD2-CG2 3.99Å; L1703-I1983 HydrophobicContact CG-CB 4.41Å; L1703-I1983 HydrophobicContact CG-CG2 3.86Å; L1706-I1983 HydrophobicContact CD1-CD1 3.7Å; V1781-I1983 HydrophobicContact CG1-CD1 3.93Å; V1781-I1983 HydrophobicContact CG1-CG1 4.06Å; V1781-I1983 HydrophobicContact CG1-CG2 4.13Å; L1784-I1983 HydrophobicContact CD1-CD1 4.47Å; L1784-I1983 HydrophobicContact CD2-CD1 4.33Å; L1784-I1983 HydrophobicContact CD2-CG1 3.96Å; I1979-I1983 HydrophobicContact CG2-CD1 4.15Å; I1979-I1983 HydrophobicContact CG2-CG1 4.48Å; I1979-I1983 WeakPolarHBondContact O-CG1 3.34Å; I1979-I1983 PolarHBondContact O-N 3.18Å; A1980-I1983 PolarHBondContact O-N 3.1Å; A1980-I1983 VanDerWaalsContact O-N 3.1Å; N1981-I1983 VanDerWaalsContact C-N 3.31Å; N1981-I1983 PolarHBondContact O-N 3.33Å; I1983-S1986 VanDerWaalsContact O-CB 3.31Å; I1983-S1986 WeakPolarHBondContact O-CB 3.38Å; I1983-S1986 PolarHBondContact O-N 3.07Å; I1983-S1986 VanDerWaalsContact O-N 3.16Å; I1983-R1987 WeakPolarHBondContact O-CB 3.38Å; I1983-R1987 PolarHBondContact O-N 2.94Å |
| 1984 | D | 85.9 | Confident | 84.6 | Confident | 48.2 Ų | 48.2 | 30 Ų | 30 | 26% | 0.258 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 172 | -151.8 | 29.4 | 0 | 0 | 0 | 112.2 | L1703 A1980 N1981 L1982 S1986 R1987 Q1988 | L1703-D1984 WeakPolarHBondContact CD1-OD1 3.01Å; A1980-D1984 PolarHBondContact O-N 3.31Å; N1981-D1984 WeakPolarHBondContact O-CB 3.46Å; N1981-D1984 PolarHBondContact O-N 3.01Å; L1982-D1984 VanDerWaalsContact C-N 3.31Å; D1984-S1986 VanDerWaalsContact C-N 3.29Å; D1984-S1986 PolarHBondContact O-N 3.21Å; D1984-R1987 WeakPolarHBondContact O-CA 3.28Å; D1984-R1987 VanDerWaalsContact O-CB 3.29Å; D1984-R1987 WeakPolarHBondContact O-CB 3.35Å; D1984-R1987 PolarHBondContact O-N 3.08Å; D1984-R1987 VanDerWaalsContact O-N 3.15Å; D1984-R1987 WeakPolarHBondContact OD1-CD 3.5Å; D1984-R1987 IonicContact OD1-CZ 3.15Å; D1984-R1987 IonicContact OD1-NE 3.36Å; D1984-R1987 PolarHBondContact OD1-NE 2.99Å; D1984-R1987 IonicContact OD1-NH1 2.83Å; D1984-R1987 PolarHBondContact OD1-NH1 2.77Å; D1984-R1987 IonicContact OD1-NH2 3.66Å; D1984-R1987 PolarHBondContact OD1-NH2 3Å; D1984-R1987 IonicContact OD2-NH2 3.06Å; D1984-Q1988 VanDerWaalsContact O-CG 3.31Å; D1984-Q1988 WeakPolarHBondContact O-CG 3.4Å; D1984-Q1988 PolarHBondContact O-N 3.03Å; D1984-Q1988 PolarHBondContact OD2-NE2 3.05Å; D1984-Q1988 VanDerWaalsContact OD2-NE2 3.09Å |
| 1985 | C | 85.6 | Confident | 84 | Confident | 19.2 Ų | 19.2 | 32.4 Ų | 32.4 | 13% | 0.13 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 169.6 | -69.2 | 0 | 0 | 0 | 0 | 111.6 | N1981 L1982 R1987 Q1988 I1989 F2022 | N1981-C1985 PolarHBondContact O-N 3.04Å; N1981-C1985 PolarHBondContact O-SG 3Å; N1981-C1985 VanDerWaalsContact O-SG 3.37Å; L1982-C1985 PolarHBondContact O-N 3.08Å; C1985-R1987 VanDerWaalsContact C-N 3.3Å; C1985-R1987 PolarHBondContact O-N 3.26Å; C1985-Q1988 WeakPolarHBondContact O-CB 3.4Å; C1985-Q1988 PolarHBondContact O-N 3.27Å; C1985-Q1988 VanDerWaalsContact O-N 3.16Å; C1985-I1989 WeakPolarHBondContact O-CG1 3.25Å; C1985-I1989 PolarHBondContact O-N 3.16Å; C1985-F2022 HydrophobicContact CB-CB 4.33Å; C1985-F2022 HydrophobicContact CB-CD2 4.28Å |
| 1986 | S | 85.5 | Confident | 83.1 | Confident | 0.8 Ų | 0.8 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 175.7 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | L1982 I1983 D1984 I1989 I1990 F2022 | L1982-S1986 WeakPolarHBondContact O-CB 3.36Å; L1982-S1986 PolarHBondContact O-N 3.27Å; L1982-S1986 PolarHBondContact O-OG 3.35Å; I1983-S1986 VanDerWaalsContact O-CB 3.31Å; I1983-S1986 WeakPolarHBondContact O-CB 3.38Å; I1983-S1986 PolarHBondContact O-N 3.07Å; I1983-S1986 VanDerWaalsContact O-N 3.16Å; D1984-S1986 VanDerWaalsContact C-N 3.29Å; D1984-S1986 PolarHBondContact O-N 3.21Å; S1986-I1989 PolarHBondContact O-N 3.23Å; S1986-I1990 WeakPolarHBondContact O-CG1 3.25Å; S1986-I1990 PolarHBondContact O-N 3.25Å; S1986-F2022 VanDerWaalsContact OG-CE2 3.3Å; S1986-F2022 WeakPolarHBondContact OG-CE2 3.38Å |
| 1987 | R | 84.4 | Confident | 82.3 | Confident | 60.4 Ų | 60.4 | 34.4 Ų | 34.4 | 23% | 0.228 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 172.9 | -177.7 | 177.1 | 104.1 | -158.5 | 1.2 | 111.7 | R1696 C1699 D1700 I1983 D1984 C1985 I1989 I1990 D1991 | R1696-R1987 HydrophobicContact CG-CG 4.33Å; C1699-R1987 HydrophobicContact CB-CB 4.45Å; D1700-R1987 WeakPolarHBondContact OD1-CD 3.28Å; D1700-R1987 IonicContact OD1-CZ 3.21Å; D1700-R1987 IonicContact OD1-NE 3.35Å; D1700-R1987 IonicContact OD1-NH1 3.58Å; D1700-R1987 PolarHBondContact OD1-NH1 3.02Å; I1983-R1987 WeakPolarHBondContact O-CB 3.38Å; I1983-R1987 PolarHBondContact O-N 2.94Å; D1984-R1987 WeakPolarHBondContact O-CA 3.28Å; D1984-R1987 VanDerWaalsContact O-CB 3.29Å; D1984-R1987 WeakPolarHBondContact O-CB 3.35Å; D1984-R1987 PolarHBondContact O-N 3.08Å; D1984-R1987 VanDerWaalsContact O-N 3.15Å; D1984-R1987 WeakPolarHBondContact OD1-CD 3.5Å; D1984-R1987 IonicContact OD1-CZ 3.15Å; D1984-R1987 IonicContact OD1-NE 3.36Å; D1984-R1987 PolarHBondContact OD1-NE 2.99Å; D1984-R1987 IonicContact OD1-NH1 2.83Å; D1984-R1987 PolarHBondContact OD1-NH1 2.77Å; D1984-R1987 IonicContact OD1-NH2 3.66Å; D1984-R1987 PolarHBondContact OD1-NH2 3Å; D1984-R1987 IonicContact OD2-NH2 3.06Å; C1985-R1987 VanDerWaalsContact C-N 3.3Å; C1985-R1987 PolarHBondContact O-N 3.26Å; R1987-I1989 VanDerWaalsContact C-N 3.33Å; R1987-I1989 PolarHBondContact O-N 3.27Å; R1987-I1990 WeakPolarHBondContact O-CB 3.37Å; R1987-I1990 PolarHBondContact O-N 3.3Å; R1987-D1991 PolarHBondContact O-N 3.3Å; R1987-D1991 VanDerWaalsContact O-N 3.13Å |
| 1988 | Q | 82.8 | Confident | 81.3 | Confident | 76 Ų | 76 | 34.2 Ų | 34.2 | 36% | 0.355 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 174.2 | -66.3 | 171.7 | 24.3 | 0 | 0 | 112.4 | D1984 C1985 D1991 N1992 | D1984-Q1988 VanDerWaalsContact O-CG 3.31Å; D1984-Q1988 WeakPolarHBondContact O-CG 3.4Å; D1984-Q1988 PolarHBondContact O-N 3.03Å; D1984-Q1988 PolarHBondContact OD2-NE2 3.05Å; D1984-Q1988 VanDerWaalsContact OD2-NE2 3.09Å; C1985-Q1988 WeakPolarHBondContact O-CB 3.4Å; C1985-Q1988 PolarHBondContact O-N 3.27Å; C1985-Q1988 VanDerWaalsContact O-N 3.16Å; Q1988-D1991 PolarHBondContact O-N 3.24Å; Q1988-N1992 WeakPolarHBondContact O-CB 3.4Å; Q1988-N1992 VanDerWaalsContact O-CG 3.27Å; Q1988-N1992 PolarHBondContact O-N 3.22Å; Q1988-N1992 PolarHBondContact O-ND2 3.37Å |
| 1989 | I | 82.2 | Confident | 80.2 | Confident | 15.4 Ų | 15.4 | 34.5 Ų | 34.5 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 174.5 | -64.8 | 165.9 | 0 | 0 | 0 | 110.7 | I1769 C1985 S1986 R1987 D1991 N1992 H1993 L2019 F2022 | I1769-I1989 HydrophobicContact CB-CG2 4.48Å; I1769-I1989 HydrophobicContact CD1-CB 4.08Å; I1769-I1989 HydrophobicContact CD1-CG2 3.72Å; I1769-I1989 HydrophobicContact CG2-CG2 4.09Å; C1985-I1989 WeakPolarHBondContact O-CG1 3.25Å; C1985-I1989 PolarHBondContact O-N 3.16Å; S1986-I1989 PolarHBondContact O-N 3.23Å; R1987-I1989 VanDerWaalsContact C-N 3.33Å; R1987-I1989 PolarHBondContact O-N 3.27Å; I1989-D1991 VanDerWaalsContact C-N 3.33Å; I1989-D1991 PolarHBondContact O-N 2.92Å; I1989-N1992 PolarHBondContact O-N 3.15Å; I1989-H1993 VanDerWaalsContact O-CB 3.28Å; I1989-H1993 WeakPolarHBondContact O-CB 3.41Å; I1989-H1993 PolarHBondContact O-N 3.13Å; I1989-L2019 HydrophobicContact CD1-CD1 4.44Å; I1989-L2019 HydrophobicContact CD1-CD2 4.1Å; I1989-F2022 HydrophobicContact CD1-CB 3.78Å; I1989-F2022 HydrophobicContact CD1-CD2 4.2Å; I1989-F2022 HydrophobicContact CD1-CG 4.05Å |
| 1990 | I | 81.9 | Confident | 79.1 | Confident | 2.2 Ų | 2.2 | 41.8 Ų | 41.8 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 174.4 | -70.3 | 162.2 | 0 | 0 | 0 | 110.8 | F1692 M1695 I1769 F1777 S1986 R1987 N1992 H1993 C1994 | F1692-I1990 HydrophobicContact CB-CG2 4.25Å; F1692-I1990 HydrophobicContact CD1-CG2 3.89Å; F1692-I1990 HydrophobicContact CG-CG2 4.39Å; M1695-I1990 HydrophobicContact CB-CD1 3.81Å; M1695-I1990 HydrophobicContact SD-CD1 4.46Å; M1695-I1990 HydrophobicContact SD-CG1 4.46Å; I1769-I1990 HydrophobicContact CD1-CG1 4.02Å; I1769-I1990 HydrophobicContact CG1-CG1 4.17Å; I1769-I1990 HydrophobicContact CG2-CG1 4.37Å; F1777-I1990 HydrophobicContact CE1-CD1 3.86Å; F1777-I1990 HydrophobicContact CE2-CD1 4.1Å; F1777-I1990 HydrophobicContact CZ-CD1 3.5Å; F1777-I1990 VanDerWaalsContact CZ-CD1 3.43Å; F1777-I1990 HydrophobicContact CZ-CG1 4.46Å; S1986-I1990 WeakPolarHBondContact O-CG1 3.25Å; S1986-I1990 PolarHBondContact O-N 3.25Å; R1987-I1990 WeakPolarHBondContact O-CB 3.37Å; R1987-I1990 PolarHBondContact O-N 3.3Å; I1990-N1992 PolarHBondContact O-N 3.43Å; I1990-H1993 PolarHBondContact O-N 2.96Å; I1990-C1994 VanDerWaalsContact O-CB 3.25Å; I1990-C1994 WeakPolarHBondContact O-CB 3.32Å; I1990-C1994 PolarHBondContact O-N 3.08Å |
| 1991 | D | 80.1 | Confident | 77.9 | Confident | 42.2 Ų | 42.2 | 46 Ų | 46 | 23% | 0.226 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | -178.9 | -73.3 | -8.1 | 0 | 0 | 0 | 111.9 | R1696 R1987 Q1988 I1989 H1993 C1994 Q1995 | R1696-D1991 IonicContact CZ-OD1 3.28Å; R1696-D1991 IonicContact CZ-OD2 3.26Å; R1696-D1991 IonicContact NH1-OD1 2.7Å; R1696-D1991 PolarHBondContact NH1-OD1 3.18Å; R1696-D1991 IonicContact NH1-OD2 2.83Å; R1696-D1991 PolarHBondContact NH1-OD2 3.17Å; R1696-D1991 IonicContact NH2-OD2 3.47Å; R1987-D1991 PolarHBondContact O-N 3.3Å; R1987-D1991 VanDerWaalsContact O-N 3.13Å; Q1988-D1991 PolarHBondContact O-N 3.24Å; I1989-D1991 VanDerWaalsContact C-N 3.33Å; I1989-D1991 PolarHBondContact O-N 2.92Å; D1991-H1993 VanDerWaalsContact C-N 3.34Å; D1991-H1993 PolarHBondContact O-N 2.79Å; D1991-C1994 PolarHBondContact O-N 3.16Å; D1991-Q1995 WeakPolarHBondContact O-CB 3.1Å; D1991-Q1995 VanDerWaalsContact O-CG 3.27Å; D1991-Q1995 WeakPolarHBondContact O-CG 3.37Å; D1991-Q1995 PolarHBondContact O-N 3.26Å; D1991-Q1995 VanDerWaalsContact O-N 3.08Å; D1991-Q1995 PolarHBondContact O-NE2 2.9Å |
| 1992 | N | 78.2 | Confident | 76.6 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.16 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.2 | -70 | -14 | 0 | 0 | 0 | 111.5 | Q1988 I1989 I1990 Q1995 N1996 N2014 D2015 | Q1988-N1992 WeakPolarHBondContact O-CB 3.4Å; Q1988-N1992 VanDerWaalsContact O-CG 3.27Å; Q1988-N1992 PolarHBondContact O-N 3.22Å; Q1988-N1992 PolarHBondContact O-ND2 3.37Å; I1989-N1992 PolarHBondContact O-N 3.15Å; I1990-N1992 PolarHBondContact O-N 3.43Å; N1992-Q1995 PolarHBondContact O-N 3.02Å; N1992-N1996 WeakPolarHBondContact O-CB 3.41Å; N1992-N1996 VanDerWaalsContact O-CG 3.28Å; N1992-N1996 PolarHBondContact O-N 3.04Å; N1992-N1996 PolarHBondContact O-ND2 3.46Å; N1992-N2014 PolarHBondContact ND2-O 3.1Å; N1992-N2014 VanDerWaalsContact ND2-O 3.16Å; N1992-D2015 WeakPolarHBondContact CB-OD1 3.35Å |
| 1993 | H | 77.2 | Confident | 75 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 179.2 | -162.3 | 52.2 | 0 | 0 | 0 | 112.1 | F1692 I1769 N1772 I1989 I1990 D1991 Q1995 N1996 I1997 | F1692-H1993 AromaticContact CE1-CD2 3.93Å; F1692-H1993 AromaticContact CZ-CD2 3.75Å; F1692-H1993 AromaticContact CZ-ND1 3.51Å; I1769-H1993 HydrophobicContact CG2-CB 4.12Å; I1769-H1993 PolarHBondContact O-NE2 3.17Å; N1772-H1993 PolarHBondContact OD1-NE2 3.26Å; I1989-H1993 VanDerWaalsContact O-CB 3.28Å; I1989-H1993 WeakPolarHBondContact O-CB 3.41Å; I1989-H1993 PolarHBondContact O-N 3.13Å; I1990-H1993 PolarHBondContact O-N 2.96Å; D1991-H1993 VanDerWaalsContact C-N 3.34Å; D1991-H1993 PolarHBondContact O-N 2.79Å; H1993-Q1995 VanDerWaalsContact C-N 3.34Å; H1993-Q1995 PolarHBondContact O-N 3.24Å; H1993-N1996 CarbonylContact O-C 3.57Å; H1993-N1996 PolarHBondContact O-N 3.17Å; H1993-I1997 VanDerWaalsContact CE1-CD1 3.49Å; H1993-I1997 WeakPolarHBondContact CE1-CD1 3.03Å; H1993-I1997 WeakPolarHBondContact ND1-CD1 3.13Å; H1993-I1997 WeakPolarHBondContact O-CG1 3.34Å; H1993-I1997 PolarHBondContact O-N 3.18Å |
| 1994 | C | 76.3 | Confident | 73.3 | Confident | 25.4 Ų | 25.4 | 54.4 Ų | 54.4 | 17% | 0.172 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 174.2 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | F1692 I1990 D1991 N1996 I1997 Q1998 | F1692-C1994 HydrophobicContact CD2-CB 4.19Å; F1692-C1994 HydrophobicContact CE2-CB 4.31Å; F1692-C1994 HydrophobicContact CG-CB 4.37Å; I1990-C1994 VanDerWaalsContact O-CB 3.25Å; I1990-C1994 WeakPolarHBondContact O-CB 3.32Å; I1990-C1994 PolarHBondContact O-N 3.08Å; D1991-C1994 PolarHBondContact O-N 3.16Å; C1994-N1996 VanDerWaalsContact C-N 3.29Å; C1994-N1996 PolarHBondContact O-N 3.14Å; C1994-I1997 PolarHBondContact O-N 3.16Å; C1994-I1997 VanDerWaalsContact O-N 3.17Å; C1994-Q1998 WeakPolarHBondContact O-CB 3.39Å; C1994-Q1998 WeakPolarHBondContact O-CG 3.41Å; C1994-Q1998 PolarHBondContact O-N 2.97Å |
| 1995 | Q | 73.7 | Confident | 71.7 | Confident | 103.6 Ų | 103.6 | 59 Ų | 59 | 48% | 0.484 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 174.9 | -73.9 | 172.9 | 30.4 | 0 | 0 | 112.2 | D1991 N1992 H1993 I1997 Q1998 A1999 | D1991-Q1995 WeakPolarHBondContact O-CB 3.1Å; D1991-Q1995 VanDerWaalsContact O-CG 3.27Å; D1991-Q1995 WeakPolarHBondContact O-CG 3.37Å; D1991-Q1995 PolarHBondContact O-N 3.26Å; D1991-Q1995 VanDerWaalsContact O-N 3.08Å; D1991-Q1995 PolarHBondContact O-NE2 2.9Å; N1992-Q1995 PolarHBondContact O-N 3.02Å; H1993-Q1995 VanDerWaalsContact C-N 3.34Å; H1993-Q1995 PolarHBondContact O-N 3.24Å; Q1995-I1997 VanDerWaalsContact C-N 3.32Å; Q1995-I1997 PolarHBondContact O-N 3.26Å; Q1995-Q1998 PolarHBondContact O-N 3.11Å; Q1995-A1999 VanDerWaalsContact O-CB 3.26Å; Q1995-A1999 WeakPolarHBondContact O-CB 3.34Å; Q1995-A1999 PolarHBondContact O-N 3.26Å |
| 1996 | N | 69.9 | Low | 70 | Confident | 13.6 Ų | 13.6 | 65.7 Ų | 65.7 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.7 | -32.3 | 178.9 | -91.9 | -11.4 | 0 | 0 | 0 | 113.3 | N1992 H1993 C1994 A1999 K2000 N2011 D2015 | N1992-N1996 WeakPolarHBondContact O-CB 3.41Å; N1992-N1996 VanDerWaalsContact O-CG 3.28Å; N1992-N1996 PolarHBondContact O-N 3.04Å; N1992-N1996 PolarHBondContact O-ND2 3.46Å; H1993-N1996 CarbonylContact O-C 3.57Å; H1993-N1996 PolarHBondContact O-N 3.17Å; C1994-N1996 VanDerWaalsContact C-N 3.29Å; C1994-N1996 PolarHBondContact O-N 3.14Å; N1996-A1999 PolarHBondContact O-N 3.36Å; N1996-K2000 WeakPolarHBondContact O-CB 3.35Å; N1996-K2000 VanDerWaalsContact O-CD 3.23Å; N1996-K2000 WeakPolarHBondContact O-CD 3.43Å; N1996-K2000 WeakPolarHBondContact O-CE 3.42Å; N1996-K2000 VanDerWaalsContact O-CG 3.28Å; N1996-K2000 WeakPolarHBondContact O-CG 3.34Å; N1996-K2000 PolarHBondContact O-N 3.02Å; N1996-K2000 VanDerWaalsContact O-N 3.13Å; N1996-N2011 HydrophobicContact CB-CB 4.43Å; N1996-N2011 PolarHBondContact ND2-O 2.8Å; N1996-N2011 VanDerWaalsContact OD1-CB 3.27Å; N1996-N2011 WeakPolarHBondContact OD1-CB 3.15Å; N1996-N2011 PolarHBondContact OD1-ND2 3.01Å; N1996-N2011 VanDerWaalsContact OD1-ND2 3.14Å; N1996-D2015 PolarHBondContact ND2-OD1 3.25Å; N1996-D2015 PolarHBondContact ND2-OD2 3.03Å |
| 1997 | I | 69.9 | Low | 68.3 | Low | 29.6 Ų | 29.6 | 69.9 Ų | 69.9 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73.4 | -42.5 | 172.4 | -66.4 | 169.8 | 0 | 0 | 0 | 110.5 | L1688 F1692 H1993 C1994 Q1995 A1999 K2000 L2001 | L1688-I1997 HydrophobicContact CD2-CB 4.46Å; L1688-I1997 HydrophobicContact CD2-CD1 3.94Å; L1688-I1997 HydrophobicContact CD2-CG2 3.76Å; F1692-I1997 HydrophobicContact CE2-CD1 3.91Å; F1692-I1997 HydrophobicContact CZ-CD1 3.86Å; H1993-I1997 VanDerWaalsContact CE1-CD1 3.49Å; H1993-I1997 WeakPolarHBondContact CE1-CD1 3.03Å; H1993-I1997 WeakPolarHBondContact ND1-CD1 3.13Å; H1993-I1997 WeakPolarHBondContact O-CG1 3.34Å; H1993-I1997 PolarHBondContact O-N 3.18Å; C1994-I1997 PolarHBondContact O-N 3.16Å; C1994-I1997 VanDerWaalsContact O-N 3.17Å; Q1995-I1997 VanDerWaalsContact C-N 3.32Å; Q1995-I1997 PolarHBondContact O-N 3.26Å; I1997-A1999 VanDerWaalsContact C-N 3.33Å; I1997-A1999 PolarHBondContact O-N 3.13Å; I1997-K2000 WeakPolarHBondContact O-CA 3.13Å; I1997-K2000 WeakPolarHBondContact O-CB 3.45Å; I1997-K2000 PolarHBondContact O-N 3.33Å; I1997-L2001 HydrophobicContact CG2-CD1 3.87Å; I1997-L2001 HydrophobicContact CG2-CG 4.3Å; I1997-L2001 WeakPolarHBondContact O-CB 3.27Å; I1997-L2001 VanDerWaalsContact O-CG 3.32Å; I1997-L2001 WeakPolarHBondContact O-CG 3.39Å; I1997-L2001 PolarHBondContact O-N 3.17Å |
| 1998 | Q | 67.7 | Low | 66.7 | Low | 79 Ų | 79 | 71.8 Ų | 71.8 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 175.6 | -106.7 | 173.4 | -4.5 | 0 | 0 | 112 | C1994 Q1995 K2000 L2001 N2002 | C1994-Q1998 WeakPolarHBondContact O-CB 3.39Å; C1994-Q1998 WeakPolarHBondContact O-CG 3.41Å; C1994-Q1998 PolarHBondContact O-N 2.97Å; Q1995-Q1998 PolarHBondContact O-N 3.11Å; Q1998-K2000 VanDerWaalsContact C-N 3.31Å; Q1998-K2000 PolarHBondContact O-N 3.32Å; Q1998-L2001 PolarHBondContact O-N 3.17Å; Q1998-N2002 VanDerWaalsContact O-CB 3.3Å; Q1998-N2002 WeakPolarHBondContact O-CB 3.44Å; Q1998-N2002 VanDerWaalsContact O-CG 3.27Å; Q1998-N2002 PolarHBondContact O-N 3.14Å; Q1998-N2002 PolarHBondContact O-ND2 3.07Å |
| 1999 | A | 64.2 | Low | 65.3 | Low | 26.4 Ų | 26.4 | 74.6 Ų | 74.6 | 22% | 0.218 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65 | -35.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1995 N1996 I1997 N2002 G2003 D2004 N2011 | Q1995-A1999 VanDerWaalsContact O-CB 3.26Å; Q1995-A1999 WeakPolarHBondContact O-CB 3.34Å; Q1995-A1999 PolarHBondContact O-N 3.26Å; N1996-A1999 PolarHBondContact O-N 3.36Å; I1997-A1999 VanDerWaalsContact C-N 3.33Å; I1997-A1999 PolarHBondContact O-N 3.13Å; A1999-N2002 PolarHBondContact O-N 3.05Å; A1999-G2003 PolarHBondContact O-N 3.11Å; A1999-D2004 PolarHBondContact O-N 3.33Å; A1999-N2011 WeakPolarHBondContact CB-ND2 3.42Å |
| 2000 | K | 65.4 | Low | 63.9 | Low | 155 Ų | 155 | 78.6 Ų | 78.6 | 67% | 0.674 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.5 | -36.8 | 173.9 | -76.5 | 171.7 | -175.5 | 169.1 | 0 | 112.4 | N1996 I1997 Q1998 G2003 | N1996-K2000 WeakPolarHBondContact O-CB 3.35Å; N1996-K2000 VanDerWaalsContact O-CD 3.23Å; N1996-K2000 WeakPolarHBondContact O-CD 3.43Å; N1996-K2000 WeakPolarHBondContact O-CE 3.42Å; N1996-K2000 VanDerWaalsContact O-CG 3.28Å; N1996-K2000 WeakPolarHBondContact O-CG 3.34Å; N1996-K2000 PolarHBondContact O-N 3.02Å; N1996-K2000 VanDerWaalsContact O-N 3.13Å; I1997-K2000 WeakPolarHBondContact O-CA 3.13Å; I1997-K2000 WeakPolarHBondContact O-CB 3.45Å; I1997-K2000 PolarHBondContact O-N 3.33Å; Q1998-K2000 VanDerWaalsContact C-N 3.31Å; Q1998-K2000 PolarHBondContact O-N 3.32Å; K2000-G2003 PolarHBondContact O-N 2.97Å |
| 2001 | L | 62.4 | Low | 62.6 | Low | 100.4 Ų | 100.4 | 80.4 Ų | 80.4 | 53% | 0.526 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71 | -36.8 | 177.1 | -74.5 | 166 | 0 | 0 | 0 | 112.1 | E1685 I1997 Q1998 G2003 | E1685-L2001 HydrophobicContact CB-CD1 4.49Å; E1685-L2001 HydrophobicContact CG-CD1 4.18Å; I1997-L2001 HydrophobicContact CG2-CD1 3.87Å; I1997-L2001 HydrophobicContact CG2-CG 4.3Å; I1997-L2001 WeakPolarHBondContact O-CB 3.27Å; I1997-L2001 VanDerWaalsContact O-CG 3.32Å; I1997-L2001 WeakPolarHBondContact O-CG 3.39Å; I1997-L2001 PolarHBondContact O-N 3.17Å; Q1998-L2001 PolarHBondContact O-N 3.17Å; L2001-G2003 VanDerWaalsContact C-N 3.29Å; L2001-G2003 PolarHBondContact O-N 3.26Å; L2001-G2003 VanDerWaalsContact O-N 3.14Å |
| 2002 | N | 60.9 | Low | 61.2 | Low | 110 Ų | 110 | 81 Ų | 81 | 59% | 0.588 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.6 | -179.1 | -71.1 | -28.5 | 0 | 0 | 0 | 114.8 | Q1998 A1999 D2004 | Q1998-N2002 VanDerWaalsContact O-CB 3.3Å; Q1998-N2002 WeakPolarHBondContact O-CB 3.44Å; Q1998-N2002 VanDerWaalsContact O-CG 3.27Å; Q1998-N2002 PolarHBondContact O-N 3.14Å; Q1998-N2002 PolarHBondContact O-ND2 3.07Å; A1999-N2002 PolarHBondContact O-N 3.05Å; N2002-D2004 VanDerWaalsContact C-N 3.3Å; N2002-D2004 PolarHBondContact O-N 3.26Å; N2002-D2004 VanDerWaalsContact O-N 3.09Å |
| 2003 | G | 55.2 | Low | 60.1 | Low | 50.8 Ų | 50.8 | 84 Ų | 84 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 6.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A1999 K2000 L2001 L2005 | A1999-G2003 PolarHBondContact O-N 3.11Å; K2000-G2003 PolarHBondContact O-N 2.97Å; L2001-G2003 VanDerWaalsContact C-N 3.29Å; L2001-G2003 PolarHBondContact O-N 3.26Å; L2001-G2003 VanDerWaalsContact O-N 3.14Å; G2003-L2005 PolarHBondContact O-N 2.91Å; G2003-L2005 VanDerWaalsContact O-N 3.12Å |
| 2004 | D | 50.5 | Low | 59.1 | Low | 120.4 Ų | 120.4 | 85.9 Ų | 85.9 | 64% | 0.644 | 47% | 0.47 | S | S | * | . | trans | -80.5 | 75.8 | -179.2 | -83.6 | -28.2 | 0 | 0 | 0 | 112.2 | A1999 N2002 N2006 N2007 | A1999-D2004 PolarHBondContact O-N 3.33Å; N2002-D2004 VanDerWaalsContact C-N 3.3Å; N2002-D2004 PolarHBondContact O-N 3.26Å; N2002-D2004 VanDerWaalsContact O-N 3.09Å; D2004-N2006 PolarHBondContact O-N 3.25Å; D2004-N2006 VanDerWaalsContact O-N 3.15Å; D2004-N2007 PolarHBondContact O-N 3.01Å | ||
| 2005 | L | 51 | Low | 58.1 | Low | 144.4 Ų | 144.4 | 87.3 Ų | 87.3 | 76% | 0.756 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -2.1 | 177.2 | -91.3 | 135.5 | 0 | 0 | 0 | 115.1 | G2003 N2007 N2008 | G2003-L2005 PolarHBondContact O-N 2.91Å; G2003-L2005 VanDerWaalsContact O-N 3.12Å; L2005-N2007 VanDerWaalsContact C-N 3.28Å; L2005-N2007 PolarHBondContact O-N 3.33Å; L2005-N2008 WeakPolarHBondContact O-CB 3.23Å; L2005-N2008 PolarHBondContact O-N 3.14Å; L2005-N2008 PolarHBondContact O-ND2 3.23Å |
| 2006 | N | 50.5 | Low | 57.7 | Low | 159.4 Ų | 159.4 | 91.4 Ų | 91.4 | 85% | 0.852 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 4.3 | -167 | -116.9 | -3.5 | 0 | 0 | 0 | 115.8 | D2004 | D2004-N2006 PolarHBondContact O-N 3.25Å; D2004-N2006 VanDerWaalsContact O-N 3.15Å |
| 2007 | N | 50.9 | Low | 57.6 | Low | 89.2 Ų | 89.2 | 94.2 Ų | 94.2 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | trans | -119.1 | 19.1 | 179.6 | -123.4 | -8.2 | 0 | 0 | 0 | 115.2 | D2004 L2005 N2009 N2010 N2011 | D2004-N2007 PolarHBondContact O-N 3.01Å; L2005-N2007 VanDerWaalsContact C-N 3.28Å; L2005-N2007 PolarHBondContact O-N 3.33Å; N2007-N2009 VanDerWaalsContact C-N 3.28Å; N2007-N2009 PolarHBondContact O-N 3.27Å; N2007-N2009 VanDerWaalsContact O-N 3.14Å; N2007-N2010 PolarHBondContact O-N 3.12Å; N2007-N2010 PolarHBondContact OD1-ND2 3.12Å; N2007-N2011 WeakPolarHBondContact O-CB 3.4Å; N2007-N2011 PolarHBondContact O-N 3.39Å | ||
| 2008 | N | 50.8 | Low | 57.8 | Low | 99.8 Ų | 99.8 | 92.9 Ų | 92.9 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -20.2 | -174 | -75.6 | -26.9 | 0 | 0 | 0 | 115.4 | L2005 A2012 | L2005-N2008 WeakPolarHBondContact O-CB 3.23Å; L2005-N2008 PolarHBondContact O-N 3.14Å; L2005-N2008 PolarHBondContact O-ND2 3.23Å; N2008-A2012 WeakPolarHBondContact O-CB 3.3Å; N2008-A2012 PolarHBondContact O-N 3.26Å |
| 2009 | N | 52.8 | Low | 58.2 | Low | 136.4 Ų | 136.4 | 92.8 Ų | 92.8 | 73% | 0.729 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -86.8 | -25.6 | -177.1 | -72.5 | -9.1 | 0 | 0 | 0 | 114.2 | N2007 N2013 | N2007-N2009 VanDerWaalsContact C-N 3.28Å; N2007-N2009 PolarHBondContact O-N 3.27Å; N2007-N2009 VanDerWaalsContact O-N 3.14Å; N2009-N2013 WeakPolarHBondContact O-CB 3.03Å; N2009-N2013 PolarHBondContact O-N 2.62Å; N2009-N2013 VanDerWaalsContact O-N 3.12Å; N2009-N2013 PolarHBondContact O-ND2 3.01Å; N2009-N2013 VanDerWaalsContact O-ND2 3.13Å |
| 2010 | N | 52.7 | Low | 59.1 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -89.1 | -34.1 | 179 | -71.1 | -25.1 | 0 | 0 | 0 | 112 | N2007 A2012 N2013 N2014 | N2007-N2010 PolarHBondContact O-N 3.12Å; N2007-N2010 PolarHBondContact OD1-ND2 3.12Å; N2010-A2012 VanDerWaalsContact C-N 3.27Å; N2010-A2012 PolarHBondContact O-N 2.82Å; N2010-N2013 WeakPolarHBondContact O-CB 3.37Å; N2010-N2013 PolarHBondContact O-N 3.2Å; N2010-N2014 VanDerWaalsContact O-CG 3.3Å; N2010-N2014 PolarHBondContact O-N 3.28Å; N2010-N2014 PolarHBondContact O-OD1 3.43Å |
| 2011 | N | 53.3 | Low | 60 | Low | 39.4 Ų | 39.4 | 90.3 Ų | 90.3 | 21% | 0.211 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -71.5 | -31.6 | -179 | -71.1 | 12.8 | 0 | 0 | 0 | 113.2 | N1996 A1999 N2007 N2013 N2014 D2015 | N1996-N2011 HydrophobicContact CB-CB 4.43Å; N1996-N2011 PolarHBondContact ND2-O 2.8Å; N1996-N2011 VanDerWaalsContact OD1-CB 3.27Å; N1996-N2011 WeakPolarHBondContact OD1-CB 3.15Å; N1996-N2011 PolarHBondContact OD1-ND2 3.01Å; N1996-N2011 VanDerWaalsContact OD1-ND2 3.14Å; A1999-N2011 WeakPolarHBondContact CB-ND2 3.42Å; N2007-N2011 WeakPolarHBondContact O-CB 3.4Å; N2007-N2011 PolarHBondContact O-N 3.39Å; N2011-N2013 VanDerWaalsContact C-N 3.28Å; N2011-N2013 PolarHBondContact O-N 3.16Å; N2011-N2014 PolarHBondContact O-N 3.15Å; N2011-N2014 VanDerWaalsContact O-N 3.14Å; N2011-D2015 PolarHBondContact O-N 3.3Å |
| 2012 | A | 51.9 | Low | 61.1 | Low | 55.2 Ų | 55.2 | 86.2 Ų | 86.2 | 46% | 0.456 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.8 | -26.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N2008 N2010 R2016 | N2008-A2012 WeakPolarHBondContact O-CB 3.3Å; N2008-A2012 PolarHBondContact O-N 3.26Å; N2010-A2012 VanDerWaalsContact C-N 3.27Å; N2010-A2012 PolarHBondContact O-N 2.82Å; A2012-R2016 WeakPolarHBondContact O-CB 3.38Å; A2012-R2016 WeakPolarHBondContact O-CG 3.38Å; A2012-R2016 PolarHBondContact O-N 3.09Å; A2012-R2016 VanDerWaalsContact O-N 3.15Å |
| 2013 | N | 54.3 | Low | 62.3 | Low | 92.6 Ų | 92.6 | 84.8 Ų | 84.8 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -76.5 | -35.7 | 174.1 | -70.4 | -26 | 0 | 0 | 0 | 111.5 | N2009 N2010 N2011 R2016 T2017 | N2009-N2013 WeakPolarHBondContact O-CB 3.03Å; N2009-N2013 PolarHBondContact O-N 2.62Å; N2009-N2013 VanDerWaalsContact O-N 3.12Å; N2009-N2013 PolarHBondContact O-ND2 3.01Å; N2009-N2013 VanDerWaalsContact O-ND2 3.13Å; N2010-N2013 WeakPolarHBondContact O-CB 3.37Å; N2010-N2013 PolarHBondContact O-N 3.2Å; N2011-N2013 VanDerWaalsContact C-N 3.28Å; N2011-N2013 PolarHBondContact O-N 3.16Å; N2013-R2016 WeakPolarHBondContact O-CB 3.34Å; N2013-R2016 PolarHBondContact O-N 3.04Å; N2013-T2017 VanDerWaalsContact O-CG2 3.29Å; N2013-T2017 WeakPolarHBondContact O-CG2 3.42Å; N2013-T2017 PolarHBondContact O-N 3.05Å; N2013-T2017 VanDerWaalsContact O-N 3.15Å; N2013-T2017 PolarHBondContact O-OG1 3.09Å |
| 2014 | N | 56.2 | Low | 63.9 | Low | 75.2 Ų | 75.2 | 86.7 Ų | 86.7 | 40% | 0.402 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.8 | -39 | 178.8 | -70.9 | -7 | 0 | 0 | 0 | 113 | N1992 N2010 N2011 R2016 T2017 G2018 | N1992-N2014 PolarHBondContact ND2-O 3.1Å; N1992-N2014 VanDerWaalsContact ND2-O 3.16Å; N2010-N2014 VanDerWaalsContact O-CG 3.3Å; N2010-N2014 PolarHBondContact O-N 3.28Å; N2010-N2014 PolarHBondContact O-OD1 3.43Å; N2011-N2014 PolarHBondContact O-N 3.15Å; N2011-N2014 VanDerWaalsContact O-N 3.14Å; N2014-R2016 VanDerWaalsContact C-N 3.29Å; N2014-R2016 PolarHBondContact O-N 3.06Å; N2014-T2017 WeakPolarHBondContact CA-OG1 3.47Å; N2014-T2017 PolarHBondContact O-N 3.1Å; N2014-T2017 PolarHBondContact O-OG1 3.14Å; N2014-T2017 VanDerWaalsContact O-OG1 3.12Å; N2014-G2018 PolarHBondContact O-N 3.13Å; N2014-G2018 VanDerWaalsContact O-N 3.12Å |
| 2015 | D | 56.6 | Low | 65.6 | Low | 53 Ų | 53 | 81.6 Ų | 81.6 | 28% | 0.283 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 172.6 | -82.7 | -10.7 | 0 | 0 | 0 | 111.4 | N1992 N1996 N2011 G2018 L2019 | N1992-D2015 WeakPolarHBondContact CB-OD1 3.35Å; N1996-D2015 PolarHBondContact ND2-OD1 3.25Å; N1996-D2015 PolarHBondContact ND2-OD2 3.03Å; N2011-D2015 PolarHBondContact O-N 3.3Å; D2015-G2018 PolarHBondContact O-N 3.39Å; D2015-L2019 VanDerWaalsContact O-CB 3.29Å; D2015-L2019 WeakPolarHBondContact O-CB 3.35Å; D2015-L2019 WeakPolarHBondContact O-CD1 3.36Å; D2015-L2019 WeakPolarHBondContact O-CG 3.35Å; D2015-L2019 PolarHBondContact O-N 3.18Å |
| 2016 | R | 63.9 | Low | 67.4 | Low | 190.8 Ų | 190.8 | 78.8 Ų | 78.8 | 72% | 0.72 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -71.5 | -36 | 179 | -108.6 | 179.2 | 176.6 | -176.2 | -0.9 | 113.1 | A2012 N2013 N2014 L2019 S2020 | A2012-R2016 WeakPolarHBondContact O-CB 3.38Å; A2012-R2016 WeakPolarHBondContact O-CG 3.38Å; A2012-R2016 PolarHBondContact O-N 3.09Å; A2012-R2016 VanDerWaalsContact O-N 3.15Å; N2013-R2016 WeakPolarHBondContact O-CB 3.34Å; N2013-R2016 PolarHBondContact O-N 3.04Å; N2014-R2016 VanDerWaalsContact C-N 3.29Å; N2014-R2016 PolarHBondContact O-N 3.06Å; R2016-L2019 PolarHBondContact O-N 3.49Å; R2016-S2020 VanDerWaalsContact O-CB 3.29Å; R2016-S2020 WeakPolarHBondContact O-CB 3.42Å; R2016-S2020 PolarHBondContact O-N 3.17Å; R2016-S2020 PolarHBondContact O-OG 3.16Å |
| 2017 | T | 69.3 | Low | 69.3 | Low | 72.4 Ų | 72.4 | 76.8 Ų | 76.8 | 44% | 0.444 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.2 | -39.3 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | N2013 N2014 L2019 S2020 N2021 | N2013-T2017 VanDerWaalsContact O-CG2 3.29Å; N2013-T2017 WeakPolarHBondContact O-CG2 3.42Å; N2013-T2017 PolarHBondContact O-N 3.05Å; N2013-T2017 VanDerWaalsContact O-N 3.15Å; N2013-T2017 PolarHBondContact O-OG1 3.09Å; N2014-T2017 WeakPolarHBondContact CA-OG1 3.47Å; N2014-T2017 PolarHBondContact O-N 3.1Å; N2014-T2017 PolarHBondContact O-OG1 3.14Å; N2014-T2017 VanDerWaalsContact O-OG1 3.12Å; T2017-L2019 VanDerWaalsContact C-N 3.34Å; T2017-L2019 PolarHBondContact O-N 3.01Å; T2017-S2020 WeakPolarHBondContact CA-OG 3.45Å; T2017-S2020 PolarHBondContact O-N 3.24Å; T2017-S2020 PolarHBondContact O-OG 3.1Å; T2017-N2021 WeakPolarHBondContact O-CB 3.07Å; T2017-N2021 PolarHBondContact O-N 3.13Å; T2017-N2021 VanDerWaalsContact O-N 3.15Å; T2017-N2021 PolarHBondContact O-ND2 3.17Å; T2017-N2021 PolarHBondContact O-OD1 3.15Å |
| 2018 | G | 72.2 | Confident | 71.1 | Confident | 2.6 Ų | 2.6 | 76.5 Ų | 76.5 | 3% | 0.027 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | N2014 D2015 N2021 F2022 | N2014-G2018 PolarHBondContact O-N 3.13Å; N2014-G2018 VanDerWaalsContact O-N 3.12Å; D2015-G2018 PolarHBondContact O-N 3.39Å; G2018-N2021 PolarHBondContact O-N 2.87Å; G2018-F2022 WeakPolarHBondContact O-CB 3.42Å; G2018-F2022 PolarHBondContact O-N 3.13Å; G2018-F2022 VanDerWaalsContact O-N 3.11Å |
| 2019 | L | 78 | Confident | 73 | Confident | 76.2 Ų | 76.2 | 72.1 Ų | 72.1 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 176.4 | -112 | 127 | 0 | 0 | 0 | 112.7 | P1766 I1989 D2015 R2016 T2017 F2022 E2023 | P1766-L2019 HydrophobicContact CB-CD1 3.71Å; P1766-L2019 HydrophobicContact CB-CD2 4.04Å; P1766-L2019 HydrophobicContact CG-CD1 4.14Å; I1989-L2019 HydrophobicContact CD1-CD1 4.44Å; I1989-L2019 HydrophobicContact CD1-CD2 4.1Å; D2015-L2019 VanDerWaalsContact O-CB 3.29Å; D2015-L2019 WeakPolarHBondContact O-CB 3.35Å; D2015-L2019 WeakPolarHBondContact O-CD1 3.36Å; D2015-L2019 WeakPolarHBondContact O-CG 3.35Å; D2015-L2019 PolarHBondContact O-N 3.18Å; R2016-L2019 PolarHBondContact O-N 3.49Å; T2017-L2019 VanDerWaalsContact C-N 3.34Å; T2017-L2019 PolarHBondContact O-N 3.01Å; L2019-F2022 PolarHBondContact O-N 3.16Å; L2019-E2023 WeakPolarHBondContact O-CG 3.36Å; L2019-E2023 PolarHBondContact O-N 3.02Å; L2019-E2023 VanDerWaalsContact O-N 3.08Å |
| 2020 | S | 81.7 | Confident | 74.8 | Confident | 55.8 Ų | 55.8 | 69.2 Ų | 69.2 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 176 | 149.4 | 0 | 0 | 0 | 0 | 111.7 | R2016 T2017 F2022 E2023 D2024 | R2016-S2020 VanDerWaalsContact O-CB 3.29Å; R2016-S2020 WeakPolarHBondContact O-CB 3.42Å; R2016-S2020 PolarHBondContact O-N 3.17Å; R2016-S2020 PolarHBondContact O-OG 3.16Å; T2017-S2020 WeakPolarHBondContact CA-OG 3.45Å; T2017-S2020 PolarHBondContact O-N 3.24Å; T2017-S2020 PolarHBondContact O-OG 3.1Å; S2020-F2022 VanDerWaalsContact C-N 3.26Å; S2020-F2022 PolarHBondContact O-N 3.07Å; S2020-E2023 PolarHBondContact O-N 3.2Å; S2020-E2023 VanDerWaalsContact O-N 3.16Å; S2020-D2024 WeakPolarHBondContact O-CB 3.44Å; S2020-D2024 VanDerWaalsContact O-CG 3.3Å; S2020-D2024 PolarHBondContact O-N 3.17Å |
| 2021 | N | 84 | Confident | 76.6 | Confident | 73.4 Ų | 73.4 | 69.2 Ų | 69.2 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62 | -33.9 | 178.3 | -67.2 | -9.4 | 0 | 0 | 0 | 112.1 | T2017 G2018 G2025 | T2017-N2021 WeakPolarHBondContact O-CB 3.07Å; T2017-N2021 PolarHBondContact O-N 3.13Å; T2017-N2021 VanDerWaalsContact O-N 3.15Å; T2017-N2021 PolarHBondContact O-ND2 3.17Å; T2017-N2021 PolarHBondContact O-OD1 3.15Å; G2018-N2021 PolarHBondContact O-N 2.87Å; N2021-G2025 PolarHBondContact O-N 3.1Å; N2021-G2025 VanDerWaalsContact O-N 3.08Å |
| 2022 | F | 86.6 | Confident | 78.4 | Confident | 14.2 Ų | 14.2 | 68.2 Ų | 68.2 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.1 | -42.1 | 174.9 | -178.2 | -90.8 | 0 | 0 | 0 | 112.2 | L1762 I1765 P1766 L1982 C1985 S1986 I1989 G2018 L2019 S2020 G2025 R2026 | L1762-F2022 HydrophobicContact CB-CZ 4.48Å; L1762-F2022 HydrophobicContact CD2-CE2 4.25Å; L1762-F2022 HydrophobicContact CD2-CZ 3.8Å; I1765-F2022 HydrophobicContact CB-CZ 4.14Å; I1765-F2022 HydrophobicContact CG2-CE2 4.03Å; I1765-F2022 HydrophobicContact CG2-CZ 3.98Å; P1766-F2022 HydrophobicContact CG-CD1 3.79Å; P1766-F2022 HydrophobicContact CG-CE1 3.43Å; P1766-F2022 VanDerWaalsContact CG-CE1 3.45Å; P1766-F2022 HydrophobicContact CG-CZ 4.09Å; L1982-F2022 HydrophobicContact CD2-CD2 3.73Å; L1982-F2022 HydrophobicContact CD2-CE2 3.84Å; L1982-F2022 HydrophobicContact CD2-CG 4.19Å; L1982-F2022 HydrophobicContact CD2-CZ 4.39Å; L1982-F2022 VanDerWaalsContact CD2-O 3.27Å; L1982-F2022 WeakPolarHBondContact CD2-O 3.36Å; C1985-F2022 HydrophobicContact CB-CB 4.33Å; C1985-F2022 HydrophobicContact CB-CD2 4.28Å; S1986-F2022 VanDerWaalsContact OG-CE2 3.3Å; S1986-F2022 WeakPolarHBondContact OG-CE2 3.38Å; I1989-F2022 HydrophobicContact CD1-CB 3.78Å; I1989-F2022 HydrophobicContact CD1-CD2 4.2Å; I1989-F2022 HydrophobicContact CD1-CG 4.05Å; G2018-F2022 WeakPolarHBondContact O-CB 3.42Å; G2018-F2022 PolarHBondContact O-N 3.13Å; G2018-F2022 VanDerWaalsContact O-N 3.11Å; L2019-F2022 PolarHBondContact O-N 3.16Å; S2020-F2022 VanDerWaalsContact C-N 3.26Å; S2020-F2022 PolarHBondContact O-N 3.07Å; F2022-G2025 PolarHBondContact O-N 3.3Å; F2022-R2026 VanDerWaalsContact O-CB 3.32Å; F2022-R2026 WeakPolarHBondContact O-CB 3.43Å; F2022-R2026 PolarHBondContact O-N 3.31Å |
| 2023 | E | 86.4 | Confident | 80.2 | Confident | 81.2 Ų | 81.2 | 66.3 Ų | 66.3 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 175.3 | -71.9 | -75.7 | 157.3 | 0 | 0 | 112.3 | L2019 S2020 G2025 R2026 H2027 | L2019-E2023 WeakPolarHBondContact O-CG 3.36Å; L2019-E2023 PolarHBondContact O-N 3.02Å; L2019-E2023 VanDerWaalsContact O-N 3.08Å; S2020-E2023 PolarHBondContact O-N 3.2Å; S2020-E2023 VanDerWaalsContact O-N 3.16Å; E2023-G2025 VanDerWaalsContact C-N 3.33Å; E2023-G2025 PolarHBondContact O-N 2.96Å; E2023-R2026 WeakPolarHBondContact O-CB 3.28Å; E2023-R2026 PolarHBondContact O-N 3.23Å; E2023-R2026 VanDerWaalsContact O-N 3.14Å; E2023-R2026 IonicContact OE1-NE 3.24Å; E2023-R2026 IonicContact OE1-NH2 3.84Å; E2023-R2026 IonicContact OE2-CZ 3.18Å; E2023-R2026 VanDerWaalsContact OE2-CZ 3.24Å; E2023-R2026 IonicContact OE2-NE 3.06Å; E2023-R2026 PolarHBondContact OE2-NE 3.25Å; E2023-R2026 IonicContact OE2-NH2 3.35Å; E2023-R2026 PolarHBondContact OE2-NH2 3.06Å; E2023-H2027 WeakPolarHBondContact O-CB 3.47Å; E2023-H2027 PolarHBondContact O-CD2 3.15Å; E2023-H2027 PolarHBondContact O-N 3.11Å |
| 2024 | D | 87.3 | Confident | 81.8 | Confident | 90.4 Ų | 90.4 | 65.9 Ų | 65.9 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 173.2 | -68.6 | -26.5 | 0 | 0 | 0 | 110.8 | S2020 R2026 H2027 N2028 | S2020-D2024 WeakPolarHBondContact O-CB 3.44Å; S2020-D2024 VanDerWaalsContact O-CG 3.3Å; S2020-D2024 PolarHBondContact O-N 3.17Å; D2024-R2026 VanDerWaalsContact C-N 3.29Å; D2024-R2026 PolarHBondContact O-N 3.03Å; D2024-H2027 PolarHBondContact O-N 3.23Å; D2024-N2028 VanDerWaalsContact O-CB 3.32Å; D2024-N2028 WeakPolarHBondContact O-CB 3.38Å; D2024-N2028 VanDerWaalsContact O-CG 3.24Å; D2024-N2028 PolarHBondContact O-N 3.08Å; D2024-N2028 PolarHBondContact O-ND2 3.16Å; D2024-N2028 VanDerWaalsContact O-ND2 3.12Å |
| 2025 | G | 87.3 | Confident | 83.4 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N2021 F2022 E2023 N2028 L2029 | N2021-G2025 PolarHBondContact O-N 3.1Å; N2021-G2025 VanDerWaalsContact O-N 3.08Å; F2022-G2025 PolarHBondContact O-N 3.3Å; E2023-G2025 VanDerWaalsContact C-N 3.33Å; E2023-G2025 PolarHBondContact O-N 2.96Å; G2025-N2028 PolarHBondContact O-N 3.03Å; G2025-L2029 WeakPolarHBondContact O-CB 3.39Å; G2025-L2029 PolarHBondContact O-N 3.09Å |
| 2026 | R | 89.1 | Confident | 85 | Confident | 85.6 Ų | 85.6 | 63.7 Ų | 63.7 | 32% | 0.323 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 177.7 | -173.5 | 178.3 | 70 | 90.5 | 3.2 | 111.4 | N1759 L1762 N1763 L1982 F2022 E2023 D2024 L2029 H2030 | N1759-R2026 PolarHBondContact OD1-NH1 2.88Å; L1762-R2026 HydrophobicContact CB-CG 4.48Å; L1762-R2026 HydrophobicContact CD1-CG 4.11Å; N1763-R2026 PolarHBondContact OD1-NH1 2.79Å; L1982-R2026 HydrophobicContact CD2-CB 4.45Å; F2022-R2026 VanDerWaalsContact O-CB 3.32Å; F2022-R2026 WeakPolarHBondContact O-CB 3.43Å; F2022-R2026 PolarHBondContact O-N 3.31Å; E2023-R2026 WeakPolarHBondContact O-CB 3.28Å; E2023-R2026 PolarHBondContact O-N 3.23Å; E2023-R2026 VanDerWaalsContact O-N 3.14Å; E2023-R2026 IonicContact OE1-NE 3.24Å; E2023-R2026 IonicContact OE1-NH2 3.84Å; E2023-R2026 IonicContact OE2-CZ 3.18Å; E2023-R2026 VanDerWaalsContact OE2-CZ 3.24Å; E2023-R2026 IonicContact OE2-NE 3.06Å; E2023-R2026 PolarHBondContact OE2-NE 3.25Å; E2023-R2026 IonicContact OE2-NH2 3.35Å; E2023-R2026 PolarHBondContact OE2-NH2 3.06Å; D2024-R2026 VanDerWaalsContact C-N 3.29Å; D2024-R2026 PolarHBondContact O-N 3.03Å; R2026-L2029 WeakPolarHBondContact O-CB 3.5Å; R2026-L2029 PolarHBondContact O-N 3.12Å; R2026-H2030 WeakPolarHBondContact O-CB 3.49Å; R2026-H2030 PolarHBondContact O-N 3.12Å; R2026-H2030 VanDerWaalsContact O-N 3.1Å |
| 2027 | H | 89.3 | Confident | 86.1 | Confident | 117.4 Ų | 117.4 | 55.9 Ų | 55.9 | 54% | 0.544 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -46 | 174.2 | -155 | 41.6 | 0 | 0 | 0 | 111.8 | E2023 D2024 L2029 H2030 E2031 | E2023-H2027 WeakPolarHBondContact O-CB 3.47Å; E2023-H2027 PolarHBondContact O-CD2 3.15Å; E2023-H2027 PolarHBondContact O-N 3.11Å; D2024-H2027 PolarHBondContact O-N 3.23Å; H2027-L2029 VanDerWaalsContact C-N 3.29Å; H2027-L2029 PolarHBondContact O-N 3.14Å; H2027-H2030 WeakPolarHBondContact O-CB 3.48Å; H2027-H2030 PolarHBondContact O-N 3.07Å; H2027-H2030 VanDerWaalsContact O-N 3.13Å; H2027-E2031 PolarHBondContact O-N 3.19Å |
| 2028 | N | 89.7 | Confident | 87 | Confident | 82 Ų | 82 | 54.5 Ų | 54.5 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -36.7 | 176.5 | -70.7 | -32.2 | 0 | 0 | 0 | 112.5 | D2024 G2025 S2032 | D2024-N2028 VanDerWaalsContact O-CB 3.32Å; D2024-N2028 WeakPolarHBondContact O-CB 3.38Å; D2024-N2028 VanDerWaalsContact O-CG 3.24Å; D2024-N2028 PolarHBondContact O-N 3.08Å; D2024-N2028 PolarHBondContact O-ND2 3.16Å; D2024-N2028 VanDerWaalsContact O-ND2 3.12Å; G2025-N2028 PolarHBondContact O-N 3.03Å; N2028-S2032 VanDerWaalsContact O-CB 3.31Å; N2028-S2032 WeakPolarHBondContact O-CB 3.35Å; N2028-S2032 PolarHBondContact O-N 2.94Å; N2028-S2032 PolarHBondContact O-OG 3.03Å |
| 2029 | L | 90.9 | Very high | 87.7 | Confident | 9.2 Ų | 9.2 | 55.6 Ų | 55.6 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -48.1 | 173.8 | 179.5 | 67.3 | 0 | 0 | 0 | 111.3 | F1758 L1762 V1975 C1978 I1979 L1982 G2025 R2026 H2027 E2031 S2032 C2033 | F1758-L2029 HydrophobicContact CB-CD2 4.19Å; F1758-L2029 HydrophobicContact CD2-CD2 4.39Å; F1758-L2029 HydrophobicContact CG-CD2 4.28Å; L1762-L2029 HydrophobicContact CD1-CD2 3.5Å; L1762-L2029 VanDerWaalsContact CD1-CD2 3.41Å; V1975-L2029 HydrophobicContact CG1-CD1 3.68Å; C1978-L2029 HydrophobicContact CB-CB 4.29Å; C1978-L2029 HydrophobicContact CB-CD1 3.77Å; I1979-L2029 HydrophobicContact CD1-CD1 4.02Å; I1979-L2029 HydrophobicContact CG1-CD1 3.45Å; I1979-L2029 VanDerWaalsContact CG1-CD1 3.49Å; I1979-L2029 HydrophobicContact CG1-CD2 4.2Å; I1979-L2029 HydrophobicContact CG1-CG 4.47Å; L1982-L2029 HydrophobicContact CD1-CB 4Å; L1982-L2029 HydrophobicContact CD1-CD2 3.84Å; L1982-L2029 HydrophobicContact CD1-CG 4.42Å; G2025-L2029 WeakPolarHBondContact O-CB 3.39Å; G2025-L2029 PolarHBondContact O-N 3.09Å; R2026-L2029 WeakPolarHBondContact O-CB 3.5Å; R2026-L2029 PolarHBondContact O-N 3.12Å; H2027-L2029 VanDerWaalsContact C-N 3.29Å; H2027-L2029 PolarHBondContact O-N 3.14Å; L2029-E2031 VanDerWaalsContact C-N 3.34Å; L2029-E2031 PolarHBondContact O-N 3.07Å; L2029-S2032 CarbonylContact O-C 3.58Å; L2029-S2032 WeakPolarHBondContact O-CA 3.39Å; L2029-S2032 WeakPolarHBondContact O-CB 3.37Å; L2029-S2032 PolarHBondContact O-N 2.87Å; L2029-S2032 VanDerWaalsContact O-N 3.14Å; L2029-C2033 WeakPolarHBondContact O-CB 3.5Å; L2029-C2033 PolarHBondContact O-N 3.24Å; L2029-C2033 PolarHBondContact O-SG 3.1Å; L2029-C2033 VanDerWaalsContact O-SG 3.38Å |
| 2030 | H | 89.6 | Confident | 88.1 | Confident | 73.8 Ų | 73.8 | 52.8 Ų | 52.8 | 34% | 0.342 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 179.1 | -176.8 | 65 | 0 | 0 | 0 | 111.6 | D1755 R2026 H2027 S2032 C2033 L2034 | D1755-H2030 VanDerWaalsContact CG-ND1 3.34Å; D1755-H2030 IonicContact OD1-CE1 3.65Å; D1755-H2030 IonicContact OD1-CG 2.77Å; D1755-H2030 IonicContact OD1-ND1 3.51Å; D1755-H2030 PolarHBondContact OD1-ND1 3.17Å; D1755-H2030 VanDerWaalsContact OD1-ND1 3.11Å; D1755-H2030 IonicContact OD2-CE1 3.6Å; D1755-H2030 PolarHBondContact OD2-CE1 3.35Å; D1755-H2030 VanDerWaalsContact OD2-CE1 3.31Å; D1755-H2030 IonicContact OD2-ND1 2.98Å; D1755-H2030 PolarHBondContact OD2-ND1 3.03Å; D1755-H2030 VanDerWaalsContact OD2-ND1 3.12Å; R2026-H2030 WeakPolarHBondContact O-CB 3.49Å; R2026-H2030 PolarHBondContact O-N 3.12Å; R2026-H2030 VanDerWaalsContact O-N 3.1Å; H2027-H2030 WeakPolarHBondContact O-CB 3.48Å; H2027-H2030 PolarHBondContact O-N 3.07Å; H2027-H2030 VanDerWaalsContact O-N 3.13Å; H2030-S2032 VanDerWaalsContact C-N 3.3Å; H2030-S2032 PolarHBondContact O-N 3.23Å; H2030-C2033 WeakPolarHBondContact O-CB 3.36Å; H2030-C2033 PolarHBondContact O-N 3.3Å; H2030-L2034 WeakPolarHBondContact O-CG 3.34Å; H2030-L2034 PolarHBondContact O-N 3.08Å |
| 2031 | E | 90.7 | Very high | 88.2 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 174.5 | -167.7 | -177.2 | 168.9 | 0 | 0 | 111.6 | H2027 L2029 C2033 L2034 N2035 | H2027-E2031 PolarHBondContact O-N 3.19Å; L2029-E2031 VanDerWaalsContact C-N 3.34Å; L2029-E2031 PolarHBondContact O-N 3.07Å; E2031-C2033 VanDerWaalsContact C-N 3.33Å; E2031-C2033 PolarHBondContact O-N 3.21Å; E2031-L2034 PolarHBondContact O-N 3.14Å; E2031-N2035 WeakPolarHBondContact O-CB 3.37Å; E2031-N2035 VanDerWaalsContact O-CG 3.27Å; E2031-N2035 PolarHBondContact O-N 3.06Å; E2031-N2035 PolarHBondContact O-ND2 3.11Å; E2031-N2035 VanDerWaalsContact O-ND2 3.13Å |
| 2032 | S | 90.8 | Very high | 88 | Confident | 17.6 Ų | 17.6 | 59.3 Ų | 59.3 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | C1978 N2028 L2029 H2030 N2035 L2036 | C1978-S2032 PolarHBondContact SG-OG 3.23Å; C1978-S2032 VanDerWaalsContact SG-OG 3.37Å; N2028-S2032 VanDerWaalsContact O-CB 3.31Å; N2028-S2032 WeakPolarHBondContact O-CB 3.35Å; N2028-S2032 PolarHBondContact O-N 2.94Å; N2028-S2032 PolarHBondContact O-OG 3.03Å; L2029-S2032 CarbonylContact O-C 3.58Å; L2029-S2032 WeakPolarHBondContact O-CA 3.39Å; L2029-S2032 WeakPolarHBondContact O-CB 3.37Å; L2029-S2032 PolarHBondContact O-N 2.87Å; L2029-S2032 VanDerWaalsContact O-N 3.14Å; H2030-S2032 VanDerWaalsContact C-N 3.3Å; H2030-S2032 PolarHBondContact O-N 3.23Å; S2032-N2035 PolarHBondContact O-N 3.24Å; S2032-L2036 WeakPolarHBondContact O-CB 3.32Å; S2032-L2036 PolarHBondContact O-N 2.99Å |
| 2033 | C | 89.4 | Confident | 87.8 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 10% | 0.101 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 173.1 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | D1755 L2029 H2030 E2031 N2035 L2036 L2037 | D1755-C2033 HydrophobicContact CB-CB 4.37Å; L2029-C2033 WeakPolarHBondContact O-CB 3.5Å; L2029-C2033 PolarHBondContact O-N 3.24Å; L2029-C2033 PolarHBondContact O-SG 3.1Å; L2029-C2033 VanDerWaalsContact O-SG 3.38Å; H2030-C2033 WeakPolarHBondContact O-CB 3.36Å; H2030-C2033 PolarHBondContact O-N 3.3Å; E2031-C2033 VanDerWaalsContact C-N 3.33Å; E2031-C2033 PolarHBondContact O-N 3.21Å; C2033-N2035 VanDerWaalsContact C-N 3.33Å; C2033-N2035 PolarHBondContact O-N 3.22Å; C2033-L2036 PolarHBondContact O-N 3.14Å; C2033-L2037 WeakPolarHBondContact O-CB 3.26Å; C2033-L2037 WeakPolarHBondContact O-CG 3.32Å; C2033-L2037 PolarHBondContact O-N 3.03Å |
| 2034 | L | 89.3 | Confident | 87.7 | Confident | 84.2 Ų | 84.2 | 57.2 Ų | 57.2 | 44% | 0.441 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 174.3 | -69.9 | 178.3 | 0 | 0 | 0 | 112 | H2030 E2031 L2037 S2038 | H2030-L2034 WeakPolarHBondContact O-CG 3.34Å; H2030-L2034 PolarHBondContact O-N 3.08Å; E2031-L2034 PolarHBondContact O-N 3.14Å; L2034-L2037 PolarHBondContact O-N 3.12Å; L2034-S2038 WeakPolarHBondContact O-CB 3.42Å; L2034-S2038 PolarHBondContact O-N 3.2Å; L2034-S2038 PolarHBondContact O-OG 3.26Å |
| 2035 | N | 89.8 | Confident | 87.4 | Confident | 75.8 Ų | 75.8 | 53.3 Ų | 53.3 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.8 | -40 | 174.9 | -75 | -28.4 | 0 | 0 | 0 | 111.9 | E2031 S2032 C2033 L2037 S2038 T2039 | E2031-N2035 WeakPolarHBondContact O-CB 3.37Å; E2031-N2035 VanDerWaalsContact O-CG 3.27Å; E2031-N2035 PolarHBondContact O-N 3.06Å; E2031-N2035 PolarHBondContact O-ND2 3.11Å; E2031-N2035 VanDerWaalsContact O-ND2 3.13Å; S2032-N2035 PolarHBondContact O-N 3.24Å; C2033-N2035 VanDerWaalsContact C-N 3.33Å; C2033-N2035 PolarHBondContact O-N 3.22Å; N2035-L2037 VanDerWaalsContact C-N 3.33Å; N2035-L2037 PolarHBondContact O-N 2.84Å; N2035-S2038 WeakPolarHBondContact CA-OG 3.25Å; N2035-S2038 WeakPolarHBondContact O-CB 3.43Å; N2035-S2038 PolarHBondContact O-N 3.4Å; N2035-S2038 VanDerWaalsContact O-N 3.1Å; N2035-S2038 PolarHBondContact O-OG 3.09Å; N2035-S2038 VanDerWaalsContact O-OG 3.06Å; N2035-T2039 WeakPolarHBondContact O-CB 3.4Å; N2035-T2039 WeakPolarHBondContact O-CG2 3.02Å; N2035-T2039 PolarHBondContact O-N 3.3Å; N2035-T2039 VanDerWaalsContact O-N 3.17Å; N2035-T2039 PolarHBondContact O-OG1 3.26Å; N2035-T2039 VanDerWaalsContact O-OG1 3.1Å |
| 2036 | L | 90.3 | Very high | 87.1 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 171.2 | 176 | 62.5 | 0 | 0 | 0 | 111.1 | V1751 L1791 T1795 V1968 C1971 V1975 S2032 C2033 S2038 T2039 L2040 | V1751-L2036 HydrophobicContact CG1-CD2 4.13Å; V1751-L2036 HydrophobicContact CG1-CG 4.48Å; V1751-L2036 HydrophobicContact CG2-CD2 4.47Å; L1791-L2036 HydrophobicContact CD1-CD2 3.81Å; L1791-L2036 HydrophobicContact CD2-CD2 4.29Å; L1791-L2036 HydrophobicContact CG-CD2 4.35Å; T1795-L2036 HydrophobicContact CG2-CD1 4.18Å; T1795-L2036 HydrophobicContact CG2-CD2 3.52Å; T1795-L2036 HydrophobicContact CG2-CG 4.24Å; V1968-L2036 HydrophobicContact CG1-CD1 4.42Å; C1971-L2036 HydrophobicContact CB-CB 4.04Å; C1971-L2036 HydrophobicContact CB-CD1 3.55Å; C1971-L2036 HydrophobicContact CB-CG 4.39Å; V1975-L2036 HydrophobicContact CG2-CB 4.48Å; V1975-L2036 HydrophobicContact CG2-CD2 4.45Å; S2032-L2036 WeakPolarHBondContact O-CB 3.32Å; S2032-L2036 PolarHBondContact O-N 2.99Å; C2033-L2036 PolarHBondContact O-N 3.14Å; L2036-S2038 VanDerWaalsContact C-N 3.32Å; L2036-S2038 PolarHBondContact O-N 3.16Å; L2036-T2039 WeakPolarHBondContact CA-OG1 3.21Å; L2036-T2039 WeakPolarHBondContact O-CB 3.43Å; L2036-T2039 PolarHBondContact O-N 3.22Å; L2036-T2039 VanDerWaalsContact O-N 3.12Å; L2036-T2039 PolarHBondContact O-OG1 3.18Å; L2036-L2040 HydrophobicContact CD1-CD1 4.27Å; L2036-L2040 HydrophobicContact CD1-CG 4.31Å; L2036-L2040 HydrophobicContact CG-CD1 4.15Å; L2036-L2040 HydrophobicContact CG-CG 4.47Å; L2036-L2040 WeakPolarHBondContact O-CB 3.43Å; L2036-L2040 VanDerWaalsContact O-CG 3.3Å; L2036-L2040 WeakPolarHBondContact O-CG 3.42Å; L2036-L2040 PolarHBondContact O-N 3.04Å |
| 2037 | L | 87.2 | Confident | 86.9 | Confident | 25.2 Ų | 25.2 | 50.2 Ų | 50.2 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 177.6 | -161.9 | 78.6 | 0 | 0 | 0 | 111.9 | V1751 C1752 C2033 L2034 N2035 T2039 L2040 R2041 | V1751-L2037 HydrophobicContact CB-CD2 3.83Å; V1751-L2037 HydrophobicContact CG1-CB 4.49Å; V1751-L2037 HydrophobicContact CG1-CD1 4.36Å; V1751-L2037 HydrophobicContact CG1-CD2 3.5Å; V1751-L2037 HydrophobicContact CG1-CG 3.67Å; C1752-L2037 VanDerWaalsContact SG-CD2 3.56Å; C2033-L2037 WeakPolarHBondContact O-CB 3.26Å; C2033-L2037 WeakPolarHBondContact O-CG 3.32Å; C2033-L2037 PolarHBondContact O-N 3.03Å; L2034-L2037 PolarHBondContact O-N 3.12Å; N2035-L2037 VanDerWaalsContact C-N 3.33Å; N2035-L2037 PolarHBondContact O-N 2.84Å; L2037-T2039 VanDerWaalsContact C-N 3.34Å; L2037-L2040 PolarHBondContact O-N 3.23Å; L2037-R2041 WeakPolarHBondContact O-CB 3.29Å; L2037-R2041 WeakPolarHBondContact O-CD 3.47Å; L2037-R2041 VanDerWaalsContact O-CG 3.3Å; L2037-R2041 WeakPolarHBondContact O-CG 3.37Å; L2037-R2041 PolarHBondContact O-N 3.12Å |
| 2038 | S | 86.9 | Confident | 86.7 | Confident | 44.4 Ų | 44.4 | 48.2 Ų | 48.2 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 176.5 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | L2034 N2035 L2036 R2041 Q2042 | L2034-S2038 WeakPolarHBondContact O-CB 3.42Å; L2034-S2038 PolarHBondContact O-N 3.2Å; L2034-S2038 PolarHBondContact O-OG 3.26Å; N2035-S2038 WeakPolarHBondContact CA-OG 3.25Å; N2035-S2038 WeakPolarHBondContact O-CB 3.43Å; N2035-S2038 PolarHBondContact O-N 3.4Å; N2035-S2038 VanDerWaalsContact O-N 3.1Å; N2035-S2038 PolarHBondContact O-OG 3.09Å; N2035-S2038 VanDerWaalsContact O-OG 3.06Å; L2036-S2038 VanDerWaalsContact C-N 3.32Å; L2036-S2038 PolarHBondContact O-N 3.16Å; S2038-R2041 PolarHBondContact O-N 3.11Å; S2038-Q2042 VanDerWaalsContact O-CG 3.32Å; S2038-Q2042 WeakPolarHBondContact O-CG 3.21Å; S2038-Q2042 PolarHBondContact O-N 3.25Å |
| 2039 | T | 87.7 | Confident | 86.4 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 15% | 0.153 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 176 | -40.8 | 0 | 0 | 0 | 0 | 111.3 | P1967 V1968 C1971 N2035 L2036 L2037 R2041 Q2042 S2043 | P1967-T2039 HydrophobicContact CB-CG2 3.98Å; V1968-T2039 HydrophobicContact CG2-CG2 4.08Å; C1971-T2039 PolarHBondContact SG-OG1 3.22Å; C1971-T2039 VanDerWaalsContact SG-OG1 3.35Å; N2035-T2039 WeakPolarHBondContact O-CB 3.4Å; N2035-T2039 WeakPolarHBondContact O-CG2 3.02Å; N2035-T2039 PolarHBondContact O-N 3.3Å; N2035-T2039 VanDerWaalsContact O-N 3.17Å; N2035-T2039 PolarHBondContact O-OG1 3.26Å; N2035-T2039 VanDerWaalsContact O-OG1 3.1Å; L2036-T2039 WeakPolarHBondContact CA-OG1 3.21Å; L2036-T2039 WeakPolarHBondContact O-CB 3.43Å; L2036-T2039 PolarHBondContact O-N 3.22Å; L2036-T2039 VanDerWaalsContact O-N 3.12Å; L2036-T2039 PolarHBondContact O-OG1 3.18Å; L2037-T2039 VanDerWaalsContact C-N 3.34Å; T2039-R2041 VanDerWaalsContact C-N 3.32Å; T2039-R2041 PolarHBondContact O-N 3.14Å; T2039-Q2042 PolarHBondContact O-N 3.16Å; T2039-S2043 VanDerWaalsContact O-CB 3.31Å; T2039-S2043 WeakPolarHBondContact O-CB 3.39Å; T2039-S2043 PolarHBondContact O-N 3.14Å; T2039-S2043 PolarHBondContact O-OG 3Å; T2039-S2043 VanDerWaalsContact O-OG 3.06Å |
| 2040 | L | 86.3 | Confident | 86.3 | Confident | 16.6 Ų | 16.6 | 44.4 Ų | 44.4 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -37.4 | 174.5 | -71.5 | 173 | 0 | 0 | 0 | 112.3 | Y1744 V1751 A1798 I1802 V1968 L2036 L2037 Q2042 S2043 | Y1744-L2040 HydrophobicContact CE2-CD2 4.49Å; Y1744-L2040 WeakPolarHBondContact OH-CA 3.42Å; Y1744-L2040 PolarHBondContact OH-O 3.11Å; V1751-L2040 HydrophobicContact CG2-CD1 4.01Å; A1798-L2040 HydrophobicContact CB-CD2 3.6Å; I1802-L2040 HydrophobicContact CD1-CD2 4.48Å; V1968-L2040 HydrophobicContact CG1-CD2 3.85Å; V1968-L2040 HydrophobicContact CG2-CD2 4.1Å; L2036-L2040 HydrophobicContact CD1-CD1 4.27Å; L2036-L2040 HydrophobicContact CD1-CG 4.31Å; L2036-L2040 HydrophobicContact CG-CD1 4.15Å; L2036-L2040 HydrophobicContact CG-CG 4.47Å; L2036-L2040 WeakPolarHBondContact O-CB 3.43Å; L2036-L2040 VanDerWaalsContact O-CG 3.3Å; L2036-L2040 WeakPolarHBondContact O-CG 3.42Å; L2036-L2040 PolarHBondContact O-N 3.04Å; L2037-L2040 PolarHBondContact O-N 3.23Å; L2040-Q2042 VanDerWaalsContact C-N 3.34Å; L2040-Q2042 PolarHBondContact O-N 3.25Å; L2040-S2043 WeakPolarHBondContact CA-OG 3.43Å; L2040-S2043 PolarHBondContact O-N 3.16Å; L2040-S2043 PolarHBondContact O-OG 3.27Å |
| 2041 | R | 82.7 | Confident | 86.3 | Confident | 108.4 Ų | 108.4 | 43.9 Ų | 43.9 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.7 | -28.2 | 176.3 | -73.3 | 173.8 | 170.3 | 159.9 | -2.1 | 113.4 | L2037 S2038 T2039 V2044 S2183 | L2037-R2041 WeakPolarHBondContact O-CB 3.29Å; L2037-R2041 WeakPolarHBondContact O-CD 3.47Å; L2037-R2041 VanDerWaalsContact O-CG 3.3Å; L2037-R2041 WeakPolarHBondContact O-CG 3.37Å; L2037-R2041 PolarHBondContact O-N 3.12Å; S2038-R2041 PolarHBondContact O-N 3.11Å; T2039-R2041 VanDerWaalsContact C-N 3.32Å; T2039-R2041 PolarHBondContact O-N 3.14Å; R2041-V2044 VanDerWaalsContact O-CG2 3.29Å; R2041-V2044 WeakPolarHBondContact O-CG2 3.33Å; R2041-S2183 WeakPolarHBondContact CD-OG 3.38Å; R2041-S2183 VanDerWaalsContact CG-OG 3.25Å; R2041-S2183 WeakPolarHBondContact CG-OG 3.37Å; R2041-S2183 PolarHBondContact NE-O 2.94Å; R2041-S2183 PolarHBondContact NE-OG 3.34Å; R2041-S2183 VanDerWaalsContact NE-OG 3.1Å; R2041-S2183 PolarHBondContact NH2-O 3.33Å; R2041-S2183 VanDerWaalsContact NH2-O 3.15Å; R2041-S2183 PolarHBondContact NH2-OG 3.26Å |
| 2042 | Q | 81.6 | Confident | 86.2 | Confident | 157.6 Ų | 157.6 | 45.1 Ų | 45.1 | 74% | 0.736 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -80.3 | -29.5 | 174.7 | -71.4 | 175 | 10.1 | 0 | 0 | 112.5 | S2038 T2039 L2040 V2044 | S2038-Q2042 VanDerWaalsContact O-CG 3.32Å; S2038-Q2042 WeakPolarHBondContact O-CG 3.21Å; S2038-Q2042 PolarHBondContact O-N 3.25Å; T2039-Q2042 PolarHBondContact O-N 3.16Å; L2040-Q2042 VanDerWaalsContact C-N 3.34Å; L2040-Q2042 PolarHBondContact O-N 3.25Å; Q2042-V2044 VanDerWaalsContact C-N 3.33Å; Q2042-V2044 PolarHBondContact O-N 3.26Å |
| 2043 | S | 81.6 | Confident | 86.2 | Confident | 32.8 Ų | 32.8 | 44.3 Ų | 44.3 | 23% | 0.229 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -93.8 | 22.1 | -176.3 | 40.3 | 0 | 0 | 0 | 0 | 114.1 | Y1744 I1802 T2039 L2040 P2045 | Y1744-S2043 PolarHBondContact OH-O 3.26Å; Y1744-S2043 PolarHBondContact OH-OG 3.17Å; I1802-S2043 WeakPolarHBondContact CD1-OG 3.47Å; T2039-S2043 VanDerWaalsContact O-CB 3.31Å; T2039-S2043 WeakPolarHBondContact O-CB 3.39Å; T2039-S2043 PolarHBondContact O-N 3.14Å; T2039-S2043 PolarHBondContact O-OG 3Å; T2039-S2043 VanDerWaalsContact O-OG 3.06Å; L2040-S2043 WeakPolarHBondContact CA-OG 3.43Å; L2040-S2043 PolarHBondContact O-N 3.16Å; L2040-S2043 PolarHBondContact O-OG 3.27Å; S2043-P2045 VanDerWaalsContact O-CD 3.28Å; S2043-P2045 WeakPolarHBondContact O-CD 3.38Å; S2043-P2045 VanDerWaalsContact O-N 3.17Å |
| 2044 | V | 83.2 | Confident | 86.3 | Confident | 18.2 Ų | 18.2 | 46.5 Ų | 46.5 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | trans | -57.2 | 121.3 | -178.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | Y1744 R2041 Q2042 G2046 L2047 W2120 L2179 | Y1744-V2044 HydrophobicContact CE1-CG2 4.17Å; R2041-V2044 VanDerWaalsContact O-CG2 3.29Å; R2041-V2044 WeakPolarHBondContact O-CG2 3.33Å; Q2042-V2044 VanDerWaalsContact C-N 3.33Å; Q2042-V2044 PolarHBondContact O-N 3.26Å; V2044-G2046 PolarHBondContact O-N 3.2Å; V2044-L2047 HydrophobicContact CB-CB 4.24Å; V2044-L2047 HydrophobicContact CB-CD2 4.44Å; V2044-L2047 HydrophobicContact CG1-CB 4.28Å; V2044-L2047 WeakPolarHBondContact O-CB 3.44Å; V2044-L2047 PolarHBondContact O-N 3.35Å; V2044-W2120 HydrophobicContact CB-CZ3 4.49Å; V2044-W2120 HydrophobicContact CG1-CE3 3.81Å; V2044-W2120 HydrophobicContact CG1-CH2 4.47Å; V2044-W2120 HydrophobicContact CG1-CZ3 3.62Å; V2044-W2120 HydrophobicContact CG2-CZ3 4.42Å; V2044-L2179 HydrophobicContact CG1-CB 4.25Å; V2044-L2179 HydrophobicContact CG1-CD2 4.32Å | ||
| 2045 | P | 81.4 | Confident | 86.4 | Confident | 9.8 Ų | 9.8 | 49.4 Ų | 49.4 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.7 | 175.8 | -30 | 36.6 | 0 | 0 | 0 | 113.1 | Y1744 I1802 A1805 S2043 L2047 W2120 | Y1744-P2045 HydrophobicContact CD1-CG 4.29Å; Y1744-P2045 HydrophobicContact CD2-CG 3.77Å; Y1744-P2045 VanDerWaalsContact CE1-CD 3.48Å; Y1744-P2045 HydrophobicContact CE1-CG 4.45Å; Y1744-P2045 HydrophobicContact CE2-CG 4.02Å; Y1744-P2045 HydrophobicContact CG-CG 3.9Å; Y1744-P2045 VanDerWaalsContact CZ-CD 3.47Å; I1802-P2045 HydrophobicContact CG1-CG 4.39Å; A1805-P2045 HydrophobicContact CB-CB 3.67Å; A1805-P2045 HydrophobicContact CB-CG 4.32Å; S2043-P2045 VanDerWaalsContact O-CD 3.28Å; S2043-P2045 WeakPolarHBondContact O-CD 3.38Å; S2043-P2045 VanDerWaalsContact O-N 3.17Å; P2045-L2047 VanDerWaalsContact C-N 3.29Å; P2045-L2047 PolarHBondContact O-N 3.12Å; P2045-L2047 VanDerWaalsContact O-N 3.13Å; P2045-W2120 HydrophobicContact CB-CB 3.97Å; P2045-W2120 HydrophobicContact CG-CB 4.35Å |
| 2046 | G | 81 | Confident | 86.5 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -19.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V2044 S2048 T2049 C2050 | V2044-G2046 PolarHBondContact O-N 3.2Å; G2046-S2048 PolarHBondContact O-N 3.32Å; G2046-T2049 VanDerWaalsContact CA-OG1 3.3Å; G2046-T2049 WeakPolarHBondContact CA-OG1 3.49Å; G2046-T2049 CarbonylContact O-C 3.56Å; G2046-T2049 WeakPolarHBondContact O-CA 3.44Å; G2046-T2049 VanDerWaalsContact O-CB 3.25Å; G2046-T2049 WeakPolarHBondContact O-CB 3.42Å; G2046-T2049 PolarHBondContact O-N 3.15Å; G2046-T2049 VanDerWaalsContact O-N 3.13Å; G2046-T2049 PolarHBondContact O-OG1 3.48Å; G2046-C2050 PolarHBondContact O-N 3.27Å; G2046-C2050 PolarHBondContact O-SG 3.11Å; G2046-C2050 VanDerWaalsContact O-SG 3.37Å |
| 2047 | L | 85.3 | Confident | 86.6 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | -176.9 | -177.2 | 62.1 | 0 | 0 | 0 | 112.7 | V2044 P2045 T2049 C2050 D2051 L2179 K2180 | V2044-L2047 HydrophobicContact CB-CB 4.24Å; V2044-L2047 HydrophobicContact CB-CD2 4.44Å; V2044-L2047 HydrophobicContact CG1-CB 4.28Å; V2044-L2047 WeakPolarHBondContact O-CB 3.44Å; V2044-L2047 PolarHBondContact O-N 3.35Å; P2045-L2047 VanDerWaalsContact C-N 3.29Å; P2045-L2047 PolarHBondContact O-N 3.12Å; P2045-L2047 VanDerWaalsContact O-N 3.13Å; L2047-T2049 VanDerWaalsContact C-N 3.28Å; L2047-T2049 PolarHBondContact O-N 3.23Å; L2047-C2050 WeakPolarHBondContact O-CB 3.39Å; L2047-C2050 PolarHBondContact O-N 3.11Å; L2047-D2051 PolarHBondContact O-N 3.12Å; L2047-D2051 VanDerWaalsContact O-N 3.11Å; L2047-L2179 HydrophobicContact CD1-CB 4.41Å; L2047-K2180 HydrophobicContact CD1-CG 4.21Å; L2047-K2180 HydrophobicContact CD2-CG 4.47Å |
| 2048 | S | 84.4 | Confident | 86.9 | Confident | 74.6 Ų | 74.6 | 49.4 Ų | 49.4 | 52% | 0.522 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -28.1 | 175.3 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | G2046 K2052 | G2046-S2048 PolarHBondContact O-N 3.32Å; S2048-K2052 WeakPolarHBondContact O-CD 3.27Å; S2048-K2052 VanDerWaalsContact O-CG 3.3Å; S2048-K2052 WeakPolarHBondContact O-CG 3.35Å; S2048-K2052 PolarHBondContact O-N 3.16Å; S2048-K2052 VanDerWaalsContact O-N 3.11Å |
| 2049 | T | 84.9 | Confident | 87.2 | Confident | 10.8 Ų | 10.8 | 53.7 Ų | 53.7 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.1 | -40.9 | 173.8 | -36.7 | 0 | 0 | 0 | 0 | 110.9 | G2046 L2047 D2051 K2052 I2053 L2127 | G2046-T2049 VanDerWaalsContact CA-OG1 3.3Å; G2046-T2049 WeakPolarHBondContact CA-OG1 3.49Å; G2046-T2049 CarbonylContact O-C 3.56Å; G2046-T2049 WeakPolarHBondContact O-CA 3.44Å; G2046-T2049 VanDerWaalsContact O-CB 3.25Å; G2046-T2049 WeakPolarHBondContact O-CB 3.42Å; G2046-T2049 PolarHBondContact O-N 3.15Å; G2046-T2049 VanDerWaalsContact O-N 3.13Å; G2046-T2049 PolarHBondContact O-OG1 3.48Å; L2047-T2049 VanDerWaalsContact C-N 3.28Å; L2047-T2049 PolarHBondContact O-N 3.23Å; T2049-D2051 VanDerWaalsContact C-N 3.34Å; T2049-D2051 PolarHBondContact O-N 3.04Å; T2049-K2052 WeakPolarHBondContact O-CB 3.34Å; T2049-K2052 PolarHBondContact O-N 3.07Å; T2049-K2052 VanDerWaalsContact O-N 3.16Å; T2049-I2053 HydrophobicContact CG2-CD1 4.06Å; T2049-I2053 HydrophobicContact CG2-CG1 4.46Å; T2049-I2053 WeakPolarHBondContact O-CD1 3.35Å; T2049-I2053 VanDerWaalsContact O-CG1 3.27Å; T2049-I2053 WeakPolarHBondContact O-CG1 3.39Å; T2049-I2053 PolarHBondContact O-N 3.17Å; T2049-L2127 HydrophobicContact CG2-CB 3.95Å |
| 2050 | C | 88.2 | Confident | 87.5 | Confident | 1.2 Ų | 1.2 | 53 Ų | 53 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 172.7 | -66 | 0 | 0 | 0 | 0 | 111.4 | G2046 L2047 K2052 I2053 Q2054 L2127 I2172 | G2046-C2050 PolarHBondContact O-N 3.27Å; G2046-C2050 PolarHBondContact O-SG 3.11Å; G2046-C2050 VanDerWaalsContact O-SG 3.37Å; L2047-C2050 WeakPolarHBondContact O-CB 3.39Å; L2047-C2050 PolarHBondContact O-N 3.11Å; C2050-K2052 VanDerWaalsContact C-N 3.32Å; C2050-K2052 PolarHBondContact O-N 3.17Å; C2050-I2053 PolarHBondContact O-N 3.09Å; C2050-I2053 VanDerWaalsContact O-N 3.11Å; C2050-Q2054 WeakPolarHBondContact O-CB 3.42Å; C2050-Q2054 PolarHBondContact O-N 3.26Å; C2050-L2127 VanDerWaalsContact SG-CD1 3.56Å; C2050-I2172 HydrophobicContact CB-CG2 3.98Å |
| 2051 | D | 88.8 | Confident | 87.8 | Confident | 62.8 Ų | 62.8 | 52.9 Ų | 52.9 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 178 | -85.1 | 3.5 | 0 | 0 | 0 | 112.3 | L2047 T2049 Q2054 K2055 | L2047-D2051 PolarHBondContact O-N 3.12Å; L2047-D2051 VanDerWaalsContact O-N 3.11Å; T2049-D2051 VanDerWaalsContact C-N 3.34Å; T2049-D2051 PolarHBondContact O-N 3.04Å; D2051-Q2054 PolarHBondContact O-N 3.36Å; D2051-K2055 VanDerWaalsContact O-CD 3.24Å; D2051-K2055 WeakPolarHBondContact O-CD 3.29Å; D2051-K2055 VanDerWaalsContact O-CG 3.29Å; D2051-K2055 WeakPolarHBondContact O-CG 3.2Å; D2051-K2055 PolarHBondContact O-N 3.2Å; D2051-K2055 VanDerWaalsContact O-N 3.12Å; D2051-K2055 IonicContact OD1-NZ 2.66Å; D2051-K2055 WeakPolarHBondContact OD2-CE 3.23Å; D2051-K2055 IonicContact OD2-NZ 2.95Å; D2051-K2055 PolarHBondContact OD2-NZ 2.7Å |
| 2052 | K | 89.1 | Confident | 88.1 | Confident | 127 Ų | 127 | 52.1 Ų | 52.1 | 55% | 0.552 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.4 | -44.7 | 173.2 | -76.8 | 173.2 | -177.7 | 176.5 | 0 | 111.6 | S2048 T2049 C2050 Q2054 K2055 T2056 | S2048-K2052 WeakPolarHBondContact O-CD 3.27Å; S2048-K2052 VanDerWaalsContact O-CG 3.3Å; S2048-K2052 WeakPolarHBondContact O-CG 3.35Å; S2048-K2052 PolarHBondContact O-N 3.16Å; S2048-K2052 VanDerWaalsContact O-N 3.11Å; T2049-K2052 WeakPolarHBondContact O-CB 3.34Å; T2049-K2052 PolarHBondContact O-N 3.07Å; T2049-K2052 VanDerWaalsContact O-N 3.16Å; C2050-K2052 VanDerWaalsContact C-N 3.32Å; C2050-K2052 PolarHBondContact O-N 3.17Å; K2052-Q2054 VanDerWaalsContact C-N 3.35Å; K2052-Q2054 PolarHBondContact O-N 3.37Å; K2052-K2055 WeakPolarHBondContact O-CB 3.48Å; K2052-K2055 PolarHBondContact O-N 3.09Å; K2052-T2056 WeakPolarHBondContact O-CB 3.45Å; K2052-T2056 WeakPolarHBondContact O-CG2 3.35Å; K2052-T2056 PolarHBondContact O-N 3.2Å; K2052-T2056 PolarHBondContact O-OG1 3.01Å |
| 2053 | I | 90.7 | Very high | 88.5 | Confident | 0.4 Ų | 0.4 | 47.8 Ų | 47.8 | 0% | 0.002 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.1 | -65.3 | 160.7 | 0 | 0 | 0 | 110.1 | T2049 C2050 K2055 T2056 I2057 L2127 L2134 I2172 | T2049-I2053 HydrophobicContact CG2-CD1 4.06Å; T2049-I2053 HydrophobicContact CG2-CG1 4.46Å; T2049-I2053 WeakPolarHBondContact O-CD1 3.35Å; T2049-I2053 VanDerWaalsContact O-CG1 3.27Å; T2049-I2053 WeakPolarHBondContact O-CG1 3.39Å; T2049-I2053 PolarHBondContact O-N 3.17Å; C2050-I2053 PolarHBondContact O-N 3.09Å; C2050-I2053 VanDerWaalsContact O-N 3.11Å; I2053-K2055 VanDerWaalsContact C-N 3.31Å; I2053-K2055 PolarHBondContact O-N 3.21Å; I2053-T2056 VanDerWaalsContact CA-OG1 3.29Å; I2053-T2056 WeakPolarHBondContact CA-OG1 3.34Å; I2053-T2056 CarbonylContact O-C 3.49Å; I2053-T2056 WeakPolarHBondContact O-CA 3.27Å; I2053-T2056 WeakPolarHBondContact O-CB 3.35Å; I2053-T2056 PolarHBondContact O-N 3.17Å; I2053-T2056 PolarHBondContact O-OG1 3.31Å; I2053-I2057 HydrophobicContact CG2-CD1 3.65Å; I2053-I2057 HydrophobicContact CG2-CG1 4.06Å; I2053-I2057 WeakPolarHBondContact O-CG1 3.4Å; I2053-I2057 PolarHBondContact O-N 3.32Å; I2053-L2127 HydrophobicContact CD1-CB 3.81Å; I2053-L2127 HydrophobicContact CD1-CD2 4.01Å; I2053-L2127 HydrophobicContact CD1-CG 4.45Å; I2053-L2127 VanDerWaalsContact CD1-O 3.26Å; I2053-L2127 WeakPolarHBondContact CD1-O 3.35Å; I2053-L2134 HydrophobicContact CG2-CD1 4.05Å; I2053-I2172 HydrophobicContact CB-CD1 4.06Å; I2053-I2172 HydrophobicContact CB-CG2 4.36Å; I2053-I2172 HydrophobicContact CD1-CD1 4.09Å; I2053-I2172 HydrophobicContact CG2-CB 4.5Å; I2053-I2172 HydrophobicContact CG2-CD1 3.81Å; I2053-I2172 HydrophobicContact CG2-CG1 3.89Å; I2053-I2172 HydrophobicContact CG2-CG2 4.2Å |
| 2054 | Q | 90.9 | Very high | 88.8 | Confident | 60.8 Ų | 60.8 | 46.2 Ų | 46.2 | 28% | 0.284 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 178.6 | -163 | -173 | 23.7 | 0 | 0 | 111.5 | C2050 D2051 K2052 T2056 I2057 N2058 D2173 | C2050-Q2054 WeakPolarHBondContact O-CB 3.42Å; C2050-Q2054 PolarHBondContact O-N 3.26Å; D2051-Q2054 PolarHBondContact O-N 3.36Å; K2052-Q2054 VanDerWaalsContact C-N 3.35Å; K2052-Q2054 PolarHBondContact O-N 3.37Å; Q2054-T2056 VanDerWaalsContact C-N 3.32Å; Q2054-T2056 PolarHBondContact O-N 3.09Å; Q2054-I2057 PolarHBondContact O-N 3.29Å; Q2054-N2058 WeakPolarHBondContact O-CB 3.36Å; Q2054-N2058 VanDerWaalsContact O-CG 3.31Å; Q2054-N2058 PolarHBondContact O-N 3.17Å; Q2054-N2058 PolarHBondContact O-ND2 3.22Å; Q2054-N2058 VanDerWaalsContact O-ND2 3.17Å; Q2054-D2173 VanDerWaalsContact NE2-CG 3.33Å; Q2054-D2173 PolarHBondContact NE2-OD1 3.24Å; Q2054-D2173 PolarHBondContact NE2-OD2 3.46Å |
| 2055 | K | 92.2 | Very high | 88.9 | Confident | 145.6 Ų | 145.6 | 47.8 Ų | 47.8 | 63% | 0.633 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.9 | -40.2 | 172.9 | -71.4 | 170.1 | -175.1 | 169.5 | 0 | 112.3 | D2051 K2052 I2053 K2059 | D2051-K2055 VanDerWaalsContact O-CD 3.24Å; D2051-K2055 WeakPolarHBondContact O-CD 3.29Å; D2051-K2055 VanDerWaalsContact O-CG 3.29Å; D2051-K2055 WeakPolarHBondContact O-CG 3.2Å; D2051-K2055 PolarHBondContact O-N 3.2Å; D2051-K2055 VanDerWaalsContact O-N 3.12Å; D2051-K2055 IonicContact OD1-NZ 2.66Å; D2051-K2055 WeakPolarHBondContact OD2-CE 3.23Å; D2051-K2055 IonicContact OD2-NZ 2.95Å; D2051-K2055 PolarHBondContact OD2-NZ 2.7Å; K2052-K2055 WeakPolarHBondContact O-CB 3.48Å; K2052-K2055 PolarHBondContact O-N 3.09Å; I2053-K2055 VanDerWaalsContact C-N 3.31Å; I2053-K2055 PolarHBondContact O-N 3.21Å; K2055-K2059 PolarHBondContact O-N 3.13Å; K2055-K2059 VanDerWaalsContact O-N 3.1Å |
| 2056 | T | 92.3 | Very high | 89.1 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 177.3 | -46.1 | 0 | 0 | 0 | 0 | 111.4 | K2052 I2053 Q2054 N2058 K2059 L2060 P2135 | K2052-T2056 WeakPolarHBondContact O-CB 3.45Å; K2052-T2056 WeakPolarHBondContact O-CG2 3.35Å; K2052-T2056 PolarHBondContact O-N 3.2Å; K2052-T2056 PolarHBondContact O-OG1 3.01Å; I2053-T2056 VanDerWaalsContact CA-OG1 3.29Å; I2053-T2056 WeakPolarHBondContact CA-OG1 3.34Å; I2053-T2056 CarbonylContact O-C 3.49Å; I2053-T2056 WeakPolarHBondContact O-CA 3.27Å; I2053-T2056 WeakPolarHBondContact O-CB 3.35Å; I2053-T2056 PolarHBondContact O-N 3.17Å; I2053-T2056 PolarHBondContact O-OG1 3.31Å; Q2054-T2056 VanDerWaalsContact C-N 3.32Å; Q2054-T2056 PolarHBondContact O-N 3.09Å; T2056-N2058 PolarHBondContact O-N 3.35Å; T2056-K2059 WeakPolarHBondContact O-CB 3.45Å; T2056-K2059 PolarHBondContact O-N 3.15Å; T2056-L2060 HydrophobicContact CG2-CD1 3.94Å; T2056-L2060 HydrophobicContact CG2-CG 4.3Å; T2056-L2060 WeakPolarHBondContact O-CB 3.33Å; T2056-L2060 VanDerWaalsContact O-CG 3.26Å; T2056-L2060 WeakPolarHBondContact O-CG 3.34Å; T2056-L2060 PolarHBondContact O-N 3.1Å; T2056-P2135 HydrophobicContact CG2-CG 4.11Å |
| 2057 | I | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 177.1 | -68.1 | 171.5 | 0 | 0 | 0 | 110.5 | I2053 Q2054 K2059 L2060 L2061 L2134 L2165 M2168 Q2169 I2172 | I2053-I2057 HydrophobicContact CG2-CD1 3.65Å; I2053-I2057 HydrophobicContact CG2-CG1 4.06Å; I2053-I2057 WeakPolarHBondContact O-CG1 3.4Å; I2053-I2057 PolarHBondContact O-N 3.32Å; Q2054-I2057 PolarHBondContact O-N 3.29Å; I2057-K2059 VanDerWaalsContact C-N 3.28Å; I2057-K2059 PolarHBondContact O-N 3.3Å; I2057-L2060 CarbonylContact O-C 3.59Å; I2057-L2060 PolarHBondContact O-N 3.03Å; I2057-L2060 VanDerWaalsContact O-N 3.12Å; I2057-L2061 HydrophobicContact CG2-CD1 3.82Å; I2057-L2061 HydrophobicContact CG2-CG 4.12Å; I2057-L2061 WeakPolarHBondContact O-CB 3.41Å; I2057-L2061 WeakPolarHBondContact O-CG 3.34Å; I2057-L2061 PolarHBondContact O-N 3.15Å; I2057-L2134 HydrophobicContact CD1-CD1 4.14Å; I2057-L2134 HydrophobicContact CG1-CD1 3.88Å; I2057-L2165 HydrophobicContact CG2-CB 4.38Å; I2057-M2168 HydrophobicContact CD1-CB 4.33Å; I2057-M2168 HydrophobicContact CD1-CG 3.8Å; I2057-Q2169 HydrophobicContact CD1-CB 4.38Å; I2057-Q2169 HydrophobicContact CG2-CB 4.14Å; I2057-I2172 HydrophobicContact CD1-CD1 3.62Å |
| 2058 | N | 92.7 | Very high | 88.3 | Confident | 67.4 Ų | 67.4 | 54.9 Ų | 54.9 | 36% | 0.36 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 176.5 | -76.7 | -41.2 | 0 | 0 | 0 | 112.2 | Q2054 T2056 N2062 Q2169 | Q2054-N2058 WeakPolarHBondContact O-CB 3.36Å; Q2054-N2058 VanDerWaalsContact O-CG 3.31Å; Q2054-N2058 PolarHBondContact O-N 3.17Å; Q2054-N2058 PolarHBondContact O-ND2 3.22Å; Q2054-N2058 VanDerWaalsContact O-ND2 3.17Å; T2056-N2058 PolarHBondContact O-N 3.35Å; N2058-N2062 VanDerWaalsContact O-CG 3.27Å; N2058-N2062 PolarHBondContact O-N 3.24Å; N2058-N2062 VanDerWaalsContact O-N 3.14Å; N2058-N2062 PolarHBondContact O-ND2 3.36Å; N2058-Q2169 PolarHBondContact OD1-NE2 3.15Å |
| 2059 | K | 93.3 | Very high | 87.8 | Confident | 135.8 Ų | 135.8 | 56.4 Ų | 56.4 | 59% | 0.59 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.3 | -47.7 | 172.9 | -176.8 | -176.8 | 173.8 | -177.1 | 0 | 111.6 | K2055 T2056 I2057 L2061 N2062 D2063 | K2055-K2059 PolarHBondContact O-N 3.13Å; K2055-K2059 VanDerWaalsContact O-N 3.1Å; T2056-K2059 WeakPolarHBondContact O-CB 3.45Å; T2056-K2059 PolarHBondContact O-N 3.15Å; I2057-K2059 VanDerWaalsContact C-N 3.28Å; I2057-K2059 PolarHBondContact O-N 3.3Å; K2059-L2061 VanDerWaalsContact C-N 3.32Å; K2059-L2061 PolarHBondContact O-N 3.09Å; K2059-N2062 CarbonylContact O-C 3.59Å; K2059-N2062 WeakPolarHBondContact O-CA 3.46Å; K2059-N2062 WeakPolarHBondContact O-CB 3.26Å; K2059-N2062 PolarHBondContact O-N 3.06Å; K2059-N2062 VanDerWaalsContact O-N 3.13Å; K2059-D2063 VanDerWaalsContact CE-OD2 3.31Å; K2059-D2063 WeakPolarHBondContact CE-OD2 3.48Å; K2059-D2063 VanDerWaalsContact O-CG 3.32Å; K2059-D2063 PolarHBondContact O-N 3.26Å |
| 2060 | L | 92.7 | Very high | 87 | Confident | 10.8 Ų | 10.8 | 58.7 Ų | 58.7 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -35.8 | -178.9 | -68.9 | 175.3 | 0 | 0 | 0 | 112.7 | T2056 I2057 N2062 D2063 L2064 L2134 P2135 V2138 L2165 | T2056-L2060 HydrophobicContact CG2-CD1 3.94Å; T2056-L2060 HydrophobicContact CG2-CG 4.3Å; T2056-L2060 WeakPolarHBondContact O-CB 3.33Å; T2056-L2060 VanDerWaalsContact O-CG 3.26Å; T2056-L2060 WeakPolarHBondContact O-CG 3.34Å; T2056-L2060 PolarHBondContact O-N 3.1Å; I2057-L2060 CarbonylContact O-C 3.59Å; I2057-L2060 PolarHBondContact O-N 3.03Å; I2057-L2060 VanDerWaalsContact O-N 3.12Å; L2060-N2062 VanDerWaalsContact C-N 3.33Å; L2060-D2063 PolarHBondContact O-N 3.13Å; L2060-L2064 VanDerWaalsContact O-CB 3.26Å; L2060-L2064 WeakPolarHBondContact O-CB 3.39Å; L2060-L2064 PolarHBondContact O-N 2.96Å; L2060-L2134 HydrophobicContact CD1-CB 3.87Å; L2060-P2135 HydrophobicContact CD1-CG 4.32Å; L2060-P2135 HydrophobicContact CD2-CB 4.34Å; L2060-V2138 HydrophobicContact CB-CB 4.49Å; L2060-V2138 HydrophobicContact CB-CG1 4.36Å; L2060-V2138 HydrophobicContact CB-CG2 4.14Å; L2060-V2138 HydrophobicContact CD1-CB 4.5Å; L2060-V2138 HydrophobicContact CD1-CG2 4.09Å; L2060-V2138 HydrophobicContact CD2-CB 4.12Å; L2060-V2138 HydrophobicContact CD2-CG1 4.24Å; L2060-V2138 HydrophobicContact CD2-CG2 4.44Å; L2060-V2138 HydrophobicContact CG-CG2 4.43Å; L2060-L2165 HydrophobicContact CB-CD1 4.4Å |
| 2061 | L | 92.8 | Very high | 85.7 | Confident | 14.4 Ų | 14.4 | 59.6 Ų | 59.6 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 171.4 | -90.4 | 157.7 | 0 | 0 | 0 | 110.8 | I2057 K2059 L2064 N2065 R2162 L2165 E2166 | I2057-L2061 HydrophobicContact CG2-CD1 3.82Å; I2057-L2061 HydrophobicContact CG2-CG 4.12Å; I2057-L2061 WeakPolarHBondContact O-CB 3.41Å; I2057-L2061 WeakPolarHBondContact O-CG 3.34Å; I2057-L2061 PolarHBondContact O-N 3.15Å; K2059-L2061 VanDerWaalsContact C-N 3.32Å; K2059-L2061 PolarHBondContact O-N 3.09Å; L2061-L2064 PolarHBondContact O-N 3.17Å; L2061-N2065 WeakPolarHBondContact O-CB 3.34Å; L2061-N2065 PolarHBondContact O-N 3.27Å; L2061-N2065 PolarHBondContact O-ND2 3.17Å; L2061-R2162 HydrophobicContact CD1-CG 3.86Å; L2061-R2162 HydrophobicContact CD2-CG 3.86Å; L2061-L2165 HydrophobicContact CD2-CB 3.81Å; L2061-L2165 HydrophobicContact CD2-CD1 3.87Å; L2061-L2165 HydrophobicContact CD2-CG 4.48Å; L2061-L2165 HydrophobicContact CG-CB 4.29Å; L2061-L2165 HydrophobicContact CG-CD1 4.22Å; L2061-E2166 HydrophobicContact CD1-CG 4.18Å; L2061-E2166 HydrophobicContact CD2-CG 4.32Å |
| 2062 | N | 90.9 | Very high | 84.3 | Confident | 90.8 Ų | 90.8 | 60.9 Ų | 60.9 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 174.9 | -69.8 | -28.4 | 0 | 0 | 0 | 112.2 | N2058 K2059 L2060 L2064 N2065 H2066 | N2058-N2062 VanDerWaalsContact O-CG 3.27Å; N2058-N2062 PolarHBondContact O-N 3.24Å; N2058-N2062 VanDerWaalsContact O-N 3.14Å; N2058-N2062 PolarHBondContact O-ND2 3.36Å; K2059-N2062 CarbonylContact O-C 3.59Å; K2059-N2062 WeakPolarHBondContact O-CA 3.46Å; K2059-N2062 WeakPolarHBondContact O-CB 3.26Å; K2059-N2062 PolarHBondContact O-N 3.06Å; K2059-N2062 VanDerWaalsContact O-N 3.13Å; L2060-N2062 VanDerWaalsContact C-N 3.33Å; N2062-L2064 VanDerWaalsContact C-N 3.29Å; N2062-L2064 PolarHBondContact O-N 3.28Å; N2062-N2065 PolarHBondContact O-N 2.94Å; N2062-H2066 WeakPolarHBondContact O-CB 3.38Å; N2062-H2066 PolarHBondContact O-CD2 3.25Å; N2062-H2066 VanDerWaalsContact O-CD2 3.24Å; N2062-H2066 PolarHBondContact O-N 3.07Å |
| 2063 | D | 88.3 | Confident | 82.6 | Confident | 67.4 Ų | 67.4 | 61.3 Ų | 61.3 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 175.6 | -68.4 | -19 | 0 | 0 | 0 | 110.8 | K2059 L2060 H2066 A2067 | K2059-D2063 VanDerWaalsContact CE-OD2 3.31Å; K2059-D2063 WeakPolarHBondContact CE-OD2 3.48Å; K2059-D2063 VanDerWaalsContact O-CG 3.32Å; K2059-D2063 PolarHBondContact O-N 3.26Å; L2060-D2063 PolarHBondContact O-N 3.13Å; D2063-H2066 PolarHBondContact O-N 3.31Å; D2063-A2067 VanDerWaalsContact O-CB 3.32Å; D2063-A2067 WeakPolarHBondContact O-CB 3.41Å; D2063-A2067 PolarHBondContact O-N 3.09Å |
| 2064 | L | 88.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 175.7 | -173.1 | 65.8 | 0 | 0 | 0 | 112.1 | L2060 L2061 N2062 H2066 A2067 I2068 V2138 I2142 N2158 T2161 R2162 L2165 | L2060-L2064 VanDerWaalsContact O-CB 3.26Å; L2060-L2064 WeakPolarHBondContact O-CB 3.39Å; L2060-L2064 PolarHBondContact O-N 2.96Å; L2061-L2064 PolarHBondContact O-N 3.17Å; N2062-L2064 VanDerWaalsContact C-N 3.29Å; N2062-L2064 PolarHBondContact O-N 3.28Å; L2064-H2066 VanDerWaalsContact C-N 3.33Å; L2064-H2066 PolarHBondContact O-N 3.15Å; L2064-A2067 WeakPolarHBondContact O-CB 3.38Å; L2064-A2067 PolarHBondContact O-N 3.15Å; L2064-A2067 VanDerWaalsContact O-N 3.14Å; L2064-I2068 HydrophobicContact CG-CD1 4.32Å; L2064-I2068 VanDerWaalsContact O-CG1 3.3Å; L2064-I2068 WeakPolarHBondContact O-CG1 3.47Å; L2064-I2068 PolarHBondContact O-N 3.08Å; L2064-V2138 HydrophobicContact CB-CG1 4.41Å; L2064-V2138 HydrophobicContact CD1-CG1 4.47Å; L2064-I2142 HydrophobicContact CD1-CD1 4.37Å; L2064-I2142 HydrophobicContact CD1-CG1 3.95Å; L2064-N2158 HydrophobicContact CD1-CB 4.41Å; L2064-N2158 WeakPolarHBondContact CD1-OD1 3.31Å; L2064-N2158 WeakPolarHBondContact CD2-OD1 3.42Å; L2064-N2158 WeakPolarHBondContact CG-OD1 3.33Å; L2064-T2161 HydrophobicContact CD1-CG2 4.36Å; L2064-T2161 HydrophobicContact CD2-CG2 4.14Å; L2064-R2162 HydrophobicContact CD2-CB 3.73Å; L2064-R2162 HydrophobicContact CD2-CG 4.36Å; L2064-L2165 HydrophobicContact CD2-CD1 4.14Å |
| 2065 | N | 86.3 | Confident | 78.8 | Confident | 50.4 Ų | 50.4 | 65 Ų | 65 | 27% | 0.27 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.3 | -67.7 | -33.1 | 0 | 0 | 0 | 111.7 | L2061 N2062 A2067 I2068 L2069 R2162 | L2061-N2065 WeakPolarHBondContact O-CB 3.34Å; L2061-N2065 PolarHBondContact O-N 3.27Å; L2061-N2065 PolarHBondContact O-ND2 3.17Å; N2062-N2065 PolarHBondContact O-N 2.94Å; N2065-A2067 VanDerWaalsContact C-N 3.33Å; N2065-A2067 PolarHBondContact O-N 3.38Å; N2065-I2068 PolarHBondContact O-N 3.26Å; N2065-L2069 WeakPolarHBondContact O-CG 3.31Å; N2065-L2069 PolarHBondContact O-N 3.01Å; N2065-R2162 PolarHBondContact ND2-NH1 3.28Å; N2065-R2162 PolarHBondContact OD1-NH1 3Å |
| 2066 | H | 83.6 | Confident | 76.6 | Confident | 128.8 Ų | 128.8 | 66.9 Ų | 66.9 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.4 | -37.9 | 173.9 | -80 | -59 | 0 | 0 | 0 | 112.2 | N2062 D2063 L2064 I2068 L2069 S2070 | N2062-H2066 WeakPolarHBondContact O-CB 3.38Å; N2062-H2066 PolarHBondContact O-CD2 3.25Å; N2062-H2066 VanDerWaalsContact O-CD2 3.24Å; N2062-H2066 PolarHBondContact O-N 3.07Å; D2063-H2066 PolarHBondContact O-N 3.31Å; L2064-H2066 VanDerWaalsContact C-N 3.33Å; L2064-H2066 PolarHBondContact O-N 3.15Å; H2066-I2068 VanDerWaalsContact C-N 3.34Å; H2066-I2068 PolarHBondContact O-N 3.01Å; H2066-L2069 PolarHBondContact O-N 3.32Å; H2066-S2070 VanDerWaalsContact O-CB 3.3Å; H2066-S2070 WeakPolarHBondContact O-CB 3.37Å; H2066-S2070 PolarHBondContact O-N 3.14Å; H2066-S2070 PolarHBondContact O-OG 3.15Å |
| 2067 | A | 77.7 | Confident | 74.2 | Confident | 9.2 Ų | 9.2 | 70.1 Ų | 70.1 | 8% | 0.076 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D2063 L2064 N2065 L2069 S2070 V2071 I2142 | D2063-A2067 VanDerWaalsContact O-CB 3.32Å; D2063-A2067 WeakPolarHBondContact O-CB 3.41Å; D2063-A2067 PolarHBondContact O-N 3.09Å; L2064-A2067 WeakPolarHBondContact O-CB 3.38Å; L2064-A2067 PolarHBondContact O-N 3.15Å; L2064-A2067 VanDerWaalsContact O-N 3.14Å; N2065-A2067 VanDerWaalsContact C-N 3.33Å; N2065-A2067 PolarHBondContact O-N 3.38Å; A2067-L2069 VanDerWaalsContact C-N 3.32Å; A2067-L2069 PolarHBondContact O-N 3.09Å; A2067-S2070 WeakPolarHBondContact CA-OG 3.38Å; A2067-S2070 PolarHBondContact O-N 3.09Å; A2067-S2070 VanDerWaalsContact O-N 3.12Å; A2067-S2070 PolarHBondContact O-OG 3.26Å; A2067-V2071 WeakPolarHBondContact O-CB 3.42Å; A2067-V2071 VanDerWaalsContact O-CG2 3.24Å; A2067-V2071 WeakPolarHBondContact O-CG2 3.46Å; A2067-V2071 PolarHBondContact O-N 3.07Å; A2067-I2142 HydrophobicContact CB-CB 4.29Å; A2067-I2142 HydrophobicContact CB-CD1 3.96Å; A2067-I2142 HydrophobicContact CB-CG1 3.83Å; A2067-I2142 HydrophobicContact CB-CG2 3.79Å |
| 2068 | I | 73.1 | Confident | 71.9 | Confident | 55.4 Ų | 55.4 | 78.6 Ų | 78.6 | 28% | 0.284 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.9 | -46.7 | 176.6 | -65 | 165.9 | 0 | 0 | 0 | 111.1 | L2064 N2065 H2066 S2070 V2071 N2072 N2158 | L2064-I2068 HydrophobicContact CG-CD1 4.32Å; L2064-I2068 VanDerWaalsContact O-CG1 3.3Å; L2064-I2068 WeakPolarHBondContact O-CG1 3.47Å; L2064-I2068 PolarHBondContact O-N 3.08Å; N2065-I2068 PolarHBondContact O-N 3.26Å; H2066-I2068 VanDerWaalsContact C-N 3.34Å; H2066-I2068 PolarHBondContact O-N 3.01Å; I2068-S2070 VanDerWaalsContact C-N 3.32Å; I2068-S2070 PolarHBondContact O-N 3.2Å; I2068-V2071 PolarHBondContact O-N 3.11Å; I2068-N2072 WeakPolarHBondContact O-CB 3.39Å; I2068-N2072 VanDerWaalsContact O-CG 3.26Å; I2068-N2072 PolarHBondContact O-N 3Å; I2068-N2072 VanDerWaalsContact O-N 3.15Å; I2068-N2072 PolarHBondContact O-ND2 3.2Å; I2068-N2158 HydrophobicContact CD1-CB 4.14Å; I2068-N2158 HydrophobicContact CG1-CB 4.04Å; I2068-N2158 WeakPolarHBondContact CG1-ND2 3.4Å |
| 2069 | L | 73.6 | Confident | 69.5 | Low | 105.2 Ų | 105.2 | 85.1 Ų | 85.1 | 55% | 0.551 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.8 | -37.3 | 178.4 | -67.3 | 172.5 | 0 | 0 | 0 | 112.5 | N2065 H2066 A2067 N2072 N2073 | N2065-L2069 WeakPolarHBondContact O-CG 3.31Å; N2065-L2069 PolarHBondContact O-N 3.01Å; H2066-L2069 PolarHBondContact O-N 3.32Å; A2067-L2069 VanDerWaalsContact C-N 3.32Å; A2067-L2069 PolarHBondContact O-N 3.09Å; L2069-N2072 PolarHBondContact O-N 3.24Å; L2069-N2073 PolarHBondContact O-N 3.37Å; L2069-N2073 PolarHBondContact O-ND2 3.16Å |
| 2070 | S | 68.8 | Low | 66.7 | Low | 58.6 Ų | 58.6 | 83.6 Ų | 83.6 | 41% | 0.41 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.8 | -38 | 179.1 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | H2066 A2067 I2068 N2072 N2073 V2074 | H2066-S2070 VanDerWaalsContact O-CB 3.3Å; H2066-S2070 WeakPolarHBondContact O-CB 3.37Å; H2066-S2070 PolarHBondContact O-N 3.14Å; H2066-S2070 PolarHBondContact O-OG 3.15Å; A2067-S2070 WeakPolarHBondContact CA-OG 3.38Å; A2067-S2070 PolarHBondContact O-N 3.09Å; A2067-S2070 VanDerWaalsContact O-N 3.12Å; A2067-S2070 PolarHBondContact O-OG 3.26Å; I2068-S2070 VanDerWaalsContact C-N 3.32Å; I2068-S2070 PolarHBondContact O-N 3.2Å; S2070-N2072 VanDerWaalsContact C-N 3.31Å; S2070-N2072 PolarHBondContact O-N 3.23Å; S2070-N2073 PolarHBondContact O-N 3.33Å; S2070-N2073 VanDerWaalsContact O-N 3.13Å; S2070-V2074 VanDerWaalsContact O-CB 3.27Å; S2070-V2074 WeakPolarHBondContact O-CB 3.37Å; S2070-V2074 VanDerWaalsContact O-CG2 3.3Å; S2070-V2074 WeakPolarHBondContact O-CG2 3.42Å; S2070-V2074 PolarHBondContact O-N 3.01Å; S2070-V2074 VanDerWaalsContact O-N 3.13Å |
| 2071 | V | 60.7 | Low | 64 | Low | 21.8 Ų | 21.8 | 89.8 Ų | 89.8 | 13% | 0.132 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 176.9 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | A2067 I2068 N2073 V2074 N2075 L2151 Q2154 | A2067-V2071 WeakPolarHBondContact O-CB 3.42Å; A2067-V2071 VanDerWaalsContact O-CG2 3.24Å; A2067-V2071 WeakPolarHBondContact O-CG2 3.46Å; A2067-V2071 PolarHBondContact O-N 3.07Å; I2068-V2071 PolarHBondContact O-N 3.11Å; V2071-N2073 VanDerWaalsContact C-N 3.29Å; V2071-N2073 PolarHBondContact O-N 3.29Å; V2071-V2074 PolarHBondContact O-N 3.42Å; V2071-N2075 WeakPolarHBondContact CG1-ND2 3.33Å; V2071-N2075 VanDerWaalsContact O-CB 3.31Å; V2071-N2075 WeakPolarHBondContact O-CB 3.31Å; V2071-N2075 PolarHBondContact O-N 2.99Å; V2071-N2075 PolarHBondContact O-ND2 3.05Å; V2071-N2075 VanDerWaalsContact O-ND2 3.09Å; V2071-L2151 HydrophobicContact CG1-CD1 4.02Å; V2071-Q2154 VanDerWaalsContact CG1-OE1 3.22Å |
| 2072 | N | 58.6 | Low | 61.6 | Low | 88.8 Ų | 88.8 | 92.9 Ų | 92.9 | 48% | 0.475 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.8 | -30 | 176.7 | -70.2 | -15.2 | 0 | 0 | 0 | 113.3 | I2068 L2069 S2070 L2151 | I2068-N2072 WeakPolarHBondContact O-CB 3.39Å; I2068-N2072 VanDerWaalsContact O-CG 3.26Å; I2068-N2072 PolarHBondContact O-N 3Å; I2068-N2072 VanDerWaalsContact O-N 3.15Å; I2068-N2072 PolarHBondContact O-ND2 3.2Å; L2069-N2072 PolarHBondContact O-N 3.24Å; S2070-N2072 VanDerWaalsContact C-N 3.31Å; S2070-N2072 PolarHBondContact O-N 3.23Å; N2072-L2151 WeakPolarHBondContact OD1-CD1 3.44Å |
| 2073 | N | 54.2 | Low | 59.3 | Low | 135.6 Ų | 135.6 | 98 Ų | 98 | 73% | 0.725 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -94.5 | -25.6 | -175.8 | -75.7 | -21.4 | 0 | 0 | 0 | 114.6 | L2069 S2070 V2071 Q2076 | L2069-N2073 PolarHBondContact O-N 3.37Å; L2069-N2073 PolarHBondContact O-ND2 3.16Å; S2070-N2073 PolarHBondContact O-N 3.33Å; S2070-N2073 VanDerWaalsContact O-N 3.13Å; V2071-N2073 VanDerWaalsContact C-N 3.29Å; V2071-N2073 PolarHBondContact O-N 3.29Å; N2073-Q2076 PolarHBondContact O-N 3.33Å |
| 2074 | V | 50.7 | Low | 57.3 | Low | 81.8 Ų | 81.8 | 99.5 Ų | 99.5 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -98.7 | -16.6 | -171.3 | 178.5 | 0 | 0 | 0 | 0 | 113.5 | S2070 V2071 Q2076 S2077 K2078 | S2070-V2074 VanDerWaalsContact O-CB 3.27Å; S2070-V2074 WeakPolarHBondContact O-CB 3.37Å; S2070-V2074 VanDerWaalsContact O-CG2 3.3Å; S2070-V2074 WeakPolarHBondContact O-CG2 3.42Å; S2070-V2074 PolarHBondContact O-N 3.01Å; S2070-V2074 VanDerWaalsContact O-N 3.13Å; V2071-V2074 PolarHBondContact O-N 3.42Å; V2074-Q2076 VanDerWaalsContact C-N 3.25Å; V2074-Q2076 PolarHBondContact O-N 3.01Å; V2074-S2077 PolarHBondContact O-N 3.1Å; V2074-S2077 PolarHBondContact O-OG 3.33Å; V2074-K2078 HydrophobicContact CG1-CD 4.27Å; V2074-K2078 PolarHBondContact O-N 2.93Å |
| 2075 | N | 50.4 | Low | 55.4 | Low | 56.8 Ų | 56.8 | 103 Ų | 103 | 30% | 0.304 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -2 | -173.1 | -87 | -23.8 | 0 | 0 | 0 | 116.1 | V2071 S2077 R2079 Q2154 | V2071-N2075 WeakPolarHBondContact CG1-ND2 3.33Å; V2071-N2075 VanDerWaalsContact O-CB 3.31Å; V2071-N2075 WeakPolarHBondContact O-CB 3.31Å; V2071-N2075 PolarHBondContact O-N 2.99Å; V2071-N2075 PolarHBondContact O-ND2 3.05Å; V2071-N2075 VanDerWaalsContact O-ND2 3.09Å; N2075-S2077 VanDerWaalsContact C-N 3.28Å; N2075-R2079 PolarHBondContact O-NE 2.97Å; N2075-R2079 PolarHBondContact OD1-NE 3.38Å; N2075-R2079 PolarHBondContact OD1-NH2 3.42Å; N2075-Q2154 PolarHBondContact ND2-NE2 3.36Å; N2075-Q2154 PolarHBondContact ND2-OE1 3.43Å |
| 2076 | Q | 45.5 | Very low | 54.1 | Low | 186.2 Ų | 186.2 | 104.5 Ų | 104.5 | 87% | 0.87 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -20.8 | 173 | -72 | -169.6 | 2.3 | 0 | 0 | 114.7 | N2073 V2074 | N2073-Q2076 PolarHBondContact O-N 3.33Å; V2074-Q2076 VanDerWaalsContact C-N 3.25Å; V2074-Q2076 PolarHBondContact O-N 3.01Å |
| 2077 | S | 43.5 | Very low | 52.8 | Low | 106 Ų | 106 | 101.1 Ų | 101.1 | 74% | 0.741 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -114.7 | -1.5 | -165.4 | -50.4 | 0 | 0 | 0 | 0 | 117.2 | V2074 N2075 | V2074-S2077 PolarHBondContact O-N 3.1Å; V2074-S2077 PolarHBondContact O-OG 3.33Å; N2075-S2077 VanDerWaalsContact C-N 3.28Å |
| 2078 | K | 43.3 | Very low | 52 | Low | 178.8 Ų | 178.8 | 106.6 Ų | 106.6 | 78% | 0.777 | 57% | 0.566 | S | S | * | * | trans | -130.4 | 19 | -175.8 | -76.6 | -171.9 | 177.6 | -179.8 | 0 | 116.8 | V2074 S2080 | V2074-K2078 HydrophobicContact CG1-CD 4.27Å; V2074-K2078 PolarHBondContact O-N 2.93Å; K2078-S2080 VanDerWaalsContact C-N 3.29Å; K2078-S2080 PolarHBondContact O-N 3.19Å | ||
| 2079 | R | 42.4 | Very low | 51.8 | Low | 204 Ų | 204 | 108.4 Ų | 108.4 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | trans | -73.3 | 34.8 | 177.8 | -72.4 | -175 | 174 | -178 | -3.9 | 114.7 | N2075 | N2075-R2079 PolarHBondContact O-NE 2.97Å; N2075-R2079 PolarHBondContact OD1-NE 3.38Å; N2075-R2079 PolarHBondContact OD1-NH2 3.42Å | ||
| 2080 | S | 34.3 | Very low | 51.9 | Low | 105.4 Ų | 105.4 | 103.7 Ų | 103.7 | 74% | 0.737 | 55% | 0.552 | S | S | * | * | trans | -120.6 | 53.1 | -172.3 | 140.1 | 0 | 0 | 0 | 0 | 114.1 | K2078 | K2078-S2080 VanDerWaalsContact C-N 3.29Å; K2078-S2080 PolarHBondContact O-N 3.19Å | ||
| 2081 | N | 37.6 | Very low | 52.1 | Low | 139.6 Ų | 139.6 | 102.9 Ų | 102.9 | 75% | 0.747 | 54% | 0.542 | S | S | * | . | trans | -168.3 | 109.8 | 147.3 | -119.1 | 1.9 | 0 | 0 | 0 | 111.2 | ||||
| 2082 | P | 41.5 | Very low | 52.9 | Low | 81 Ų | 81 | 105 Ų | 105 | 53% | 0.526 | 56% | 0.557 | S | S | . | * | trans | -94.8 | 112.2 | -171.7 | 36.6 | -31.3 | 0 | 0 | 0 | 112 | S2084 | P2082-S2084 PolarHBondContact O-N 3.09Š| ||
| 2083 | Y | 41.9 | Very low | 54.1 | Low | 197.6 Ų | 197.6 | 101 Ų | 101 | 78% | 0.775 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -175.3 | 101.5 | 176.5 | -56.9 | -72.3 | 0 | 0 | 0 | 116.1 | S2085 V2087 M2149 | Y2083-S2085 VanDerWaalsContact C-N 3.34Å; Y2083-S2085 PolarHBondContact O-N 3Å; Y2083-S2085 VanDerWaalsContact O-N 3.11Å; Y2083-V2087 WeakPolarHBondContact O-CG2 3.45Å; Y2083-M2149 HydrophobicContact CD1-CE 4.43Å; Y2083-M2149 HydrophobicContact CE1-CE 4.48Å |
| 2084 | S | 46 | Very low | 55.5 | Low | 99.4 Ų | 99.4 | 94.9 Ų | 94.9 | 70% | 0.695 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 86.9 | -54 | 167.6 | -163.2 | 0 | 0 | 0 | 0 | 116.9 | P2082 N2086 V2087 | P2082-S2084 PolarHBondContact O-N 3.09Å; S2084-N2086 VanDerWaalsContact C-N 3.28Å; S2084-N2086 PolarHBondContact O-N 3.15Å; S2084-V2087 PolarHBondContact O-N 3.16Å |
| 2085 | S | 50.4 | Low | 57 | Low | 73.2 Ų | 73.2 | 93.5 Ų | 93.5 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.6 | -33.2 | -171.7 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | Y2083 V2087 N2089 | Y2083-S2085 VanDerWaalsContact C-N 3.34Å; Y2083-S2085 PolarHBondContact O-N 3Å; Y2083-S2085 VanDerWaalsContact O-N 3.11Å; S2085-V2087 VanDerWaalsContact C-N 3.34Å; S2085-V2087 PolarHBondContact O-N 3.05Å; S2085-N2089 WeakPolarHBondContact O-CB 3.4Å; S2085-N2089 VanDerWaalsContact O-CG 3.28Å; S2085-N2089 PolarHBondContact O-N 3.22Å; S2085-N2089 VanDerWaalsContact O-N 3.11Å; S2085-N2089 PolarHBondContact O-ND2 3.22Å; S2085-N2089 VanDerWaalsContact O-ND2 3.15Å |
| 2086 | N | 58 | Low | 58.8 | Low | 80.6 Ų | 80.6 | 95 Ų | 95 | 43% | 0.431 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.2 | -30.2 | -177.2 | -69.9 | -11.4 | 0 | 0 | 0 | 112.8 | S2084 L2090 | S2084-N2086 VanDerWaalsContact C-N 3.28Å; S2084-N2086 PolarHBondContact O-N 3.15Å; N2086-L2090 VanDerWaalsContact O-CB 3.31Å; N2086-L2090 WeakPolarHBondContact O-CB 3.35Å; N2086-L2090 PolarHBondContact O-N 3.15Å |
| 2087 | V | 57.5 | Low | 60.8 | Low | 58 Ų | 58 | 86.1 Ų | 86.1 | 35% | 0.352 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.5 | -44 | -178.1 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | Y2083 S2084 S2085 N2089 L2090 E2091 | Y2083-V2087 WeakPolarHBondContact O-CG2 3.45Å; S2084-V2087 PolarHBondContact O-N 3.16Å; S2085-V2087 VanDerWaalsContact C-N 3.34Å; S2085-V2087 PolarHBondContact O-N 3.05Å; V2087-N2089 VanDerWaalsContact C-N 3.31Å; V2087-N2089 PolarHBondContact O-N 3.3Å; V2087-L2090 WeakPolarHBondContact O-CA 3.21Å; V2087-L2090 WeakPolarHBondContact O-CB 3.4Å; V2087-L2090 PolarHBondContact O-N 3.17Å; V2087-E2091 WeakPolarHBondContact O-CG 3.47Å; V2087-E2091 PolarHBondContact O-N 3.1Å |
| 2088 | Q | 59.7 | Low | 62.9 | Low | 123.8 Ų | 123.8 | 84.7 Ų | 84.7 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.7 | -33.6 | 177 | -153.1 | 169 | 0.5 | 0 | 0 | 112.3 | L2090 E2091 S2092 | Q2088-L2090 VanDerWaalsContact C-N 3.34Å; Q2088-E2091 PolarHBondContact O-N 3.17Å; Q2088-S2092 WeakPolarHBondContact O-CB 3.44Å; Q2088-S2092 PolarHBondContact O-N 3.19Å; Q2088-S2092 PolarHBondContact O-OG 3.05Å |
| 2089 | N | 68.8 | Low | 65 | Low | 94.6 Ų | 94.6 | 79.5 Ų | 79.5 | 51% | 0.506 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 170.9 | -71 | -20 | 0 | 0 | 0 | 111.4 | S2085 V2087 E2091 S2092 S2093 | S2085-N2089 WeakPolarHBondContact O-CB 3.4Å; S2085-N2089 VanDerWaalsContact O-CG 3.28Å; S2085-N2089 PolarHBondContact O-N 3.22Å; S2085-N2089 VanDerWaalsContact O-N 3.11Å; S2085-N2089 PolarHBondContact O-ND2 3.22Å; S2085-N2089 VanDerWaalsContact O-ND2 3.15Å; V2087-N2089 VanDerWaalsContact C-N 3.31Å; V2087-N2089 PolarHBondContact O-N 3.3Å; N2089-E2091 PolarHBondContact O-N 3.37Å; N2089-S2092 PolarHBondContact O-N 3.43Å; N2089-S2092 PolarHBondContact O-OG 2.92Å; N2089-S2092 VanDerWaalsContact O-OG 3.05Å; N2089-S2093 VanDerWaalsContact O-CB 3.28Å; N2089-S2093 WeakPolarHBondContact O-CB 3.37Å; N2089-S2093 PolarHBondContact O-N 3.17Å; N2089-S2093 PolarHBondContact O-OG 3.25Å; N2089-S2093 VanDerWaalsContact O-OG 3.09Å |
| 2090 | L | 76.3 | Confident | 67.2 | Low | 5.8 Ų | 5.8 | 70.6 Ų | 70.6 | 3% | 0.03 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.9 | -177 | 83.4 | 0 | 0 | 0 | 111.9 | N2086 V2087 Q2088 S2092 S2093 L2094 T2144 S2147 L2148 I2216 Q2220 | N2086-L2090 VanDerWaalsContact O-CB 3.31Å; N2086-L2090 WeakPolarHBondContact O-CB 3.35Å; N2086-L2090 PolarHBondContact O-N 3.15Å; V2087-L2090 WeakPolarHBondContact O-CA 3.21Å; V2087-L2090 WeakPolarHBondContact O-CB 3.4Å; V2087-L2090 PolarHBondContact O-N 3.17Å; Q2088-L2090 VanDerWaalsContact C-N 3.34Å; L2090-S2092 VanDerWaalsContact C-N 3.32Å; L2090-S2092 PolarHBondContact O-N 3.16Å; L2090-S2093 WeakPolarHBondContact CA-OG 3.12Å; L2090-S2093 WeakPolarHBondContact O-CB 3.44Å; L2090-S2093 PolarHBondContact O-N 3.06Å; L2090-S2093 VanDerWaalsContact O-N 3.1Å; L2090-S2093 PolarHBondContact O-OG 2.94Å; L2090-L2094 HydrophobicContact CD1-CD1 4.39Å; L2090-L2094 HydrophobicContact CD1-CG 4.41Å; L2090-L2094 HydrophobicContact CD2-CD1 4.15Å; L2090-L2094 HydrophobicContact CG-CD1 3.97Å; L2090-L2094 HydrophobicContact CG-CG 4.37Å; L2090-L2094 WeakPolarHBondContact O-CB 3.34Å; L2090-L2094 VanDerWaalsContact O-CG 3.28Å; L2090-L2094 WeakPolarHBondContact O-CG 3.43Å; L2090-L2094 PolarHBondContact O-N 3.12Å; L2090-T2144 HydrophobicContact CD1-CG2 3.74Å; L2090-S2147 VanDerWaalsContact CD1-OG 3.25Å; L2090-S2147 WeakPolarHBondContact CD1-OG 3.39Å; L2090-L2148 HydrophobicContact CD1-CD2 3.87Å; L2090-L2148 HydrophobicContact CD1-CG 4.35Å; L2090-L2148 HydrophobicContact CD2-CD2 4.29Å; L2090-I2216 HydrophobicContact CD2-CG2 4.48Å; L2090-Q2220 HydrophobicContact CD2-CB 4.04Å; L2090-Q2220 HydrophobicContact CD2-CG 4.43Å; L2090-Q2220 VanDerWaalsContact CD2-OE1 3.31Å |
| 2091 | E | 72.3 | Confident | 69.9 | Low | 42 Ų | 42 | 65.7 Ų | 65.7 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -45 | 177.9 | -72.4 | 178.9 | 171.5 | 0 | 0 | 111.7 | V2087 Q2088 N2089 S2093 L2094 A2095 G2222 N2224 W2225 | V2087-E2091 WeakPolarHBondContact O-CG 3.47Å; V2087-E2091 PolarHBondContact O-N 3.1Å; Q2088-E2091 PolarHBondContact O-N 3.17Å; N2089-E2091 PolarHBondContact O-N 3.37Å; E2091-S2093 VanDerWaalsContact C-N 3.32Å; E2091-S2093 PolarHBondContact O-N 3.33Å; E2091-L2094 PolarHBondContact O-N 3.22Å; E2091-A2095 WeakPolarHBondContact O-CB 3.38Å; E2091-A2095 PolarHBondContact O-N 3.33Å; E2091-A2095 VanDerWaalsContact O-N 3.1Å; E2091-G2222 VanDerWaalsContact OE1-CA 3.27Å; E2091-G2222 WeakPolarHBondContact OE1-CA 3.5Å; E2091-G2222 PolarHBondContact OE1-N 3.09Å; E2091-G2222 VanDerWaalsContact OE1-N 3.1Å; E2091-N2224 WeakPolarHBondContact OE2-CB 3.48Å; E2091-W2225 HydrophobicContact CG-CB 4.44Å; E2091-W2225 PolarHBondContact OE1-N 2.88Å |
| 2092 | S | 78.8 | Confident | 72.3 | Confident | 65 Ų | 65 | 63 Ų | 63 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 176.9 | -40.3 | 0 | 0 | 0 | 0 | 111.7 | Q2088 N2089 L2090 A2095 L2096 | Q2088-S2092 WeakPolarHBondContact O-CB 3.44Å; Q2088-S2092 PolarHBondContact O-N 3.19Å; Q2088-S2092 PolarHBondContact O-OG 3.05Å; N2089-S2092 PolarHBondContact O-N 3.43Å; N2089-S2092 PolarHBondContact O-OG 2.92Å; N2089-S2092 VanDerWaalsContact O-OG 3.05Å; L2090-S2092 VanDerWaalsContact C-N 3.32Å; L2090-S2092 PolarHBondContact O-N 3.16Å; S2092-A2095 PolarHBondContact O-N 2.86Å; S2092-L2096 WeakPolarHBondContact O-CB 3.37Å; S2092-L2096 VanDerWaalsContact O-CG 3.3Å; S2092-L2096 WeakPolarHBondContact O-CG 3.43Å; S2092-L2096 PolarHBondContact O-N 3.2Å |
| 2093 | S | 83 | Confident | 74.6 | Confident | 6.6 Ų | 6.6 | 63 Ų | 63 | 5% | 0.046 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.4 | -79.4 | 0 | 0 | 0 | 0 | 112.4 | N2089 L2090 E2091 A2095 L2096 I2097 E2140 T2144 | N2089-S2093 VanDerWaalsContact O-CB 3.28Å; N2089-S2093 WeakPolarHBondContact O-CB 3.37Å; N2089-S2093 PolarHBondContact O-N 3.17Å; N2089-S2093 PolarHBondContact O-OG 3.25Å; N2089-S2093 VanDerWaalsContact O-OG 3.09Å; L2090-S2093 WeakPolarHBondContact CA-OG 3.12Å; L2090-S2093 WeakPolarHBondContact O-CB 3.44Å; L2090-S2093 PolarHBondContact O-N 3.06Å; L2090-S2093 VanDerWaalsContact O-N 3.1Å; L2090-S2093 PolarHBondContact O-OG 2.94Å; E2091-S2093 VanDerWaalsContact C-N 3.32Å; E2091-S2093 PolarHBondContact O-N 3.33Å; S2093-A2095 VanDerWaalsContact C-N 3.34Å; S2093-A2095 PolarHBondContact O-N 3.05Å; S2093-L2096 PolarHBondContact O-N 3.19Å; S2093-L2096 VanDerWaalsContact O-N 3.16Å; S2093-I2097 VanDerWaalsContact O-CG1 3.31Å; S2093-I2097 WeakPolarHBondContact O-CG1 3.37Å; S2093-I2097 PolarHBondContact O-N 3.23Å; S2093-E2140 WeakPolarHBondContact CA-OE1 3.27Å; S2093-E2140 WeakPolarHBondContact CB-OE1 3.41Å; S2093-E2140 VanDerWaalsContact O-CG 3.29Å; S2093-E2140 WeakPolarHBondContact O-CG 3.43Å; S2093-E2140 PolarHBondContact OG-OE1 3.07Å; S2093-T2144 VanDerWaalsContact CB-OG1 3.31Å; S2093-T2144 WeakPolarHBondContact CB-OG1 3.42Å; S2093-T2144 PolarHBondContact OG-OG1 2.97Å |
| 2094 | L | 84.2 | Confident | 76.8 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 177 | -69.9 | 171.3 | 0 | 0 | 0 | 111.7 | L2090 E2091 L2096 I2097 R2098 T2144 I2213 I2216 A2217 | L2090-L2094 HydrophobicContact CD1-CD1 4.39Å; L2090-L2094 HydrophobicContact CD1-CG 4.41Å; L2090-L2094 HydrophobicContact CD2-CD1 4.15Å; L2090-L2094 HydrophobicContact CG-CD1 3.97Å; L2090-L2094 HydrophobicContact CG-CG 4.37Å; L2090-L2094 WeakPolarHBondContact O-CB 3.34Å; L2090-L2094 VanDerWaalsContact O-CG 3.28Å; L2090-L2094 WeakPolarHBondContact O-CG 3.43Å; L2090-L2094 PolarHBondContact O-N 3.12Å; E2091-L2094 PolarHBondContact O-N 3.22Å; L2094-L2096 VanDerWaalsContact C-N 3.35Å; L2094-I2097 PolarHBondContact O-N 3.1Å; L2094-R2098 WeakPolarHBondContact O-CB 3.29Å; L2094-R2098 PolarHBondContact O-N 3.08Å; L2094-T2144 HydrophobicContact CD2-CG2 3.66Å; L2094-T2144 HydrophobicContact CG-CG2 4.23Å; L2094-I2213 HydrophobicContact CB-CG2 4.17Å; L2094-I2213 HydrophobicContact CD2-CB 4.4Å; L2094-I2213 HydrophobicContact CD2-CG1 4.21Å; L2094-I2213 HydrophobicContact CD2-CG2 4.1Å; L2094-I2216 HydrophobicContact CD1-CG2 3.92Å; L2094-I2216 HydrophobicContact CD2-CG2 4.27Å; L2094-A2217 HydrophobicContact CD1-CB 4.19Å |
| 2095 | A | 82.5 | Confident | 78.8 | Confident | 52.2 Ų | 52.2 | 51.5 Ų | 51.5 | 43% | 0.431 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E2091 S2092 S2093 R2098 T2099 | E2091-A2095 WeakPolarHBondContact O-CB 3.38Å; E2091-A2095 PolarHBondContact O-N 3.33Å; E2091-A2095 VanDerWaalsContact O-N 3.1Å; S2092-A2095 PolarHBondContact O-N 2.86Å; S2093-A2095 VanDerWaalsContact C-N 3.34Å; S2093-A2095 PolarHBondContact O-N 3.05Å; A2095-R2098 PolarHBondContact O-N 3.16Å; A2095-T2099 WeakPolarHBondContact O-CB 3.27Å; A2095-T2099 WeakPolarHBondContact O-CG2 3.33Å; A2095-T2099 PolarHBondContact O-N 3.04Å; A2095-T2099 PolarHBondContact O-OG1 2.92Å |
| 2096 | L | 86.4 | Confident | 80.7 | Confident | 88.6 Ų | 88.6 | 51.7 Ų | 51.7 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 175.1 | -74.1 | 171.5 | 0 | 0 | 0 | 112.4 | S2092 S2093 L2094 R2098 T2099 T2100 E2140 | S2092-L2096 WeakPolarHBondContact O-CB 3.37Å; S2092-L2096 VanDerWaalsContact O-CG 3.3Å; S2092-L2096 WeakPolarHBondContact O-CG 3.43Å; S2092-L2096 PolarHBondContact O-N 3.2Å; S2093-L2096 PolarHBondContact O-N 3.19Å; S2093-L2096 VanDerWaalsContact O-N 3.16Å; L2094-L2096 VanDerWaalsContact C-N 3.35Å; L2096-R2098 VanDerWaalsContact C-N 3.33Å; L2096-R2098 PolarHBondContact O-N 3.18Å; L2096-T2099 WeakPolarHBondContact CA-OG1 3.34Å; L2096-T2099 PolarHBondContact O-N 2.91Å; L2096-T2099 PolarHBondContact O-OG1 3.03Å; L2096-T2099 VanDerWaalsContact O-OG1 3.07Å; L2096-T2100 WeakPolarHBondContact O-CB 3.41Å; L2096-T2100 VanDerWaalsContact O-CG2 3.27Å; L2096-T2100 WeakPolarHBondContact O-CG2 3.33Å; L2096-T2100 PolarHBondContact O-N 3.04Å; L2096-T2100 PolarHBondContact O-OG1 3.28Å; L2096-T2100 VanDerWaalsContact O-OG1 3.07Å; L2096-E2140 HydrophobicContact CB-CG 4.04Å |
| 2097 | I | 88.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 173.6 | -65.9 | 166.4 | 0 | 0 | 0 | 109.7 | S2093 L2094 T2099 T2100 M2101 F2137 E2140 T2144 L2209 I2213 | S2093-I2097 VanDerWaalsContact O-CG1 3.31Å; S2093-I2097 WeakPolarHBondContact O-CG1 3.37Å; S2093-I2097 PolarHBondContact O-N 3.23Å; L2094-I2097 PolarHBondContact O-N 3.1Å; I2097-T2099 PolarHBondContact O-N 3.06Å; I2097-T2100 PolarHBondContact O-N 3.19Å; I2097-T2100 PolarHBondContact O-OG1 3.25Å; I2097-T2100 VanDerWaalsContact O-OG1 3.07Å; I2097-M2101 VanDerWaalsContact O-CB 3.3Å; I2097-M2101 WeakPolarHBondContact O-CB 3.3Å; I2097-M2101 PolarHBondContact O-N 3.11Å; I2097-F2137 HydrophobicContact CG2-CD2 4.07Å; I2097-F2137 HydrophobicContact CG2-CE2 3.77Å; I2097-E2140 HydrophobicContact CD1-CB 4.45Å; I2097-E2140 HydrophobicContact CD1-CG 4.28Å; I2097-E2140 HydrophobicContact CG1-CB 3.8Å; I2097-E2140 HydrophobicContact CG1-CG 3.76Å; I2097-T2144 HydrophobicContact CD1-CG2 4.28Å; I2097-T2144 VanDerWaalsContact CD1-OG1 3.28Å; I2097-T2144 WeakPolarHBondContact CD1-OG1 3.28Å; I2097-L2209 HydrophobicContact CG2-CD2 4.46Å; I2097-I2213 HydrophobicContact CB-CD1 4.21Å; I2097-I2213 HydrophobicContact CG2-CD1 3.58Å |
| 2098 | R | 87.2 | Confident | 83.6 | Confident | 77.4 Ų | 77.4 | 46 Ų | 46 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 179.9 | -172.7 | 176.4 | -171 | 120 | 8.1 | 112.1 | L2094 A2095 L2096 T2100 M2101 E2102 D2214 | L2094-R2098 WeakPolarHBondContact O-CB 3.29Å; L2094-R2098 PolarHBondContact O-N 3.08Å; A2095-R2098 PolarHBondContact O-N 3.16Å; L2096-R2098 VanDerWaalsContact C-N 3.33Å; L2096-R2098 PolarHBondContact O-N 3.18Å; R2098-T2100 PolarHBondContact O-N 3.05Å; R2098-M2101 HydrophobicContact CG-CE 4.22Å; R2098-M2101 PolarHBondContact O-N 3.09Å; R2098-E2102 HydrophobicContact CG-CG 4.45Å; R2098-E2102 VanDerWaalsContact CG-OE1 3.26Å; R2098-E2102 WeakPolarHBondContact CG-OE1 3.39Å; R2098-E2102 IonicContact CZ-OE1 2.88Å; R2098-E2102 IonicContact NE-OE1 3.05Å; R2098-E2102 PolarHBondContact NE-OE1 3.12Å; R2098-E2102 VanDerWaalsContact NE-OE1 3.15Å; R2098-E2102 IonicContact NH2-OE1 2.67Å; R2098-E2102 WeakPolarHBondContact O-CB 3.35Å; R2098-E2102 VanDerWaalsContact O-CG 3.28Å; R2098-E2102 WeakPolarHBondContact O-CG 3.32Å; R2098-E2102 PolarHBondContact O-N 3.23Å; R2098-D2214 IonicContact CZ-OD2 3.9Å; R2098-D2214 IonicContact NH1-OD1 3.12Å; R2098-D2214 PolarHBondContact NH1-OD1 3.22Å; R2098-D2214 IonicContact NH1-OD2 3.03Å; R2098-D2214 PolarHBondContact NH1-OD2 3.18Å |
| 2099 | T | 87.3 | Confident | 84.9 | Confident | 67.8 Ų | 67.8 | 44.9 Ų | 44.9 | 42% | 0.416 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.3 | -42.5 | -179.7 | 35.2 | 0 | 0 | 0 | 0 | 112.1 | A2095 L2096 I2097 M2101 E2102 Q2103 | A2095-T2099 WeakPolarHBondContact O-CB 3.27Å; A2095-T2099 WeakPolarHBondContact O-CG2 3.33Å; A2095-T2099 PolarHBondContact O-N 3.04Å; A2095-T2099 PolarHBondContact O-OG1 2.92Å; L2096-T2099 WeakPolarHBondContact CA-OG1 3.34Å; L2096-T2099 PolarHBondContact O-N 2.91Å; L2096-T2099 PolarHBondContact O-OG1 3.03Å; L2096-T2099 VanDerWaalsContact O-OG1 3.07Å; I2097-T2099 PolarHBondContact O-N 3.06Å; T2099-M2101 VanDerWaalsContact C-N 3.34Å; T2099-M2101 PolarHBondContact O-N 3.11Å; T2099-E2102 PolarHBondContact O-N 3.14Å; T2099-Q2103 VanDerWaalsContact O-CG 3.3Å; T2099-Q2103 WeakPolarHBondContact O-CG 3.33Å; T2099-Q2103 PolarHBondContact O-N 3.33Å; T2099-Q2103 VanDerWaalsContact O-N 3.08Å |
| 2100 | T | 88.5 | Confident | 85.7 | Confident | 18.2 Ų | 18.2 | 43.7 Ų | 43.7 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 176.6 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | L2096 I2097 R2098 Q2103 I2104 Y2133 | L2096-T2100 WeakPolarHBondContact O-CB 3.41Å; L2096-T2100 VanDerWaalsContact O-CG2 3.27Å; L2096-T2100 WeakPolarHBondContact O-CG2 3.33Å; L2096-T2100 PolarHBondContact O-N 3.04Å; L2096-T2100 PolarHBondContact O-OG1 3.28Å; L2096-T2100 VanDerWaalsContact O-OG1 3.07Å; I2097-T2100 PolarHBondContact O-N 3.19Å; I2097-T2100 PolarHBondContact O-OG1 3.25Å; I2097-T2100 VanDerWaalsContact O-OG1 3.07Å; R2098-T2100 PolarHBondContact O-N 3.05Å; T2100-Q2103 PolarHBondContact O-N 3.19Å; T2100-I2104 WeakPolarHBondContact O-CB 3.35Å; T2100-I2104 VanDerWaalsContact O-CG1 3.26Å; T2100-I2104 WeakPolarHBondContact O-CG1 3.34Å; T2100-I2104 PolarHBondContact O-N 3.23Å; T2100-Y2133 HydrophobicContact CG2-CD1 4.39Å |
| 2101 | M | 90.5 | Very high | 86.1 | Confident | 2.8 Ų | 2.8 | 43.5 Ų | 43.5 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 174.7 | 179.1 | -168 | 73.7 | 0 | 0 | 112.1 | I2097 R2098 T2099 Q2103 I2104 E2105 F2137 C2206 L2209 S2210 | I2097-M2101 VanDerWaalsContact O-CB 3.3Å; I2097-M2101 WeakPolarHBondContact O-CB 3.3Å; I2097-M2101 PolarHBondContact O-N 3.11Å; R2098-M2101 HydrophobicContact CG-CE 4.22Å; R2098-M2101 PolarHBondContact O-N 3.09Å; T2099-M2101 VanDerWaalsContact C-N 3.34Å; T2099-M2101 PolarHBondContact O-N 3.11Å; M2101-Q2103 VanDerWaalsContact C-N 3.31Å; M2101-Q2103 PolarHBondContact O-N 3.15Å; M2101-I2104 WeakPolarHBondContact O-CB 3.28Å; M2101-I2104 PolarHBondContact O-N 3.21Å; M2101-I2104 VanDerWaalsContact O-N 3.13Å; M2101-E2105 PolarHBondContact O-N 3.44Å; M2101-F2137 HydrophobicContact CB-CE2 4.21Å; M2101-C2206 HydrophobicContact CE-CB 4.39Å; M2101-C2206 HydrophobicContact CG-CB 3.81Å; M2101-C2206 VanDerWaalsContact CG-SG 3.58Å; M2101-C2206 HydrophobicContact SD-CB 3.85Å; M2101-C2206 VanDerWaalsContact SD-O 3.33Å; M2101-L2209 HydrophobicContact SD-CB 4.14Å; M2101-L2209 HydrophobicContact SD-CD2 3.96Å; M2101-L2209 HydrophobicContact SD-CG 4.12Å; M2101-S2210 WeakPolarHBondContact CE-OG 3.39Å |
| 2102 | E | 87.9 | Confident | 86.6 | Confident | 82.8 Ų | 82.8 | 42 Ų | 42 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.1 | -73.5 | 170.9 | -174.8 | 0 | 0 | 111.8 | R2098 T2099 E2105 N2106 | R2098-E2102 HydrophobicContact CG-CG 4.45Å; R2098-E2102 VanDerWaalsContact CG-OE1 3.26Å; R2098-E2102 WeakPolarHBondContact CG-OE1 3.39Å; R2098-E2102 IonicContact CZ-OE1 2.88Å; R2098-E2102 IonicContact NE-OE1 3.05Å; R2098-E2102 PolarHBondContact NE-OE1 3.12Å; R2098-E2102 VanDerWaalsContact NE-OE1 3.15Å; R2098-E2102 IonicContact NH2-OE1 2.67Å; R2098-E2102 WeakPolarHBondContact O-CB 3.35Å; R2098-E2102 VanDerWaalsContact O-CG 3.28Å; R2098-E2102 WeakPolarHBondContact O-CG 3.32Å; R2098-E2102 PolarHBondContact O-N 3.23Å; T2099-E2102 PolarHBondContact O-N 3.14Å; E2102-E2105 PolarHBondContact O-N 2.9Å; E2102-N2106 WeakPolarHBondContact O-CB 3.38Å; E2102-N2106 VanDerWaalsContact O-CG 3.29Å; E2102-N2106 PolarHBondContact O-N 3.36Å; E2102-N2106 VanDerWaalsContact O-N 3.12Å; E2102-N2106 PolarHBondContact O-ND2 3.4Å |
| 2103 | Q | 89.8 | Confident | 86.7 | Confident | 80.8 Ų | 80.8 | 43 Ų | 43 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 172.8 | -66.8 | -55.3 | -37.8 | 0 | 0 | 112 | T2099 T2100 M2101 E2105 N2106 L2107 Y2133 | T2099-Q2103 VanDerWaalsContact O-CG 3.3Å; T2099-Q2103 WeakPolarHBondContact O-CG 3.33Å; T2099-Q2103 PolarHBondContact O-N 3.33Å; T2099-Q2103 VanDerWaalsContact O-N 3.08Å; T2100-Q2103 PolarHBondContact O-N 3.19Å; M2101-Q2103 VanDerWaalsContact C-N 3.31Å; M2101-Q2103 PolarHBondContact O-N 3.15Å; Q2103-E2105 VanDerWaalsContact C-N 3.33Å; Q2103-E2105 PolarHBondContact O-N 3.13Å; Q2103-N2106 PolarHBondContact O-N 3.17Å; Q2103-L2107 VanDerWaalsContact O-CB 3.29Å; Q2103-L2107 WeakPolarHBondContact O-CB 3.33Å; Q2103-L2107 WeakPolarHBondContact O-CD1 3.15Å; Q2103-L2107 VanDerWaalsContact O-CG 3.23Å; Q2103-L2107 WeakPolarHBondContact O-CG 3.43Å; Q2103-L2107 PolarHBondContact O-N 3.21Å; Q2103-Y2133 HydrophobicContact CB-CD2 4.49Å; Q2103-Y2133 HydrophobicContact CB-CE2 4.37Å |
| 2104 | I | 89.2 | Confident | 86.7 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 176.9 | -73.8 | 166.2 | 0 | 0 | 0 | 110.8 | T2100 M2101 L2107 S2108 L2134 F2137 M2168 | T2100-I2104 WeakPolarHBondContact O-CB 3.35Å; T2100-I2104 VanDerWaalsContact O-CG1 3.26Å; T2100-I2104 WeakPolarHBondContact O-CG1 3.34Å; T2100-I2104 PolarHBondContact O-N 3.23Å; M2101-I2104 WeakPolarHBondContact O-CB 3.28Å; M2101-I2104 PolarHBondContact O-N 3.21Å; M2101-I2104 VanDerWaalsContact O-N 3.13Å; I2104-L2107 PolarHBondContact O-N 3.15Å; I2104-S2108 VanDerWaalsContact O-CB 3.31Å; I2104-S2108 WeakPolarHBondContact O-CB 3.22Å; I2104-S2108 PolarHBondContact O-N 3.21Å; I2104-S2108 PolarHBondContact O-OG 3.3Å; I2104-L2134 HydrophobicContact CD1-CD2 4.17Å; I2104-F2137 HydrophobicContact CD1-CB 4.24Å; I2104-F2137 HydrophobicContact CD1-CG 4.32Å; I2104-M2168 HydrophobicContact CG2-CE 3.21Å |
| 2105 | E | 88.8 | Confident | 86.5 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 178.1 | -166.9 | -167.6 | 155.6 | 0 | 0 | 112.3 | M2101 E2102 Q2103 L2107 S2108 K2109 Q2203 | M2101-E2105 PolarHBondContact O-N 3.44Å; E2102-E2105 PolarHBondContact O-N 2.9Å; Q2103-E2105 VanDerWaalsContact C-N 3.33Å; Q2103-E2105 PolarHBondContact O-N 3.13Å; E2105-L2107 PolarHBondContact O-N 2.8Å; E2105-S2108 PolarHBondContact O-N 3.23Å; E2105-S2108 PolarHBondContact O-OG 3.25Å; E2105-K2109 WeakPolarHBondContact O-CB 3.35Å; E2105-K2109 PolarHBondContact O-N 3.18Å; E2105-K2109 VanDerWaalsContact O-N 3.1Å; E2105-Q2203 HydrophobicContact CG-CG 3.8Å; E2105-Q2203 PolarHBondContact OE1-NE2 3.01Å |
| 2106 | N | 88.5 | Confident | 86.3 | Confident | 76.8 Ų | 76.8 | 44.3 Ų | 44.3 | 41% | 0.411 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 177.9 | -160.4 | 14.5 | 0 | 0 | 0 | 111.5 | E2102 Q2103 K2109 Q2110 | E2102-N2106 WeakPolarHBondContact O-CB 3.38Å; E2102-N2106 VanDerWaalsContact O-CG 3.29Å; E2102-N2106 PolarHBondContact O-N 3.36Å; E2102-N2106 VanDerWaalsContact O-N 3.12Å; E2102-N2106 PolarHBondContact O-ND2 3.4Å; Q2103-N2106 PolarHBondContact O-N 3.17Å; N2106-K2109 PolarHBondContact O-N 3.09Å; N2106-Q2110 VanDerWaalsContact CG-NE2 3.33Å; N2106-Q2110 PolarHBondContact ND2-NE2 2.98Å; N2106-Q2110 WeakPolarHBondContact O-CB 3.43Å; N2106-Q2110 VanDerWaalsContact O-CG 3.3Å; N2106-Q2110 WeakPolarHBondContact O-CG 3.46Å; N2106-Q2110 PolarHBondContact O-N 3.15Å; N2106-Q2110 PolarHBondContact OD1-NE2 3.14Å; N2106-Q2110 VanDerWaalsContact OD1-NE2 3.12Å |
| 2107 | L | 88.6 | Confident | 85.7 | Confident | 17.6 Ų | 17.6 | 45.4 Ų | 45.4 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -36.2 | 177.8 | -70.7 | 168.8 | 0 | 0 | 0 | 112.2 | Q2103 I2104 E2105 Q2110 T2111 N2126 S2129 I2130 Y2133 | Q2103-L2107 VanDerWaalsContact O-CB 3.29Å; Q2103-L2107 WeakPolarHBondContact O-CB 3.33Å; Q2103-L2107 WeakPolarHBondContact O-CD1 3.15Å; Q2103-L2107 VanDerWaalsContact O-CG 3.23Å; Q2103-L2107 WeakPolarHBondContact O-CG 3.43Å; Q2103-L2107 PolarHBondContact O-N 3.21Å; I2104-L2107 PolarHBondContact O-N 3.15Å; E2105-L2107 PolarHBondContact O-N 2.8Å; L2107-Q2110 PolarHBondContact O-N 3.19Å; L2107-T2111 WeakPolarHBondContact O-CB 3.42Å; L2107-T2111 PolarHBondContact O-N 3.13Å; L2107-T2111 PolarHBondContact O-OG1 3.24Å; L2107-N2126 HydrophobicContact CD2-CB 4.37Å; L2107-S2129 VanDerWaalsContact CD1-OG 3.29Å; L2107-S2129 WeakPolarHBondContact CD1-OG 3.32Å; L2107-S2129 WeakPolarHBondContact CD2-OG 3.38Å; L2107-I2130 HydrophobicContact CB-CD1 3.96Å; L2107-I2130 HydrophobicContact CB-CG1 3.68Å; L2107-I2130 HydrophobicContact CD1-CG1 4.21Å; L2107-Y2133 HydrophobicContact CD1-CD2 3.78Å; L2107-Y2133 HydrophobicContact CD1-CE2 3.71Å |
| 2108 | S | 88.1 | Confident | 85.1 | Confident | 0.2 Ų | 0.2 | 45.7 Ų | 45.7 | 0% | 0.001 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 176.2 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | I2104 E2105 Q2110 T2111 I2112 N2199 | I2104-S2108 VanDerWaalsContact O-CB 3.31Å; I2104-S2108 WeakPolarHBondContact O-CB 3.22Å; I2104-S2108 PolarHBondContact O-N 3.21Å; I2104-S2108 PolarHBondContact O-OG 3.3Å; E2105-S2108 PolarHBondContact O-N 3.23Å; E2105-S2108 PolarHBondContact O-OG 3.25Å; S2108-Q2110 PolarHBondContact O-N 3.3Å; S2108-T2111 WeakPolarHBondContact O-CA 3.42Å; S2108-T2111 VanDerWaalsContact O-CB 3.24Å; S2108-T2111 WeakPolarHBondContact O-CB 3.33Å; S2108-T2111 PolarHBondContact O-N 3.24Å; S2108-T2111 VanDerWaalsContact O-N 3.17Å; S2108-I2112 WeakPolarHBondContact O-CD1 3.39Å; S2108-I2112 VanDerWaalsContact O-CG1 3.28Å; S2108-I2112 WeakPolarHBondContact O-CG1 3.42Å; S2108-I2112 PolarHBondContact O-N 3.17Å; S2108-I2112 VanDerWaalsContact O-N 3.15Å; S2108-N2199 PolarHBondContact OG-OD1 3Å; S2108-N2199 VanDerWaalsContact OG-OD1 3.05Å |
| 2109 | K | 87.6 | Confident | 84.8 | Confident | 102.2 Ų | 102.2 | 44.3 Ų | 44.3 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.9 | -50.2 | 174.2 | -176.4 | -179.8 | 175.3 | -177.7 | 0 | 111.9 | E2105 N2106 T2111 I2112 E2113 | E2105-K2109 WeakPolarHBondContact O-CB 3.35Å; E2105-K2109 PolarHBondContact O-N 3.18Å; E2105-K2109 VanDerWaalsContact O-N 3.1Å; N2106-K2109 PolarHBondContact O-N 3.09Å; K2109-T2111 VanDerWaalsContact C-N 3.28Å; K2109-T2111 PolarHBondContact O-N 3.23Å; K2109-I2112 WeakPolarHBondContact O-CB 3.42Å; K2109-I2112 PolarHBondContact O-N 3.08Å; K2109-I2112 VanDerWaalsContact O-N 3.11Å; K2109-E2113 VanDerWaalsContact CE-OE1 3.24Å; K2109-E2113 WeakPolarHBondContact CE-OE1 3.38Å; K2109-E2113 WeakPolarHBondContact O-CG 3.46Å; K2109-E2113 PolarHBondContact O-N 3.23Å; K2109-E2113 VanDerWaalsContact O-N 3.11Å |
| 2110 | Q | 84.9 | Confident | 84.6 | Confident | 68 Ų | 68 | 41.9 Ų | 41.9 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 177.4 | -70.6 | 178.7 | 35.8 | 0 | 0 | 112.7 | N2106 L2107 S2108 I2112 E2113 N2114 N2126 | N2106-Q2110 VanDerWaalsContact CG-NE2 3.33Å; N2106-Q2110 PolarHBondContact ND2-NE2 2.98Å; N2106-Q2110 WeakPolarHBondContact O-CB 3.43Å; N2106-Q2110 VanDerWaalsContact O-CG 3.3Å; N2106-Q2110 WeakPolarHBondContact O-CG 3.46Å; N2106-Q2110 PolarHBondContact O-N 3.15Å; N2106-Q2110 PolarHBondContact OD1-NE2 3.14Å; N2106-Q2110 VanDerWaalsContact OD1-NE2 3.12Å; L2107-Q2110 PolarHBondContact O-N 3.19Å; S2108-Q2110 PolarHBondContact O-N 3.3Å; Q2110-I2112 VanDerWaalsContact C-N 3.31Å; Q2110-I2112 PolarHBondContact O-N 3.01Å; Q2110-E2113 PolarHBondContact O-N 2.94Å; Q2110-N2114 VanDerWaalsContact O-CB 3.3Å; Q2110-N2114 WeakPolarHBondContact O-CB 3.42Å; Q2110-N2114 PolarHBondContact O-N 2.96Å; Q2110-N2114 VanDerWaalsContact O-N 3.11Å; Q2110-N2114 PolarHBondContact O-ND2 3.05Å; Q2110-N2114 VanDerWaalsContact O-ND2 3.09Å; Q2110-N2126 WeakPolarHBondContact CB-ND2 3.28Å |
| 2111 | T | 84.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | L2107 S2108 K2109 C2115 M2123 N2126 L2127 | L2107-T2111 WeakPolarHBondContact O-CB 3.42Å; L2107-T2111 PolarHBondContact O-N 3.13Å; L2107-T2111 PolarHBondContact O-OG1 3.24Å; S2108-T2111 WeakPolarHBondContact O-CA 3.42Å; S2108-T2111 VanDerWaalsContact O-CB 3.24Å; S2108-T2111 WeakPolarHBondContact O-CB 3.33Å; S2108-T2111 PolarHBondContact O-N 3.24Å; S2108-T2111 VanDerWaalsContact O-N 3.17Å; K2109-T2111 VanDerWaalsContact C-N 3.28Å; K2109-T2111 PolarHBondContact O-N 3.23Å; T2111-C2115 WeakPolarHBondContact O-CB 3.35Å; T2111-C2115 PolarHBondContact O-N 3.03Å; T2111-M2123 HydrophobicContact CG2-CG 3.67Å; T2111-N2126 VanDerWaalsContact OG1-CB 3.25Å; T2111-N2126 WeakPolarHBondContact OG1-CB 3.41Å; T2111-L2127 HydrophobicContact CG2-CD1 4.45Å; T2111-L2127 HydrophobicContact CG2-CD2 3.83Å; T2111-L2127 HydrophobicContact CG2-CG 3.87Å |
| 2112 | I | 83.9 | Confident | 83.8 | Confident | 9.2 Ų | 9.2 | 44.8 Ų | 44.8 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69 | -47.4 | 179.7 | -63.6 | 164.5 | 0 | 0 | 0 | 111.1 | S2108 K2109 Q2110 N2114 C2115 Q2116 L2171 L2195 N2199 | S2108-I2112 WeakPolarHBondContact O-CD1 3.39Å; S2108-I2112 VanDerWaalsContact O-CG1 3.28Å; S2108-I2112 WeakPolarHBondContact O-CG1 3.42Å; S2108-I2112 PolarHBondContact O-N 3.17Å; S2108-I2112 VanDerWaalsContact O-N 3.15Å; K2109-I2112 WeakPolarHBondContact O-CB 3.42Å; K2109-I2112 PolarHBondContact O-N 3.08Å; K2109-I2112 VanDerWaalsContact O-N 3.11Å; Q2110-I2112 VanDerWaalsContact C-N 3.31Å; Q2110-I2112 PolarHBondContact O-N 3.01Å; I2112-N2114 VanDerWaalsContact C-N 3.33Å; I2112-N2114 PolarHBondContact O-N 3.1Å; I2112-C2115 WeakPolarHBondContact O-CB 3.37Å; I2112-C2115 PolarHBondContact O-N 3.23Å; I2112-C2115 VanDerWaalsContact O-N 3.16Å; I2112-Q2116 HydrophobicContact CG2-CG 4.47Å; I2112-Q2116 VanDerWaalsContact O-CG 3.29Å; I2112-Q2116 WeakPolarHBondContact O-CG 3.39Å; I2112-Q2116 PolarHBondContact O-N 3.11Å; I2112-L2171 HydrophobicContact CD1-CD1 4.06Å; I2112-L2171 HydrophobicContact CG1-CD1 4.32Å; I2112-L2195 HydrophobicContact CB-CD2 3.94Å; I2112-L2195 HydrophobicContact CD1-CD2 3.99Å; I2112-L2195 HydrophobicContact CG1-CD2 3.48Å; I2112-L2195 VanDerWaalsContact CG1-CD2 3.45Å; I2112-L2195 HydrophobicContact CG1-CG 4.24Å; I2112-L2195 HydrophobicContact CG2-CB 4.42Å; I2112-L2195 HydrophobicContact CG2-CD2 3.64Å; I2112-N2199 HydrophobicContact CD1-CB 3.26Å; I2112-N2199 VanDerWaalsContact CD1-OD1 3.23Å; I2112-N2199 WeakPolarHBondContact CD1-OD1 3.31Å |
| 2113 | E | 81.2 | Confident | 83.8 | Confident | 86.6 Ų | 86.6 | 40.9 Ų | 40.9 | 41% | 0.405 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.5 | -47.4 | 177.6 | -69.5 | 174.6 | -176.3 | 0 | 0 | 110.7 | K2109 Q2110 C2115 Q2116 L2117 | K2109-E2113 VanDerWaalsContact CE-OE1 3.24Å; K2109-E2113 WeakPolarHBondContact CE-OE1 3.38Å; K2109-E2113 WeakPolarHBondContact O-CG 3.46Å; K2109-E2113 PolarHBondContact O-N 3.23Å; K2109-E2113 VanDerWaalsContact O-N 3.11Å; Q2110-E2113 PolarHBondContact O-N 2.94Å; E2113-C2115 PolarHBondContact O-N 3.26Å; E2113-Q2116 PolarHBondContact O-N 3.16Å; E2113-L2117 WeakPolarHBondContact O-CB 3.37Å; E2113-L2117 VanDerWaalsContact O-CG 3.27Å; E2113-L2117 WeakPolarHBondContact O-CG 3.39Å; E2113-L2117 PolarHBondContact O-N 3.13Å |
| 2114 | N | 81.4 | Confident | 83.6 | Confident | 19.8 Ų | 19.8 | 37.1 Ų | 37.1 | 11% | 0.106 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.2 | -33.7 | 178.2 | -72.9 | -55.4 | 0 | 0 | 0 | 113.2 | Q2110 I2112 Q2116 L2117 G2118 N2119 I2122 M2123 N2126 | Q2110-N2114 VanDerWaalsContact O-CB 3.3Å; Q2110-N2114 WeakPolarHBondContact O-CB 3.42Å; Q2110-N2114 PolarHBondContact O-N 2.96Å; Q2110-N2114 VanDerWaalsContact O-N 3.11Å; Q2110-N2114 PolarHBondContact O-ND2 3.05Å; Q2110-N2114 VanDerWaalsContact O-ND2 3.09Å; I2112-N2114 VanDerWaalsContact C-N 3.33Å; I2112-N2114 PolarHBondContact O-N 3.1Å; N2114-Q2116 VanDerWaalsContact C-N 3.33Å; N2114-Q2116 PolarHBondContact O-N 3.12Å; N2114-L2117 PolarHBondContact O-N 3.2Å; N2114-G2118 PolarHBondContact O-N 3.21Å; N2114-G2118 VanDerWaalsContact O-N 3.08Å; N2114-N2119 HydrophobicContact CB-CB 4.23Å; N2114-N2119 PolarHBondContact O-N 3.01Å; N2114-N2119 WeakPolarHBondContact OD1-CB 3.18Å; N2114-N2119 PolarHBondContact OD1-ND2 3.36Å; N2114-N2119 VanDerWaalsContact OD1-ND2 3.14Å; N2114-I2122 HydrophobicContact CB-CG2 4.46Å; N2114-I2122 VanDerWaalsContact ND2-CG2 3.32Å; N2114-I2122 WeakPolarHBondContact ND2-CG2 3.27Å; N2114-M2123 HydrophobicContact CB-CB 4.14Å; N2114-N2126 PolarHBondContact ND2-ND2 3Å |
| 2115 | C | 81.3 | Confident | 83.5 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 173.6 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | T2111 I2112 E2113 G2118 W2120 M2123 R2182 | T2111-C2115 WeakPolarHBondContact O-CB 3.35Å; T2111-C2115 PolarHBondContact O-N 3.03Å; I2112-C2115 WeakPolarHBondContact O-CB 3.37Å; I2112-C2115 PolarHBondContact O-N 3.23Å; I2112-C2115 VanDerWaalsContact O-N 3.16Å; E2113-C2115 PolarHBondContact O-N 3.26Å; C2115-G2118 PolarHBondContact O-N 3.23Å; C2115-W2120 HydrophobicContact CB-CZ3 4.5Å; C2115-W2120 WeakPolarHBondContact O-CH2 3.37Å; C2115-W2120 PolarHBondContact O-NE1 3.3Å; C2115-M2123 HydrophobicContact CB-CG 4.37Å; C2115-M2123 HydrophobicContact CB-SD 3.69Å; C2115-M2123 VanDerWaalsContact CB-SD 3.57Å; C2115-R2182 PolarHBondContact O-NH1 3.34Å |
| 2116 | Q | 76.8 | Confident | 83.4 | Confident | 69.4 Ų | 69.4 | 36.8 Ų | 36.8 | 32% | 0.324 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.3 | -44.8 | 176.7 | -70.7 | 175.7 | -2 | 0 | 0 | 111.8 | I2112 E2113 N2114 G2118 R2182 | I2112-Q2116 HydrophobicContact CG2-CG 4.47Å; I2112-Q2116 VanDerWaalsContact O-CG 3.29Å; I2112-Q2116 WeakPolarHBondContact O-CG 3.39Å; I2112-Q2116 PolarHBondContact O-N 3.11Å; E2113-Q2116 PolarHBondContact O-N 3.16Å; N2114-Q2116 VanDerWaalsContact C-N 3.33Å; N2114-Q2116 PolarHBondContact O-N 3.12Å; Q2116-G2118 VanDerWaalsContact C-N 3.28Å; Q2116-G2118 PolarHBondContact O-N 2.94Å; Q2116-R2182 PolarHBondContact O-NH1 3.29Å |
| 2117 | L | 75.3 | Confident | 83.5 | Confident | 111.2 Ų | 111.2 | 33.2 Ų | 33.2 | 58% | 0.582 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -70.6 | -17 | 179.4 | -66.5 | 173.3 | 0 | 0 | 0 | 113.8 | N1743 E2113 N2114 | N1743-L2117 PolarHBondContact ND2-O 2.99Å; E2113-L2117 WeakPolarHBondContact O-CB 3.37Å; E2113-L2117 VanDerWaalsContact O-CG 3.27Å; E2113-L2117 WeakPolarHBondContact O-CG 3.39Å; E2113-L2117 PolarHBondContact O-N 3.13Å; N2114-L2117 PolarHBondContact O-N 3.2Å |
| 2118 | G | 74.7 | Confident | 83.5 | Confident | 6.4 Ų | 6.4 | 37.4 Ų | 37.4 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 9.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1743 N2114 C2115 Q2116 W2120 | N1743-G2118 WeakPolarHBondContact CB-O 3.42Å; N2114-G2118 PolarHBondContact O-N 3.21Å; N2114-G2118 VanDerWaalsContact O-N 3.08Å; C2115-G2118 PolarHBondContact O-N 3.23Å; Q2116-G2118 VanDerWaalsContact C-N 3.28Å; Q2116-G2118 PolarHBondContact O-N 2.94Å; G2118-W2120 VanDerWaalsContact C-N 3.29Å; G2118-W2120 PolarHBondContact O-N 3.1Å; G2118-W2120 VanDerWaalsContact O-N 3.09Å; G2118-W2120 PolarHBondContact O-NE1 2.79Å |
| 2119 | N | 80.7 | Confident | 83.5 | Confident | 48.2 Ų | 48.2 | 39 Ų | 39 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | trans | -81.4 | 66.4 | 177.4 | -62.9 | -12.3 | 0 | 0 | 0 | 110.1 | N2114 E2121 I2122 M2123 | N2114-N2119 HydrophobicContact CB-CB 4.23Å; N2114-N2119 PolarHBondContact O-N 3.01Å; N2114-N2119 WeakPolarHBondContact OD1-CB 3.18Å; N2114-N2119 PolarHBondContact OD1-ND2 3.36Å; N2114-N2119 VanDerWaalsContact OD1-ND2 3.14Å; N2119-E2121 VanDerWaalsContact C-N 3.28Å; N2119-E2121 VanDerWaalsContact C-OE1 3.24Å; N2119-E2121 VanDerWaalsContact C-OE2 3.28Å; N2119-E2121 VanDerWaalsContact CA-OE1 3.26Å; N2119-E2121 WeakPolarHBondContact CA-OE1 3.29Å; N2119-E2121 WeakPolarHBondContact CA-OE2 3.41Å; N2119-E2121 WeakPolarHBondContact CB-OE1 3.4Å; N2119-E2121 PolarHBondContact O-N 3.14Å; N2119-I2122 HydrophobicContact CB-CB 4.35Å; N2119-I2122 HydrophobicContact CB-CD1 4.27Å; N2119-I2122 HydrophobicContact CB-CG1 4.34Å; N2119-I2122 PolarHBondContact O-N 3.09Å; N2119-M2123 WeakPolarHBondContact O-CB 3.44Å; N2119-M2123 PolarHBondContact O-N 3.03Å; N2119-M2123 VanDerWaalsContact O-N 3.12Å | ||
| 2120 | W | 83.1 | Confident | 83.7 | Confident | 17 Ų | 17 | 34.2 Ų | 34.2 | 6% | 0.064 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -24.6 | -170.7 | -62.7 | 8.8 | 0 | 0 | 0 | 113.2 | Y1744 P1745 V2044 P2045 C2115 G2118 M2123 A2124 L2179 R2182 | Y1744-W2120 AromaticContact CD1-CE3 3.47Å; Y1744-W2120 HydrophobicContact CD1-CE3 3.47Å; Y1744-W2120 VanDerWaalsContact CD1-CE3 3.44Å; Y1744-W2120 AromaticContact CD1-CZ3 3.49Å; Y1744-W2120 HydrophobicContact CD1-CZ3 3.49Å; Y1744-W2120 VanDerWaalsContact CD1-CZ3 3.46Å; Y1744-W2120 HydrophobicContact CE1-CE3 4.29Å; Y1744-W2120 AromaticContact CE1-CZ3 3.96Å; Y1744-W2120 HydrophobicContact CE1-CZ3 4.08Å; Y1744-W2120 HydrophobicContact CG-CE3 4.12Å; Y1744-W2120 HydrophobicContact CG-CZ3 4.48Å; P1745-W2120 HydrophobicContact CB-CH2 3.99Å; P1745-W2120 HydrophobicContact CB-CZ2 3.92Å; P1745-W2120 HydrophobicContact CG-CD2 4.5Å; P1745-W2120 HydrophobicContact CG-CH2 4.35Å; P1745-W2120 HydrophobicContact CG-CZ2 3.9Å; V2044-W2120 HydrophobicContact CB-CZ3 4.49Å; V2044-W2120 HydrophobicContact CG1-CE3 3.81Å; V2044-W2120 HydrophobicContact CG1-CH2 4.47Å; V2044-W2120 HydrophobicContact CG1-CZ3 3.62Å; V2044-W2120 HydrophobicContact CG2-CZ3 4.42Å; P2045-W2120 HydrophobicContact CB-CB 3.97Å; P2045-W2120 HydrophobicContact CG-CB 4.35Å; C2115-W2120 HydrophobicContact CB-CZ3 4.5Å; C2115-W2120 WeakPolarHBondContact O-CH2 3.37Å; C2115-W2120 PolarHBondContact O-NE1 3.3Å; G2118-W2120 VanDerWaalsContact C-N 3.29Å; G2118-W2120 PolarHBondContact O-N 3.1Å; G2118-W2120 VanDerWaalsContact O-N 3.09Å; G2118-W2120 PolarHBondContact O-NE1 2.79Å; W2120-M2123 HydrophobicContact CB-CE 4.1Å; W2120-M2123 HydrophobicContact CE3-CE 3.79Å; W2120-M2123 HydrophobicContact CE3-SD 3.73Å; W2120-M2123 HydrophobicContact CG-CE 4.27Å; W2120-M2123 HydrophobicContact CZ3-CE 4.38Å; W2120-M2123 HydrophobicContact CZ3-SD 3.89Å; W2120-A2124 WeakPolarHBondContact O-CB 3.28Å; W2120-A2124 PolarHBondContact O-N 3.31Å; W2120-L2179 HydrophobicContact CD2-CD2 3.74Å; W2120-L2179 HydrophobicContact CE3-CD2 4.03Å; W2120-L2179 HydrophobicContact CG-CD2 4.21Å; W2120-L2179 HydrophobicContact CH2-CD2 4.16Å; W2120-L2179 HydrophobicContact CZ2-CD2 3.82Å; W2120-L2179 HydrophobicContact CZ3-CD2 4.14Å; W2120-R2182 HydrophobicContact CH2-CB 4.3Å; W2120-R2182 HydrophobicContact CZ2-CB 4.35Å |
| 2121 | E | 81.3 | Confident | 84 | Confident | 21 Ų | 21 | 32 Ų | 32 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -47 | 172.5 | 67.1 | -62.7 | 150.7 | 0 | 0 | 112 | L1801 A1804 A1805 P1811 N2119 A2124 H2125 | L1801-E2121 HydrophobicContact CD2-CG 4.41Å; A1804-E2121 HydrophobicContact CB-CB 4.45Å; A1805-E2121 HydrophobicContact CB-CB 4.05Å; P1811-E2121 HydrophobicContact CB-CG 4.09Å; N2119-E2121 VanDerWaalsContact C-N 3.28Å; N2119-E2121 VanDerWaalsContact C-OE1 3.24Å; N2119-E2121 VanDerWaalsContact C-OE2 3.28Å; N2119-E2121 VanDerWaalsContact CA-OE1 3.26Å; N2119-E2121 WeakPolarHBondContact CA-OE1 3.29Å; N2119-E2121 WeakPolarHBondContact CA-OE2 3.41Å; N2119-E2121 WeakPolarHBondContact CB-OE1 3.4Å; N2119-E2121 PolarHBondContact O-N 3.14Å; E2121-A2124 PolarHBondContact O-N 3.24Å; E2121-H2125 PolarHBondContact O-CD2 3.1Å; E2121-H2125 PolarHBondContact O-N 3.29Å; E2121-H2125 VanDerWaalsContact O-N 3.08Å |
| 2122 | I | 82.6 | Confident | 84.2 | Confident | 61.8 Ų | 61.8 | 34.9 Ų | 34.9 | 32% | 0.317 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.8 | -40.8 | 176.9 | -57.3 | 175 | 0 | 0 | 0 | 110.4 | N2114 N2119 A2124 H2125 N2126 | N2114-I2122 HydrophobicContact CB-CG2 4.46Å; N2114-I2122 VanDerWaalsContact ND2-CG2 3.32Å; N2114-I2122 WeakPolarHBondContact ND2-CG2 3.27Å; N2119-I2122 HydrophobicContact CB-CB 4.35Å; N2119-I2122 HydrophobicContact CB-CD1 4.27Å; N2119-I2122 HydrophobicContact CB-CG1 4.34Å; N2119-I2122 PolarHBondContact O-N 3.09Å; I2122-A2124 VanDerWaalsContact C-N 3.3Å; I2122-A2124 PolarHBondContact O-N 3.17Å; I2122-H2125 WeakPolarHBondContact O-CB 3.43Å; I2122-H2125 PolarHBondContact O-N 3.11Å; I2122-H2125 VanDerWaalsContact O-N 3.16Å; I2122-N2126 VanDerWaalsContact O-CG 3.29Å; I2122-N2126 PolarHBondContact O-N 2.98Å; I2122-N2126 PolarHBondContact O-OD1 3.43Å |
| 2123 | M | 86.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.3 | -43 | 174.3 | -179.1 | -158.9 | 71.4 | 0 | 0 | 111.6 | T2111 N2114 C2115 N2119 W2120 H2125 N2126 L2127 V2175 L2179 | T2111-M2123 HydrophobicContact CG2-CG 3.67Å; N2114-M2123 HydrophobicContact CB-CB 4.14Å; C2115-M2123 HydrophobicContact CB-CG 4.37Å; C2115-M2123 HydrophobicContact CB-SD 3.69Å; C2115-M2123 VanDerWaalsContact CB-SD 3.57Å; N2119-M2123 WeakPolarHBondContact O-CB 3.44Å; N2119-M2123 PolarHBondContact O-N 3.03Å; N2119-M2123 VanDerWaalsContact O-N 3.12Å; W2120-M2123 HydrophobicContact CB-CE 4.1Å; W2120-M2123 HydrophobicContact CE3-CE 3.79Å; W2120-M2123 HydrophobicContact CE3-SD 3.73Å; W2120-M2123 HydrophobicContact CG-CE 4.27Å; W2120-M2123 HydrophobicContact CZ3-CE 4.38Å; W2120-M2123 HydrophobicContact CZ3-SD 3.89Å; M2123-H2125 VanDerWaalsContact C-N 3.33Å; M2123-H2125 PolarHBondContact O-N 3.04Å; M2123-N2126 PolarHBondContact O-N 3.2Å; M2123-L2127 HydrophobicContact CE-CD1 4.2Å; M2123-L2127 HydrophobicContact CG-CD1 4.19Å; M2123-L2127 WeakPolarHBondContact O-CB 3.41Å; M2123-L2127 WeakPolarHBondContact O-CD1 3.43Å; M2123-L2127 VanDerWaalsContact O-CG 3.27Å; M2123-L2127 WeakPolarHBondContact O-CG 3.43Å; M2123-L2127 PolarHBondContact O-N 3.06Å; M2123-V2175 HydrophobicContact SD-CG1 4.26Å; M2123-L2179 HydrophobicContact CE-CD1 3.76Å; M2123-L2179 HydrophobicContact CE-CD2 3.79Å; M2123-L2179 HydrophobicContact CE-CG 4.35Å; M2123-L2179 HydrophobicContact SD-CD1 4.43Å; M2123-L2179 HydrophobicContact SD-CD2 4.25Å |
| 2124 | A | 86.4 | Confident | 85.1 | Confident | 1.4 Ų | 1.4 | 34.2 Ų | 34.2 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1805 W2120 E2121 I2122 L2127 Y2128 | A1805-A2124 HydrophobicContact CB-CB 4.05Å; W2120-A2124 WeakPolarHBondContact O-CB 3.28Å; W2120-A2124 PolarHBondContact O-N 3.31Å; E2121-A2124 PolarHBondContact O-N 3.24Å; I2122-A2124 VanDerWaalsContact C-N 3.3Å; I2122-A2124 PolarHBondContact O-N 3.17Å; A2124-L2127 PolarHBondContact O-N 3.44Å; A2124-Y2128 WeakPolarHBondContact O-CB 3.35Å; A2124-Y2128 PolarHBondContact O-N 2.99Å |
| 2125 | H | 86.9 | Confident | 85.6 | Confident | 36.2 Ų | 36.2 | 35.1 Ų | 35.1 | 17% | 0.168 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 173.3 | -80.3 | -68.4 | 0 | 0 | 0 | 112.6 | A1804 H1806 S1809 E2121 I2122 M2123 L2127 Y2128 S2129 | A1804-H2125 PolarHBondContact O-NE2 3.19Å; H1806-H2125 PolarHBondContact O-CE1 3.1Å; H1806-H2125 PolarHBondContact O-NE2 3.36Å; S1809-H2125 PolarHBondContact O-CE1 3.19Å; S1809-H2125 PolarHBondContact O-NE2 3.14Å; E2121-H2125 PolarHBondContact O-CD2 3.1Å; E2121-H2125 PolarHBondContact O-N 3.29Å; E2121-H2125 VanDerWaalsContact O-N 3.08Å; I2122-H2125 WeakPolarHBondContact O-CB 3.43Å; I2122-H2125 PolarHBondContact O-N 3.11Å; I2122-H2125 VanDerWaalsContact O-N 3.16Å; M2123-H2125 VanDerWaalsContact C-N 3.33Å; M2123-H2125 PolarHBondContact O-N 3.04Å; H2125-L2127 VanDerWaalsContact C-N 3.32Å; H2125-L2127 PolarHBondContact O-N 3.11Å; H2125-Y2128 WeakPolarHBondContact O-CB 3.49Å; H2125-Y2128 PolarHBondContact O-N 3.12Å; H2125-Y2128 VanDerWaalsContact O-N 3.12Å; H2125-S2129 WeakPolarHBondContact O-CB 3.34Å; H2125-S2129 PolarHBondContact O-N 3.25Å; H2125-S2129 PolarHBondContact O-OG 3.32Å |
| 2126 | N | 87.6 | Confident | 86 | Confident | 14.2 Ų | 14.2 | 39.2 Ų | 39.2 | 8% | 0.076 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 176.8 | -67.3 | -14 | 0 | 0 | 0 | 111.2 | L2107 Q2110 T2111 N2114 I2122 M2123 Y2128 S2129 I2130 | L2107-N2126 HydrophobicContact CD2-CB 4.37Å; Q2110-N2126 WeakPolarHBondContact CB-ND2 3.28Å; T2111-N2126 VanDerWaalsContact OG1-CB 3.25Å; T2111-N2126 WeakPolarHBondContact OG1-CB 3.41Å; N2114-N2126 PolarHBondContact ND2-ND2 3Å; I2122-N2126 VanDerWaalsContact O-CG 3.29Å; I2122-N2126 PolarHBondContact O-N 2.98Å; I2122-N2126 PolarHBondContact O-OD1 3.43Å; M2123-N2126 PolarHBondContact O-N 3.2Å; N2126-Y2128 VanDerWaalsContact C-N 3.34Å; N2126-Y2128 PolarHBondContact O-N 3.31Å; N2126-S2129 WeakPolarHBondContact CA-OG 3.29Å; N2126-S2129 WeakPolarHBondContact O-CB 3.42Å; N2126-S2129 PolarHBondContact O-N 3.19Å; N2126-S2129 PolarHBondContact O-OG 2.96Å; N2126-I2130 VanDerWaalsContact O-CG1 3.31Å; N2126-I2130 WeakPolarHBondContact O-CG1 3.32Å; N2126-I2130 PolarHBondContact O-N 3.16Å |
| 2127 | L | 89.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 173.9 | -74.6 | 171 | 0 | 0 | 0 | 111.6 | T2049 C2050 I2053 T2111 M2123 A2124 H2125 S2129 I2130 S2131 I2172 V2175 | T2049-L2127 HydrophobicContact CG2-CB 3.95Å; C2050-L2127 VanDerWaalsContact SG-CD1 3.56Å; I2053-L2127 HydrophobicContact CD1-CB 3.81Å; I2053-L2127 HydrophobicContact CD1-CD2 4.01Å; I2053-L2127 HydrophobicContact CD1-CG 4.45Å; I2053-L2127 VanDerWaalsContact CD1-O 3.26Å; I2053-L2127 WeakPolarHBondContact CD1-O 3.35Å; T2111-L2127 HydrophobicContact CG2-CD1 4.45Å; T2111-L2127 HydrophobicContact CG2-CD2 3.83Å; T2111-L2127 HydrophobicContact CG2-CG 3.87Å; M2123-L2127 HydrophobicContact CE-CD1 4.2Å; M2123-L2127 HydrophobicContact CG-CD1 4.19Å; M2123-L2127 WeakPolarHBondContact O-CB 3.41Å; M2123-L2127 WeakPolarHBondContact O-CD1 3.43Å; M2123-L2127 VanDerWaalsContact O-CG 3.27Å; M2123-L2127 WeakPolarHBondContact O-CG 3.43Å; M2123-L2127 PolarHBondContact O-N 3.06Å; A2124-L2127 PolarHBondContact O-N 3.44Å; H2125-L2127 VanDerWaalsContact C-N 3.32Å; H2125-L2127 PolarHBondContact O-N 3.11Å; L2127-S2129 VanDerWaalsContact C-N 3.33Å; L2127-S2129 PolarHBondContact O-N 2.91Å; L2127-I2130 WeakPolarHBondContact O-CB 3.35Å; L2127-I2130 PolarHBondContact O-N 3.11Å; L2127-S2131 PolarHBondContact O-N 3.28Å; L2127-I2172 HydrophobicContact CD2-CD1 3.34Å; L2127-I2172 HydrophobicContact CD2-CG1 4.4Å; L2127-V2175 HydrophobicContact CD1-CG1 4.45Å |
| 2128 | Y | 88.8 | Confident | 87.6 | Confident | 104.6 Ų | 104.6 | 30.7 Ų | 30.7 | 41% | 0.41 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.5 | -176.7 | -95 | 0 | 0 | 0 | 112 | P1807 A2124 H2125 N2126 I2130 S2131 T2132 | P1807-Y2128 HydrophobicContact CB-CD1 3.67Å; P1807-Y2128 HydrophobicContact CB-CD2 3.59Å; P1807-Y2128 VanDerWaalsContact CB-CD2 3.5Å; P1807-Y2128 HydrophobicContact CB-CE1 3.76Å; P1807-Y2128 HydrophobicContact CB-CE2 3.68Å; P1807-Y2128 HydrophobicContact CB-CG 3.57Å; P1807-Y2128 HydrophobicContact CG-CD1 4.24Å; P1807-Y2128 HydrophobicContact CG-CD2 3.46Å; P1807-Y2128 HydrophobicContact CG-CE1 4.48Å; P1807-Y2128 HydrophobicContact CG-CE2 3.7Å; P1807-Y2128 HydrophobicContact CG-CG 3.81Å; A2124-Y2128 WeakPolarHBondContact O-CB 3.35Å; A2124-Y2128 PolarHBondContact O-N 2.99Å; H2125-Y2128 WeakPolarHBondContact O-CB 3.49Å; H2125-Y2128 PolarHBondContact O-N 3.12Å; H2125-Y2128 VanDerWaalsContact O-N 3.12Å; N2126-Y2128 VanDerWaalsContact C-N 3.34Å; N2126-Y2128 PolarHBondContact O-N 3.31Å; Y2128-I2130 VanDerWaalsContact C-N 3.33Å; Y2128-I2130 PolarHBondContact O-N 3.01Å; Y2128-S2131 WeakPolarHBondContact O-CA 3.44Å; Y2128-S2131 VanDerWaalsContact O-CB 3.26Å; Y2128-S2131 WeakPolarHBondContact O-CB 3.41Å; Y2128-S2131 PolarHBondContact O-N 3.16Å; Y2128-S2131 VanDerWaalsContact O-N 3.09Å; Y2128-T2132 HydrophobicContact CD1-CG2 4.23Å; Y2128-T2132 HydrophobicContact CE1-CG2 3.83Å; Y2128-T2132 PolarHBondContact O-N 3.1Å; Y2128-T2132 VanDerWaalsContact O-N 3.13Å; Y2128-T2132 PolarHBondContact O-OG1 3.24Å |
| 2129 | S | 89 | Confident | 88.2 | Confident | 35.8 Ų | 35.8 | 36.3 Ų | 36.3 | 25% | 0.25 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 176 | -46.9 | 0 | 0 | 0 | 0 | 111.3 | L2107 H2125 N2126 L2127 S2131 T2132 Y2133 | L2107-S2129 VanDerWaalsContact CD1-OG 3.29Å; L2107-S2129 WeakPolarHBondContact CD1-OG 3.32Å; L2107-S2129 WeakPolarHBondContact CD2-OG 3.38Å; H2125-S2129 WeakPolarHBondContact O-CB 3.34Å; H2125-S2129 PolarHBondContact O-N 3.25Å; H2125-S2129 PolarHBondContact O-OG 3.32Å; N2126-S2129 WeakPolarHBondContact CA-OG 3.29Å; N2126-S2129 WeakPolarHBondContact O-CB 3.42Å; N2126-S2129 PolarHBondContact O-N 3.19Å; N2126-S2129 PolarHBondContact O-OG 2.96Å; L2127-S2129 VanDerWaalsContact C-N 3.33Å; L2127-S2129 PolarHBondContact O-N 2.91Å; S2129-S2131 VanDerWaalsContact C-N 3.29Å; S2129-S2131 PolarHBondContact O-N 3Å; S2129-T2132 WeakPolarHBondContact O-CA 3.47Å; S2129-T2132 WeakPolarHBondContact O-CB 3.41Å; S2129-T2132 PolarHBondContact O-N 3.12Å; S2129-T2132 PolarHBondContact O-OG1 3.27Å; S2129-Y2133 WeakPolarHBondContact O-CD2 3.37Å; S2129-Y2133 PolarHBondContact O-N 3.19Å; S2129-Y2133 VanDerWaalsContact O-N 3.09Å |
| 2130 | I | 90.9 | Very high | 88.6 | Confident | 1.2 Ų | 1.2 | 35.2 Ų | 35.2 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.9 | -45.3 | 172.2 | -68.1 | 165.4 | 0 | 0 | 0 | 110.6 | L2107 N2126 L2127 Y2128 T2132 Y2133 L2134 M2168 | L2107-I2130 HydrophobicContact CB-CD1 3.96Å; L2107-I2130 HydrophobicContact CB-CG1 3.68Å; L2107-I2130 HydrophobicContact CD1-CG1 4.21Å; N2126-I2130 VanDerWaalsContact O-CG1 3.31Å; N2126-I2130 WeakPolarHBondContact O-CG1 3.32Å; N2126-I2130 PolarHBondContact O-N 3.16Å; L2127-I2130 WeakPolarHBondContact O-CB 3.35Å; L2127-I2130 PolarHBondContact O-N 3.11Å; Y2128-I2130 VanDerWaalsContact C-N 3.33Å; Y2128-I2130 PolarHBondContact O-N 3.01Å; I2130-T2132 PolarHBondContact O-N 3.04Å; I2130-T2132 VanDerWaalsContact O-N 3.13Å; I2130-Y2133 PolarHBondContact O-N 2.96Å; I2130-Y2133 VanDerWaalsContact O-N 3.16Å; I2130-L2134 HydrophobicContact CG2-CD1 3.8Å; I2130-L2134 HydrophobicContact CG2-CG 4.08Å; I2130-L2134 WeakPolarHBondContact O-CB 3.42Å; I2130-L2134 VanDerWaalsContact O-CG 3.29Å; I2130-L2134 WeakPolarHBondContact O-CG 3.42Å; I2130-L2134 PolarHBondContact O-N 3.15Å; I2130-L2134 VanDerWaalsContact O-N 3.08Å; I2130-M2168 HydrophobicContact CD1-CE 4.44Å; I2130-M2168 HydrophobicContact CG2-CE 3.88Å; I2130-M2168 HydrophobicContact CG2-SD 3.98Å |
| 2131 | S | 90.5 | Very high | 88.8 | Confident | 20.2 Ų | 20.2 | 34.4 Ų | 34.4 | 14% | 0.141 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.4 | -31 | 175.7 | -159.5 | 0 | 0 | 0 | 0 | 113.5 | L2127 Y2128 S2129 P2135 | L2127-S2131 PolarHBondContact O-N 3.28Å; Y2128-S2131 WeakPolarHBondContact O-CA 3.44Å; Y2128-S2131 VanDerWaalsContact O-CB 3.26Å; Y2128-S2131 WeakPolarHBondContact O-CB 3.41Å; Y2128-S2131 PolarHBondContact O-N 3.16Å; Y2128-S2131 VanDerWaalsContact O-N 3.09Å; S2129-S2131 VanDerWaalsContact C-N 3.29Å; S2129-S2131 PolarHBondContact O-N 3Å; S2131-P2135 VanDerWaalsContact O-CD 3.25Å; S2131-P2135 WeakPolarHBondContact O-CD 3.34Å; S2131-P2135 WeakPolarHBondContact O-CG 3.4Å |
| 2132 | T | 90.1 | Very high | 89.1 | Confident | 64 Ų | 64 | 35.6 Ų | 35.6 | 39% | 0.393 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -84 | -32.6 | 179.5 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | Y2128 S2129 I2130 | Y2128-T2132 HydrophobicContact CD1-CG2 4.23Å; Y2128-T2132 HydrophobicContact CE1-CG2 3.83Å; Y2128-T2132 PolarHBondContact O-N 3.1Å; Y2128-T2132 VanDerWaalsContact O-N 3.13Å; Y2128-T2132 PolarHBondContact O-OG1 3.24Å; S2129-T2132 WeakPolarHBondContact O-CA 3.47Å; S2129-T2132 WeakPolarHBondContact O-CB 3.41Å; S2129-T2132 PolarHBondContact O-N 3.12Å; S2129-T2132 PolarHBondContact O-OG1 3.27Å; I2130-T2132 PolarHBondContact O-N 3.04Å; I2130-T2132 VanDerWaalsContact O-N 3.13Å |
| 2133 | Y | 91.4 | Very high | 89.1 | Confident | 81.8 Ų | 81.8 | 39 Ų | 39 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -76.4 | -36.1 | 177.4 | -71.8 | -65.6 | 0 | 0 | 0 | 112.8 | T2100 Q2103 L2107 S2129 I2130 N2136 F2137 | T2100-Y2133 HydrophobicContact CG2-CD1 4.39Å; Q2103-Y2133 HydrophobicContact CB-CD2 4.49Å; Q2103-Y2133 HydrophobicContact CB-CE2 4.37Å; L2107-Y2133 HydrophobicContact CD1-CD2 3.78Å; L2107-Y2133 HydrophobicContact CD1-CE2 3.71Å; S2129-Y2133 WeakPolarHBondContact O-CD2 3.37Å; S2129-Y2133 PolarHBondContact O-N 3.19Å; S2129-Y2133 VanDerWaalsContact O-N 3.09Å; I2130-Y2133 PolarHBondContact O-N 2.96Å; I2130-Y2133 VanDerWaalsContact O-N 3.16Å; Y2133-N2136 PolarHBondContact O-N 3.06Å; Y2133-N2136 VanDerWaalsContact O-N 3.11Å; Y2133-F2137 PolarHBondContact O-N 3.12Å |
| 2134 | L | 92.6 | Very high | 89 | Confident | 0.2 Ų | 0.2 | 39 Ų | 39 | 0% | 0.001 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.7 | -47.4 | -176.7 | -78.1 | 169.6 | 0 | 0 | 0 | 114.1 | I2053 I2057 L2060 I2104 I2130 N2136 F2137 V2138 L2165 M2168 | I2053-L2134 HydrophobicContact CG2-CD1 4.05Å; I2057-L2134 HydrophobicContact CD1-CD1 4.14Å; I2057-L2134 HydrophobicContact CG1-CD1 3.88Å; L2060-L2134 HydrophobicContact CD1-CB 3.87Å; I2104-L2134 HydrophobicContact CD1-CD2 4.17Å; I2130-L2134 HydrophobicContact CG2-CD1 3.8Å; I2130-L2134 HydrophobicContact CG2-CG 4.08Å; I2130-L2134 WeakPolarHBondContact O-CB 3.42Å; I2130-L2134 VanDerWaalsContact O-CG 3.29Å; I2130-L2134 WeakPolarHBondContact O-CG 3.42Å; I2130-L2134 PolarHBondContact O-N 3.15Å; I2130-L2134 VanDerWaalsContact O-N 3.08Å; L2134-N2136 VanDerWaalsContact C-N 3.32Å; L2134-N2136 PolarHBondContact O-N 3.28Å; L2134-F2137 WeakPolarHBondContact O-CB 3.22Å; L2134-F2137 PolarHBondContact O-N 3.22Å; L2134-V2138 WeakPolarHBondContact O-CG2 3.44Å; L2134-V2138 PolarHBondContact O-N 2.96Å; L2134-V2138 VanDerWaalsContact O-N 3.12Å; L2134-L2165 HydrophobicContact CD2-CD2 3.8Å; L2134-M2168 HydrophobicContact CD1-CG 4.31Å; L2134-M2168 HydrophobicContact CD2-CG 4.41Å |
| 2135 | P | 92.3 | Very high | 88.8 | Confident | 38.4 Ų | 38.4 | 39.1 Ų | 39.1 | 25% | 0.249 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -33.4 | 177.4 | -24.3 | 34.1 | 0 | 0 | 0 | 114.1 | T2056 L2060 S2131 K2139 | T2056-P2135 HydrophobicContact CG2-CG 4.11Å; L2060-P2135 HydrophobicContact CD1-CG 4.32Å; L2060-P2135 HydrophobicContact CD2-CB 4.34Å; S2131-P2135 VanDerWaalsContact O-CD 3.25Å; S2131-P2135 WeakPolarHBondContact O-CD 3.34Å; S2131-P2135 WeakPolarHBondContact O-CG 3.4Å; P2135-K2139 VanDerWaalsContact O-CB 3.23Å; P2135-K2139 WeakPolarHBondContact O-CB 3.3Å; P2135-K2139 WeakPolarHBondContact O-CD 3.4Å; P2135-K2139 VanDerWaalsContact O-CE 3.22Å; P2135-K2139 WeakPolarHBondContact O-CE 3.43Å; P2135-K2139 WeakPolarHBondContact O-CG 3.37Å; P2135-K2139 PolarHBondContact O-N 3.28Å; P2135-K2139 VanDerWaalsContact O-N 3.16Å |
| 2136 | N | 89.8 | Confident | 88.4 | Confident | 90 Ų | 90 | 39.9 Ų | 39.9 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -73.7 | -43.9 | 178.5 | -70.2 | -26 | 0 | 0 | 0 | 110.7 | Y2133 L2134 V2138 K2139 E2140 | Y2133-N2136 PolarHBondContact O-N 3.06Å; Y2133-N2136 VanDerWaalsContact O-N 3.11Å; L2134-N2136 VanDerWaalsContact C-N 3.32Å; L2134-N2136 PolarHBondContact O-N 3.28Å; N2136-V2138 VanDerWaalsContact C-N 3.35Å; N2136-V2138 PolarHBondContact O-N 3.08Å; N2136-K2139 PolarHBondContact O-N 3.16Å; N2136-E2140 VanDerWaalsContact O-CB 3.3Å; N2136-E2140 WeakPolarHBondContact O-CB 3.42Å; N2136-E2140 PolarHBondContact O-N 3.09Å |
| 2137 | F | 92.5 | Very high | 87.9 | Confident | 0.2 Ų | 0.2 | 41 Ų | 41 | 0% | 0.001 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53 | -51.4 | 173.8 | 170.4 | -108.6 | 0 | 0 | 0 | 111.7 | I2097 M2101 I2104 Y2133 L2134 K2139 E2140 S2141 T2161 V2164 L2209 | I2097-F2137 HydrophobicContact CG2-CD2 4.07Å; I2097-F2137 HydrophobicContact CG2-CE2 3.77Å; M2101-F2137 HydrophobicContact CB-CE2 4.21Å; I2104-F2137 HydrophobicContact CD1-CB 4.24Å; I2104-F2137 HydrophobicContact CD1-CG 4.32Å; Y2133-F2137 PolarHBondContact O-N 3.12Å; L2134-F2137 WeakPolarHBondContact O-CB 3.22Å; L2134-F2137 PolarHBondContact O-N 3.22Å; F2137-K2139 PolarHBondContact O-N 3.02Å; F2137-E2140 PolarHBondContact O-N 3.14Å; F2137-S2141 WeakPolarHBondContact O-CB 3.4Å; F2137-S2141 PolarHBondContact O-N 3.22Å; F2137-S2141 PolarHBondContact O-OG 3.15Å; F2137-T2161 HydrophobicContact CD1-CG2 4.46Å; F2137-T2161 HydrophobicContact CE1-CG2 3.78Å; F2137-T2161 HydrophobicContact CZ-CG2 4.12Å; F2137-V2164 HydrophobicContact CE1-CB 4.29Å; F2137-V2164 HydrophobicContact CE1-CG1 3.94Å; F2137-V2164 HydrophobicContact CZ-CB 4.22Å; F2137-V2164 HydrophobicContact CZ-CG1 3.96Å; F2137-V2164 HydrophobicContact CZ-CG2 4.49Å; F2137-L2209 HydrophobicContact CE2-CD2 3.65Å; F2137-L2209 HydrophobicContact CZ-CD2 3.49Å; F2137-L2209 VanDerWaalsContact CZ-CD2 3.48Å |
| 2138 | V | 91.9 | Very high | 87.4 | Confident | 1.2 Ų | 1.2 | 41.2 Ų | 41.2 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69 | -40.9 | -178.5 | 176.5 | 0 | 0 | 0 | 0 | 112.4 | L2060 L2064 L2134 N2136 E2140 S2141 I2142 T2161 L2165 | L2060-V2138 HydrophobicContact CB-CB 4.49Å; L2060-V2138 HydrophobicContact CB-CG1 4.36Å; L2060-V2138 HydrophobicContact CB-CG2 4.14Å; L2060-V2138 HydrophobicContact CD1-CB 4.5Å; L2060-V2138 HydrophobicContact CD1-CG2 4.09Å; L2060-V2138 HydrophobicContact CD2-CB 4.12Å; L2060-V2138 HydrophobicContact CD2-CG1 4.24Å; L2060-V2138 HydrophobicContact CD2-CG2 4.44Å; L2060-V2138 HydrophobicContact CG-CG2 4.43Å; L2064-V2138 HydrophobicContact CB-CG1 4.41Å; L2064-V2138 HydrophobicContact CD1-CG1 4.47Å; L2134-V2138 WeakPolarHBondContact O-CG2 3.44Å; L2134-V2138 PolarHBondContact O-N 2.96Å; L2134-V2138 VanDerWaalsContact O-N 3.12Å; N2136-V2138 VanDerWaalsContact C-N 3.35Å; N2136-V2138 PolarHBondContact O-N 3.08Å; V2138-E2140 VanDerWaalsContact C-N 3.32Å; V2138-E2140 PolarHBondContact O-N 3.07Å; V2138-S2141 PolarHBondContact O-N 3.27Å; V2138-I2142 HydrophobicContact CG1-CD1 3.8Å; V2138-I2142 HydrophobicContact CG1-CG1 4.41Å; V2138-I2142 WeakPolarHBondContact O-CB 3.46Å; V2138-I2142 VanDerWaalsContact O-CG1 3.29Å; V2138-I2142 WeakPolarHBondContact O-CG1 3.33Å; V2138-I2142 PolarHBondContact O-N 3.15Å; V2138-T2161 HydrophobicContact CG2-CG2 4.44Å; V2138-L2165 HydrophobicContact CG2-CD1 3.75Å; V2138-L2165 HydrophobicContact CG2-CD2 3.82Å; V2138-L2165 HydrophobicContact CG2-CG 4.18Å |
| 2139 | K | 88.4 | Confident | 86.7 | Confident | 124.8 Ų | 124.8 | 43.1 Ų | 43.1 | 54% | 0.543 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.3 | -113.2 | 176.3 | -174.9 | 176.4 | 0 | 111.8 | P2135 N2136 F2137 I2142 R2143 | P2135-K2139 VanDerWaalsContact O-CB 3.23Å; P2135-K2139 WeakPolarHBondContact O-CB 3.3Å; P2135-K2139 WeakPolarHBondContact O-CD 3.4Å; P2135-K2139 VanDerWaalsContact O-CE 3.22Å; P2135-K2139 WeakPolarHBondContact O-CE 3.43Å; P2135-K2139 WeakPolarHBondContact O-CG 3.37Å; P2135-K2139 PolarHBondContact O-N 3.28Å; P2135-K2139 VanDerWaalsContact O-N 3.16Å; N2136-K2139 PolarHBondContact O-N 3.16Å; F2137-K2139 PolarHBondContact O-N 3.02Å; K2139-I2142 PolarHBondContact O-N 3.3Å; K2139-R2143 WeakPolarHBondContact O-CB 3.32Å; K2139-R2143 PolarHBondContact O-N 3.02Å |
| 2140 | E | 87.5 | Confident | 86 | Confident | 23.4 Ų | 23.4 | 46.3 Ų | 46.3 | 11% | 0.109 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.5 | -39.5 | 178.7 | -155.7 | 61.8 | -119.7 | 0 | 0 | 111.6 | S2093 L2096 I2097 N2136 F2137 V2138 I2142 R2143 T2144 | S2093-E2140 WeakPolarHBondContact CA-OE1 3.27Å; S2093-E2140 WeakPolarHBondContact CB-OE1 3.41Å; S2093-E2140 VanDerWaalsContact O-CG 3.29Å; S2093-E2140 WeakPolarHBondContact O-CG 3.43Å; S2093-E2140 PolarHBondContact OG-OE1 3.07Å; L2096-E2140 HydrophobicContact CB-CG 4.04Å; I2097-E2140 HydrophobicContact CD1-CB 4.45Å; I2097-E2140 HydrophobicContact CD1-CG 4.28Å; I2097-E2140 HydrophobicContact CG1-CB 3.8Å; I2097-E2140 HydrophobicContact CG1-CG 3.76Å; N2136-E2140 VanDerWaalsContact O-CB 3.3Å; N2136-E2140 WeakPolarHBondContact O-CB 3.42Å; N2136-E2140 PolarHBondContact O-N 3.09Å; F2137-E2140 PolarHBondContact O-N 3.14Å; V2138-E2140 VanDerWaalsContact C-N 3.32Å; V2138-E2140 PolarHBondContact O-N 3.07Å; E2140-I2142 PolarHBondContact O-N 2.91Å; E2140-R2143 PolarHBondContact O-N 3.14Å; E2140-R2143 IonicContact OE1-CZ 3.48Å; E2140-R2143 IonicContact OE1-NE 2.9Å; E2140-R2143 IonicContact OE1-NH1 3.19Å; E2140-R2143 PolarHBondContact OE1-NH1 3.23Å; E2140-R2143 IonicContact OE2-CZ 3.2Å; E2140-R2143 IonicContact OE2-NH1 3.23Å; E2140-R2143 PolarHBondContact OE2-NH1 3.09Å; E2140-R2143 IonicContact OE2-NH2 2.65Å; E2140-T2144 WeakPolarHBondContact O-CB 3.34Å; E2140-T2144 PolarHBondContact O-N 3.24Å; E2140-T2144 PolarHBondContact O-OG1 3.07Å |
| 2141 | S | 89 | Confident | 85.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 172.4 | -79.2 | 0 | 0 | 0 | 0 | 112 | F2137 V2138 R2143 T2144 C2145 T2161 | F2137-S2141 WeakPolarHBondContact O-CB 3.4Å; F2137-S2141 PolarHBondContact O-N 3.22Å; F2137-S2141 PolarHBondContact O-OG 3.15Å; V2138-S2141 PolarHBondContact O-N 3.27Å; S2141-R2143 VanDerWaalsContact C-N 3.34Å; S2141-R2143 PolarHBondContact O-N 3.2Å; S2141-T2144 WeakPolarHBondContact O-CB 3.49Å; S2141-T2144 PolarHBondContact O-N 3.29Å; S2141-C2145 WeakPolarHBondContact O-CB 3.32Å; S2141-C2145 PolarHBondContact O-N 3.16Å; S2141-C2145 PolarHBondContact O-SG 2.98Å; S2141-T2161 VanDerWaalsContact CB-OG1 3.3Å; S2141-T2161 WeakPolarHBondContact CB-OG1 3.3Å; S2141-T2161 WeakPolarHBondContact OG-CG2 3.39Å; S2141-T2161 PolarHBondContact OG-OG1 3.18Å |
| 2142 | I | 86.3 | Confident | 85.2 | Confident | 47.6 Ų | 47.6 | 52.6 Ų | 52.6 | 24% | 0.244 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.6 | -69 | 167 | 0 | 0 | 0 | 111.1 | L2064 A2067 V2138 K2139 E2140 T2144 C2145 G2146 | L2064-I2142 HydrophobicContact CD1-CD1 4.37Å; L2064-I2142 HydrophobicContact CD1-CG1 3.95Å; A2067-I2142 HydrophobicContact CB-CB 4.29Å; A2067-I2142 HydrophobicContact CB-CD1 3.96Å; A2067-I2142 HydrophobicContact CB-CG1 3.83Å; A2067-I2142 HydrophobicContact CB-CG2 3.79Å; V2138-I2142 HydrophobicContact CG1-CD1 3.8Å; V2138-I2142 HydrophobicContact CG1-CG1 4.41Å; V2138-I2142 WeakPolarHBondContact O-CB 3.46Å; V2138-I2142 VanDerWaalsContact O-CG1 3.29Å; V2138-I2142 WeakPolarHBondContact O-CG1 3.33Å; V2138-I2142 PolarHBondContact O-N 3.15Å; K2139-I2142 PolarHBondContact O-N 3.3Å; E2140-I2142 PolarHBondContact O-N 2.91Å; I2142-T2144 VanDerWaalsContact C-N 3.34Å; I2142-T2144 PolarHBondContact O-N 3.17Å; I2142-C2145 WeakPolarHBondContact O-CB 3.44Å; I2142-C2145 PolarHBondContact O-N 3.25Å; I2142-G2146 PolarHBondContact O-N 3.2Å; I2142-G2146 VanDerWaalsContact O-N 3.12Å |
| 2143 | R | 83.3 | Confident | 84.9 | Confident | 133 Ų | 133 | 50 Ų | 50 | 50% | 0.502 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.6 | -173.9 | -175.1 | -64.4 | 119.7 | -4.8 | 111.2 | K2139 E2140 S2141 C2145 G2146 S2147 | K2139-R2143 WeakPolarHBondContact O-CB 3.32Å; K2139-R2143 PolarHBondContact O-N 3.02Å; E2140-R2143 PolarHBondContact O-N 3.14Å; E2140-R2143 IonicContact OE1-CZ 3.48Å; E2140-R2143 IonicContact OE1-NE 2.9Å; E2140-R2143 IonicContact OE1-NH1 3.19Å; E2140-R2143 PolarHBondContact OE1-NH1 3.23Å; E2140-R2143 IonicContact OE2-CZ 3.2Å; E2140-R2143 IonicContact OE2-NH1 3.23Å; E2140-R2143 PolarHBondContact OE2-NH1 3.09Å; E2140-R2143 IonicContact OE2-NH2 2.65Å; S2141-R2143 VanDerWaalsContact C-N 3.34Å; S2141-R2143 PolarHBondContact O-N 3.2Å; R2143-C2145 PolarHBondContact O-N 3.49Å; R2143-G2146 PolarHBondContact O-N 3.3Å; R2143-G2146 VanDerWaalsContact O-N 3.12Å; R2143-S2147 PolarHBondContact O-N 3.22Å; R2143-S2147 PolarHBondContact O-OG 3.27Å |
| 2144 | T | 83.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -48.2 | 178.1 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | L2090 S2093 L2094 I2097 E2140 S2141 I2142 G2146 S2147 L2148 L2157 | L2090-T2144 HydrophobicContact CD1-CG2 3.74Å; S2093-T2144 VanDerWaalsContact CB-OG1 3.31Å; S2093-T2144 WeakPolarHBondContact CB-OG1 3.42Å; S2093-T2144 PolarHBondContact OG-OG1 2.97Å; L2094-T2144 HydrophobicContact CD2-CG2 3.66Å; L2094-T2144 HydrophobicContact CG-CG2 4.23Å; I2097-T2144 HydrophobicContact CD1-CG2 4.28Å; I2097-T2144 VanDerWaalsContact CD1-OG1 3.28Å; I2097-T2144 WeakPolarHBondContact CD1-OG1 3.28Å; E2140-T2144 WeakPolarHBondContact O-CB 3.34Å; E2140-T2144 PolarHBondContact O-N 3.24Å; E2140-T2144 PolarHBondContact O-OG1 3.07Å; S2141-T2144 WeakPolarHBondContact O-CB 3.49Å; S2141-T2144 PolarHBondContact O-N 3.29Å; I2142-T2144 VanDerWaalsContact C-N 3.34Å; I2142-T2144 PolarHBondContact O-N 3.17Å; T2144-G2146 VanDerWaalsContact C-N 3.26Å; T2144-G2146 PolarHBondContact O-N 3.2Å; T2144-S2147 WeakPolarHBondContact CA-OG 3.28Å; T2144-S2147 WeakPolarHBondContact O-CA 3.37Å; T2144-S2147 PolarHBondContact O-N 2.96Å; T2144-S2147 PolarHBondContact O-OG 3.16Å; T2144-L2148 HydrophobicContact CG2-CD1 4.37Å; T2144-L2148 HydrophobicContact CG2-CD2 4.45Å; T2144-L2148 HydrophobicContact CG2-CG 4.31Å; T2144-L2148 WeakPolarHBondContact O-CG 3.36Å; T2144-L2148 PolarHBondContact O-N 3.22Å; T2144-L2148 VanDerWaalsContact O-N 3.13Å; T2144-L2157 HydrophobicContact CG2-CD2 3.5Å; T2144-L2157 VanDerWaalsContact CG2-CD2 3.48Å |
| 2145 | C | 83.5 | Confident | 84.2 | Confident | 2.8 Ų | 2.8 | 49.7 Ų | 49.7 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.6 | -40.2 | 173.5 | -72.8 | 0 | 0 | 0 | 0 | 112.7 | S2141 I2142 R2143 S2147 L2148 Q2154 L2157 N2158 | S2141-C2145 WeakPolarHBondContact O-CB 3.32Å; S2141-C2145 PolarHBondContact O-N 3.16Å; S2141-C2145 PolarHBondContact O-SG 2.98Å; I2142-C2145 WeakPolarHBondContact O-CB 3.44Å; I2142-C2145 PolarHBondContact O-N 3.25Å; R2143-C2145 PolarHBondContact O-N 3.49Å; C2145-S2147 VanDerWaalsContact C-N 3.29Å; C2145-S2147 PolarHBondContact O-N 3.09Å; C2145-L2148 PolarHBondContact O-N 3.22Å; C2145-Q2154 VanDerWaalsContact O-CD 3.24Å; C2145-Q2154 VanDerWaalsContact O-CG 3.28Å; C2145-Q2154 WeakPolarHBondContact O-CG 3.35Å; C2145-Q2154 PolarHBondContact O-NE2 3.12Å; C2145-Q2154 VanDerWaalsContact O-NE2 3.16Å; C2145-L2157 VanDerWaalsContact SG-CD2 3.57Å; C2145-N2158 PolarHBondContact SG-ND2 3.18Å; C2145-N2158 VanDerWaalsContact SG-ND2 3.42Å; C2145-N2158 PolarHBondContact SG-OD1 3.16Å |
| 2146 | G | 78.2 | Confident | 84 | Confident | 53.6 Ų | 53.6 | 51.2 Ų | 51.2 | 55% | 0.553 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.8 | -21.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I2142 R2143 T2144 | I2142-G2146 PolarHBondContact O-N 3.2Å; I2142-G2146 VanDerWaalsContact O-N 3.12Å; R2143-G2146 PolarHBondContact O-N 3.3Å; R2143-G2146 VanDerWaalsContact O-N 3.12Å; T2144-G2146 VanDerWaalsContact C-N 3.26Å; T2144-G2146 PolarHBondContact O-N 3.2Å |
| 2147 | S | 76.5 | Confident | 84 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -97.5 | -17.6 | -179.2 | 57.6 | 0 | 0 | 0 | 0 | 115 | L2090 R2143 T2144 C2145 | L2090-S2147 VanDerWaalsContact CD1-OG 3.25Å; L2090-S2147 WeakPolarHBondContact CD1-OG 3.39Å; R2143-S2147 PolarHBondContact O-N 3.22Å; R2143-S2147 PolarHBondContact O-OG 3.27Å; T2144-S2147 WeakPolarHBondContact CA-OG 3.28Å; T2144-S2147 WeakPolarHBondContact O-CA 3.37Å; T2144-S2147 PolarHBondContact O-N 2.96Å; T2144-S2147 PolarHBondContact O-OG 3.16Å; C2145-S2147 VanDerWaalsContact C-N 3.29Å; C2145-S2147 PolarHBondContact O-N 3.09Å |
| 2148 | L | 78 | Confident | 83.9 | Confident | 5.6 Ų | 5.6 | 47.1 Ų | 47.1 | 3% | 0.029 | 25% | 0.246 | C | C | . | . | trans | -68 | 142.3 | 179.3 | -65.9 | 172.5 | 0 | 0 | 0 | 111.6 | L2090 T2144 C2145 D2153 Q2154 L2157 I2216 | L2090-L2148 HydrophobicContact CD1-CD2 3.87Å; L2090-L2148 HydrophobicContact CD1-CG 4.35Å; L2090-L2148 HydrophobicContact CD2-CD2 4.29Å; T2144-L2148 HydrophobicContact CG2-CD1 4.37Å; T2144-L2148 HydrophobicContact CG2-CD2 4.45Å; T2144-L2148 HydrophobicContact CG2-CG 4.31Å; T2144-L2148 WeakPolarHBondContact O-CG 3.36Å; T2144-L2148 PolarHBondContact O-N 3.22Å; T2144-L2148 VanDerWaalsContact O-N 3.13Å; C2145-L2148 PolarHBondContact O-N 3.22Å; L2148-D2153 HydrophobicContact CB-CB 4.37Å; L2148-D2153 HydrophobicContact CD1-CB 4.01Å; L2148-D2153 HydrophobicContact CG-CB 4.47Å; L2148-Q2154 HydrophobicContact CB-CG 3.75Å; L2148-Q2154 HydrophobicContact CD1-CG 4.22Å; L2148-Q2154 HydrophobicContact CG-CG 4.42Å; L2148-Q2154 PolarHBondContact O-NE2 3.41Å; L2148-L2157 HydrophobicContact CD1-CB 4.4Å; L2148-L2157 HydrophobicContact CD1-CD2 3.89Å; L2148-I2216 HydrophobicContact CD1-CD1 3.97Å; L2148-I2216 HydrophobicContact CD2-CB 4.41Å; L2148-I2216 HydrophobicContact CD2-CD1 4.25Å; L2148-I2216 HydrophobicContact CD2-CG1 4.36Å; L2148-I2216 HydrophobicContact CD2-CG2 3.41Å; L2148-I2216 VanDerWaalsContact CD2-CG2 3.4Å | ||
| 2149 | M | 74 | Confident | 83.8 | Confident | 144.6 Ų | 144.6 | 49.7 Ų | 49.7 | 71% | 0.712 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -82 | -34.6 | -178.7 | -65 | -154.4 | 88.5 | 0 | 0 | 113.8 | Y2083 Q2220 | Y2083-M2149 HydrophobicContact CD1-CE 4.43Å; Y2083-M2149 HydrophobicContact CE1-CE 4.48Å; M2149-Q2220 VanDerWaalsContact N-OE1 3.12Å |
| 2150 | R | 76 | Confident | 84 | Confident | 103.2 Ų | 103.2 | 45 Ų | 45 | 39% | 0.389 | 25% | 0.245 | S | C | . | . | trans | -94.9 | 131.6 | -176 | -61 | -176.1 | -101.6 | -171.6 | -2.3 | 111.3 | S2152 D2153 Q2154 E2219 | R2150-S2152 VanDerWaalsContact C-N 3.28Å; R2150-S2152 WeakPolarHBondContact CB-OG 3.28Å; R2150-S2152 PolarHBondContact O-N 3.17Å; R2150-D2153 HydrophobicContact CB-CB 4.32Å; R2150-D2153 WeakPolarHBondContact CB-OD2 3.5Å; R2150-D2153 WeakPolarHBondContact CD-OD2 3.47Å; R2150-D2153 IonicContact CZ-OD1 3.07Å; R2150-D2153 VanDerWaalsContact CZ-OD1 3.32Å; R2150-D2153 IonicContact CZ-OD2 3.16Å; R2150-D2153 VanDerWaalsContact NE-CG 3.33Å; R2150-D2153 IonicContact NE-OD1 3.38Å; R2150-D2153 PolarHBondContact NE-OD1 3.26Å; R2150-D2153 IonicContact NE-OD2 3.21Å; R2150-D2153 PolarHBondContact NE-OD2 3.17Å; R2150-D2153 IonicContact NH1-OD2 3.35Å; R2150-D2153 VanDerWaalsContact NH2-CG 3.29Å; R2150-D2153 IonicContact NH2-OD1 3.59Å; R2150-D2153 PolarHBondContact NH2-OD1 2.99Å; R2150-D2153 IonicContact NH2-OD2 3.39Å; R2150-D2153 PolarHBondContact NH2-OD2 2.99Å; R2150-D2153 VanDerWaalsContact NH2-OD2 3.15Å; R2150-D2153 PolarHBondContact O-N 3.12Å; R2150-D2153 VanDerWaalsContact O-N 3.17Å; R2150-Q2154 WeakPolarHBondContact O-CG 3.28Å; R2150-Q2154 PolarHBondContact O-N 3.13Å; R2150-Q2154 VanDerWaalsContact O-N 3.12Å; R2150-E2219 VanDerWaalsContact CZ-CD 3.48Å; R2150-E2219 IonicContact CZ-OE1 3.34Å; R2150-E2219 VanDerWaalsContact CZ-OE1 3.3Å; R2150-E2219 IonicContact CZ-OE2 3.29Å; R2150-E2219 VanDerWaalsContact CZ-OE2 3.32Å; R2150-E2219 IonicContact NH1-OE1 3.34Å; R2150-E2219 PolarHBondContact NH1-OE1 3.08Å; R2150-E2219 IonicContact NH1-OE2 3.18Å; R2150-E2219 PolarHBondContact NH1-OE2 2.93Å; R2150-E2219 IonicContact NH2-OE1 3.45Å; R2150-E2219 PolarHBondContact NH2-OE1 3.15Å; R2150-E2219 VanDerWaalsContact NH2-OE1 3.1Å; R2150-E2219 IonicContact NH2-OE2 3.02Å; R2150-E2219 PolarHBondContact NH2-OE2 3.25Å | ||
| 2151 | L | 78.9 | Confident | 84.2 | Confident | 95.2 Ų | 95.2 | 43.9 Ų | 43.9 | 50% | 0.498 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -34 | 178 | -171.3 | 67.8 | 0 | 0 | 0 | 112.1 | V2071 N2072 D2153 Q2154 T2155 | V2071-L2151 HydrophobicContact CG1-CD1 4.02Å; N2072-L2151 WeakPolarHBondContact OD1-CD1 3.44Å; L2151-D2153 VanDerWaalsContact C-N 3.31Å; L2151-D2153 PolarHBondContact O-N 3.13Å; L2151-Q2154 HydrophobicContact CD1-CB 4.47Å; L2151-Q2154 WeakPolarHBondContact O-CB 3.35Å; L2151-Q2154 PolarHBondContact O-N 3.24Å; L2151-T2155 HydrophobicContact CG-CG2 4.47Å; L2151-T2155 WeakPolarHBondContact O-CG2 3.41Å; L2151-T2155 PolarHBondContact O-N 3.17Å; L2151-T2155 PolarHBondContact O-OG1 2.99Å; L2151-T2155 VanDerWaalsContact O-OG1 3.12Å |
| 2152 | S | 84.5 | Confident | 84.4 | Confident | 58.8 Ų | 58.8 | 47.9 Ų | 47.9 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 174.4 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | R2150 Q2154 T2155 N2156 | R2150-S2152 VanDerWaalsContact C-N 3.28Å; R2150-S2152 WeakPolarHBondContact CB-OG 3.28Å; R2150-S2152 PolarHBondContact O-N 3.17Å; S2152-Q2154 VanDerWaalsContact C-N 3.34Å; S2152-T2155 WeakPolarHBondContact CA-OG1 3.45Å; S2152-T2155 PolarHBondContact O-N 3.26Å; S2152-T2155 PolarHBondContact O-OG1 3.05Å; S2152-N2156 VanDerWaalsContact O-CB 3.31Å; S2152-N2156 WeakPolarHBondContact O-CB 3.37Å; S2152-N2156 PolarHBondContact O-N 3.11Å; S2152-N2156 PolarHBondContact O-ND2 3.14Å; S2152-N2156 PolarHBondContact O-OD1 3.16Å; S2152-N2156 VanDerWaalsContact O-OD1 3.09Å |
| 2153 | D | 83.3 | Confident | 84.7 | Confident | 7.6 Ų | 7.6 | 48.3 Ų | 48.3 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.4 | -35.8 | -176.6 | -54 | -10.6 | 0 | 0 | 0 | 110.1 | L2148 R2150 L2151 N2156 L2157 I2216 Q2220 | L2148-D2153 HydrophobicContact CB-CB 4.37Å; L2148-D2153 HydrophobicContact CD1-CB 4.01Å; L2148-D2153 HydrophobicContact CG-CB 4.47Å; R2150-D2153 HydrophobicContact CB-CB 4.32Å; R2150-D2153 WeakPolarHBondContact CB-OD2 3.5Å; R2150-D2153 WeakPolarHBondContact CD-OD2 3.47Å; R2150-D2153 IonicContact CZ-OD1 3.07Å; R2150-D2153 VanDerWaalsContact CZ-OD1 3.32Å; R2150-D2153 IonicContact CZ-OD2 3.16Å; R2150-D2153 VanDerWaalsContact NE-CG 3.33Å; R2150-D2153 IonicContact NE-OD1 3.38Å; R2150-D2153 PolarHBondContact NE-OD1 3.26Å; R2150-D2153 IonicContact NE-OD2 3.21Å; R2150-D2153 PolarHBondContact NE-OD2 3.17Å; R2150-D2153 IonicContact NH1-OD2 3.35Å; R2150-D2153 VanDerWaalsContact NH2-CG 3.29Å; R2150-D2153 IonicContact NH2-OD1 3.59Å; R2150-D2153 PolarHBondContact NH2-OD1 2.99Å; R2150-D2153 IonicContact NH2-OD2 3.39Å; R2150-D2153 PolarHBondContact NH2-OD2 2.99Å; R2150-D2153 VanDerWaalsContact NH2-OD2 3.15Å; R2150-D2153 PolarHBondContact O-N 3.12Å; R2150-D2153 VanDerWaalsContact O-N 3.17Å; L2151-D2153 VanDerWaalsContact C-N 3.31Å; L2151-D2153 PolarHBondContact O-N 3.13Å; D2153-N2156 PolarHBondContact O-N 3.14Å; D2153-L2157 VanDerWaalsContact O-CB 3.25Å; D2153-L2157 WeakPolarHBondContact O-CB 3.4Å; D2153-L2157 PolarHBondContact O-N 3.23Å; D2153-I2216 HydrophobicContact CB-CD1 4.41Å; D2153-I2216 HydrophobicContact CB-CG1 4.25Å; D2153-Q2220 PolarHBondContact OD2-NE2 3.36Å |
| 2154 | Q | 85 | Confident | 85.2 | Confident | 10.4 Ų | 10.4 | 42 Ų | 42 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 171.8 | -65.4 | -179.9 | 2.6 | 0 | 0 | 111.7 | V2071 N2075 C2145 L2148 R2150 L2151 S2152 N2158 | V2071-Q2154 VanDerWaalsContact CG1-OE1 3.22Å; N2075-Q2154 PolarHBondContact ND2-NE2 3.36Å; N2075-Q2154 PolarHBondContact ND2-OE1 3.43Å; C2145-Q2154 VanDerWaalsContact O-CD 3.24Å; C2145-Q2154 VanDerWaalsContact O-CG 3.28Å; C2145-Q2154 WeakPolarHBondContact O-CG 3.35Å; C2145-Q2154 PolarHBondContact O-NE2 3.12Å; C2145-Q2154 VanDerWaalsContact O-NE2 3.16Å; L2148-Q2154 HydrophobicContact CB-CG 3.75Å; L2148-Q2154 HydrophobicContact CD1-CG 4.22Å; L2148-Q2154 HydrophobicContact CG-CG 4.42Å; L2148-Q2154 PolarHBondContact O-NE2 3.41Å; R2150-Q2154 WeakPolarHBondContact O-CG 3.28Å; R2150-Q2154 PolarHBondContact O-N 3.13Å; R2150-Q2154 VanDerWaalsContact O-N 3.12Å; L2151-Q2154 HydrophobicContact CD1-CB 4.47Å; L2151-Q2154 WeakPolarHBondContact O-CB 3.35Å; L2151-Q2154 PolarHBondContact O-N 3.24Å; S2152-Q2154 VanDerWaalsContact C-N 3.34Å; Q2154-N2158 VanDerWaalsContact O-CB 3.26Å; Q2154-N2158 WeakPolarHBondContact O-CB 3.35Å; Q2154-N2158 VanDerWaalsContact O-CG 3.29Å; Q2154-N2158 PolarHBondContact O-N 3.08Å; Q2154-N2158 VanDerWaalsContact O-N 3.13Å; Q2154-N2158 PolarHBondContact O-ND2 3.34Å; Q2154-N2158 VanDerWaalsContact O-ND2 3.11Å |
| 2155 | T | 85.3 | Confident | 85.6 | Confident | 66.8 Ų | 66.8 | 42 Ų | 42 | 41% | 0.41 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.6 | -40.8 | 179.1 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | L2151 S2152 N2158 S2159 | L2151-T2155 HydrophobicContact CG-CG2 4.47Å; L2151-T2155 WeakPolarHBondContact O-CG2 3.41Å; L2151-T2155 PolarHBondContact O-N 3.17Å; L2151-T2155 PolarHBondContact O-OG1 2.99Å; L2151-T2155 VanDerWaalsContact O-OG1 3.12Å; S2152-T2155 WeakPolarHBondContact CA-OG1 3.45Å; S2152-T2155 PolarHBondContact O-N 3.26Å; S2152-T2155 PolarHBondContact O-OG1 3.05Å; T2155-N2158 PolarHBondContact O-N 3.17Å; T2155-S2159 VanDerWaalsContact O-CB 3.32Å; T2155-S2159 WeakPolarHBondContact O-CB 3.36Å; T2155-S2159 PolarHBondContact O-N 3.03Å; T2155-S2159 PolarHBondContact O-OG 3.18Å |
| 2156 | N | 88.9 | Confident | 86.1 | Confident | 68.4 Ų | 68.4 | 44.9 Ų | 44.9 | 37% | 0.366 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.6 | -43.5 | -179.2 | -68.8 | -5 | 0 | 0 | 0 | 111.9 | S2152 D2153 N2158 S2159 L2160 Q2212 | S2152-N2156 VanDerWaalsContact O-CB 3.31Å; S2152-N2156 WeakPolarHBondContact O-CB 3.37Å; S2152-N2156 PolarHBondContact O-N 3.11Å; S2152-N2156 PolarHBondContact O-ND2 3.14Å; S2152-N2156 PolarHBondContact O-OD1 3.16Å; S2152-N2156 VanDerWaalsContact O-OD1 3.09Å; D2153-N2156 PolarHBondContact O-N 3.14Å; N2156-N2158 VanDerWaalsContact C-N 3.3Å; N2156-N2158 PolarHBondContact O-N 2.99Å; N2156-S2159 WeakPolarHBondContact CA-OG 3.28Å; N2156-S2159 PolarHBondContact O-N 3.23Å; N2156-S2159 PolarHBondContact O-OG 3.02Å; N2156-S2159 VanDerWaalsContact O-OG 3.07Å; N2156-L2160 WeakPolarHBondContact O-CB 3.41Å; N2156-L2160 WeakPolarHBondContact O-CG 3.4Å; N2156-L2160 PolarHBondContact O-N 2.96Å; N2156-Q2212 HydrophobicContact CB-CG 4.39Å |
| 2157 | L | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 176.4 | -179.3 | 59.6 | 0 | 0 | 0 | 111.1 | T2144 C2145 L2148 D2153 L2160 T2161 L2209 I2213 I2216 | T2144-L2157 HydrophobicContact CG2-CD2 3.5Å; T2144-L2157 VanDerWaalsContact CG2-CD2 3.48Å; C2145-L2157 VanDerWaalsContact SG-CD2 3.57Å; L2148-L2157 HydrophobicContact CD1-CB 4.4Å; L2148-L2157 HydrophobicContact CD1-CD2 3.89Å; D2153-L2157 VanDerWaalsContact O-CB 3.25Å; D2153-L2157 WeakPolarHBondContact O-CB 3.4Å; D2153-L2157 PolarHBondContact O-N 3.23Å; L2157-L2160 PolarHBondContact O-N 2.93Å; L2157-T2161 VanDerWaalsContact O-CB 3.3Å; L2157-T2161 WeakPolarHBondContact O-CB 3.36Å; L2157-T2161 PolarHBondContact O-N 3.33Å; L2157-T2161 PolarHBondContact O-OG1 3.27Å; L2157-L2209 HydrophobicContact CD1-CD1 3.57Å; L2157-L2209 VanDerWaalsContact CD1-CD1 3.49Å; L2157-I2213 HydrophobicContact CD1-CG1 4.41Å; L2157-I2216 HydrophobicContact CB-CD1 4.18Å; L2157-I2216 HydrophobicContact CD1-CD1 4.29Å; L2157-I2216 HydrophobicContact CD2-CD1 4.28Å; L2157-I2216 HydrophobicContact CG-CD1 4.41Å |
| 2158 | N | 89 | Confident | 87.5 | Confident | 5.6 Ų | 5.6 | 41 Ų | 41 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | 177.4 | -110.5 | -40.8 | 0 | 0 | 0 | 112.6 | L2064 I2068 C2145 Q2154 T2155 N2156 L2160 T2161 R2162 | L2064-N2158 HydrophobicContact CD1-CB 4.41Å; L2064-N2158 WeakPolarHBondContact CD1-OD1 3.31Å; L2064-N2158 WeakPolarHBondContact CD2-OD1 3.42Å; L2064-N2158 WeakPolarHBondContact CG-OD1 3.33Å; I2068-N2158 HydrophobicContact CD1-CB 4.14Å; I2068-N2158 HydrophobicContact CG1-CB 4.04Å; I2068-N2158 WeakPolarHBondContact CG1-ND2 3.4Å; C2145-N2158 PolarHBondContact SG-ND2 3.18Å; C2145-N2158 VanDerWaalsContact SG-ND2 3.42Å; C2145-N2158 PolarHBondContact SG-OD1 3.16Å; Q2154-N2158 VanDerWaalsContact O-CB 3.26Å; Q2154-N2158 WeakPolarHBondContact O-CB 3.35Å; Q2154-N2158 VanDerWaalsContact O-CG 3.29Å; Q2154-N2158 PolarHBondContact O-N 3.08Å; Q2154-N2158 VanDerWaalsContact O-N 3.13Å; Q2154-N2158 PolarHBondContact O-ND2 3.34Å; Q2154-N2158 VanDerWaalsContact O-ND2 3.11Å; T2155-N2158 PolarHBondContact O-N 3.17Å; N2156-N2158 VanDerWaalsContact C-N 3.3Å; N2156-N2158 PolarHBondContact O-N 2.99Å; N2158-L2160 VanDerWaalsContact C-N 3.34Å; N2158-L2160 PolarHBondContact O-N 3.27Å; N2158-T2161 WeakPolarHBondContact O-CB 3.42Å; N2158-T2161 PolarHBondContact O-N 3.13Å; N2158-R2162 WeakPolarHBondContact O-CB 3.35Å; N2158-R2162 PolarHBondContact O-N 3.24Å |
| 2159 | S | 90.7 | Very high | 88.2 | Confident | 55.6 Ų | 55.6 | 42.6 Ų | 42.6 | 39% | 0.389 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 179 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | T2155 N2156 T2161 R2162 T2163 | T2155-S2159 VanDerWaalsContact O-CB 3.32Å; T2155-S2159 WeakPolarHBondContact O-CB 3.36Å; T2155-S2159 PolarHBondContact O-N 3.03Å; T2155-S2159 PolarHBondContact O-OG 3.18Å; N2156-S2159 WeakPolarHBondContact CA-OG 3.28Å; N2156-S2159 PolarHBondContact O-N 3.23Å; N2156-S2159 PolarHBondContact O-OG 3.02Å; N2156-S2159 VanDerWaalsContact O-OG 3.07Å; S2159-T2161 VanDerWaalsContact C-N 3.34Å; S2159-T2161 PolarHBondContact O-N 3.09Å; S2159-R2162 CarbonylContact O-C 3.54Å; S2159-R2162 WeakPolarHBondContact O-CA 3.46Å; S2159-R2162 VanDerWaalsContact O-CB 3.27Å; S2159-R2162 WeakPolarHBondContact O-CB 3.32Å; S2159-R2162 PolarHBondContact O-N 3.18Å; S2159-R2162 VanDerWaalsContact O-N 3.11Å; S2159-T2163 PolarHBondContact O-N 3.2Å; S2159-T2163 PolarHBondContact O-OG1 3.21Å; S2159-T2163 VanDerWaalsContact O-OG1 3.08Å |
| 2160 | L | 92.3 | Very high | 89 | Confident | 26.6 Ų | 26.6 | 39.6 Ų | 39.6 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.9 | -38 | 176.5 | -69.3 | 170.9 | 0 | 0 | 0 | 112.1 | N2156 L2157 N2158 R2162 T2163 V2164 E2208 L2209 Q2212 | N2156-L2160 WeakPolarHBondContact O-CB 3.41Å; N2156-L2160 WeakPolarHBondContact O-CG 3.4Å; N2156-L2160 PolarHBondContact O-N 2.96Å; L2157-L2160 PolarHBondContact O-N 2.93Å; N2158-L2160 VanDerWaalsContact C-N 3.34Å; N2158-L2160 PolarHBondContact O-N 3.27Å; L2160-R2162 VanDerWaalsContact C-N 3.27Å; L2160-R2162 PolarHBondContact O-N 3.32Å; L2160-T2163 WeakPolarHBondContact O-CB 3.24Å; L2160-T2163 PolarHBondContact O-N 3.24Å; L2160-T2163 VanDerWaalsContact O-N 3.12Å; L2160-V2164 WeakPolarHBondContact O-CG2 3.35Å; L2160-V2164 PolarHBondContact O-N 3.17Å; L2160-E2208 HydrophobicContact CD2-CB 3.92Å; L2160-L2209 HydrophobicContact CB-CB 4.28Å; L2160-L2209 HydrophobicContact CB-CD1 3.91Å; L2160-Q2212 HydrophobicContact CD1-CB 3.54Å; L2160-Q2212 VanDerWaalsContact CD1-CB 3.49Å; L2160-Q2212 HydrophobicContact CD1-CG 3.95Å |
| 2161 | T | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -40.7 | 170.9 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | L2064 F2137 V2138 S2141 L2157 N2158 S2159 V2164 L2165 | L2064-T2161 HydrophobicContact CD1-CG2 4.36Å; L2064-T2161 HydrophobicContact CD2-CG2 4.14Å; F2137-T2161 HydrophobicContact CD1-CG2 4.46Å; F2137-T2161 HydrophobicContact CE1-CG2 3.78Å; F2137-T2161 HydrophobicContact CZ-CG2 4.12Å; V2138-T2161 HydrophobicContact CG2-CG2 4.44Å; S2141-T2161 VanDerWaalsContact CB-OG1 3.3Å; S2141-T2161 WeakPolarHBondContact CB-OG1 3.3Å; S2141-T2161 WeakPolarHBondContact OG-CG2 3.39Å; S2141-T2161 PolarHBondContact OG-OG1 3.18Å; L2157-T2161 VanDerWaalsContact O-CB 3.3Å; L2157-T2161 WeakPolarHBondContact O-CB 3.36Å; L2157-T2161 PolarHBondContact O-N 3.33Å; L2157-T2161 PolarHBondContact O-OG1 3.27Å; N2158-T2161 WeakPolarHBondContact O-CB 3.42Å; N2158-T2161 PolarHBondContact O-N 3.13Å; S2159-T2161 VanDerWaalsContact C-N 3.34Å; S2159-T2161 PolarHBondContact O-N 3.09Å; T2161-V2164 PolarHBondContact O-N 3.18Å; T2161-L2165 WeakPolarHBondContact O-CG 3.36Å; T2161-L2165 PolarHBondContact O-N 3.14Å; T2161-L2165 VanDerWaalsContact O-N 3.16Å |
| 2162 | R | 93.3 | Very high | 90.2 | Very high | 82.8 Ų | 82.8 | 30.6 Ų | 30.6 | 31% | 0.312 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 174.6 | -175.3 | -178.6 | 168.5 | 113.3 | 8.5 | 111.7 | L2061 L2064 N2065 N2158 S2159 L2160 V2164 L2165 E2166 | L2061-R2162 HydrophobicContact CD1-CG 3.86Å; L2061-R2162 HydrophobicContact CD2-CG 3.86Å; L2064-R2162 HydrophobicContact CD2-CB 3.73Å; L2064-R2162 HydrophobicContact CD2-CG 4.36Å; N2065-R2162 PolarHBondContact ND2-NH1 3.28Å; N2065-R2162 PolarHBondContact OD1-NH1 3Å; N2158-R2162 WeakPolarHBondContact O-CB 3.35Å; N2158-R2162 PolarHBondContact O-N 3.24Å; S2159-R2162 CarbonylContact O-C 3.54Å; S2159-R2162 WeakPolarHBondContact O-CA 3.46Å; S2159-R2162 VanDerWaalsContact O-CB 3.27Å; S2159-R2162 WeakPolarHBondContact O-CB 3.32Å; S2159-R2162 PolarHBondContact O-N 3.18Å; S2159-R2162 VanDerWaalsContact O-N 3.11Å; L2160-R2162 VanDerWaalsContact C-N 3.27Å; L2160-R2162 PolarHBondContact O-N 3.32Å; R2162-V2164 VanDerWaalsContact C-N 3.29Å; R2162-V2164 PolarHBondContact O-N 3.25Å; R2162-L2165 WeakPolarHBondContact O-CA 3.34Å; R2162-L2165 WeakPolarHBondContact O-CB 3.39Å; R2162-L2165 PolarHBondContact O-N 3.35Å; R2162-L2165 VanDerWaalsContact O-N 3.12Å; R2162-E2166 HydrophobicContact CG-CG 4.35Å; R2162-E2166 IonicContact CZ-OE1 3.52Å; R2162-E2166 VanDerWaalsContact CZ-OE1 3.31Å; R2162-E2166 VanDerWaalsContact NE-CD 3.34Å; R2162-E2166 IonicContact NE-OE1 3.12Å; R2162-E2166 PolarHBondContact NE-OE1 3.11Å; R2162-E2166 IonicContact NE-OE2 2.69Å; R2162-E2166 PolarHBondContact NE-OE2 3.17Å; R2162-E2166 IonicContact NH2-OE1 3.24Å; R2162-E2166 PolarHBondContact NH2-OE1 3.18Å; R2162-E2166 WeakPolarHBondContact O-CG 3.48Å; R2162-E2166 PolarHBondContact O-N 3.26Å |
| 2163 | T | 92.6 | Very high | 90.4 | Very high | 55.8 Ų | 55.8 | 30 Ų | 30 | 34% | 0.342 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.1 | -41.1 | 177.8 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | S2159 L2160 L2165 E2166 A2167 A2205 | S2159-T2163 PolarHBondContact O-N 3.2Å; S2159-T2163 PolarHBondContact O-OG1 3.21Å; S2159-T2163 VanDerWaalsContact O-OG1 3.08Å; L2160-T2163 WeakPolarHBondContact O-CB 3.24Å; L2160-T2163 PolarHBondContact O-N 3.24Å; L2160-T2163 VanDerWaalsContact O-N 3.12Å; T2163-L2165 VanDerWaalsContact C-N 3.35Å; T2163-L2165 PolarHBondContact O-N 3.12Å; T2163-E2166 PolarHBondContact O-N 3.19Å; T2163-A2167 VanDerWaalsContact O-CB 3.27Å; T2163-A2167 WeakPolarHBondContact O-CB 3.3Å; T2163-A2167 PolarHBondContact O-N 3.17Å; T2163-A2205 HydrophobicContact CG2-CB 3.97Å |
| 2164 | V | 93.2 | Very high | 90.5 | Very high | 1.2 Ų | 1.2 | 30.2 Ų | 30.2 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | F2137 L2160 T2161 R2162 A2167 M2168 L2202 A2205 L2209 | F2137-V2164 HydrophobicContact CE1-CB 4.29Å; F2137-V2164 HydrophobicContact CE1-CG1 3.94Å; F2137-V2164 HydrophobicContact CZ-CB 4.22Å; F2137-V2164 HydrophobicContact CZ-CG1 3.96Å; F2137-V2164 HydrophobicContact CZ-CG2 4.49Å; L2160-V2164 WeakPolarHBondContact O-CG2 3.35Å; L2160-V2164 PolarHBondContact O-N 3.17Å; T2161-V2164 PolarHBondContact O-N 3.18Å; R2162-V2164 VanDerWaalsContact C-N 3.29Å; R2162-V2164 PolarHBondContact O-N 3.25Å; V2164-A2167 PolarHBondContact O-N 3.02Å; V2164-M2168 VanDerWaalsContact O-CB 3.28Å; V2164-M2168 WeakPolarHBondContact O-CB 3.29Å; V2164-M2168 PolarHBondContact O-N 3.21Å; V2164-L2202 HydrophobicContact CG1-CD1 4.06Å; V2164-A2205 HydrophobicContact CG2-CB 3.85Å; V2164-L2209 HydrophobicContact CG2-CB 4.42Å; V2164-L2209 HydrophobicContact CG2-CD2 4.05Å |
| 2165 | L | 93 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.2 | -69.5 | 175.2 | 0 | 0 | 0 | 112.6 | I2057 L2060 L2061 L2064 L2134 V2138 T2161 R2162 T2163 M2168 Q2169 | I2057-L2165 HydrophobicContact CG2-CB 4.38Å; L2060-L2165 HydrophobicContact CB-CD1 4.4Å; L2061-L2165 HydrophobicContact CD2-CB 3.81Å; L2061-L2165 HydrophobicContact CD2-CD1 3.87Å; L2061-L2165 HydrophobicContact CD2-CG 4.48Å; L2061-L2165 HydrophobicContact CG-CB 4.29Å; L2061-L2165 HydrophobicContact CG-CD1 4.22Å; L2064-L2165 HydrophobicContact CD2-CD1 4.14Å; L2134-L2165 HydrophobicContact CD2-CD2 3.8Å; V2138-L2165 HydrophobicContact CG2-CD1 3.75Å; V2138-L2165 HydrophobicContact CG2-CD2 3.82Å; V2138-L2165 HydrophobicContact CG2-CG 4.18Å; T2161-L2165 WeakPolarHBondContact O-CG 3.36Å; T2161-L2165 PolarHBondContact O-N 3.14Å; T2161-L2165 VanDerWaalsContact O-N 3.16Å; R2162-L2165 WeakPolarHBondContact O-CA 3.34Å; R2162-L2165 WeakPolarHBondContact O-CB 3.39Å; R2162-L2165 PolarHBondContact O-N 3.35Å; R2162-L2165 VanDerWaalsContact O-N 3.12Å; T2163-L2165 VanDerWaalsContact C-N 3.35Å; T2163-L2165 PolarHBondContact O-N 3.12Å; L2165-M2168 PolarHBondContact O-N 3.15Å; L2165-Q2169 WeakPolarHBondContact O-CB 3.45Å; L2165-Q2169 PolarHBondContact O-N 3.24Å |
| 2166 | E | 92.6 | Very high | 90.6 | Very high | 63.6 Ų | 63.6 | 27 Ų | 27 | 30% | 0.297 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -68.9 | -42.6 | 178.6 | -71.8 | 175.7 | 164.2 | 0 | 0 | 111.6 | L2061 R2162 T2163 M2168 Q2169 Q2170 | L2061-E2166 HydrophobicContact CD1-CG 4.18Å; L2061-E2166 HydrophobicContact CD2-CG 4.32Å; R2162-E2166 HydrophobicContact CG-CG 4.35Å; R2162-E2166 IonicContact CZ-OE1 3.52Å; R2162-E2166 VanDerWaalsContact CZ-OE1 3.31Å; R2162-E2166 VanDerWaalsContact NE-CD 3.34Å; R2162-E2166 IonicContact NE-OE1 3.12Å; R2162-E2166 PolarHBondContact NE-OE1 3.11Å; R2162-E2166 IonicContact NE-OE2 2.69Å; R2162-E2166 PolarHBondContact NE-OE2 3.17Å; R2162-E2166 IonicContact NH2-OE1 3.24Å; R2162-E2166 PolarHBondContact NH2-OE1 3.18Å; R2162-E2166 WeakPolarHBondContact O-CG 3.48Å; R2162-E2166 PolarHBondContact O-N 3.26Å; T2163-E2166 PolarHBondContact O-N 3.19Å; E2166-M2168 VanDerWaalsContact C-N 3.34Å; E2166-M2168 PolarHBondContact O-N 3.46Å; E2166-Q2169 WeakPolarHBondContact O-CB 3.36Å; E2166-Q2169 PolarHBondContact O-N 3.19Å; E2166-Q2169 VanDerWaalsContact O-N 3.16Å; E2166-Q2170 WeakPolarHBondContact O-CG 3.37Å; E2166-Q2170 PolarHBondContact O-N 3.2Å |
| 2167 | A | 92.1 | Very high | 90.3 | Very high | 8.4 Ų | 8.4 | 29.1 Ų | 29.1 | 7% | 0.069 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T2163 V2164 Q2169 Q2170 L2171 L2202 | T2163-A2167 VanDerWaalsContact O-CB 3.27Å; T2163-A2167 WeakPolarHBondContact O-CB 3.3Å; T2163-A2167 PolarHBondContact O-N 3.17Å; V2164-A2167 PolarHBondContact O-N 3.02Å; A2167-Q2169 VanDerWaalsContact C-N 3.34Å; A2167-Q2169 PolarHBondContact O-N 3.28Å; A2167-Q2170 PolarHBondContact O-N 3.15Å; A2167-L2171 WeakPolarHBondContact O-CB 3.29Å; A2167-L2171 PolarHBondContact O-N 3.04Å; A2167-L2202 HydrophobicContact CB-CB 4.14Å; A2167-L2202 HydrophobicContact CB-CD1 4.16Å |
| 2168 | M | 92.7 | Very high | 89.8 | Confident | 0.4 Ų | 0.4 | 29.6 Ų | 29.6 | 0% | 0.002 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 173.4 | -178.2 | 59.6 | 72 | 0 | 0 | 111.7 | I2057 I2104 I2130 L2134 V2164 L2165 E2166 Q2170 L2171 I2172 L2202 | I2057-M2168 HydrophobicContact CD1-CB 4.33Å; I2057-M2168 HydrophobicContact CD1-CG 3.8Å; I2104-M2168 HydrophobicContact CG2-CE 3.21Å; I2130-M2168 HydrophobicContact CD1-CE 4.44Å; I2130-M2168 HydrophobicContact CG2-CE 3.88Å; I2130-M2168 HydrophobicContact CG2-SD 3.98Å; L2134-M2168 HydrophobicContact CD1-CG 4.31Å; L2134-M2168 HydrophobicContact CD2-CG 4.41Å; V2164-M2168 VanDerWaalsContact O-CB 3.28Å; V2164-M2168 WeakPolarHBondContact O-CB 3.29Å; V2164-M2168 PolarHBondContact O-N 3.21Å; L2165-M2168 PolarHBondContact O-N 3.15Å; E2166-M2168 VanDerWaalsContact C-N 3.34Å; E2166-M2168 PolarHBondContact O-N 3.46Å; M2168-Q2170 VanDerWaalsContact C-N 3.34Å; M2168-Q2170 PolarHBondContact O-N 3.35Å; M2168-L2171 PolarHBondContact O-N 3.03Å; M2168-L2171 HydrophobicContact SD-CD2 4.46Å; M2168-I2172 HydrophobicContact CG-CD1 3.8Å; M2168-I2172 HydrophobicContact CG-CG1 4.26Å; M2168-I2172 WeakPolarHBondContact O-CB 3.37Å; M2168-I2172 WeakPolarHBondContact O-CD1 3.21Å; M2168-I2172 VanDerWaalsContact O-CG1 3.28Å; M2168-I2172 WeakPolarHBondContact O-CG1 3.41Å; M2168-I2172 PolarHBondContact O-N 3.21Å; M2168-I2172 HydrophobicContact SD-CD1 4.14Å; M2168-I2172 HydrophobicContact SD-CG1 4.06Å; M2168-L2202 HydrophobicContact CB-CD1 4.32Å; M2168-L2202 HydrophobicContact CE-CD1 4.24Å; M2168-L2202 HydrophobicContact CE-CD2 3.56Å; M2168-L2202 VanDerWaalsContact CE-CD2 3.47Å; M2168-L2202 HydrophobicContact CE-CG 4.5Å; M2168-L2202 HydrophobicContact SD-CD2 4.34Å |
| 2169 | Q | 92.7 | Very high | 89.3 | Confident | 39.6 Ų | 39.6 | 29.6 Ų | 29.6 | 19% | 0.185 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 176.6 | -174.6 | 171.8 | -6.5 | 0 | 0 | 111.5 | I2057 N2058 L2165 E2166 A2167 L2171 I2172 D2173 | I2057-Q2169 HydrophobicContact CD1-CB 4.38Å; I2057-Q2169 HydrophobicContact CG2-CB 4.14Å; N2058-Q2169 PolarHBondContact OD1-NE2 3.15Å; L2165-Q2169 WeakPolarHBondContact O-CB 3.45Å; L2165-Q2169 PolarHBondContact O-N 3.24Å; E2166-Q2169 WeakPolarHBondContact O-CB 3.36Å; E2166-Q2169 PolarHBondContact O-N 3.19Å; E2166-Q2169 VanDerWaalsContact O-N 3.16Å; A2167-Q2169 VanDerWaalsContact C-N 3.34Å; A2167-Q2169 PolarHBondContact O-N 3.28Å; Q2169-L2171 VanDerWaalsContact C-N 3.33Å; Q2169-L2171 PolarHBondContact O-N 3.24Å; Q2169-I2172 PolarHBondContact O-N 3.34Å; Q2169-D2173 WeakPolarHBondContact O-CB 3.33Å; Q2169-D2173 VanDerWaalsContact O-CG 3.29Å; Q2169-D2173 PolarHBondContact O-N 3.09Å |
| 2170 | Q | 90.5 | Very high | 88.7 | Confident | 82.6 Ų | 82.6 | 32.3 Ų | 32.3 | 39% | 0.386 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 178 | -68.1 | 175.7 | 13 | 0 | 0 | 112.2 | E2166 A2167 M2168 D2173 C2174 Y2198 | E2166-Q2170 WeakPolarHBondContact O-CG 3.37Å; E2166-Q2170 PolarHBondContact O-N 3.2Å; A2167-Q2170 PolarHBondContact O-N 3.15Å; M2168-Q2170 VanDerWaalsContact C-N 3.34Å; M2168-Q2170 PolarHBondContact O-N 3.35Å; Q2170-D2173 PolarHBondContact O-N 3.3Å; Q2170-C2174 VanDerWaalsContact O-CB 3.28Å; Q2170-C2174 WeakPolarHBondContact O-CB 3.29Å; Q2170-C2174 PolarHBondContact O-N 3.15Å; Q2170-Y2198 HydrophobicContact CB-CD1 3.7Å; Q2170-Y2198 HydrophobicContact CB-CE1 3.85Å; Q2170-Y2198 HydrophobicContact CB-CG 4.34Å; Q2170-Y2198 HydrophobicContact CG-CE1 4.4Å; Q2170-Y2198 VanDerWaalsContact OE1-CE1 3.29Å |
| 2171 | L | 90.4 | Very high | 87.3 | Confident | 4.4 Ų | 4.4 | 32.4 Ų | 32.4 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 174.9 | -178.8 | 77.4 | 0 | 0 | 0 | 111.4 | I2112 A2167 M2168 Q2169 C2174 V2175 L2195 N2199 L2202 | I2112-L2171 HydrophobicContact CD1-CD1 4.06Å; I2112-L2171 HydrophobicContact CG1-CD1 4.32Å; A2167-L2171 WeakPolarHBondContact O-CB 3.29Å; A2167-L2171 PolarHBondContact O-N 3.04Å; M2168-L2171 PolarHBondContact O-N 3.03Å; M2168-L2171 HydrophobicContact SD-CD2 4.46Å; Q2169-L2171 VanDerWaalsContact C-N 3.33Å; Q2169-L2171 PolarHBondContact O-N 3.24Å; L2171-C2174 WeakPolarHBondContact O-CB 3.35Å; L2171-C2174 PolarHBondContact O-N 3.23Å; L2171-V2175 HydrophobicContact CD2-CG2 4.22Å; L2171-V2175 VanDerWaalsContact O-CG2 3.29Å; L2171-V2175 WeakPolarHBondContact O-CG2 3.41Å; L2171-V2175 PolarHBondContact O-N 3.01Å; L2171-L2195 HydrophobicContact CD1-CD2 4.04Å; L2171-L2195 HydrophobicContact CD1-CG 4.38Å; L2171-N2199 HydrophobicContact CD1-CB 4.41Å; L2171-L2202 HydrophobicContact CD2-CD2 3.91Å |
| 2172 | I | 90.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -39.3 | 179.9 | -65.9 | -110.4 | 0 | 0 | 0 | 111.7 | C2050 I2053 I2057 L2127 M2168 Q2169 C2174 V2175 S2176 | C2050-I2172 HydrophobicContact CB-CG2 3.98Å; I2053-I2172 HydrophobicContact CB-CD1 4.06Å; I2053-I2172 HydrophobicContact CB-CG2 4.36Å; I2053-I2172 HydrophobicContact CD1-CD1 4.09Å; I2053-I2172 HydrophobicContact CG2-CB 4.5Å; I2053-I2172 HydrophobicContact CG2-CD1 3.81Å; I2053-I2172 HydrophobicContact CG2-CG1 3.89Å; I2053-I2172 HydrophobicContact CG2-CG2 4.2Å; I2057-I2172 HydrophobicContact CD1-CD1 3.62Å; L2127-I2172 HydrophobicContact CD2-CD1 3.34Å; L2127-I2172 HydrophobicContact CD2-CG1 4.4Å; M2168-I2172 HydrophobicContact CG-CD1 3.8Å; M2168-I2172 HydrophobicContact CG-CG1 4.26Å; M2168-I2172 WeakPolarHBondContact O-CB 3.37Å; M2168-I2172 WeakPolarHBondContact O-CD1 3.21Å; M2168-I2172 VanDerWaalsContact O-CG1 3.28Å; M2168-I2172 WeakPolarHBondContact O-CG1 3.41Å; M2168-I2172 PolarHBondContact O-N 3.21Å; M2168-I2172 HydrophobicContact SD-CD1 4.14Å; M2168-I2172 HydrophobicContact SD-CG1 4.06Å; Q2169-I2172 PolarHBondContact O-N 3.34Å; I2172-C2174 VanDerWaalsContact C-N 3.33Å; I2172-C2174 PolarHBondContact O-N 3.13Å; I2172-V2175 PolarHBondContact O-N 3.04Å; I2172-S2176 VanDerWaalsContact O-CB 3.32Å; I2172-S2176 WeakPolarHBondContact O-CB 3.42Å; I2172-S2176 PolarHBondContact O-N 3.09Å |
| 2173 | D | 87.7 | Confident | 83.8 | Confident | 47.4 Ų | 47.4 | 35.1 Ų | 35.1 | 25% | 0.253 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 174.9 | -74.2 | -19 | 0 | 0 | 0 | 110.6 | Q2054 Q2169 Q2170 S2176 I2177 | Q2054-D2173 VanDerWaalsContact NE2-CG 3.33Å; Q2054-D2173 PolarHBondContact NE2-OD1 3.24Å; Q2054-D2173 PolarHBondContact NE2-OD2 3.46Å; Q2169-D2173 WeakPolarHBondContact O-CB 3.33Å; Q2169-D2173 VanDerWaalsContact O-CG 3.29Å; Q2169-D2173 PolarHBondContact O-N 3.09Å; Q2170-D2173 PolarHBondContact O-N 3.3Å; D2173-S2176 WeakPolarHBondContact O-CB 3.4Å; D2173-S2176 PolarHBondContact O-N 3.04Å; D2173-I2177 WeakPolarHBondContact O-CB 3.26Å; D2173-I2177 WeakPolarHBondContact O-CD1 3.39Å; D2173-I2177 VanDerWaalsContact O-CG1 3.26Å; D2173-I2177 WeakPolarHBondContact O-CG1 3.38Å; D2173-I2177 PolarHBondContact O-N 3Å |
| 2174 | C | 86.5 | Confident | 81.6 | Confident | 12.2 Ų | 12.2 | 39.6 Ų | 39.6 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 173.9 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | Q2170 L2171 I2172 S2176 I2177 T2178 L2195 Y2198 | Q2170-C2174 VanDerWaalsContact O-CB 3.28Å; Q2170-C2174 WeakPolarHBondContact O-CB 3.29Å; Q2170-C2174 PolarHBondContact O-N 3.15Å; L2171-C2174 WeakPolarHBondContact O-CB 3.35Å; L2171-C2174 PolarHBondContact O-N 3.23Å; I2172-C2174 VanDerWaalsContact C-N 3.33Å; I2172-C2174 PolarHBondContact O-N 3.13Å; C2174-S2176 VanDerWaalsContact C-N 3.33Å; C2174-S2176 PolarHBondContact O-N 3.05Å; C2174-I2177 CarbonylContact O-C 3.57Å; C2174-I2177 WeakPolarHBondContact O-CA 3.34Å; C2174-I2177 WeakPolarHBondContact O-CB 3.48Å; C2174-I2177 PolarHBondContact O-N 3.12Å; C2174-I2177 VanDerWaalsContact O-N 3.11Å; C2174-T2178 WeakPolarHBondContact O-CB 3.35Å; C2174-T2178 PolarHBondContact O-N 3.1Å; C2174-T2178 PolarHBondContact O-OG1 3.11Å; C2174-L2195 HydrophobicContact CB-CD2 4.09Å; C2174-Y2198 HydrophobicContact CB-CD2 3.7Å; C2174-Y2198 HydrophobicContact CB-CE2 3.96Å |
| 2175 | V | 85.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 173.7 | 171 | 0 | 0 | 0 | 0 | 110.7 | M2123 L2127 L2171 I2172 I2177 T2178 L2179 L2195 | M2123-V2175 HydrophobicContact SD-CG1 4.26Å; L2127-V2175 HydrophobicContact CD1-CG1 4.45Å; L2171-V2175 HydrophobicContact CD2-CG2 4.22Å; L2171-V2175 VanDerWaalsContact O-CG2 3.29Å; L2171-V2175 WeakPolarHBondContact O-CG2 3.41Å; L2171-V2175 PolarHBondContact O-N 3.01Å; I2172-V2175 PolarHBondContact O-N 3.04Å; V2175-I2177 VanDerWaalsContact C-N 3.32Å; V2175-I2177 PolarHBondContact O-N 2.99Å; V2175-T2178 WeakPolarHBondContact O-CB 3.32Å; V2175-T2178 PolarHBondContact O-N 3.2Å; V2175-T2178 VanDerWaalsContact O-N 3.12Å; V2175-L2179 HydrophobicContact CG1-CD1 3.89Å; V2175-L2179 HydrophobicContact CG1-CG 4.33Å; V2175-L2179 VanDerWaalsContact O-CG 3.3Å; V2175-L2179 WeakPolarHBondContact O-CG 3.43Å; V2175-L2179 PolarHBondContact O-N 3.12Å; V2175-L2195 HydrophobicContact CB-CD2 4.43Å; V2175-L2195 HydrophobicContact CG2-CD1 3.94Å; V2175-L2195 HydrophobicContact CG2-CD2 3.6Å; V2175-L2195 VanDerWaalsContact CG2-CD2 3.47Å; V2175-L2195 HydrophobicContact CG2-CG 4.21Å |
| 2176 | S | 86.3 | Confident | 76.7 | Confident | 9.2 Ų | 9.2 | 51.6 Ų | 51.6 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 177 | -173 | 0 | 0 | 0 | 0 | 111.9 | I2172 D2173 C2174 T2178 L2179 K2180 | I2172-S2176 VanDerWaalsContact O-CB 3.32Å; I2172-S2176 WeakPolarHBondContact O-CB 3.42Å; I2172-S2176 PolarHBondContact O-N 3.09Å; D2173-S2176 WeakPolarHBondContact O-CB 3.4Å; D2173-S2176 PolarHBondContact O-N 3.04Å; C2174-S2176 VanDerWaalsContact C-N 3.33Å; C2174-S2176 PolarHBondContact O-N 3.05Å; S2176-T2178 VanDerWaalsContact C-N 3.34Å; S2176-T2178 PolarHBondContact O-N 3.12Å; S2176-L2179 PolarHBondContact O-N 3.05Å; S2176-K2180 WeakPolarHBondContact O-CB 3.38Å; S2176-K2180 VanDerWaalsContact O-CD 3.3Å; S2176-K2180 WeakPolarHBondContact O-CD 3.49Å; S2176-K2180 VanDerWaalsContact O-CG 3.29Å; S2176-K2180 WeakPolarHBondContact O-CG 3.39Å; S2176-K2180 PolarHBondContact O-N 3.22Å; S2176-K2180 WeakPolarHBondContact OG-CE 3.3Å; S2176-K2180 PolarHBondContact OG-NZ 3.3Å |
| 2177 | I | 82.9 | Confident | 74.4 | Confident | 111.2 Ų | 111.2 | 53.2 Ų | 53.2 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 174.5 | -67.5 | 163.4 | 0 | 0 | 0 | 110.9 | D2173 C2174 V2175 L2179 K2180 G2181 | D2173-I2177 WeakPolarHBondContact O-CB 3.26Å; D2173-I2177 WeakPolarHBondContact O-CD1 3.39Å; D2173-I2177 VanDerWaalsContact O-CG1 3.26Å; D2173-I2177 WeakPolarHBondContact O-CG1 3.38Å; D2173-I2177 PolarHBondContact O-N 3Å; C2174-I2177 CarbonylContact O-C 3.57Å; C2174-I2177 WeakPolarHBondContact O-CA 3.34Å; C2174-I2177 WeakPolarHBondContact O-CB 3.48Å; C2174-I2177 PolarHBondContact O-N 3.12Å; C2174-I2177 VanDerWaalsContact O-N 3.11Å; V2175-I2177 VanDerWaalsContact C-N 3.32Å; V2175-I2177 PolarHBondContact O-N 2.99Å; I2177-L2179 VanDerWaalsContact C-N 3.33Å; I2177-L2179 PolarHBondContact O-N 3.09Å; I2177-K2180 PolarHBondContact O-N 3.26Å; I2177-G2181 WeakPolarHBondContact O-CA 3.41Å; I2177-G2181 PolarHBondContact O-N 3.15Å |
| 2178 | T | 78.5 | Confident | 72.4 | Confident | 11.6 Ų | 11.6 | 56.1 Ų | 56.1 | 7% | 0.071 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 178.4 | -53 | 0 | 0 | 0 | 0 | 111.4 | C2174 V2175 S2176 G2181 R2182 C2191 L2195 | C2174-T2178 WeakPolarHBondContact O-CB 3.35Å; C2174-T2178 PolarHBondContact O-N 3.1Å; C2174-T2178 PolarHBondContact O-OG1 3.11Å; V2175-T2178 WeakPolarHBondContact O-CB 3.32Å; V2175-T2178 PolarHBondContact O-N 3.2Å; V2175-T2178 VanDerWaalsContact O-N 3.12Å; S2176-T2178 VanDerWaalsContact C-N 3.34Å; S2176-T2178 PolarHBondContact O-N 3.12Å; T2178-G2181 PolarHBondContact O-N 3.28Å; T2178-R2182 WeakPolarHBondContact O-CB 3.43Å; T2178-R2182 PolarHBondContact O-N 3.17Å; T2178-C2191 HydrophobicContact CG2-CB 4.3Å; T2178-C2191 VanDerWaalsContact CG2-SG 3.58Å; T2178-C2191 PolarHBondContact OG1-SG 3.19Å; T2178-L2195 HydrophobicContact CG2-CD1 4.26Å; T2178-L2195 WeakPolarHBondContact OG1-CD1 3.46Å |
| 2179 | L | 79.7 | Confident | 70.6 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 177.9 | -67.4 | 171 | 0 | 0 | 0 | 112 | V2044 L2047 W2120 M2123 V2175 S2176 I2177 S2183 | V2044-L2179 HydrophobicContact CG1-CB 4.25Å; V2044-L2179 HydrophobicContact CG1-CD2 4.32Å; L2047-L2179 HydrophobicContact CD1-CB 4.41Å; W2120-L2179 HydrophobicContact CD2-CD2 3.74Å; W2120-L2179 HydrophobicContact CE3-CD2 4.03Å; W2120-L2179 HydrophobicContact CG-CD2 4.21Å; W2120-L2179 HydrophobicContact CH2-CD2 4.16Å; W2120-L2179 HydrophobicContact CZ2-CD2 3.82Å; W2120-L2179 HydrophobicContact CZ3-CD2 4.14Å; M2123-L2179 HydrophobicContact CE-CD1 3.76Å; M2123-L2179 HydrophobicContact CE-CD2 3.79Å; M2123-L2179 HydrophobicContact CE-CG 4.35Å; M2123-L2179 HydrophobicContact SD-CD1 4.43Å; M2123-L2179 HydrophobicContact SD-CD2 4.25Å; V2175-L2179 HydrophobicContact CG1-CD1 3.89Å; V2175-L2179 HydrophobicContact CG1-CG 4.33Å; V2175-L2179 VanDerWaalsContact O-CG 3.3Å; V2175-L2179 WeakPolarHBondContact O-CG 3.43Å; V2175-L2179 PolarHBondContact O-N 3.12Å; S2176-L2179 PolarHBondContact O-N 3.05Å; I2177-L2179 VanDerWaalsContact C-N 3.33Å; I2177-L2179 PolarHBondContact O-N 3.09Å; L2179-S2183 WeakPolarHBondContact O-CB 3.23Å; L2179-S2183 PolarHBondContact O-N 2.89Å |
| 2180 | K | 76.9 | Confident | 68.8 | Low | 112.6 Ų | 112.6 | 63.4 Ų | 63.4 | 49% | 0.49 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 174.8 | -69.9 | 172.5 | -172.2 | 172.4 | 0 | 112.4 | L2047 S2176 I2177 S2183 Q2184 | L2047-K2180 HydrophobicContact CD1-CG 4.21Å; L2047-K2180 HydrophobicContact CD2-CG 4.47Å; S2176-K2180 WeakPolarHBondContact O-CB 3.38Å; S2176-K2180 VanDerWaalsContact O-CD 3.3Å; S2176-K2180 WeakPolarHBondContact O-CD 3.49Å; S2176-K2180 VanDerWaalsContact O-CG 3.29Å; S2176-K2180 WeakPolarHBondContact O-CG 3.39Å; S2176-K2180 PolarHBondContact O-N 3.22Å; S2176-K2180 WeakPolarHBondContact OG-CE 3.3Å; S2176-K2180 PolarHBondContact OG-NZ 3.3Å; I2177-K2180 PolarHBondContact O-N 3.26Å; K2180-S2183 VanDerWaalsContact O-CB 3.31Å; K2180-S2183 WeakPolarHBondContact O-CB 3.31Å; K2180-S2183 PolarHBondContact O-N 3.12Å; K2180-Q2184 WeakPolarHBondContact O-CG 3.33Å; K2180-Q2184 PolarHBondContact O-N 3.36Å; K2180-Q2184 VanDerWaalsContact O-N 3.16Å |
| 2181 | G | 64.1 | Low | 67.4 | Low | 27.4 Ų | 27.4 | 61.3 Ų | 61.3 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75 | -31.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | I2177 T2178 S2183 Q2184 S2185 L2186 | I2177-G2181 WeakPolarHBondContact O-CA 3.41Å; I2177-G2181 PolarHBondContact O-N 3.15Å; T2178-G2181 PolarHBondContact O-N 3.28Å; G2181-S2183 VanDerWaalsContact C-N 3.33Å; G2181-S2183 PolarHBondContact O-N 3.03Å; G2181-S2183 VanDerWaalsContact O-N 3.12Å; G2181-Q2184 CarbonylContact O-C 3.54Å; G2181-Q2184 PolarHBondContact O-N 2.9Å; G2181-Q2184 VanDerWaalsContact O-N 3.11Å; G2181-S2185 PolarHBondContact O-N 3.4Å; G2181-S2185 VanDerWaalsContact O-N 3.17Å; G2181-L2186 PolarHBondContact O-N 3.47Å; G2181-L2186 VanDerWaalsContact O-N 3.1Å |
| 2182 | R | 58.7 | Low | 66.3 | Low | 103.2 Ų | 103.2 | 63.1 Ų | 63.1 | 39% | 0.389 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.8 | 177.9 | -149.3 | 168.9 | -169.7 | 163.6 | 0.9 | 113.2 | C2115 Q2116 W2120 T2178 Q2184 S2185 | C2115-R2182 PolarHBondContact O-NH1 3.34Å; Q2116-R2182 PolarHBondContact O-NH1 3.29Å; W2120-R2182 HydrophobicContact CH2-CB 4.3Å; W2120-R2182 HydrophobicContact CZ2-CB 4.35Å; T2178-R2182 WeakPolarHBondContact O-CB 3.43Å; T2178-R2182 PolarHBondContact O-N 3.17Å; R2182-Q2184 VanDerWaalsContact C-N 3.28Å; R2182-Q2184 PolarHBondContact O-N 3.09Å; R2182-S2185 PolarHBondContact O-N 3.28Å |
| 2183 | S | 52 | Low | 65.6 | Low | 37.4 Ų | 37.4 | 67.6 Ų | 67.6 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -16.7 | 170.2 | 172.6 | 0 | 0 | 0 | 0 | 113.8 | R2041 L2179 K2180 G2181 | R2041-S2183 WeakPolarHBondContact CD-OG 3.38Å; R2041-S2183 VanDerWaalsContact CG-OG 3.25Å; R2041-S2183 WeakPolarHBondContact CG-OG 3.37Å; R2041-S2183 PolarHBondContact NE-O 2.94Å; R2041-S2183 PolarHBondContact NE-OG 3.34Å; R2041-S2183 VanDerWaalsContact NE-OG 3.1Å; R2041-S2183 PolarHBondContact NH2-O 3.33Å; R2041-S2183 VanDerWaalsContact NH2-O 3.15Å; R2041-S2183 PolarHBondContact NH2-OG 3.26Å; L2179-S2183 WeakPolarHBondContact O-CB 3.23Å; L2179-S2183 PolarHBondContact O-N 2.89Å; K2180-S2183 VanDerWaalsContact O-CB 3.31Å; K2180-S2183 WeakPolarHBondContact O-CB 3.31Å; K2180-S2183 PolarHBondContact O-N 3.12Å; G2181-S2183 VanDerWaalsContact C-N 3.33Å; G2181-S2183 PolarHBondContact O-N 3.03Å; G2181-S2183 VanDerWaalsContact O-N 3.12Å |
| 2184 | Q | 47.4 | Very low | 65.2 | Low | 150 Ų | 150 | 67.7 Ų | 67.7 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -124.8 | 86.9 | -176.4 | -65.8 | -179.1 | 5.4 | 0 | 0 | 111 | K2180 G2181 R2182 L2186 | K2180-Q2184 WeakPolarHBondContact O-CG 3.33Å; K2180-Q2184 PolarHBondContact O-N 3.36Å; K2180-Q2184 VanDerWaalsContact O-N 3.16Å; G2181-Q2184 CarbonylContact O-C 3.54Å; G2181-Q2184 PolarHBondContact O-N 2.9Å; G2181-Q2184 VanDerWaalsContact O-N 3.11Å; R2182-Q2184 VanDerWaalsContact C-N 3.28Å; R2182-Q2184 PolarHBondContact O-N 3.09Å; Q2184-L2186 VanDerWaalsContact C-N 3.34Å; Q2184-L2186 PolarHBondContact O-N 3.09Å |
| 2185 | S | 41.2 | Very low | 65 | Low | 126.8 Ų | 126.8 | 67.1 Ų | 67.1 | 89% | 0.887 | 38% | 0.378 | S | S | * | . | trans | -2.6 | 71.3 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 114.9 | G2181 R2182 | G2181-S2185 PolarHBondContact O-N 3.4Å; G2181-S2185 VanDerWaalsContact O-N 3.17Å; R2182-S2185 PolarHBondContact O-N 3.28Å | ||
| 2186 | L | 41.7 | Very low | 65 | Low | 127 Ų | 127 | 70.3 Ų | 70.3 | 67% | 0.665 | 39% | 0.394 | S | S | * | . | trans | -115.3 | 139.1 | 171.9 | -143.9 | 78.3 | 0 | 0 | 0 | 109.4 | G2181 Q2184 V2188 | G2181-L2186 PolarHBondContact O-N 3.47Å; G2181-L2186 VanDerWaalsContact O-N 3.1Å; Q2184-L2186 VanDerWaalsContact C-N 3.34Å; Q2184-L2186 PolarHBondContact O-N 3.09Å; L2186-V2188 WeakPolarHBondContact O-CG2 3.35Å; L2186-V2188 PolarHBondContact O-N 3.38Å; L2186-V2188 VanDerWaalsContact O-N 3.14Å | ||
| 2187 | P | 44.5 | Very low | 65 | Low | 97 Ų | 97 | 74.1 Ų | 74.1 | 63% | 0.63 | 41% | 0.414 | S | S | * | . | trans | -58.4 | 120.5 | -179 | 2.7 | -6.1 | 0 | 0 | 0 | 112 | S2189 N2190 | P2187-S2189 VanDerWaalsContact C-N 3.32Å; P2187-S2189 PolarHBondContact O-N 3.05Å; P2187-N2190 PolarHBondContact O-N 2.99Å | ||
| 2188 | V | 50.1 | Low | 65.2 | Low | 69 Ų | 69 | 72.5 Ų | 72.5 | 42% | 0.418 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.6 | -166.4 | 179.8 | 0 | 0 | 0 | 0 | 113.8 | L2186 N2190 C2191 H2192 | L2186-V2188 WeakPolarHBondContact O-CG2 3.35Å; L2186-V2188 PolarHBondContact O-N 3.38Å; L2186-V2188 VanDerWaalsContact O-N 3.14Å; V2188-N2190 PolarHBondContact O-N 3.2Å; V2188-N2190 VanDerWaalsContact O-N 3.1Å; V2188-C2191 PolarHBondContact O-N 3.08Å; V2188-H2192 WeakPolarHBondContact CG1-CE1 3.48Å; V2188-H2192 VanDerWaalsContact CG1-NE2 3.28Å; V2188-H2192 WeakPolarHBondContact CG1-NE2 3.3Å; V2188-H2192 PolarHBondContact O-CD2 3.38Å; V2188-H2192 VanDerWaalsContact O-CD2 3.23Å; V2188-H2192 PolarHBondContact O-N 2.83Å; V2188-H2192 PolarHBondContact O-ND1 3.05Å |
| 2189 | S | 54.5 | Low | 65.7 | Low | 75.2 Ų | 75.2 | 72.4 Ų | 72.4 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | -173.9 | 39.8 | 0 | 0 | 0 | 0 | 114.6 | P2187 C2191 H2192 N2193 | P2187-S2189 VanDerWaalsContact C-N 3.32Å; P2187-S2189 PolarHBondContact O-N 3.05Å; S2189-C2191 PolarHBondContact O-N 3.36Å; S2189-H2192 PolarHBondContact O-N 2.91Å; S2189-N2193 PolarHBondContact O-N 3.37Å; S2189-N2193 PolarHBondContact O-ND2 3.35Å |
| 2190 | N | 55.9 | Low | 66.1 | Low | 117.2 Ų | 117.2 | 75.9 Ų | 75.9 | 63% | 0.627 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -75.2 | -32.8 | -172 | -72.9 | 3.9 | 0 | 0 | 0 | 112.8 | P2187 V2188 H2192 N2193 S2194 | P2187-N2190 PolarHBondContact O-N 2.99Å; V2188-N2190 PolarHBondContact O-N 3.2Å; V2188-N2190 VanDerWaalsContact O-N 3.1Å; N2190-H2192 VanDerWaalsContact C-N 3.35Å; N2190-N2193 PolarHBondContact O-N 3.49Å; N2190-S2194 PolarHBondContact O-N 3.03Å; N2190-S2194 PolarHBondContact O-OG 3.21Å |
| 2191 | C | 59.9 | Low | 66.8 | Low | 38.6 Ų | 38.6 | 75 Ų | 75 | 26% | 0.261 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72 | -33.5 | -179 | -103.9 | 0 | 0 | 0 | 0 | 112.3 | T2178 V2188 S2189 S2194 L2195 | T2178-C2191 HydrophobicContact CG2-CB 4.3Å; T2178-C2191 VanDerWaalsContact CG2-SG 3.58Å; T2178-C2191 PolarHBondContact OG1-SG 3.19Å; V2188-C2191 PolarHBondContact O-N 3.08Å; S2189-C2191 PolarHBondContact O-N 3.36Å; C2191-S2194 WeakPolarHBondContact O-CB 3.15Å; C2191-S2194 PolarHBondContact O-N 3.06Å; C2191-L2195 WeakPolarHBondContact O-CB 3.3Å; C2191-L2195 PolarHBondContact O-N 3.24Å; C2191-L2195 VanDerWaalsContact O-N 3.13Å |
| 2192 | H | 68.6 | Low | 68.1 | Low | 43 Ų | 43 | 73.7 Ų | 73.7 | 20% | 0.199 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.9 | -41 | 178.6 | -71.4 | -24.1 | 0 | 0 | 0 | 112.7 | V2188 S2189 N2190 S2194 L2195 I2196 | V2188-H2192 WeakPolarHBondContact CG1-CE1 3.48Å; V2188-H2192 VanDerWaalsContact CG1-NE2 3.28Å; V2188-H2192 WeakPolarHBondContact CG1-NE2 3.3Å; V2188-H2192 PolarHBondContact O-CD2 3.38Å; V2188-H2192 VanDerWaalsContact O-CD2 3.23Å; V2188-H2192 PolarHBondContact O-N 2.83Å; V2188-H2192 PolarHBondContact O-ND1 3.05Å; S2189-H2192 PolarHBondContact O-N 2.91Å; N2190-H2192 VanDerWaalsContact C-N 3.35Å; H2192-S2194 VanDerWaalsContact C-N 3.31Å; H2192-S2194 PolarHBondContact O-N 3.1Å; H2192-L2195 PolarHBondContact O-N 3.19Å; H2192-I2196 VanDerWaalsContact O-CG1 3.31Å; H2192-I2196 WeakPolarHBondContact O-CG1 3.34Å; H2192-I2196 PolarHBondContact O-N 3.22Å; H2192-I2196 VanDerWaalsContact O-N 3.14Å |
| 2193 | N | 73.9 | Confident | 69.6 | Low | 98.2 Ų | 98.2 | 71.2 Ų | 71.2 | 53% | 0.525 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 176.7 | -70.2 | -16.6 | 0 | 0 | 0 | 111.5 | S2189 N2190 L2195 I2196 N2197 | S2189-N2193 PolarHBondContact O-N 3.37Å; S2189-N2193 PolarHBondContact O-ND2 3.35Å; N2190-N2193 PolarHBondContact O-N 3.49Å; N2193-L2195 VanDerWaalsContact C-N 3.32Å; N2193-L2195 PolarHBondContact O-N 3.13Å; N2193-I2196 PolarHBondContact O-N 3.22Å; N2193-N2197 WeakPolarHBondContact O-CB 3.3Å; N2193-N2197 PolarHBondContact O-N 3.26Å; N2193-N2197 PolarHBondContact O-ND2 3.22Å; N2193-N2197 VanDerWaalsContact O-ND2 3.14Å; N2193-N2197 PolarHBondContact O-OD1 3.18Å |
| 2194 | S | 80.4 | Confident | 71.4 | Confident | 48.6 Ų | 48.6 | 74.1 Ų | 74.1 | 34% | 0.34 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.9 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | N2190 C2191 H2192 I2196 N2197 Y2198 | N2190-S2194 PolarHBondContact O-N 3.03Å; N2190-S2194 PolarHBondContact O-OG 3.21Å; C2191-S2194 WeakPolarHBondContact O-CB 3.15Å; C2191-S2194 PolarHBondContact O-N 3.06Å; H2192-S2194 VanDerWaalsContact C-N 3.31Å; H2192-S2194 PolarHBondContact O-N 3.1Å; S2194-I2196 VanDerWaalsContact C-N 3.34Å; S2194-I2196 PolarHBondContact O-N 3.16Å; S2194-N2197 WeakPolarHBondContact O-CB 3.4Å; S2194-N2197 PolarHBondContact O-N 3.08Å; S2194-Y2198 WeakPolarHBondContact O-CD2 3.36Å; S2194-Y2198 PolarHBondContact O-N 3.13Å |
| 2195 | L | 82.7 | Confident | 73.5 | Confident | 0.2 Ų | 0.2 | 67.2 Ų | 67.2 | 0% | 0.001 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 178.4 | -105.7 | 162.2 | 0 | 0 | 0 | 112.2 | I2112 L2171 C2174 V2175 T2178 C2191 H2192 N2193 N2197 Y2198 N2199 | I2112-L2195 HydrophobicContact CB-CD2 3.94Å; I2112-L2195 HydrophobicContact CD1-CD2 3.99Å; I2112-L2195 HydrophobicContact CG1-CD2 3.48Å; I2112-L2195 VanDerWaalsContact CG1-CD2 3.45Å; I2112-L2195 HydrophobicContact CG1-CG 4.24Å; I2112-L2195 HydrophobicContact CG2-CB 4.42Å; I2112-L2195 HydrophobicContact CG2-CD2 3.64Å; L2171-L2195 HydrophobicContact CD1-CD2 4.04Å; L2171-L2195 HydrophobicContact CD1-CG 4.38Å; C2174-L2195 HydrophobicContact CB-CD2 4.09Å; V2175-L2195 HydrophobicContact CB-CD2 4.43Å; V2175-L2195 HydrophobicContact CG2-CD1 3.94Å; V2175-L2195 HydrophobicContact CG2-CD2 3.6Å; V2175-L2195 VanDerWaalsContact CG2-CD2 3.47Å; V2175-L2195 HydrophobicContact CG2-CG 4.21Å; T2178-L2195 HydrophobicContact CG2-CD1 4.26Å; T2178-L2195 WeakPolarHBondContact OG1-CD1 3.46Å; C2191-L2195 WeakPolarHBondContact O-CB 3.3Å; C2191-L2195 PolarHBondContact O-N 3.24Å; C2191-L2195 VanDerWaalsContact O-N 3.13Å; H2192-L2195 PolarHBondContact O-N 3.19Å; N2193-L2195 VanDerWaalsContact C-N 3.32Å; N2193-L2195 PolarHBondContact O-N 3.13Å; L2195-N2197 VanDerWaalsContact C-N 3.33Å; L2195-N2197 PolarHBondContact O-N 3.22Å; L2195-Y2198 PolarHBondContact O-N 3.25Å; L2195-N2199 WeakPolarHBondContact O-CB 3.45Å; L2195-N2199 PolarHBondContact O-N 3.07Å; L2195-N2199 VanDerWaalsContact O-N 3.08Å |
| 2196 | I | 84.6 | Confident | 75.9 | Confident | 67.4 Ų | 67.4 | 61.2 Ų | 61.2 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.1 | -65.8 | 166.6 | 0 | 0 | 0 | 110.5 | H2192 N2193 S2194 Y2198 N2199 N2200 | H2192-I2196 VanDerWaalsContact O-CG1 3.31Å; H2192-I2196 WeakPolarHBondContact O-CG1 3.34Å; H2192-I2196 PolarHBondContact O-N 3.22Å; H2192-I2196 VanDerWaalsContact O-N 3.14Å; N2193-I2196 PolarHBondContact O-N 3.22Å; S2194-I2196 VanDerWaalsContact C-N 3.34Å; S2194-I2196 PolarHBondContact O-N 3.16Å; I2196-Y2198 PolarHBondContact O-N 3.45Å; I2196-N2199 WeakPolarHBondContact O-CB 3.37Å; I2196-N2199 PolarHBondContact O-N 3.07Å; I2196-N2199 VanDerWaalsContact O-N 3.15Å; I2196-N2200 VanDerWaalsContact O-CG 3.24Å; I2196-N2200 PolarHBondContact O-N 3.21Å; I2196-N2200 PolarHBondContact O-ND2 3.08Å; I2196-N2200 PolarHBondContact O-OD1 3.11Å |
| 2197 | N | 86.5 | Confident | 78.2 | Confident | 90 Ų | 90 | 58.6 Ų | 58.6 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 179.4 | -70.9 | -15.6 | 0 | 0 | 0 | 112.4 | N2193 S2194 L2195 N2199 N2200 Q2201 | N2193-N2197 WeakPolarHBondContact O-CB 3.3Å; N2193-N2197 PolarHBondContact O-N 3.26Å; N2193-N2197 PolarHBondContact O-ND2 3.22Å; N2193-N2197 VanDerWaalsContact O-ND2 3.14Å; N2193-N2197 PolarHBondContact O-OD1 3.18Å; S2194-N2197 WeakPolarHBondContact O-CB 3.4Å; S2194-N2197 PolarHBondContact O-N 3.08Å; L2195-N2197 VanDerWaalsContact C-N 3.33Å; L2195-N2197 PolarHBondContact O-N 3.22Å; N2197-N2199 VanDerWaalsContact C-N 3.28Å; N2197-N2199 PolarHBondContact O-N 3.28Å; N2197-N2200 WeakPolarHBondContact O-CB 2.89Å; N2197-N2200 PolarHBondContact O-N 3.05Å; N2197-Q2201 WeakPolarHBondContact O-CG 3.42Å; N2197-Q2201 PolarHBondContact O-N 3.08Å |
| 2198 | Y | 87.6 | Confident | 80.3 | Confident | 76.4 Ų | 76.4 | 57.7 Ų | 57.7 | 30% | 0.3 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -31.5 | 176.7 | -70 | -59.2 | 0 | 0 | 0 | 112.5 | Q2170 C2174 S2194 L2195 I2196 Q2201 L2202 | Q2170-Y2198 HydrophobicContact CB-CD1 3.7Å; Q2170-Y2198 HydrophobicContact CB-CE1 3.85Å; Q2170-Y2198 HydrophobicContact CB-CG 4.34Å; Q2170-Y2198 HydrophobicContact CG-CE1 4.4Å; Q2170-Y2198 VanDerWaalsContact OE1-CE1 3.29Å; C2174-Y2198 HydrophobicContact CB-CD2 3.7Å; C2174-Y2198 HydrophobicContact CB-CE2 3.96Å; S2194-Y2198 WeakPolarHBondContact O-CD2 3.36Å; S2194-Y2198 PolarHBondContact O-N 3.13Å; L2195-Y2198 PolarHBondContact O-N 3.25Å; I2196-Y2198 PolarHBondContact O-N 3.45Å; Y2198-Q2201 PolarHBondContact O-N 3.1Å; Y2198-L2202 WeakPolarHBondContact O-CB 3.18Å; Y2198-L2202 PolarHBondContact O-N 3.05Å |
| 2199 | N | 88.1 | Confident | 82.3 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 171.8 | -166.5 | 62.2 | 0 | 0 | 0 | 112.5 | S2108 I2112 L2171 L2195 I2196 N2197 Q2201 L2202 Q2203 | S2108-N2199 PolarHBondContact OG-OD1 3Å; S2108-N2199 VanDerWaalsContact OG-OD1 3.05Å; I2112-N2199 HydrophobicContact CD1-CB 3.26Å; I2112-N2199 VanDerWaalsContact CD1-OD1 3.23Å; I2112-N2199 WeakPolarHBondContact CD1-OD1 3.31Å; L2171-N2199 HydrophobicContact CD1-CB 4.41Å; L2195-N2199 WeakPolarHBondContact O-CB 3.45Å; L2195-N2199 PolarHBondContact O-N 3.07Å; L2195-N2199 VanDerWaalsContact O-N 3.08Å; I2196-N2199 WeakPolarHBondContact O-CB 3.37Å; I2196-N2199 PolarHBondContact O-N 3.07Å; I2196-N2199 VanDerWaalsContact O-N 3.15Å; N2197-N2199 VanDerWaalsContact C-N 3.28Å; N2197-N2199 PolarHBondContact O-N 3.28Å; N2199-Q2201 VanDerWaalsContact C-N 3.27Å; N2199-Q2201 PolarHBondContact O-N 3.34Å; N2199-L2202 WeakPolarHBondContact O-CB 3.38Å; N2199-L2202 PolarHBondContact O-N 3.08Å; N2199-L2202 VanDerWaalsContact O-N 3.15Å; N2199-Q2203 PolarHBondContact ND2-NE2 3.1Å; N2199-Q2203 PolarHBondContact ND2-OE1 3.46Å; N2199-Q2203 WeakPolarHBondContact O-CB 3.2Å; N2199-Q2203 VanDerWaalsContact O-CG 3.3Å; N2199-Q2203 WeakPolarHBondContact O-CG 3.29Å; N2199-Q2203 PolarHBondContact O-N 3.14Å |
| 2200 | N | 89.1 | Confident | 83.9 | Confident | 77.6 Ų | 77.6 | 51.7 Ų | 51.7 | 42% | 0.415 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 176 | -65.6 | -18.8 | 0 | 0 | 0 | 110.9 | I2196 N2197 Q2203 Q2204 | I2196-N2200 VanDerWaalsContact O-CG 3.24Å; I2196-N2200 PolarHBondContact O-N 3.21Å; I2196-N2200 PolarHBondContact O-ND2 3.08Å; I2196-N2200 PolarHBondContact O-OD1 3.11Å; N2197-N2200 WeakPolarHBondContact O-CB 2.89Å; N2197-N2200 PolarHBondContact O-N 3.05Å; N2200-Q2203 PolarHBondContact O-N 3.01Å; N2200-Q2204 VanDerWaalsContact O-CB 3.29Å; N2200-Q2204 WeakPolarHBondContact O-CB 3.43Å; N2200-Q2204 PolarHBondContact O-N 3.21Å |
| 2201 | Q | 90.4 | Very high | 85.4 | Confident | 94.2 Ų | 94.2 | 52.8 Ų | 52.8 | 44% | 0.44 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 172.6 | -70.4 | 175.1 | 6.6 | 0 | 0 | 112.3 | N2197 Y2198 N2199 Q2204 A2205 | N2197-Q2201 WeakPolarHBondContact O-CG 3.42Å; N2197-Q2201 PolarHBondContact O-N 3.08Å; Y2198-Q2201 PolarHBondContact O-N 3.1Å; N2199-Q2201 VanDerWaalsContact C-N 3.27Å; N2199-Q2201 PolarHBondContact O-N 3.34Å; Q2201-Q2204 PolarHBondContact O-N 3.15Å; Q2201-A2205 WeakPolarHBondContact O-CB 3.37Å; Q2201-A2205 PolarHBondContact O-N 3.02Å |
| 2202 | L | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.5 | 176.2 | 64 | 0 | 0 | 0 | 111.6 | V2164 A2167 M2168 L2171 Y2198 N2199 Q2204 A2205 C2206 | V2164-L2202 HydrophobicContact CG1-CD1 4.06Å; A2167-L2202 HydrophobicContact CB-CB 4.14Å; A2167-L2202 HydrophobicContact CB-CD1 4.16Å; M2168-L2202 HydrophobicContact CB-CD1 4.32Å; M2168-L2202 HydrophobicContact CE-CD1 4.24Å; M2168-L2202 HydrophobicContact CE-CD2 3.56Å; M2168-L2202 VanDerWaalsContact CE-CD2 3.47Å; M2168-L2202 HydrophobicContact CE-CG 4.5Å; M2168-L2202 HydrophobicContact SD-CD2 4.34Å; L2171-L2202 HydrophobicContact CD2-CD2 3.91Å; Y2198-L2202 WeakPolarHBondContact O-CB 3.18Å; Y2198-L2202 PolarHBondContact O-N 3.05Å; N2199-L2202 WeakPolarHBondContact O-CB 3.38Å; N2199-L2202 PolarHBondContact O-N 3.08Å; N2199-L2202 VanDerWaalsContact O-N 3.15Å; L2202-Q2204 VanDerWaalsContact C-N 3.34Å; L2202-Q2204 PolarHBondContact O-N 3.21Å; L2202-A2205 PolarHBondContact O-N 3.19Å; L2202-C2206 PolarHBondContact O-N 3.37Å; L2202-C2206 PolarHBondContact O-SG 3.29Å |
| 2203 | Q | 91.1 | Very high | 87.4 | Confident | 50.6 Ų | 50.6 | 50.4 Ų | 50.4 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 176 | -73.6 | -175.9 | -50.9 | 0 | 0 | 111.4 | E2105 N2199 N2200 A2205 C2206 V2207 | E2105-Q2203 HydrophobicContact CG-CG 3.8Å; E2105-Q2203 PolarHBondContact OE1-NE2 3.01Å; N2199-Q2203 PolarHBondContact ND2-NE2 3.1Å; N2199-Q2203 PolarHBondContact ND2-OE1 3.46Å; N2199-Q2203 WeakPolarHBondContact O-CB 3.2Å; N2199-Q2203 VanDerWaalsContact O-CG 3.3Å; N2199-Q2203 WeakPolarHBondContact O-CG 3.29Å; N2199-Q2203 PolarHBondContact O-N 3.14Å; N2200-Q2203 PolarHBondContact O-N 3.01Å; Q2203-A2205 VanDerWaalsContact C-N 3.34Å; Q2203-A2205 PolarHBondContact O-N 3.1Å; Q2203-C2206 WeakPolarHBondContact O-CB 3.43Å; Q2203-C2206 PolarHBondContact O-N 3.28Å; Q2203-C2206 VanDerWaalsContact O-N 3.16Å; Q2203-V2207 WeakPolarHBondContact O-CG2 3.42Å; Q2203-V2207 PolarHBondContact O-N 3.04Å |
| 2204 | Q | 90.2 | Very high | 87.6 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 46% | 0.463 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 175.7 | -178.8 | 60.9 | 25.7 | 0 | 0 | 111.6 | N2200 Q2201 L2202 C2206 V2207 E2208 | N2200-Q2204 VanDerWaalsContact O-CB 3.29Å; N2200-Q2204 WeakPolarHBondContact O-CB 3.43Å; N2200-Q2204 PolarHBondContact O-N 3.21Å; Q2201-Q2204 PolarHBondContact O-N 3.15Å; L2202-Q2204 VanDerWaalsContact C-N 3.34Å; L2202-Q2204 PolarHBondContact O-N 3.21Å; Q2204-C2206 VanDerWaalsContact C-N 3.32Å; Q2204-C2206 PolarHBondContact O-N 3.12Å; Q2204-V2207 PolarHBondContact O-N 3.24Å; Q2204-V2207 VanDerWaalsContact O-N 3.14Å; Q2204-E2208 WeakPolarHBondContact CG-OE1 3.35Å; Q2204-E2208 PolarHBondContact NE2-OE1 2.94Å; Q2204-E2208 WeakPolarHBondContact O-CG 3.39Å; Q2204-E2208 PolarHBondContact O-N 3.09Å |
| 2205 | A | 90.8 | Very high | 87.7 | Confident | 3.4 Ų | 3.4 | 48.3 Ų | 48.3 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T2163 V2164 Q2201 L2202 Q2203 E2208 L2209 | T2163-A2205 HydrophobicContact CG2-CB 3.97Å; V2164-A2205 HydrophobicContact CG2-CB 3.85Å; Q2201-A2205 WeakPolarHBondContact O-CB 3.37Å; Q2201-A2205 PolarHBondContact O-N 3.02Å; L2202-A2205 PolarHBondContact O-N 3.19Å; Q2203-A2205 VanDerWaalsContact C-N 3.34Å; Q2203-A2205 PolarHBondContact O-N 3.1Å; A2205-E2208 PolarHBondContact O-N 3.01Å; A2205-L2209 VanDerWaalsContact O-CB 3.31Å; A2205-L2209 WeakPolarHBondContact O-CB 3.41Å; A2205-L2209 PolarHBondContact O-N 3.19Å |
| 2206 | C | 91.2 | Very high | 87.5 | Confident | 0.6 Ų | 0.6 | 48.3 Ų | 48.3 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 173.8 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | M2101 L2202 Q2203 Q2204 L2209 S2210 | M2101-C2206 HydrophobicContact CE-CB 4.39Å; M2101-C2206 HydrophobicContact CG-CB 3.81Å; M2101-C2206 VanDerWaalsContact CG-SG 3.58Å; M2101-C2206 HydrophobicContact SD-CB 3.85Å; M2101-C2206 VanDerWaalsContact SD-O 3.33Å; L2202-C2206 PolarHBondContact O-N 3.37Å; L2202-C2206 PolarHBondContact O-SG 3.29Å; Q2203-C2206 WeakPolarHBondContact O-CB 3.43Å; Q2203-C2206 PolarHBondContact O-N 3.28Å; Q2203-C2206 VanDerWaalsContact O-N 3.16Å; Q2204-C2206 VanDerWaalsContact C-N 3.32Å; Q2204-C2206 PolarHBondContact O-N 3.12Å; C2206-L2209 PolarHBondContact O-N 2.88Å; C2206-S2210 WeakPolarHBondContact O-CB 3.36Å; C2206-S2210 PolarHBondContact O-N 3.12Å; C2206-S2210 PolarHBondContact O-OG 3.07Å |
| 2207 | V | 89.9 | Confident | 87 | Confident | 73.6 Ų | 73.6 | 45.3 Ų | 45.3 | 45% | 0.446 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.5 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | Q2203 Q2204 S2210 K2211 | Q2203-V2207 WeakPolarHBondContact O-CG2 3.42Å; Q2203-V2207 PolarHBondContact O-N 3.04Å; Q2204-V2207 PolarHBondContact O-N 3.24Å; Q2204-V2207 VanDerWaalsContact O-N 3.14Å; V2207-S2210 WeakPolarHBondContact O-CB 3.4Å; V2207-S2210 PolarHBondContact O-N 3.35Å; V2207-K2211 HydrophobicContact CG1-CD 4.5Å; V2207-K2211 WeakPolarHBondContact O-CG 3.4Å; V2207-K2211 PolarHBondContact O-N 3.14Å |
| 2208 | E | 89.8 | Confident | 86.1 | Confident | 77.8 Ų | 77.8 | 42.5 Ų | 42.5 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 176 | -73 | 172.9 | -165.5 | 0 | 0 | 111.9 | L2160 Q2204 A2205 S2210 K2211 Q2212 | L2160-E2208 HydrophobicContact CD2-CB 3.92Å; Q2204-E2208 WeakPolarHBondContact CG-OE1 3.35Å; Q2204-E2208 PolarHBondContact NE2-OE1 2.94Å; Q2204-E2208 WeakPolarHBondContact O-CG 3.39Å; Q2204-E2208 PolarHBondContact O-N 3.09Å; A2205-E2208 PolarHBondContact O-N 3.01Å; E2208-S2210 VanDerWaalsContact C-N 3.33Å; E2208-S2210 PolarHBondContact O-N 3.08Å; E2208-K2211 PolarHBondContact O-N 3.07Å; E2208-Q2212 PolarHBondContact O-N 3.15Å; E2208-Q2212 VanDerWaalsContact O-N 3.07Å |
| 2209 | L | 91.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 173.5 | -179.1 | 58.7 | 0 | 0 | 0 | 112 | I2097 M2101 F2137 L2157 L2160 V2164 A2205 C2206 K2211 Q2212 I2213 | I2097-L2209 HydrophobicContact CG2-CD2 4.46Å; M2101-L2209 HydrophobicContact SD-CB 4.14Å; M2101-L2209 HydrophobicContact SD-CD2 3.96Å; M2101-L2209 HydrophobicContact SD-CG 4.12Å; F2137-L2209 HydrophobicContact CE2-CD2 3.65Å; F2137-L2209 HydrophobicContact CZ-CD2 3.49Å; F2137-L2209 VanDerWaalsContact CZ-CD2 3.48Å; L2157-L2209 HydrophobicContact CD1-CD1 3.57Å; L2157-L2209 VanDerWaalsContact CD1-CD1 3.49Å; L2160-L2209 HydrophobicContact CB-CB 4.28Å; L2160-L2209 HydrophobicContact CB-CD1 3.91Å; V2164-L2209 HydrophobicContact CG2-CB 4.42Å; V2164-L2209 HydrophobicContact CG2-CD2 4.05Å; A2205-L2209 VanDerWaalsContact O-CB 3.31Å; A2205-L2209 WeakPolarHBondContact O-CB 3.41Å; A2205-L2209 PolarHBondContact O-N 3.19Å; C2206-L2209 PolarHBondContact O-N 2.88Å; L2209-K2211 VanDerWaalsContact C-N 3.34Å; L2209-K2211 PolarHBondContact O-N 3.27Å; L2209-Q2212 PolarHBondContact O-N 3.16Å; L2209-I2213 HydrophobicContact CD1-CD1 4.34Å; L2209-I2213 HydrophobicContact CD1-CG1 4.44Å; L2209-I2213 HydrophobicContact CG-CD1 4.04Å; L2209-I2213 WeakPolarHBondContact O-CB 3.36Å; L2209-I2213 VanDerWaalsContact O-CG1 3.3Å; L2209-I2213 WeakPolarHBondContact O-CG1 3.36Å; L2209-I2213 PolarHBondContact O-N 3.29Å |
| 2210 | S | 88.2 | Confident | 84.1 | Confident | 18.2 Ų | 18.2 | 44.3 Ų | 44.3 | 13% | 0.127 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 174 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | M2101 C2206 V2207 E2208 Q2212 I2213 D2214 | M2101-S2210 WeakPolarHBondContact CE-OG 3.39Å; C2206-S2210 WeakPolarHBondContact O-CB 3.36Å; C2206-S2210 PolarHBondContact O-N 3.12Å; C2206-S2210 PolarHBondContact O-OG 3.07Å; V2207-S2210 WeakPolarHBondContact O-CB 3.4Å; V2207-S2210 PolarHBondContact O-N 3.35Å; E2208-S2210 VanDerWaalsContact C-N 3.33Å; E2208-S2210 PolarHBondContact O-N 3.08Å; S2210-Q2212 VanDerWaalsContact C-N 3.32Å; S2210-Q2212 PolarHBondContact O-N 3.2Å; S2210-I2213 WeakPolarHBondContact O-CB 3.28Å; S2210-I2213 PolarHBondContact O-N 3.06Å; S2210-D2214 WeakPolarHBondContact O-CB 3.44Å; S2210-D2214 VanDerWaalsContact O-CG 3.29Å; S2210-D2214 PolarHBondContact O-N 3.27Å |
| 2211 | K | 86.6 | Confident | 82.7 | Confident | 140.6 Ų | 140.6 | 41.2 Ų | 41.2 | 61% | 0.611 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.3 | -39.7 | 177.9 | -136.5 | 176 | -179.6 | 179 | 0 | 111.7 | V2207 E2208 L2209 D2214 T2215 | V2207-K2211 HydrophobicContact CG1-CD 4.5Å; V2207-K2211 WeakPolarHBondContact O-CG 3.4Å; V2207-K2211 PolarHBondContact O-N 3.14Å; E2208-K2211 PolarHBondContact O-N 3.07Å; L2209-K2211 VanDerWaalsContact C-N 3.34Å; L2209-K2211 PolarHBondContact O-N 3.27Å; K2211-D2214 PolarHBondContact O-N 3.18Å; K2211-T2215 WeakPolarHBondContact O-CB 3.41Å; K2211-T2215 PolarHBondContact O-N 2.97Å; K2211-T2215 PolarHBondContact O-OG1 3.14Å |
| 2212 | Q | 86.4 | Confident | 81.5 | Confident | 26.8 Ų | 26.8 | 38 Ų | 38 | 13% | 0.125 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 175.4 | -175.5 | 61.6 | 34.7 | 0 | 0 | 111.9 | N2156 L2160 E2208 L2209 S2210 D2214 T2215 I2216 | N2156-Q2212 HydrophobicContact CB-CG 4.39Å; L2160-Q2212 HydrophobicContact CD1-CB 3.54Å; L2160-Q2212 VanDerWaalsContact CD1-CB 3.49Å; L2160-Q2212 HydrophobicContact CD1-CG 3.95Å; E2208-Q2212 PolarHBondContact O-N 3.15Å; E2208-Q2212 VanDerWaalsContact O-N 3.07Å; L2209-Q2212 PolarHBondContact O-N 3.16Å; S2210-Q2212 VanDerWaalsContact C-N 3.32Å; S2210-Q2212 PolarHBondContact O-N 3.2Å; Q2212-D2214 VanDerWaalsContact C-N 3.33Å; Q2212-T2215 PolarHBondContact O-N 3.15Å; Q2212-I2216 HydrophobicContact CG-CD1 4.03Å; Q2212-I2216 HydrophobicContact CG-CG1 4.49Å; Q2212-I2216 WeakPolarHBondContact O-CB 3.34Å; Q2212-I2216 WeakPolarHBondContact O-CD1 3.36Å; Q2212-I2216 VanDerWaalsContact O-CG1 3.28Å; Q2212-I2216 WeakPolarHBondContact O-CG1 3.38Å; Q2212-I2216 PolarHBondContact O-N 2.98Å |
| 2213 | I | 85.8 | Confident | 80.6 | Confident | 4.2 Ų | 4.2 | 40.6 Ų | 40.6 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60 | -46.3 | 173 | -73.8 | 165.6 | 0 | 0 | 0 | 110.5 | L2094 I2097 L2157 L2209 S2210 T2215 I2216 A2217 | L2094-I2213 HydrophobicContact CB-CG2 4.17Å; L2094-I2213 HydrophobicContact CD2-CB 4.4Å; L2094-I2213 HydrophobicContact CD2-CG1 4.21Å; L2094-I2213 HydrophobicContact CD2-CG2 4.1Å; I2097-I2213 HydrophobicContact CB-CD1 4.21Å; I2097-I2213 HydrophobicContact CG2-CD1 3.58Å; L2157-I2213 HydrophobicContact CD1-CG1 4.41Å; L2209-I2213 HydrophobicContact CD1-CD1 4.34Å; L2209-I2213 HydrophobicContact CD1-CG1 4.44Å; L2209-I2213 HydrophobicContact CG-CD1 4.04Å; L2209-I2213 WeakPolarHBondContact O-CB 3.36Å; L2209-I2213 VanDerWaalsContact O-CG1 3.3Å; L2209-I2213 WeakPolarHBondContact O-CG1 3.36Å; L2209-I2213 PolarHBondContact O-N 3.29Å; S2210-I2213 WeakPolarHBondContact O-CB 3.28Å; S2210-I2213 PolarHBondContact O-N 3.06Å; I2213-T2215 VanDerWaalsContact C-N 3.33Å; I2213-T2215 PolarHBondContact O-N 3.17Å; I2213-I2216 PolarHBondContact O-N 3.21Å; I2213-A2217 VanDerWaalsContact O-CB 3.25Å; I2213-A2217 WeakPolarHBondContact O-CB 3.37Å; I2213-A2217 PolarHBondContact O-N 3.09Å |
| 2214 | D | 78.4 | Confident | 79.9 | Confident | 49.6 Ų | 49.6 | 42.8 Ų | 42.8 | 27% | 0.265 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.4 | -38.2 | 178.7 | -69.4 | -26.1 | 0 | 0 | 0 | 111.2 | R2098 S2210 K2211 Q2212 A2217 T2218 W2225 | R2098-D2214 IonicContact CZ-OD2 3.9Å; R2098-D2214 IonicContact NH1-OD1 3.12Å; R2098-D2214 PolarHBondContact NH1-OD1 3.22Å; R2098-D2214 IonicContact NH1-OD2 3.03Å; R2098-D2214 PolarHBondContact NH1-OD2 3.18Å; S2210-D2214 WeakPolarHBondContact O-CB 3.44Å; S2210-D2214 VanDerWaalsContact O-CG 3.29Å; S2210-D2214 PolarHBondContact O-N 3.27Å; K2211-D2214 PolarHBondContact O-N 3.18Å; Q2212-D2214 VanDerWaalsContact C-N 3.33Å; D2214-A2217 PolarHBondContact O-N 3.23Å; D2214-T2218 VanDerWaalsContact O-CG2 3.29Å; D2214-T2218 WeakPolarHBondContact O-CG2 3.42Å; D2214-T2218 PolarHBondContact O-N 3.03Å; D2214-T2218 PolarHBondContact O-OG1 3.28Å; D2214-W2225 HydrophobicContact CB-CH2 4.4Å; D2214-W2225 HydrophobicContact CB-CZ2 4.28Å; D2214-W2225 WeakPolarHBondContact OD1-CZ2 3.36Å |
| 2215 | T | 80.7 | Confident | 79.2 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 33% | 0.331 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -52.4 | 173.9 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | K2211 Q2212 I2213 A2217 T2218 E2219 | K2211-T2215 WeakPolarHBondContact O-CB 3.41Å; K2211-T2215 PolarHBondContact O-N 2.97Å; K2211-T2215 PolarHBondContact O-OG1 3.14Å; Q2212-T2215 PolarHBondContact O-N 3.15Å; I2213-T2215 VanDerWaalsContact C-N 3.33Å; I2213-T2215 PolarHBondContact O-N 3.17Å; T2215-A2217 VanDerWaalsContact C-N 3.26Å; T2215-A2217 PolarHBondContact O-N 3.14Å; T2215-T2218 WeakPolarHBondContact CA-OG1 3.38Å; T2215-T2218 PolarHBondContact O-N 3.07Å; T2215-T2218 VanDerWaalsContact O-N 3.11Å; T2215-T2218 PolarHBondContact O-OG1 3.09Å; T2215-E2219 HydrophobicContact CG2-CG 4.36Å; T2215-E2219 WeakPolarHBondContact CG2-OE2 3.47Å; T2215-E2219 WeakPolarHBondContact O-CB 3.28Å; T2215-E2219 WeakPolarHBondContact O-CG 3.44Å; T2215-E2219 PolarHBondContact O-N 3.02Å; T2215-E2219 VanDerWaalsContact O-N 3.13Å |
| 2216 | I | 78.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.6 | -41.7 | 175.8 | -72.3 | 167.7 | 0 | 0 | 0 | 110.9 | L2090 L2094 L2148 D2153 L2157 Q2212 I2213 E2219 Q2220 G2221 | L2090-I2216 HydrophobicContact CD2-CG2 4.48Å; L2094-I2216 HydrophobicContact CD1-CG2 3.92Å; L2094-I2216 HydrophobicContact CD2-CG2 4.27Å; L2148-I2216 HydrophobicContact CD1-CD1 3.97Å; L2148-I2216 HydrophobicContact CD2-CB 4.41Å; L2148-I2216 HydrophobicContact CD2-CD1 4.25Å; L2148-I2216 HydrophobicContact CD2-CG1 4.36Å; L2148-I2216 HydrophobicContact CD2-CG2 3.41Å; L2148-I2216 VanDerWaalsContact CD2-CG2 3.4Å; D2153-I2216 HydrophobicContact CB-CD1 4.41Å; D2153-I2216 HydrophobicContact CB-CG1 4.25Å; L2157-I2216 HydrophobicContact CB-CD1 4.18Å; L2157-I2216 HydrophobicContact CD1-CD1 4.29Å; L2157-I2216 HydrophobicContact CD2-CD1 4.28Å; L2157-I2216 HydrophobicContact CG-CD1 4.41Å; Q2212-I2216 HydrophobicContact CG-CD1 4.03Å; Q2212-I2216 HydrophobicContact CG-CG1 4.49Å; Q2212-I2216 WeakPolarHBondContact O-CB 3.34Å; Q2212-I2216 WeakPolarHBondContact O-CD1 3.36Å; Q2212-I2216 VanDerWaalsContact O-CG1 3.28Å; Q2212-I2216 WeakPolarHBondContact O-CG1 3.38Å; Q2212-I2216 PolarHBondContact O-N 2.98Å; I2213-I2216 PolarHBondContact O-N 3.21Å; I2216-E2219 PolarHBondContact O-N 3.21Å; I2216-Q2220 WeakPolarHBondContact O-CA 3.43Å; I2216-Q2220 WeakPolarHBondContact O-CB 3.33Å; I2216-Q2220 PolarHBondContact O-N 3.22Å; I2216-G2221 PolarHBondContact O-N 3.35Å |
| 2217 | A | 74.7 | Confident | 78.3 | Confident | 2.8 Ų | 2.8 | 41.3 Ų | 41.3 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.9 | -31.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2094 I2213 D2214 T2215 E2219 G2221 W2225 | L2094-A2217 HydrophobicContact CD1-CB 4.19Å; I2213-A2217 VanDerWaalsContact O-CB 3.25Å; I2213-A2217 WeakPolarHBondContact O-CB 3.37Å; I2213-A2217 PolarHBondContact O-N 3.09Å; D2214-A2217 PolarHBondContact O-N 3.23Å; T2215-A2217 VanDerWaalsContact C-N 3.26Å; T2215-A2217 PolarHBondContact O-N 3.14Å; A2217-E2219 VanDerWaalsContact C-N 3.33Å; A2217-E2219 PolarHBondContact O-N 3.04Å; A2217-G2221 WeakPolarHBondContact O-CA 3.39Å; A2217-G2221 PolarHBondContact O-N 3.3Å; A2217-W2225 HydrophobicContact CB-CD2 3.65Å; A2217-W2225 VanDerWaalsContact CB-CE2 3.49Å; A2217-W2225 HydrophobicContact CB-CE3 4.27Å; A2217-W2225 HydrophobicContact CB-CG 3.79Å; A2217-W2225 HydrophobicContact CB-CH2 4.46Å; A2217-W2225 HydrophobicContact CB-CZ2 3.87Å; A2217-W2225 VanDerWaalsContact CB-NE1 3.29Å |
| 2218 | T | 68.4 | Low | 77.9 | Confident | 32.4 Ų | 32.4 | 40.5 Ų | 40.5 | 20% | 0.199 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.8 | -27.6 | 171.8 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | D2214 T2215 W2225 S2301 | D2214-T2218 VanDerWaalsContact O-CG2 3.29Å; D2214-T2218 WeakPolarHBondContact O-CG2 3.42Å; D2214-T2218 PolarHBondContact O-N 3.03Å; D2214-T2218 PolarHBondContact O-OG1 3.28Å; T2215-T2218 WeakPolarHBondContact CA-OG1 3.38Å; T2215-T2218 PolarHBondContact O-N 3.07Å; T2215-T2218 VanDerWaalsContact O-N 3.11Å; T2215-T2218 PolarHBondContact O-OG1 3.09Å; T2218-W2225 HydrophobicContact CG2-CE3 4.28Å; T2218-W2225 HydrophobicContact CG2-CH2 3.57Å; T2218-W2225 VanDerWaalsContact CG2-CH2 3.47Å; T2218-W2225 HydrophobicContact CG2-CZ2 4.33Å; T2218-W2225 HydrophobicContact CG2-CZ3 3.42Å; T2218-W2225 VanDerWaalsContact CG2-CZ3 3.47Å; T2218-S2301 WeakPolarHBondContact CB-OG 3.31Å; T2218-S2301 VanDerWaalsContact CG2-OG 3.31Å; T2218-S2301 WeakPolarHBondContact CG2-OG 3.27Å; T2218-S2301 PolarHBondContact O-OG 3.47Å |
| 2219 | E | 68.5 | Low | 77.5 | Confident | 86.6 Ų | 86.6 | 37.9 Ų | 37.9 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -97.5 | -30.6 | -174.6 | -66.7 | 179.4 | 116.3 | 0 | 0 | 113.7 | R2150 T2215 I2216 A2217 | R2150-E2219 VanDerWaalsContact CZ-CD 3.48Å; R2150-E2219 IonicContact CZ-OE1 3.34Å; R2150-E2219 VanDerWaalsContact CZ-OE1 3.3Å; R2150-E2219 IonicContact CZ-OE2 3.29Å; R2150-E2219 VanDerWaalsContact CZ-OE2 3.32Å; R2150-E2219 IonicContact NH1-OE1 3.34Å; R2150-E2219 PolarHBondContact NH1-OE1 3.08Å; R2150-E2219 IonicContact NH1-OE2 3.18Å; R2150-E2219 PolarHBondContact NH1-OE2 2.93Å; R2150-E2219 IonicContact NH2-OE1 3.45Å; R2150-E2219 PolarHBondContact NH2-OE1 3.15Å; R2150-E2219 VanDerWaalsContact NH2-OE1 3.1Å; R2150-E2219 IonicContact NH2-OE2 3.02Å; R2150-E2219 PolarHBondContact NH2-OE2 3.25Å; T2215-E2219 HydrophobicContact CG2-CG 4.36Å; T2215-E2219 WeakPolarHBondContact CG2-OE2 3.47Å; T2215-E2219 WeakPolarHBondContact O-CB 3.28Å; T2215-E2219 WeakPolarHBondContact O-CG 3.44Å; T2215-E2219 PolarHBondContact O-N 3.02Å; T2215-E2219 VanDerWaalsContact O-N 3.13Å; I2216-E2219 PolarHBondContact O-N 3.21Å; A2217-E2219 VanDerWaalsContact C-N 3.33Å; A2217-E2219 PolarHBondContact O-N 3.04Å |
| 2220 | Q | 64.5 | Low | 77.2 | Confident | 37.4 Ų | 37.4 | 37.9 Ų | 37.9 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -119.8 | -13.5 | -178.4 | -58.1 | -172.7 | 37.2 | 0 | 0 | 113.2 | L2090 M2149 D2153 I2216 | L2090-Q2220 HydrophobicContact CD2-CB 4.04Å; L2090-Q2220 HydrophobicContact CD2-CG 4.43Å; L2090-Q2220 VanDerWaalsContact CD2-OE1 3.31Å; M2149-Q2220 VanDerWaalsContact N-OE1 3.12Å; D2153-Q2220 PolarHBondContact OD2-NE2 3.36Å; I2216-Q2220 WeakPolarHBondContact O-CA 3.43Å; I2216-Q2220 WeakPolarHBondContact O-CB 3.33Å; I2216-Q2220 PolarHBondContact O-N 3.22Å |
| 2221 | G | 58.8 | Low | 77.2 | Confident | 13.6 Ų | 13.6 | 40.8 Ų | 40.8 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74.8 | 139.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I2216 A2217 | I2216-G2221 PolarHBondContact O-N 3.35Å; A2217-G2221 WeakPolarHBondContact O-CA 3.39Å; A2217-G2221 PolarHBondContact O-N 3.3Å |
| 2222 | G | 65.2 | Low | 77 | Confident | 27.8 Ų | 27.8 | 36.7 Ų | 36.7 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | trans | -72.3 | -179.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E2091 N2224 W2225 | E2091-G2222 VanDerWaalsContact OE1-CA 3.27Å; E2091-G2222 WeakPolarHBondContact OE1-CA 3.5Å; E2091-G2222 PolarHBondContact OE1-N 3.09Å; E2091-G2222 VanDerWaalsContact OE1-N 3.1Å; G2222-N2224 PolarHBondContact O-N 3.02Å; G2222-W2225 PolarHBondContact O-N 3.03Å; G2222-W2225 VanDerWaalsContact O-N 3.08Å | ||
| 2223 | L | 73.5 | Confident | 76.9 | Confident | 53.8 Ų | 53.8 | 35.8 Ų | 35.8 | 28% | 0.282 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -46.9 | -29.7 | 172.2 | -170.1 | 73.6 | 0 | 0 | 0 | 113.6 | W2225 H2226 I2227 I2300 L2352 R2353 | L2223-W2225 PolarHBondContact O-N 3.08Å; L2223-H2226 PolarHBondContact O-N 3.2Å; L2223-I2227 HydrophobicContact CD2-CD1 4.22Å; L2223-I2227 HydrophobicContact CG-CD1 3.98Å; L2223-I2227 WeakPolarHBondContact O-CG1 3.34Å; L2223-I2227 PolarHBondContact O-N 3.32Å; L2223-I2227 VanDerWaalsContact O-N 3.09Å; L2223-I2300 HydrophobicContact CD1-CD1 4.26Å; L2223-I2300 HydrophobicContact CD1-CG2 4.37Å; L2223-L2352 HydrophobicContact CD1-CB 4.08Å; L2223-L2352 WeakPolarHBondContact CD1-O 3.43Å; L2223-L2352 WeakPolarHBondContact CD2-O 3.33Å; L2223-R2353 HydrophobicContact CD2-CG 4.34Å |
| 2224 | N | 76.9 | Confident | 77 | Confident | 96.6 Ų | 96.6 | 36.5 Ų | 36.5 | 52% | 0.517 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 178.4 | -70.6 | -20.9 | 0 | 0 | 0 | 113.2 | E2091 G2222 H2226 I2227 A2228 | E2091-N2224 WeakPolarHBondContact OE2-CB 3.48Å; G2222-N2224 PolarHBondContact O-N 3.02Å; N2224-H2226 VanDerWaalsContact C-N 3.35Å; N2224-I2227 PolarHBondContact O-N 3.25Å; N2224-A2228 WeakPolarHBondContact O-CB 3.34Å; N2224-A2228 PolarHBondContact O-N 3.08Å |
| 2225 | W | 74.9 | Confident | 77.2 | Confident | 52.4 Ų | 52.4 | 36.9 Ų | 36.9 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 178 | -175.9 | 89 | 0 | 0 | 0 | 111.4 | E2091 D2214 A2217 T2218 G2222 L2223 I2227 A2228 S2229 | E2091-W2225 HydrophobicContact CG-CB 4.44Å; E2091-W2225 PolarHBondContact OE1-N 2.88Å; D2214-W2225 HydrophobicContact CB-CH2 4.4Å; D2214-W2225 HydrophobicContact CB-CZ2 4.28Å; D2214-W2225 WeakPolarHBondContact OD1-CZ2 3.36Å; A2217-W2225 HydrophobicContact CB-CD2 3.65Å; A2217-W2225 VanDerWaalsContact CB-CE2 3.49Å; A2217-W2225 HydrophobicContact CB-CE3 4.27Å; A2217-W2225 HydrophobicContact CB-CG 3.79Å; A2217-W2225 HydrophobicContact CB-CH2 4.46Å; A2217-W2225 HydrophobicContact CB-CZ2 3.87Å; A2217-W2225 VanDerWaalsContact CB-NE1 3.29Å; T2218-W2225 HydrophobicContact CG2-CE3 4.28Å; T2218-W2225 HydrophobicContact CG2-CH2 3.57Å; T2218-W2225 VanDerWaalsContact CG2-CH2 3.47Å; T2218-W2225 HydrophobicContact CG2-CZ2 4.33Å; T2218-W2225 HydrophobicContact CG2-CZ3 3.42Å; T2218-W2225 VanDerWaalsContact CG2-CZ3 3.47Å; G2222-W2225 PolarHBondContact O-N 3.03Å; G2222-W2225 VanDerWaalsContact O-N 3.08Å; L2223-W2225 PolarHBondContact O-N 3.08Å; W2225-I2227 VanDerWaalsContact C-N 3.32Å; W2225-I2227 PolarHBondContact O-N 3.23Å; W2225-A2228 PolarHBondContact O-N 3.3Å; W2225-A2228 VanDerWaalsContact O-N 3.12Å; W2225-S2229 WeakPolarHBondContact CH2-OG 3.19Å; W2225-S2229 WeakPolarHBondContact CZ2-OG 3.35Å; W2225-S2229 WeakPolarHBondContact CZ3-OG 3.46Å; W2225-S2229 WeakPolarHBondContact O-CB 3.36Å; W2225-S2229 PolarHBondContact O-N 3.38Å; W2225-S2229 PolarHBondContact O-OG 3.33Å |
| 2226 | H | 80.7 | Confident | 77.2 | Confident | 6.4 Ų | 6.4 | 39.7 Ų | 39.7 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 174.8 | -72.4 | -56.2 | 0 | 0 | 0 | 112.4 | L2223 N2224 S2229 I2230 I2300 V2304 | L2223-H2226 PolarHBondContact O-N 3.2Å; N2224-H2226 VanDerWaalsContact C-N 3.35Å; H2226-S2229 PolarHBondContact O-N 3.05Å; H2226-I2230 WeakPolarHBondContact O-CG1 3.34Å; H2226-I2230 PolarHBondContact O-N 3.25Å; H2226-I2230 VanDerWaalsContact O-N 3.08Å; H2226-I2300 HydrophobicContact CB-CG2 4.28Å; H2226-V2304 HydrophobicContact CB-CG1 4.45Å; H2226-V2304 HydrophobicContact CB-CG2 3.68Å |
| 2227 | I | 83.2 | Confident | 77.4 | Confident | 12.4 Ų | 12.4 | 39.7 Ų | 39.7 | 6% | 0.064 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.6 | -68.3 | 166.1 | 0 | 0 | 0 | 111.4 | L2223 N2224 W2225 S2229 I2230 T2231 R2353 | L2223-I2227 HydrophobicContact CD2-CD1 4.22Å; L2223-I2227 HydrophobicContact CG-CD1 3.98Å; L2223-I2227 WeakPolarHBondContact O-CG1 3.34Å; L2223-I2227 PolarHBondContact O-N 3.32Å; L2223-I2227 VanDerWaalsContact O-N 3.09Å; N2224-I2227 PolarHBondContact O-N 3.25Å; W2225-I2227 VanDerWaalsContact C-N 3.32Å; W2225-I2227 PolarHBondContact O-N 3.23Å; I2227-S2229 VanDerWaalsContact C-N 3.33Å; I2227-S2229 PolarHBondContact O-N 3.14Å; I2227-I2230 PolarHBondContact O-N 3.14Å; I2227-T2231 WeakPolarHBondContact O-CB 3.43Å; I2227-T2231 PolarHBondContact O-N 3.03Å; I2227-T2231 PolarHBondContact O-OG1 2.96Å; I2227-R2353 HydrophobicContact CD1-CG 3.67Å |
| 2228 | A | 80.3 | Confident | 77.2 | Confident | 56.4 Ų | 56.4 | 43.9 Ų | 43.9 | 47% | 0.466 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N2224 W2225 T2231 S2232 | N2224-A2228 WeakPolarHBondContact O-CB 3.34Å; N2224-A2228 PolarHBondContact O-N 3.08Å; W2225-A2228 PolarHBondContact O-N 3.3Å; W2225-A2228 VanDerWaalsContact O-N 3.12Å; A2228-T2231 PolarHBondContact O-N 3.2Å; A2228-S2232 VanDerWaalsContact O-CB 3.31Å; A2228-S2232 WeakPolarHBondContact O-CB 3.38Å; A2228-S2232 PolarHBondContact O-N 3.3Å |
| 2229 | S | 81.9 | Confident | 76.7 | Confident | 23.8 Ų | 23.8 | 47.8 Ų | 47.8 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 175.5 | -154.2 | 0 | 0 | 0 | 0 | 112.1 | W2225 H2226 I2227 T2231 S2232 A2233 L2308 | W2225-S2229 WeakPolarHBondContact CH2-OG 3.19Å; W2225-S2229 WeakPolarHBondContact CZ2-OG 3.35Å; W2225-S2229 WeakPolarHBondContact CZ3-OG 3.46Å; W2225-S2229 WeakPolarHBondContact O-CB 3.36Å; W2225-S2229 PolarHBondContact O-N 3.38Å; W2225-S2229 PolarHBondContact O-OG 3.33Å; H2226-S2229 PolarHBondContact O-N 3.05Å; I2227-S2229 VanDerWaalsContact C-N 3.33Å; I2227-S2229 PolarHBondContact O-N 3.14Å; S2229-T2231 VanDerWaalsContact C-N 3.32Å; S2229-T2231 PolarHBondContact O-N 3.13Å; S2229-S2232 PolarHBondContact O-N 3.21Å; S2229-A2233 WeakPolarHBondContact O-CB 3.39Å; S2229-A2233 PolarHBondContact O-N 3.11Å; S2229-L2308 WeakPolarHBondContact OG-CD1 3.4Å |
| 2230 | I | 86.3 | Confident | 76 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 172.4 | -70.5 | 169.3 | 0 | 0 | 0 | 110.8 | H2226 I2227 S2232 A2233 C2234 V2304 F2307 G2345 S2349 L2352 | H2226-I2230 WeakPolarHBondContact O-CG1 3.34Å; H2226-I2230 PolarHBondContact O-N 3.25Å; H2226-I2230 VanDerWaalsContact O-N 3.08Å; I2227-I2230 PolarHBondContact O-N 3.14Å; I2230-S2232 PolarHBondContact O-N 2.6Å; I2230-A2233 PolarHBondContact O-N 3.13Å; I2230-C2234 PolarHBondContact O-N 3.32Å; I2230-C2234 PolarHBondContact O-SG 3.17Å; I2230-V2304 HydrophobicContact CD1-CG2 4.06Å; I2230-V2304 HydrophobicContact CG1-CG1 4.22Å; I2230-V2304 HydrophobicContact CG1-CG2 4.47Å; I2230-F2307 HydrophobicContact CB-CD1 4.34Å; I2230-F2307 HydrophobicContact CB-CE1 4.29Å; I2230-F2307 HydrophobicContact CG1-CD1 3.94Å; I2230-F2307 HydrophobicContact CG1-CE1 4.36Å; I2230-F2307 HydrophobicContact CG2-CD1 4.12Å; I2230-F2307 HydrophobicContact CG2-CE1 3.75Å; I2230-F2307 HydrophobicContact CG2-CZ 4.23Å; I2230-G2345 VanDerWaalsContact CG2-O 3.3Å; I2230-G2345 WeakPolarHBondContact CG2-O 3.31Å; I2230-S2349 VanDerWaalsContact CG2-OG 3.29Å; I2230-S2349 WeakPolarHBondContact CG2-OG 3.33Å; I2230-L2352 HydrophobicContact CD1-CD1 3.6Å |
| 2231 | T | 86.6 | Confident | 75.2 | Confident | 78.2 Ų | 78.2 | 47.1 Ų | 47.1 | 48% | 0.48 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | -178.5 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | I2227 A2228 S2229 A2233 C2234 S2235 | I2227-T2231 WeakPolarHBondContact O-CB 3.43Å; I2227-T2231 PolarHBondContact O-N 3.03Å; I2227-T2231 PolarHBondContact O-OG1 2.96Å; A2228-T2231 PolarHBondContact O-N 3.2Å; S2229-T2231 VanDerWaalsContact C-N 3.32Å; S2229-T2231 PolarHBondContact O-N 3.13Å; T2231-A2233 VanDerWaalsContact C-N 3.33Å; T2231-A2233 PolarHBondContact O-N 3.08Å; T2231-C2234 WeakPolarHBondContact O-CB 3.39Å; T2231-C2234 PolarHBondContact O-N 3.14Å; T2231-C2234 VanDerWaalsContact O-N 3.16Å; T2231-S2235 PolarHBondContact O-N 3.15Å; T2231-S2235 VanDerWaalsContact O-N 3.09Å; T2231-S2235 PolarHBondContact O-OG 3.1Å |
| 2232 | S | 82.4 | Confident | 74.2 | Confident | 56.4 Ų | 56.4 | 51 Ų | 51 | 39% | 0.394 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 176.3 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | A2228 S2229 I2230 C2234 S2235 K2236 | A2228-S2232 VanDerWaalsContact O-CB 3.31Å; A2228-S2232 WeakPolarHBondContact O-CB 3.38Å; A2228-S2232 PolarHBondContact O-N 3.3Å; S2229-S2232 PolarHBondContact O-N 3.21Å; I2230-S2232 PolarHBondContact O-N 2.6Å; S2232-C2234 VanDerWaalsContact C-N 3.33Å; S2232-S2235 WeakPolarHBondContact CA-OG 3.43Å; S2232-S2235 PolarHBondContact O-N 3.05Å; S2232-S2235 PolarHBondContact O-OG 3.09Å; S2232-K2236 VanDerWaalsContact O-CG 3.32Å; S2232-K2236 WeakPolarHBondContact O-CG 3.39Å; S2232-K2236 PolarHBondContact O-N 2.89Å; S2232-K2236 VanDerWaalsContact O-N 3.14Å |
| 2233 | A | 84.3 | Confident | 72.8 | Confident | 7.6 Ų | 7.6 | 57 Ų | 57 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | S2229 I2230 T2231 K2236 L2237 F2307 L2308 T2311 | S2229-A2233 WeakPolarHBondContact O-CB 3.39Å; S2229-A2233 PolarHBondContact O-N 3.11Å; I2230-A2233 PolarHBondContact O-N 3.13Å; T2231-A2233 VanDerWaalsContact C-N 3.33Å; T2231-A2233 PolarHBondContact O-N 3.08Å; A2233-K2236 PolarHBondContact O-N 3.06Å; A2233-L2237 PolarHBondContact O-N 3.42Å; A2233-F2307 HydrophobicContact CB-CE1 4.43Å; A2233-L2308 HydrophobicContact CB-CD2 3.44Å; A2233-L2308 VanDerWaalsContact CB-CD2 3.44Å; A2233-T2311 HydrophobicContact CB-CG2 4.03Å; A2233-T2311 WeakPolarHBondContact O-CG2 3.44Å |
| 2234 | C | 87.7 | Confident | 70.8 | Confident | 18.4 Ų | 18.4 | 58.9 Ų | 58.9 | 12% | 0.124 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.7 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | I2230 T2231 S2232 K2236 L2237 Q2342 | I2230-C2234 PolarHBondContact O-N 3.32Å; I2230-C2234 PolarHBondContact O-SG 3.17Å; T2231-C2234 WeakPolarHBondContact O-CB 3.39Å; T2231-C2234 PolarHBondContact O-N 3.14Å; T2231-C2234 VanDerWaalsContact O-N 3.16Å; S2232-C2234 VanDerWaalsContact C-N 3.33Å; C2234-K2236 VanDerWaalsContact C-N 3.33Å; C2234-K2236 PolarHBondContact O-N 3.02Å; C2234-L2237 WeakPolarHBondContact O-CB 3.35Å; C2234-L2237 PolarHBondContact O-N 3.02Å; C2234-L2237 VanDerWaalsContact O-N 3.12Å; C2234-Q2342 HydrophobicContact CB-CG 4.31Å; C2234-Q2342 PolarHBondContact O-NE2 3.07Å |
| 2235 | S | 83.3 | Confident | 68.5 | Low | 58 Ų | 58 | 61.9 Ų | 61.9 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.2 | -33.3 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 112.5 | T2231 S2232 L2237 D2238 D2239 | T2231-S2235 PolarHBondContact O-N 3.15Å; T2231-S2235 VanDerWaalsContact O-N 3.09Å; T2231-S2235 PolarHBondContact O-OG 3.1Å; S2232-S2235 WeakPolarHBondContact CA-OG 3.43Å; S2232-S2235 PolarHBondContact O-N 3.05Å; S2232-S2235 PolarHBondContact O-OG 3.09Å; S2235-L2237 PolarHBondContact O-N 3.18Å; S2235-D2238 WeakPolarHBondContact O-CB 3.4Å; S2235-D2238 PolarHBondContact O-N 3.28Å; S2235-D2238 VanDerWaalsContact O-N 3.1Å; S2235-D2239 PolarHBondContact O-N 3.2Å |
| 2236 | K | 81 | Confident | 66.3 | Low | 112.4 Ų | 112.4 | 63.1 Ų | 63.1 | 49% | 0.489 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -23.5 | 173.4 | -71.6 | 172.8 | -175.9 | -179.4 | 0 | 113.1 | S2232 A2233 C2234 T2240 Q2315 | S2232-K2236 VanDerWaalsContact O-CG 3.32Å; S2232-K2236 WeakPolarHBondContact O-CG 3.39Å; S2232-K2236 PolarHBondContact O-N 2.89Å; S2232-K2236 VanDerWaalsContact O-N 3.14Å; A2233-K2236 PolarHBondContact O-N 3.06Å; C2234-K2236 VanDerWaalsContact C-N 3.33Å; C2234-K2236 PolarHBondContact O-N 3.02Å; K2236-T2240 WeakPolarHBondContact O-CG2 3.5Å; K2236-Q2315 PolarHBondContact O-NE2 2.82Å; K2236-Q2315 VanDerWaalsContact O-NE2 3.14Å |
| 2237 | L | 82 | Confident | 63.9 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -73.8 | -31.2 | 173.7 | -67.4 | 175 | 0 | 0 | 0 | 112.4 | A2233 C2234 S2235 D2239 T2240 V2241 T2311 V2314 Q2315 C2338 T2341 Q2342 | A2233-L2237 PolarHBondContact O-N 3.42Å; C2234-L2237 WeakPolarHBondContact O-CB 3.35Å; C2234-L2237 PolarHBondContact O-N 3.02Å; C2234-L2237 VanDerWaalsContact O-N 3.12Å; S2235-L2237 PolarHBondContact O-N 3.18Å; L2237-D2239 VanDerWaalsContact C-N 3.33Å; L2237-D2239 PolarHBondContact O-N 3.46Å; L2237-T2240 WeakPolarHBondContact O-CB 3.39Å; L2237-T2240 WeakPolarHBondContact O-CG2 3.29Å; L2237-T2240 PolarHBondContact O-N 3.23Å; L2237-T2240 PolarHBondContact O-OG1 3.12Å; L2237-V2241 PolarHBondContact O-N 3.46Å; L2237-T2311 HydrophobicContact CD1-CG2 3.85Å; L2237-T2311 HydrophobicContact CD2-CG2 3.9Å; L2237-T2311 HydrophobicContact CG-CG2 3.72Å; L2237-V2314 HydrophobicContact CD2-CB 4.37Å; L2237-V2314 HydrophobicContact CD2-CG1 4.11Å; L2237-Q2315 HydrophobicContact CD2-CB 4.36Å; L2237-C2338 HydrophobicContact CB-CB 4.44Å; L2237-T2341 HydrophobicContact CD1-CG2 3.74Å; L2237-Q2342 HydrophobicContact CB-CG 4.32Å; L2237-Q2342 HydrophobicContact CD1-CG 3.96Å |
| 2238 | D | 71.2 | Confident | 61.6 | Low | 90.6 Ų | 90.6 | 76.6 Ų | 76.6 | 48% | 0.484 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.9 | -71.6 | -39.8 | 0 | 0 | 0 | 111.6 | S2235 T2240 V2241 S2242 Q2342 | S2235-D2238 WeakPolarHBondContact O-CB 3.4Å; S2235-D2238 PolarHBondContact O-N 3.28Å; S2235-D2238 VanDerWaalsContact O-N 3.1Å; D2238-T2240 PolarHBondContact O-N 3.24Å; D2238-T2240 VanDerWaalsContact O-N 3.1Å; D2238-V2241 VanDerWaalsContact O-CB 3.28Å; D2238-V2241 WeakPolarHBondContact O-CB 3.38Å; D2238-V2241 WeakPolarHBondContact O-CG2 3.42Å; D2238-V2241 PolarHBondContact O-N 3.15Å; D2238-S2242 PolarHBondContact O-N 3.09Å; D2238-Q2342 VanDerWaalsContact CG-NE2 3.32Å; D2238-Q2342 PolarHBondContact OD1-NE2 3.22Å; D2238-Q2342 PolarHBondContact OD2-NE2 3.16Å |
| 2239 | D | 58.6 | Low | 59.1 | Low | 115 Ų | 115 | 83.3 Ų | 83.3 | 62% | 0.615 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -22.9 | 178.1 | -70.6 | -30.7 | 0 | 0 | 0 | 112.8 | S2235 L2237 V2241 S2242 | S2235-D2239 PolarHBondContact O-N 3.2Å; L2237-D2239 VanDerWaalsContact C-N 3.33Å; L2237-D2239 PolarHBondContact O-N 3.46Å; D2239-V2241 VanDerWaalsContact C-N 3.27Å; D2239-V2241 PolarHBondContact O-N 3.24Å; D2239-V2241 VanDerWaalsContact O-N 3.12Å; D2239-S2242 PolarHBondContact O-N 3.18Å; D2239-S2242 VanDerWaalsContact O-N 3.1Å |
| 2240 | T | 53.3 | Low | 56.7 | Low | 17.4 Ų | 17.4 | 88.6 Ų | 88.6 | 11% | 0.107 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -65.9 | -14.2 | 177.1 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | K2236 L2237 D2238 S2242 Q2315 K2322 | K2236-T2240 WeakPolarHBondContact O-CG2 3.5Å; L2237-T2240 WeakPolarHBondContact O-CB 3.39Å; L2237-T2240 WeakPolarHBondContact O-CG2 3.29Å; L2237-T2240 PolarHBondContact O-N 3.23Å; L2237-T2240 PolarHBondContact O-OG1 3.12Å; D2238-T2240 PolarHBondContact O-N 3.24Å; D2238-T2240 VanDerWaalsContact O-N 3.1Å; T2240-S2242 VanDerWaalsContact C-N 3.31Å; T2240-Q2315 HydrophobicContact CG2-CB 4.34Å; T2240-Q2315 HydrophobicContact CG2-CG 3.96Å; T2240-Q2315 VanDerWaalsContact CG2-NE2 3.29Å; T2240-K2322 VanDerWaalsContact C-NZ 3.29Å; T2240-K2322 VanDerWaalsContact CB-NZ 3.29Å; T2240-K2322 PolarHBondContact O-NZ 3.15Å; T2240-K2322 PolarHBondContact OG1-NZ 3.11Å; T2240-K2322 VanDerWaalsContact OG1-NZ 3.12Å |
| 2241 | V | 47.9 | Very low | 54 | Low | 90.4 Ų | 90.4 | 95.9 Ų | 95.9 | 55% | 0.548 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -77.6 | -20.2 | 178.3 | -177 | 0 | 0 | 0 | 0 | 111.8 | L2237 D2238 D2239 L2243 | L2237-V2241 PolarHBondContact O-N 3.46Å; D2238-V2241 VanDerWaalsContact O-CB 3.28Å; D2238-V2241 WeakPolarHBondContact O-CB 3.38Å; D2238-V2241 WeakPolarHBondContact O-CG2 3.42Å; D2238-V2241 PolarHBondContact O-N 3.15Å; D2239-V2241 VanDerWaalsContact C-N 3.27Å; D2239-V2241 PolarHBondContact O-N 3.24Å; D2239-V2241 VanDerWaalsContact O-N 3.12Å; V2241-L2243 PolarHBondContact O-N 3.42Å |
| 2242 | S | 37.3 | Very low | 51.6 | Low | 97 Ų | 97 | 96.2 Ų | 96.2 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 11.2 | -171.2 | -63.3 | 0 | 0 | 0 | 0 | 115.7 | D2238 D2239 T2240 S2244 | D2238-S2242 PolarHBondContact O-N 3.09Å; D2239-S2242 PolarHBondContact O-N 3.18Å; D2239-S2242 VanDerWaalsContact O-N 3.1Å; T2240-S2242 VanDerWaalsContact C-N 3.31Å; S2242-S2244 PolarHBondContact O-N 3.22Å |
| 2243 | L | 35.5 | Very low | 49.3 | Very low | 152.8 Ų | 152.8 | 101.3 Ų | 101.3 | 80% | 0.8 | 58% | 0.58 | S | S | * | * | trans | -90.1 | 51.5 | 175.4 | -82.3 | 145 | 0 | 0 | 0 | 112.6 | V2241 N2245 | V2241-L2243 PolarHBondContact O-N 3.42Å; L2243-N2245 VanDerWaalsContact C-N 3.31Å; L2243-N2245 PolarHBondContact O-N 2.91Å | ||
| 2244 | S | 31.4 | Very low | 47.2 | Very low | 93.6 Ų | 93.6 | 109.1 Ų | 109.1 | 66% | 0.655 | 62% | 0.615 | S | S | * | * | trans | -114.1 | 84.2 | 164.1 | 81.2 | 0 | 0 | 0 | 0 | 109.5 | S2242 G2246 | S2242-S2244 PolarHBondContact O-N 3.22Å; S2244-G2246 PolarHBondContact O-N 3.11Å | ||
| 2245 | N | 28.4 | Very low | 44.9 | Very low | 159.8 Ų | 159.8 | 113.2 Ų | 113.2 | 86% | 0.855 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -178.7 | 86.4 | 160.2 | -81.2 | -28.6 | 0 | 0 | 0 | 112.2 | L2243 S2247 | L2243-N2245 VanDerWaalsContact C-N 3.31Å; L2243-N2245 PolarHBondContact O-N 2.91Å; N2245-S2247 VanDerWaalsContact C-N 3.25Å; N2245-S2247 PolarHBondContact O-N 3Å; N2245-S2247 VanDerWaalsContact O-N 3.14Å |
| 2246 | G | 29.3 | Very low | 42.8 | Very low | 76.6 Ų | 76.6 | 113.5 Ų | 113.5 | 79% | 0.79 | 64% | 0.641 | S | S | * | * | trans | 146.6 | 65.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117 | S2244 Q2248 | S2244-G2246 PolarHBondContact O-N 3.11Å; G2246-Q2248 PolarHBondContact O-N 3.37Å | ||
| 2247 | S | 30.7 | Very low | 40.9 | Very low | 118.2 Ų | 118.2 | 111.6 Ų | 111.6 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 170.8 | 57.5 | 150.8 | -165.8 | 0 | 0 | 0 | 0 | 116 | N2245 | N2245-S2247 VanDerWaalsContact C-N 3.25Å; N2245-S2247 PolarHBondContact O-N 3Å; N2245-S2247 VanDerWaalsContact O-N 3.14Å |
| 2248 | Q | 33.8 | Very low | 39.4 | Very low | 184.6 Ų | 184.6 | 114.6 Ų | 114.6 | 86% | 0.863 | 67% | 0.668 | S | S | * | * | trans | -142.6 | 78.9 | 150 | -87.1 | -171.1 | -8.4 | 0 | 0 | 109.2 | G2246 N2250 | G2246-Q2248 PolarHBondContact O-N 3.37Å; Q2248-N2250 VanDerWaalsContact C-N 3.35Å; Q2248-N2250 PolarHBondContact O-N 3.12Å | ||
| 2249 | K | 29.2 | Very low | 38.5 | Very low | 197.4 Ų | 197.4 | 112.3 Ų | 112.3 | 86% | 0.858 | 66% | 0.655 | S | S | * | * | trans | -82.8 | 113.3 | 149.8 | -81.9 | -177 | 173.8 | -178.8 | 0 | 105.7 | ||||
| 2250 | N | 30.9 | Very low | 38.3 | Very low | 135.6 Ų | 135.6 | 107.4 Ų | 107.4 | 73% | 0.725 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 168 | 123.4 | 158.9 | -73.3 | -17.8 | 0 | 0 | 0 | 110.1 | Q2248 | Q2248-N2250 VanDerWaalsContact C-N 3.35Å; Q2248-N2250 PolarHBondContact O-N 3.12Å |
| 2251 | D | 29.4 | Very low | 38.3 | Very low | 153.4 Ų | 153.4 | 109 Ų | 109 | 82% | 0.82 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 56.6 | 85.3 | 160.2 | -50.7 | -34.4 | 0 | 0 | 0 | 117.9 | ||
| 2252 | S | 35.2 | Very low | 39.2 | Very low | 83.6 Ų | 83.6 | 107.8 Ų | 107.8 | 59% | 0.585 | 64% | 0.635 | S | S | * | * | trans | -166.2 | 75.8 | 144.7 | 41.6 | 0 | 0 | 0 | 0 | 111.8 | E2254 N2255 | S2252-E2254 PolarHBondContact O-N 3.07Å; S2252-E2254 VanDerWaalsContact O-N 3.12Å; S2252-N2255 PolarHBondContact O-N 3.48Å; S2252-N2255 PolarHBondContact OG-ND2 3.25Å | ||
| 2253 | N | 35.1 | Very low | 40.7 | Very low | 163.8 Ų | 163.8 | 103.6 Ų | 103.6 | 88% | 0.876 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 4.5 | 176.1 | -84.2 | -6.6 | 0 | 0 | 0 | 114.7 | ||
| 2254 | E | 39.4 | Very low | 42.2 | Very low | 171.6 Ų | 171.6 | 98 Ų | 98 | 80% | 0.802 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -16.8 | -176.7 | -71.4 | -172.4 | 142 | 0 | 0 | 114.5 | S2252 A2256 | S2252-E2254 PolarHBondContact O-N 3.07Å; S2252-E2254 VanDerWaalsContact O-N 3.12Å; E2254-A2256 VanDerWaalsContact C-N 3.29Å; E2254-A2256 PolarHBondContact O-N 3.04Å |
| 2255 | N | 39.6 | Very low | 44.1 | Very low | 105 Ų | 105 | 98.3 Ų | 98.3 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -83.9 | -6.3 | -177.8 | -71.9 | -32.6 | 0 | 0 | 0 | 114.4 | S2252 A2257 S2258 L2259 | S2252-N2255 PolarHBondContact O-N 3.48Å; S2252-N2255 PolarHBondContact OG-ND2 3.25Å; N2255-A2257 VanDerWaalsContact C-N 3.31Å; N2255-A2257 PolarHBondContact O-N 2.92Å; N2255-S2258 PolarHBondContact O-N 2.96Å; N2255-S2258 PolarHBondContact O-OG 3.19Å; N2255-L2259 VanDerWaalsContact O-CD1 3.31Å; N2255-L2259 WeakPolarHBondContact O-CD1 3.38Å |
| 2256 | A | 39.8 | Very low | 46.3 | Very low | 63.6 Ų | 63.6 | 90.8 Ų | 90.8 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -66.5 | -29.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E2254 S2258 L2259 | E2254-A2256 VanDerWaalsContact C-N 3.29Å; E2254-A2256 PolarHBondContact O-N 3.04Å; A2256-S2258 VanDerWaalsContact C-N 3.3Å; A2256-S2258 PolarHBondContact O-N 3.12Å; A2256-L2259 VanDerWaalsContact CA-CD1 3.48Å; A2256-L2259 WeakPolarHBondContact O-CD1 3.26Å; A2256-L2259 PolarHBondContact O-N 2.99Å |
| 2257 | A | 40.3 | Very low | 48.5 | Very low | 73.6 Ų | 73.6 | 88.4 Ų | 88.4 | 61% | 0.608 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -74.1 | -15.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N2255 | N2255-A2257 VanDerWaalsContact C-N 3.31Å; N2255-A2257 PolarHBondContact O-N 2.92Å |
| 2258 | S | 51.1 | Low | 50.5 | Low | 63.2 Ų | 63.2 | 84.2 Ų | 84.2 | 44% | 0.442 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -103.2 | -11.9 | -175.6 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | N2255 A2256 A2261 N2262 | N2255-S2258 PolarHBondContact O-N 2.96Å; N2255-S2258 PolarHBondContact O-OG 3.19Å; A2256-S2258 VanDerWaalsContact C-N 3.3Å; A2256-S2258 PolarHBondContact O-N 3.12Å; S2258-A2261 PolarHBondContact O-N 3.24Å; S2258-N2262 WeakPolarHBondContact O-CB 3.48Å; S2258-N2262 VanDerWaalsContact O-CG 3.29Å; S2258-N2262 PolarHBondContact O-N 3.17Å; S2258-N2262 VanDerWaalsContact O-N 3.11Å; S2258-N2262 PolarHBondContact O-ND2 3.48Å |
| 2259 | L | 53.3 | Low | 52.6 | Low | 41.6 Ų | 41.6 | 78.9 Ų | 78.9 | 22% | 0.218 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.4 | -43.7 | -175.4 | -91.6 | 91 | 0 | 0 | 0 | 114.2 | N2255 A2256 A2261 N2262 F2263 V2320 M2323 W2540 | N2255-L2259 VanDerWaalsContact O-CD1 3.31Å; N2255-L2259 WeakPolarHBondContact O-CD1 3.38Å; A2256-L2259 VanDerWaalsContact CA-CD1 3.48Å; A2256-L2259 WeakPolarHBondContact O-CD1 3.26Å; A2256-L2259 PolarHBondContact O-N 2.99Å; L2259-A2261 PolarHBondContact O-N 3.14Å; L2259-N2262 WeakPolarHBondContact O-CB 3.15Å; L2259-N2262 PolarHBondContact O-N 3.04Å; L2259-F2263 PolarHBondContact O-N 3.36Å; L2259-F2263 VanDerWaalsContact O-N 3.09Å; L2259-V2320 HydrophobicContact CD2-CG1 4.23Å; L2259-V2320 HydrophobicContact CG-CG1 4.38Å; L2259-V2320 HydrophobicContact CG-CG2 4.44Å; L2259-M2323 HydrophobicContact CD2-CB 4.25Å; L2259-M2323 HydrophobicContact CD2-CG 4.44Å; L2259-W2540 HydrophobicContact CB-CH2 4.25Å; L2259-W2540 HydrophobicContact CB-CZ3 4.37Å; L2259-W2540 HydrophobicContact CD2-CH2 4.09Å; L2259-W2540 HydrophobicContact CD2-CZ3 4.18Å |
| 2260 | P | 52.8 | Low | 55.2 | Low | 12.8 Ų | 12.8 | 69.6 Ų | 69.6 | 8% | 0.083 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.1 | -38.4 | -176.5 | -21.2 | 33.4 | 0 | 0 | 0 | 113.6 | N2262 F2263 V2264 A2536 W2540 L2548 | P2260-N2262 VanDerWaalsContact C-N 3.28Å; P2260-N2262 PolarHBondContact O-N 3.2Å; P2260-F2263 PolarHBondContact O-N 3.33Å; P2260-V2264 WeakPolarHBondContact O-CG2 3.32Å; P2260-V2264 PolarHBondContact O-N 3.1Å; P2260-V2264 VanDerWaalsContact O-N 3.17Å; P2260-A2536 HydrophobicContact CB-CB 3.91Å; P2260-W2540 HydrophobicContact CB-CD2 4.33Å; P2260-W2540 HydrophobicContact CB-CE3 3.68Å; P2260-W2540 HydrophobicContact CB-CZ3 3.64Å; P2260-W2540 HydrophobicContact CG-CB 4.41Å; P2260-W2540 HydrophobicContact CG-CD2 4.16Å; P2260-W2540 HydrophobicContact CG-CE3 4.02Å; P2260-W2540 HydrophobicContact CG-CG 4.23Å; P2260-W2540 HydrophobicContact CG-CZ3 4.24Å; P2260-L2548 HydrophobicContact CB-CD1 4.15Å; P2260-L2548 HydrophobicContact CB-CD2 3.86Å; P2260-L2548 HydrophobicContact CB-CG 3.84Å; P2260-L2548 HydrophobicContact CG-CD1 3.98Å; P2260-L2548 HydrophobicContact CG-CD2 4.08Å; P2260-L2548 HydrophobicContact CG-CG 4.22Å |
| 2261 | A | 53.4 | Low | 57.7 | Low | 50.2 Ų | 50.2 | 63.6 Ų | 63.6 | 42% | 0.415 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S2258 L2259 F2263 V2264 Q2265 L2551 | S2258-A2261 PolarHBondContact O-N 3.24Å; L2259-A2261 PolarHBondContact O-N 3.14Å; A2261-F2263 VanDerWaalsContact C-N 3.33Å; A2261-F2263 PolarHBondContact O-N 3.19Å; A2261-V2264 PolarHBondContact O-N 3.14Å; A2261-Q2265 WeakPolarHBondContact O-CG 3.44Å; A2261-Q2265 PolarHBondContact O-N 3.23Å; A2261-Q2265 VanDerWaalsContact O-N 3.12Å; A2261-L2551 HydrophobicContact CB-CD2 4.36Å |
| 2262 | N | 66.8 | Low | 60.1 | Low | 66.2 Ų | 66.2 | 59.6 Ų | 59.6 | 35% | 0.354 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.5 | -145.4 | -3.6 | 0 | 0 | 0 | 111.4 | S2258 L2259 P2260 V2264 Q2265 L2266 | S2258-N2262 WeakPolarHBondContact O-CB 3.48Å; S2258-N2262 VanDerWaalsContact O-CG 3.29Å; S2258-N2262 PolarHBondContact O-N 3.17Å; S2258-N2262 VanDerWaalsContact O-N 3.11Å; S2258-N2262 PolarHBondContact O-ND2 3.48Å; L2259-N2262 WeakPolarHBondContact O-CB 3.15Å; L2259-N2262 PolarHBondContact O-N 3.04Å; P2260-N2262 VanDerWaalsContact C-N 3.28Å; P2260-N2262 PolarHBondContact O-N 3.2Å; N2262-V2264 VanDerWaalsContact C-N 3.34Å; N2262-V2264 PolarHBondContact O-N 3.14Å; N2262-Q2265 PolarHBondContact O-N 3.14Å; N2262-L2266 VanDerWaalsContact O-CB 3.31Å; N2262-L2266 WeakPolarHBondContact O-CB 3.38Å; N2262-L2266 WeakPolarHBondContact O-CD1 3.4Å; N2262-L2266 VanDerWaalsContact O-CG 3.29Å; N2262-L2266 WeakPolarHBondContact O-CG 3.29Å; N2262-L2266 PolarHBondContact O-N 3.2Å; N2262-L2266 VanDerWaalsContact OD1-CD1 3.29Å; N2262-L2266 WeakPolarHBondContact OD1-CD1 3.49Å; N2262-L2266 WeakPolarHBondContact OD1-CG 3.41Å |
| 2263 | F | 69.8 | Low | 62.5 | Low | 7.8 Ų | 7.8 | 56.1 Ų | 56.1 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 176.3 | 179.5 | -96.9 | 0 | 0 | 0 | 113 | L2259 P2260 A2261 Q2265 L2266 H2267 M2317 V2320 L2321 L2333 Y2535 W2540 | L2259-F2263 PolarHBondContact O-N 3.36Å; L2259-F2263 VanDerWaalsContact O-N 3.09Å; P2260-F2263 PolarHBondContact O-N 3.33Å; A2261-F2263 VanDerWaalsContact C-N 3.33Å; A2261-F2263 PolarHBondContact O-N 3.19Å; F2263-Q2265 VanDerWaalsContact C-N 3.31Å; F2263-Q2265 PolarHBondContact O-N 3.31Å; F2263-L2266 PolarHBondContact O-N 3.04Å; F2263-H2267 HydrophobicContact CE1-CB 4.46Å; F2263-H2267 VanDerWaalsContact O-CB 3.29Å; F2263-H2267 WeakPolarHBondContact O-CB 3.38Å; F2263-H2267 PolarHBondContact O-N 3.32Å; F2263-M2317 HydrophobicContact CD2-CE 4.04Å; F2263-M2317 HydrophobicContact CD2-CG 4.2Å; F2263-M2317 HydrophobicContact CE1-CE 4.39Å; F2263-M2317 HydrophobicContact CE2-CE 3.23Å; F2263-M2317 HydrophobicContact CE2-CG 4.04Å; F2263-M2317 HydrophobicContact CE2-SD 4.39Å; F2263-M2317 HydrophobicContact CZ-CE 3.49Å; F2263-M2317 VanDerWaalsContact CZ-CE 3.46Å; F2263-V2320 HydrophobicContact CB-CG1 4.22Å; F2263-V2320 HydrophobicContact CD2-CG1 4.45Å; F2263-L2321 HydrophobicContact CD2-CD2 4.26Å; F2263-L2321 HydrophobicContact CD2-CG 4.34Å; F2263-L2321 HydrophobicContact CE2-CD1 4.17Å; F2263-L2321 HydrophobicContact CE2-CD2 3.68Å; F2263-L2321 HydrophobicContact CE2-CG 3.94Å; F2263-L2321 HydrophobicContact CZ-CD2 4.43Å; F2263-L2333 HydrophobicContact CZ-CD2 4.39Å; F2263-Y2535 HydrophobicContact CD1-CD1 4.4Å; F2263-Y2535 HydrophobicContact CD1-CE1 4.27Å; F2263-Y2535 AromaticContact CE1-CD1 3.73Å; F2263-Y2535 HydrophobicContact CE1-CD1 3.91Å; F2263-Y2535 AromaticContact CE1-CE1 3.73Å; F2263-Y2535 HydrophobicContact CE1-CE1 3.73Å; F2263-Y2535 VanDerWaalsContact CE1-CE1 3.41Å; F2263-Y2535 HydrophobicContact CZ-CD1 4.35Å; F2263-Y2535 AromaticContact CZ-CE1 3.89Å; F2263-Y2535 HydrophobicContact CZ-CE1 3.89Å; F2263-W2540 HydrophobicContact CB-CH2 3.41Å; F2263-W2540 HydrophobicContact CB-CZ2 4.24Å; F2263-W2540 HydrophobicContact CB-CZ3 3.93Å; F2263-W2540 AromaticContact CD1-CH2 3.59Å; F2263-W2540 HydrophobicContact CD1-CH2 3.59Å; F2263-W2540 VanDerWaalsContact CD1-CH2 3.49Å; F2263-W2540 AromaticContact CD1-CZ3 3.73Å; F2263-W2540 HydrophobicContact CD1-CZ3 4.02Å; F2263-W2540 AromaticContact CD2-CH2 3.56Å; F2263-W2540 HydrophobicContact CD2-CH2 3.82Å; F2263-W2540 HydrophobicContact CD2-CZ2 4.33Å; F2263-W2540 AromaticContact CE1-CH2 3.97Å; F2263-W2540 HydrophobicContact CE1-CH2 3.97Å; F2263-W2540 HydrophobicContact CE1-CZ3 4.39Å; F2263-W2540 HydrophobicContact CE2-CH2 4.01Å; F2263-W2540 AromaticContact CG-CH2 3.34Å; F2263-W2540 HydrophobicContact CG-CH2 3.34Å; F2263-W2540 VanDerWaalsContact CG-CH2 3.43Å; F2263-W2540 HydrophobicContact CG-CZ2 4.22Å; F2263-W2540 AromaticContact CG-CZ3 3.79Å; F2263-W2540 HydrophobicContact CG-CZ3 4.08Å; F2263-W2540 HydrophobicContact CZ-CH2 4.2Å |
| 2264 | V | 65.9 | Low | 64.9 | Low | 36.6 Ų | 36.6 | 48.8 Ų | 48.8 | 22% | 0.222 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 178 | 172 | 0 | 0 | 0 | 0 | 111.2 | P2260 A2261 N2262 H2267 A2268 A2532 V2533 | P2260-V2264 WeakPolarHBondContact O-CG2 3.32Å; P2260-V2264 PolarHBondContact O-N 3.1Å; P2260-V2264 VanDerWaalsContact O-N 3.17Å; A2261-V2264 PolarHBondContact O-N 3.14Å; N2262-V2264 VanDerWaalsContact C-N 3.34Å; N2262-V2264 PolarHBondContact O-N 3.14Å; V2264-H2267 PolarHBondContact O-N 3.17Å; V2264-A2268 WeakPolarHBondContact O-CB 3.2Å; V2264-A2268 PolarHBondContact O-N 3.23Å; V2264-A2532 HydrophobicContact CB-CB 4.1Å; V2264-A2532 HydrophobicContact CG1-CB 3.43Å; V2264-A2532 VanDerWaalsContact CG2-C 3.49Å; V2264-A2532 HydrophobicContact CG2-CB 3.61Å; V2264-A2532 VanDerWaalsContact CG2-CB 3.48Å; V2264-A2532 WeakPolarHBondContact CG2-O 3.2Å; V2264-V2533 HydrophobicContact CG2-CG2 4.31Å |
| 2265 | Q | 71.3 | Confident | 67 | Low | 99.2 Ų | 99.2 | 44.5 Ų | 44.5 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 176.8 | -106.3 | 172.7 | 10 | 0 | 0 | 111.5 | A2261 N2262 F2263 H2267 A2268 R2269 E2674 | A2261-Q2265 WeakPolarHBondContact O-CG 3.44Å; A2261-Q2265 PolarHBondContact O-N 3.23Å; A2261-Q2265 VanDerWaalsContact O-N 3.12Å; N2262-Q2265 PolarHBondContact O-N 3.14Å; F2263-Q2265 VanDerWaalsContact C-N 3.31Å; F2263-Q2265 PolarHBondContact O-N 3.31Å; Q2265-H2267 PolarHBondContact O-N 3.21Å; Q2265-A2268 PolarHBondContact O-N 3.14Å; Q2265-R2269 WeakPolarHBondContact O-CB 3.29Å; Q2265-R2269 PolarHBondContact O-N 3.23Å; Q2265-E2674 WeakPolarHBondContact CG-OE1 3.46Å; Q2265-E2674 PolarHBondContact NE2-OE1 3.41Å |
| 2266 | L | 76.2 | Confident | 69.2 | Low | 2.4 Ų | 2.4 | 41.8 Ų | 41.8 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.1 | -70.3 | 169.1 | 0 | 0 | 0 | 112.3 | N2262 F2263 R2269 L2270 T2313 Q2316 M2317 V2320 | N2262-L2266 VanDerWaalsContact O-CB 3.31Å; N2262-L2266 WeakPolarHBondContact O-CB 3.38Å; N2262-L2266 WeakPolarHBondContact O-CD1 3.4Å; N2262-L2266 VanDerWaalsContact O-CG 3.29Å; N2262-L2266 WeakPolarHBondContact O-CG 3.29Å; N2262-L2266 PolarHBondContact O-N 3.2Å; N2262-L2266 VanDerWaalsContact OD1-CD1 3.29Å; N2262-L2266 WeakPolarHBondContact OD1-CD1 3.49Å; N2262-L2266 WeakPolarHBondContact OD1-CG 3.41Å; F2263-L2266 PolarHBondContact O-N 3.04Å; L2266-R2269 PolarHBondContact O-N 3.3Å; L2266-L2270 VanDerWaalsContact O-CB 3.27Å; L2266-L2270 WeakPolarHBondContact O-CB 3.4Å; L2266-L2270 PolarHBondContact O-N 3.15Å; L2266-T2313 HydrophobicContact CB-CG2 4.48Å; L2266-T2313 HydrophobicContact CD2-CG2 3.97Å; L2266-Q2316 HydrophobicContact CD1-CB 4.19Å; L2266-Q2316 HydrophobicContact CD2-CB 3.91Å; L2266-M2317 HydrophobicContact CB-CB 4.36Å; L2266-M2317 HydrophobicContact CB-CG 4.42Å; L2266-M2317 HydrophobicContact CD1-CB 4.42Å; L2266-V2320 HydrophobicContact CD1-CG2 4.2Å |
| 2267 | H | 75.4 | Confident | 71.6 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 12% | 0.12 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -47.5 | 176.1 | -177.6 | -78.6 | 0 | 0 | 0 | 111.4 | F2263 V2264 Q2265 R2269 L2270 G2271 M2317 L2375 T2379 | F2263-H2267 HydrophobicContact CE1-CB 4.46Å; F2263-H2267 VanDerWaalsContact O-CB 3.29Å; F2263-H2267 WeakPolarHBondContact O-CB 3.38Å; F2263-H2267 PolarHBondContact O-N 3.32Å; V2264-H2267 PolarHBondContact O-N 3.17Å; Q2265-H2267 PolarHBondContact O-N 3.21Å; H2267-R2269 VanDerWaalsContact C-N 3.34Å; H2267-R2269 PolarHBondContact O-N 3.19Å; H2267-L2270 PolarHBondContact O-N 3.08Å; H2267-G2271 PolarHBondContact O-N 3.31Å; H2267-M2317 HydrophobicContact CB-CE 4Å; H2267-L2375 PolarHBondContact NE2-O 3.25Å; H2267-T2379 PolarHBondContact CE1-OG1 3.24Å; H2267-T2379 VanDerWaalsContact CE1-OG1 3.31Å; H2267-T2379 PolarHBondContact NE2-OG1 3.28Å |
| 2268 | A | 71.1 | Confident | 73.9 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 25% | 0.248 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V2264 Q2265 G2271 H2272 | V2264-A2268 WeakPolarHBondContact O-CB 3.2Å; V2264-A2268 PolarHBondContact O-N 3.23Å; Q2265-A2268 PolarHBondContact O-N 3.14Å; A2268-G2271 PolarHBondContact O-N 3.43Å; A2268-H2272 PolarHBondContact O-N 3.23Å; A2268-H2272 VanDerWaalsContact O-N 3.08Å |
| 2269 | R | 79.5 | Confident | 75.5 | Confident | 74.2 Ų | 74.2 | 36.3 Ų | 36.3 | 28% | 0.28 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.8 | -47.8 | 177.3 | -171.9 | 169.8 | 76.4 | -171.4 | 4 | 111.3 | Q2265 L2266 H2267 G2271 H2272 Q2273 T2313 A2678 | Q2265-R2269 WeakPolarHBondContact O-CB 3.29Å; Q2265-R2269 PolarHBondContact O-N 3.23Å; L2266-R2269 PolarHBondContact O-N 3.3Å; H2267-R2269 VanDerWaalsContact C-N 3.34Å; H2267-R2269 PolarHBondContact O-N 3.19Å; R2269-G2271 VanDerWaalsContact C-N 3.31Å; R2269-G2271 PolarHBondContact O-N 3.15Å; R2269-H2272 WeakPolarHBondContact O-CA 3.49Å; R2269-H2272 WeakPolarHBondContact O-CB 3.24Å; R2269-H2272 PolarHBondContact O-N 2.95Å; R2269-H2272 VanDerWaalsContact O-N 3.1Å; R2269-Q2273 HydrophobicContact CG-CG 4.36Å; R2269-Q2273 VanDerWaalsContact O-CG 3.26Å; R2269-Q2273 WeakPolarHBondContact O-CG 3.43Å; R2269-Q2273 PolarHBondContact O-N 3.25Å; R2269-T2313 HydrophobicContact CB-CG2 4.27Å; R2269-T2313 HydrophobicContact CG-CG2 4.26Å; R2269-T2313 VanDerWaalsContact CZ-CG2 3.42Å; R2269-T2313 VanDerWaalsContact CZ-OG1 3.31Å; R2269-T2313 VanDerWaalsContact NE-CG2 3.27Å; R2269-T2313 PolarHBondContact NE-OG1 3.13Å; R2269-T2313 PolarHBondContact NH2-OG1 3.06Å; R2269-A2678 HydrophobicContact CG-CB 3.69Å |
| 2270 | L | 83.9 | Confident | 77.1 | Confident | 0.2 Ų | 0.2 | 34.8 Ų | 34.8 | 0% | 0.001 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.3 | -177.3 | 52.1 | 0 | 0 | 0 | 111.8 | L2266 H2267 H2272 Q2273 S2274 M2310 T2313 V2314 M2317 L2337 L2371 L2375 | L2266-L2270 VanDerWaalsContact O-CB 3.27Å; L2266-L2270 WeakPolarHBondContact O-CB 3.4Å; L2266-L2270 PolarHBondContact O-N 3.15Å; H2267-L2270 PolarHBondContact O-N 3.08Å; L2270-H2272 VanDerWaalsContact C-N 3.3Å; L2270-H2272 PolarHBondContact O-N 3.13Å; L2270-Q2273 PolarHBondContact O-N 2.96Å; L2270-S2274 VanDerWaalsContact O-CB 3.31Å; L2270-S2274 WeakPolarHBondContact O-CB 3.4Å; L2270-S2274 PolarHBondContact O-N 3.17Å; L2270-S2274 VanDerWaalsContact O-N 3.09Å; L2270-S2274 PolarHBondContact O-OG 3.17Å; L2270-M2310 HydrophobicContact CD1-CG 3.4Å; L2270-M2310 VanDerWaalsContact CD1-CG 3.44Å; L2270-M2310 HydrophobicContact CD1-SD 4.22Å; L2270-T2313 HydrophobicContact CB-CG2 4.01Å; L2270-V2314 HydrophobicContact CD1-CG2 3.69Å; L2270-V2314 HydrophobicContact CD2-CG2 3.66Å; L2270-V2314 HydrophobicContact CG-CG2 4.36Å; L2270-M2317 HydrophobicContact CD2-SD 3.88Å; L2270-L2337 HydrophobicContact CD2-CD2 3.94Å; L2270-L2371 HydrophobicContact CD1-CD2 4.33Å; L2270-L2375 HydrophobicContact CB-CD2 4.36Å; L2270-L2375 HydrophobicContact CD2-CD1 4.48Å; L2270-L2375 HydrophobicContact CD2-CD2 3.94Å; L2270-L2375 HydrophobicContact CD2-CG 4.41Å; L2270-L2375 HydrophobicContact CG-CD1 4.24Å; L2270-L2375 HydrophobicContact CG-CD2 4.13Å |
| 2271 | G | 81.5 | Confident | 78.8 | Confident | 11.4 Ų | 11.4 | 34.4 Ų | 34.4 | 12% | 0.118 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -29.8 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | H2267 A2268 R2269 S2274 R2275 | H2267-G2271 PolarHBondContact O-N 3.31Å; A2268-G2271 PolarHBondContact O-N 3.43Å; R2269-G2271 VanDerWaalsContact C-N 3.31Å; R2269-G2271 PolarHBondContact O-N 3.15Å; G2271-S2274 PolarHBondContact O-OG 3.27Å; G2271-S2274 VanDerWaalsContact O-OG 3.13Å; G2271-R2275 VanDerWaalsContact C-NH1 3.31Å; G2271-R2275 VanDerWaalsContact O-CD 3.23Å; G2271-R2275 WeakPolarHBondContact O-CD 3.38Å; G2271-R2275 VanDerWaalsContact O-CG 3.3Å; G2271-R2275 WeakPolarHBondContact O-CG 3.31Å; G2271-R2275 PolarHBondContact O-N 3.21Å; G2271-R2275 PolarHBondContact O-NE 3.26Å; G2271-R2275 PolarHBondContact O-NH1 3.17Å; G2271-R2275 VanDerWaalsContact O-NH1 3.08Å |
| 2272 | H | 80 | Confident | 80.3 | Confident | 69.4 Ų | 69.4 | 34.6 Ų | 34.6 | 32% | 0.321 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -75.7 | -49.8 | 172.8 | -170.5 | -61.5 | 0 | 0 | 0 | 111.4 | A2268 R2269 L2270 S2274 R2275 E2276 R2675 | A2268-H2272 PolarHBondContact O-N 3.23Å; A2268-H2272 VanDerWaalsContact O-N 3.08Å; R2269-H2272 WeakPolarHBondContact O-CA 3.49Å; R2269-H2272 WeakPolarHBondContact O-CB 3.24Å; R2269-H2272 PolarHBondContact O-N 2.95Å; R2269-H2272 VanDerWaalsContact O-N 3.1Å; L2270-H2272 VanDerWaalsContact C-N 3.3Å; L2270-H2272 PolarHBondContact O-N 3.13Å; H2272-S2274 VanDerWaalsContact C-N 3.28Å; H2272-S2274 PolarHBondContact O-N 3.22Å; H2272-R2275 WeakPolarHBondContact O-CA 3.4Å; H2272-R2275 WeakPolarHBondContact O-CB 3.32Å; H2272-R2275 PolarHBondContact O-N 3.13Å; H2272-E2276 WeakPolarHBondContact CE1-CG 3.3Å; H2272-E2276 IonicContact CE1-OE1 3.03Å; H2272-E2276 PolarHBondContact CE1-OE1 2.93Å; H2272-E2276 VanDerWaalsContact CE1-OE1 3.25Å; H2272-E2276 WeakPolarHBondContact ND1-CG 3.2Å; H2272-E2276 IonicContact NE2-OE1 3.41Å; H2272-E2276 PolarHBondContact O-N 3.1Å; H2272-R2675 WeakPolarHBondContact NE2-CD 3.46Å; H2272-R2675 VanDerWaalsContact NE2-CG 3.27Å; H2272-R2675 WeakPolarHBondContact NE2-CG 3.4Å |
| 2273 | Q | 85.8 | Confident | 81.1 | Confident | 8.4 Ų | 8.4 | 35.4 Ų | 35.4 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -37 | -178.7 | -67.8 | 173.3 | -36.9 | 0 | 0 | 112.4 | R2269 L2270 R2275 E2276 L2277 Q2306 Q2309 M2310 T2313 A2678 | R2269-Q2273 HydrophobicContact CG-CG 4.36Å; R2269-Q2273 VanDerWaalsContact O-CG 3.26Å; R2269-Q2273 WeakPolarHBondContact O-CG 3.43Å; R2269-Q2273 PolarHBondContact O-N 3.25Å; L2270-Q2273 PolarHBondContact O-N 2.96Å; Q2273-R2275 VanDerWaalsContact C-N 3.33Å; Q2273-R2275 PolarHBondContact O-N 3.23Å; Q2273-E2276 PolarHBondContact O-N 3.25Å; Q2273-L2277 VanDerWaalsContact O-CB 3.29Å; Q2273-L2277 WeakPolarHBondContact O-CB 3.35Å; Q2273-L2277 PolarHBondContact O-N 3.17Å; Q2273-Q2306 VanDerWaalsContact CG-NE2 3.33Å; Q2273-Q2309 PolarHBondContact NE2-O 2.88Å; Q2273-Q2309 PolarHBondContact OE1-O 3.43Å; Q2273-M2310 HydrophobicContact CB-CB 4.26Å; Q2273-M2310 HydrophobicContact CB-CG 4.29Å; Q2273-T2313 PolarHBondContact NE2-OG1 3.07Å; Q2273-T2313 VanDerWaalsContact NE2-OG1 3.16Å; Q2273-T2313 VanDerWaalsContact OE1-CB 3.3Å; Q2273-T2313 PolarHBondContact OE1-OG1 3.19Å; Q2273-A2678 PolarHBondContact NE2-O 3.33Å; Q2273-A2678 VanDerWaalsContact NE2-O 3.17Å |
| 2274 | S | 86.8 | Confident | 81.9 | Confident | 11.6 Ų | 11.6 | 35 Ų | 35 | 8% | 0.081 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -35.3 | 173.5 | 97.1 | 0 | 0 | 0 | 0 | 113.2 | L2270 G2271 H2272 S2278 | L2270-S2274 VanDerWaalsContact O-CB 3.31Å; L2270-S2274 WeakPolarHBondContact O-CB 3.4Å; L2270-S2274 PolarHBondContact O-N 3.17Å; L2270-S2274 VanDerWaalsContact O-N 3.09Å; L2270-S2274 PolarHBondContact O-OG 3.17Å; G2271-S2274 PolarHBondContact O-OG 3.27Å; G2271-S2274 VanDerWaalsContact O-OG 3.13Å; H2272-S2274 VanDerWaalsContact C-N 3.28Å; H2272-S2274 PolarHBondContact O-N 3.22Å; S2274-S2278 PolarHBondContact O-N 3.15Å; S2274-S2278 VanDerWaalsContact O-N 3.13Å |
| 2275 | R | 83.7 | Confident | 82.7 | Confident | 81.4 Ų | 81.4 | 34.4 Ų | 34.4 | 31% | 0.307 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -72.9 | -46.1 | 175.5 | -67.5 | 177.7 | -164.5 | 132.9 | -2.5 | 110.9 | G2271 H2272 Q2273 L2277 S2278 D2279 D2383 T2386 K3222 | G2271-R2275 VanDerWaalsContact C-NH1 3.31Å; G2271-R2275 VanDerWaalsContact O-CD 3.23Å; G2271-R2275 WeakPolarHBondContact O-CD 3.38Å; G2271-R2275 VanDerWaalsContact O-CG 3.3Å; G2271-R2275 WeakPolarHBondContact O-CG 3.31Å; G2271-R2275 PolarHBondContact O-N 3.21Å; G2271-R2275 PolarHBondContact O-NE 3.26Å; G2271-R2275 PolarHBondContact O-NH1 3.17Å; G2271-R2275 VanDerWaalsContact O-NH1 3.08Å; H2272-R2275 WeakPolarHBondContact O-CA 3.4Å; H2272-R2275 WeakPolarHBondContact O-CB 3.32Å; H2272-R2275 PolarHBondContact O-N 3.13Å; Q2273-R2275 VanDerWaalsContact C-N 3.33Å; Q2273-R2275 PolarHBondContact O-N 3.23Å; R2275-L2277 VanDerWaalsContact C-N 3.28Å; R2275-L2277 PolarHBondContact O-N 3.2Å; R2275-S2278 CarbonylContact O-C 3.6Å; R2275-S2278 WeakPolarHBondContact O-CA 3.26Å; R2275-S2278 VanDerWaalsContact O-CB 3.29Å; R2275-S2278 WeakPolarHBondContact O-CB 3.36Å; R2275-S2278 PolarHBondContact O-N 3.07Å; R2275-S2278 VanDerWaalsContact O-N 3.12Å; R2275-D2279 PolarHBondContact O-N 3.04Å; R2275-D2383 IonicContact CZ-OD1 3.26Å; R2275-D2383 IonicContact NH2-OD1 2.93Å; R2275-D2383 PolarHBondContact NH2-OD1 3.27Å; R2275-T2386 VanDerWaalsContact NH1-CG2 3.33Å; R2275-K3222 PolarHBondContact O-NZ 3.07Å |
| 2276 | E | 85.8 | Confident | 83.2 | Confident | 48.8 Ų | 48.8 | 33.6 Ų | 33.6 | 23% | 0.228 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -39.9 | 175.2 | -71.8 | -63.4 | 146.2 | 0 | 0 | 112 | H2272 Q2273 S2278 D2279 L2280 R2283 Q2306 L2679 | H2272-E2276 WeakPolarHBondContact CE1-CG 3.3Å; H2272-E2276 IonicContact CE1-OE1 3.03Å; H2272-E2276 PolarHBondContact CE1-OE1 2.93Å; H2272-E2276 VanDerWaalsContact CE1-OE1 3.25Å; H2272-E2276 WeakPolarHBondContact ND1-CG 3.2Å; H2272-E2276 IonicContact NE2-OE1 3.41Å; H2272-E2276 PolarHBondContact O-N 3.1Å; Q2273-E2276 PolarHBondContact O-N 3.25Å; E2276-S2278 VanDerWaalsContact C-N 3.32Å; E2276-S2278 PolarHBondContact O-N 3.07Å; E2276-D2279 WeakPolarHBondContact O-CB 3.4Å; E2276-D2279 PolarHBondContact O-N 3.13Å; E2276-D2279 VanDerWaalsContact O-N 3.14Å; E2276-L2280 VanDerWaalsContact O-CB 3.31Å; E2276-L2280 WeakPolarHBondContact O-CB 3.37Å; E2276-L2280 VanDerWaalsContact O-CG 3.3Å; E2276-L2280 WeakPolarHBondContact O-CG 3.22Å; E2276-L2280 PolarHBondContact O-N 3.27Å; E2276-R2283 IonicContact OE2-NH2 2.71Å; E2276-Q2306 HydrophobicContact CB-CG 4.13Å; E2276-L2679 HydrophobicContact CG-CD2 3.68Å |
| 2277 | L | 89.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -36.6 | 175.4 | -167.9 | 66.7 | 0 | 0 | 0 | 112.1 | Q2273 R2275 L2280 M2281 F2303 Q2306 F2307 M2310 I2344 L2368 | Q2273-L2277 VanDerWaalsContact O-CB 3.29Å; Q2273-L2277 WeakPolarHBondContact O-CB 3.35Å; Q2273-L2277 PolarHBondContact O-N 3.17Å; R2275-L2277 VanDerWaalsContact C-N 3.28Å; R2275-L2277 PolarHBondContact O-N 3.2Å; L2277-L2280 PolarHBondContact O-N 2.88Å; L2277-M2281 WeakPolarHBondContact O-CB 3.37Å; L2277-M2281 PolarHBondContact O-N 3.29Å; L2277-F2303 HydrophobicContact CD1-CD1 4.4Å; L2277-F2303 HydrophobicContact CD1-CD2 3.63Å; L2277-F2303 HydrophobicContact CD1-CE1 4.29Å; L2277-F2303 HydrophobicContact CD1-CE2 3.46Å; L2277-F2303 VanDerWaalsContact CD1-CE2 3.44Å; L2277-F2303 HydrophobicContact CD1-CG 4.14Å; L2277-F2303 HydrophobicContact CD1-CZ 3.86Å; L2277-F2303 WeakPolarHBondContact CD1-O 3.38Å; L2277-F2303 HydrophobicContact CD2-CZ 4.43Å; L2277-F2303 HydrophobicContact CG-CD2 4.42Å; L2277-F2303 HydrophobicContact CG-CE2 3.91Å; L2277-F2303 HydrophobicContact CG-CZ 4.24Å; L2277-Q2306 HydrophobicContact CB-CG 4.3Å; L2277-Q2306 HydrophobicContact CD1-CB 4.24Å; L2277-Q2306 HydrophobicContact CD1-CG 4.32Å; L2277-F2307 HydrophobicContact CD1-CB 4.14Å; L2277-F2307 HydrophobicContact CD2-CB 4.35Å; L2277-F2307 HydrophobicContact CD2-CD2 4.03Å; L2277-M2310 HydrophobicContact CD2-CE 3.71Å; L2277-M2310 HydrophobicContact CD2-SD 4.17Å; L2277-I2344 HydrophobicContact CD2-CG2 3.95Å; L2277-L2368 HydrophobicContact CB-CD2 4.45Å; L2277-L2368 HydrophobicContact CD2-CD2 4.16Å; L2277-L2368 HydrophobicContact CG-CD2 4.45Å |
| 2278 | S | 87.6 | Confident | 83.6 | Confident | 22.4 Ų | 22.4 | 36.3 Ų | 36.3 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 172.8 | -174 | 0 | 0 | 0 | 0 | 112.2 | S2274 R2275 E2276 L2280 M2281 I2282 | S2274-S2278 PolarHBondContact O-N 3.15Å; S2274-S2278 VanDerWaalsContact O-N 3.13Å; R2275-S2278 CarbonylContact O-C 3.6Å; R2275-S2278 WeakPolarHBondContact O-CA 3.26Å; R2275-S2278 VanDerWaalsContact O-CB 3.29Å; R2275-S2278 WeakPolarHBondContact O-CB 3.36Å; R2275-S2278 PolarHBondContact O-N 3.07Å; R2275-S2278 VanDerWaalsContact O-N 3.12Å; E2276-S2278 VanDerWaalsContact C-N 3.32Å; E2276-S2278 PolarHBondContact O-N 3.07Å; S2278-L2280 VanDerWaalsContact C-N 3.35Å; S2278-M2281 WeakPolarHBondContact O-CB 3.29Å; S2278-M2281 PolarHBondContact O-N 3.03Å; S2278-I2282 WeakPolarHBondContact O-CG1 3.39Å; S2278-I2282 PolarHBondContact O-N 3.17Å; S2278-I2282 VanDerWaalsContact O-N 3.15Å |
| 2279 | D | 85.6 | Confident | 83.9 | Confident | 62.4 Ų | 62.4 | 36.9 Ų | 36.9 | 33% | 0.334 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.6 | -37.9 | 177.6 | -85.2 | -6.2 | 0 | 0 | 0 | 111.5 | R2275 E2276 M2281 I2282 R2283 S3218 K3222 | R2275-D2279 PolarHBondContact O-N 3.04Å; E2276-D2279 WeakPolarHBondContact O-CB 3.4Å; E2276-D2279 PolarHBondContact O-N 3.13Å; E2276-D2279 VanDerWaalsContact O-N 3.14Å; D2279-M2281 VanDerWaalsContact C-N 3.3Å; D2279-M2281 PolarHBondContact O-N 3.19Å; D2279-I2282 PolarHBondContact O-N 3.1Å; D2279-I2282 VanDerWaalsContact O-N 3.1Å; D2279-R2283 WeakPolarHBondContact O-CG 3.3Å; D2279-R2283 PolarHBondContact O-N 3.23Å; D2279-R2283 VanDerWaalsContact O-N 3.13Å; D2279-R2283 PolarHBondContact O-NE 2.91Å; D2279-R2283 VanDerWaalsContact O-NE 3.14Å; D2279-R2283 IonicContact OD2-CZ 3.35Å; D2279-R2283 IonicContact OD2-NE 3.96Å; D2279-R2283 PolarHBondContact OD2-NE 3.03Å; D2279-R2283 IonicContact OD2-NH2 3.99Å; D2279-R2283 PolarHBondContact OD2-NH2 2.89Å; D2279-S3218 WeakPolarHBondContact CA-OG 3.46Å; D2279-S3218 WeakPolarHBondContact CB-OG 3.3Å; D2279-S3218 VanDerWaalsContact OD1-CB 3.32Å; D2279-S3218 WeakPolarHBondContact OD1-CB 3.24Å; D2279-S3218 PolarHBondContact OD1-OG 3.48Å; D2279-K3222 WeakPolarHBondContact OD1-CG 3.4Å; D2279-K3222 IonicContact OD1-NZ 3.57Å; D2279-K3222 PolarHBondContact OD1-NZ 3.14Å; D2279-K3222 IonicContact OD2-NZ 2.64Å; D2279-K3222 PolarHBondContact OD2-NZ 3.3Å |
| 2280 | L | 86.7 | Confident | 83.7 | Confident | 9.6 Ų | 9.6 | 36 Ų | 36 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 171.2 | -75.5 | 164 | 0 | 0 | 0 | 111.8 | E2276 L2277 S2278 I2282 R2283 V2284 I2299 F2303 Q2306 | E2276-L2280 VanDerWaalsContact O-CB 3.31Å; E2276-L2280 WeakPolarHBondContact O-CB 3.37Å; E2276-L2280 VanDerWaalsContact O-CG 3.3Å; E2276-L2280 WeakPolarHBondContact O-CG 3.22Å; E2276-L2280 PolarHBondContact O-N 3.27Å; L2277-L2280 PolarHBondContact O-N 2.88Å; S2278-L2280 VanDerWaalsContact C-N 3.35Å; L2280-I2282 VanDerWaalsContact C-N 3.32Å; L2280-I2282 PolarHBondContact O-N 3.27Å; L2280-R2283 VanDerWaalsContact CD2-CZ 3.46Å; L2280-R2283 VanDerWaalsContact CD2-NH2 3.31Å; L2280-R2283 PolarHBondContact O-N 3.03Å; L2280-V2284 WeakPolarHBondContact O-CB 3.31Å; L2280-V2284 VanDerWaalsContact O-CG2 3.26Å; L2280-V2284 WeakPolarHBondContact O-CG2 3.33Å; L2280-V2284 PolarHBondContact O-N 3.08Å; L2280-I2299 HydrophobicContact CD2-CG2 4.39Å; L2280-F2303 HydrophobicContact CB-CB 4.34Å; L2280-F2303 HydrophobicContact CB-CD2 3.89Å; L2280-F2303 HydrophobicContact CB-CG 4.44Å; L2280-Q2306 HydrophobicContact CD1-CB 3.73Å; L2280-Q2306 HydrophobicContact CD1-CG 4.02Å |
| 2281 | M | 88.4 | Confident | 83.1 | Confident | 4.2 Ų | 4.2 | 39.5 Ų | 39.5 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 173.2 | 179.5 | -165.9 | 77.4 | 0 | 0 | 111.4 | L2277 S2278 D2279 V2284 T2285 F2303 F2351 V2361 L2364 N2365 L2368 | L2277-M2281 WeakPolarHBondContact O-CB 3.37Å; L2277-M2281 PolarHBondContact O-N 3.29Å; S2278-M2281 WeakPolarHBondContact O-CB 3.29Å; S2278-M2281 PolarHBondContact O-N 3.03Å; D2279-M2281 VanDerWaalsContact C-N 3.3Å; D2279-M2281 PolarHBondContact O-N 3.19Å; M2281-V2284 PolarHBondContact O-N 3.35Å; M2281-T2285 WeakPolarHBondContact O-CB 3.36Å; M2281-T2285 PolarHBondContact O-N 2.99Å; M2281-T2285 VanDerWaalsContact O-N 3.08Å; M2281-T2285 PolarHBondContact O-OG1 2.84Å; M2281-F2303 HydrophobicContact CB-CE2 4.1Å; M2281-F2351 HydrophobicContact CB-CE1 4.41Å; M2281-F2351 HydrophobicContact CB-CZ 4.49Å; M2281-F2351 HydrophobicContact CG-CD1 4.45Å; M2281-F2351 HydrophobicContact CG-CE1 4.06Å; M2281-F2351 HydrophobicContact CG-CE2 4.16Å; M2281-F2351 HydrophobicContact CG-CZ 3.86Å; M2281-F2351 WeakPolarHBondContact O-CZ 3.31Å; M2281-V2361 HydrophobicContact CE-CG1 3.72Å; M2281-V2361 VanDerWaalsContact CE-CG1 3.48Å; M2281-V2361 HydrophobicContact CG-CG1 4.3Å; M2281-V2361 HydrophobicContact SD-CG1 3.97Å; M2281-L2364 HydrophobicContact CB-CD2 4.27Å; M2281-L2364 HydrophobicContact CG-CD2 3.72Å; M2281-L2364 HydrophobicContact CG-CG 4.44Å; M2281-L2364 HydrophobicContact SD-CB 3.96Å; M2281-L2364 HydrophobicContact SD-CD2 3.61Å; M2281-L2364 VanDerWaalsContact SD-CD2 3.58Å; M2281-L2364 HydrophobicContact SD-CG 3.7Å; M2281-N2365 HydrophobicContact CE-CB 4.2Å; M2281-N2365 HydrophobicContact SD-CB 4.47Å; M2281-L2368 HydrophobicContact SD-CD1 4.42Å |
| 2282 | I | 85.9 | Confident | 82.2 | Confident | 54.6 Ų | 54.6 | 47.8 Ų | 47.8 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 177.6 | -65.1 | 166.2 | 0 | 0 | 0 | 109.8 | S2278 D2279 L2280 V2284 T2285 E2286 K3114 | S2278-I2282 WeakPolarHBondContact O-CG1 3.39Å; S2278-I2282 PolarHBondContact O-N 3.17Å; S2278-I2282 VanDerWaalsContact O-N 3.15Å; D2279-I2282 PolarHBondContact O-N 3.1Å; D2279-I2282 VanDerWaalsContact O-N 3.1Å; L2280-I2282 VanDerWaalsContact C-N 3.32Å; L2280-I2282 PolarHBondContact O-N 3.27Å; I2282-V2284 PolarHBondContact O-N 3.32Å; I2282-T2285 CarbonylContact O-C 3.58Å; I2282-T2285 WeakPolarHBondContact O-CA 3.47Å; I2282-T2285 WeakPolarHBondContact O-CB 3.25Å; I2282-T2285 PolarHBondContact O-N 2.84Å; I2282-T2285 VanDerWaalsContact O-N 3.1Å; I2282-E2286 HydrophobicContact CG2-CG 4.34Å; I2282-E2286 WeakPolarHBondContact CG2-OE1 3.46Å; I2282-E2286 WeakPolarHBondContact O-CG 3.4Å; I2282-E2286 PolarHBondContact O-N 3.31Å; I2282-K3114 HydrophobicContact CD1-CD 4.24Å |
| 2283 | R | 83.9 | Confident | 81.3 | Confident | 81.8 Ų | 81.8 | 46.1 Ų | 46.1 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 178.3 | -73.8 | -173.6 | -80.1 | 170.1 | -10.1 | 113.5 | E2276 D2279 L2280 T2285 E2286 I2287 I2299 E3214 | E2276-R2283 IonicContact OE2-NH2 2.71Å; D2279-R2283 WeakPolarHBondContact O-CG 3.3Å; D2279-R2283 PolarHBondContact O-N 3.23Å; D2279-R2283 VanDerWaalsContact O-N 3.13Å; D2279-R2283 PolarHBondContact O-NE 2.91Å; D2279-R2283 VanDerWaalsContact O-NE 3.14Å; D2279-R2283 IonicContact OD2-CZ 3.35Å; D2279-R2283 IonicContact OD2-NE 3.96Å; D2279-R2283 PolarHBondContact OD2-NE 3.03Å; D2279-R2283 IonicContact OD2-NH2 3.99Å; D2279-R2283 PolarHBondContact OD2-NH2 2.89Å; L2280-R2283 VanDerWaalsContact CD2-CZ 3.46Å; L2280-R2283 VanDerWaalsContact CD2-NH2 3.31Å; L2280-R2283 PolarHBondContact O-N 3.03Å; R2283-T2285 VanDerWaalsContact C-N 3.32Å; R2283-T2285 PolarHBondContact O-N 2.99Å; R2283-E2286 PolarHBondContact O-N 3.06Å; R2283-I2287 WeakPolarHBondContact O-CB 3.41Å; R2283-I2287 VanDerWaalsContact O-CG1 3.26Å; R2283-I2287 WeakPolarHBondContact O-CG1 3.35Å; R2283-I2287 PolarHBondContact O-N 3.12Å; R2283-I2299 HydrophobicContact CB-CG2 4.37Å; R2283-E3214 VanDerWaalsContact CD-OE1 3.25Å; R2283-E3214 WeakPolarHBondContact CD-OE1 3.21Å; R2283-E3214 WeakPolarHBondContact CD-OE2 3.42Å; R2283-E3214 HydrophobicContact CG-CG 4Å; R2283-E3214 WeakPolarHBondContact CG-OE1 3.23Å; R2283-E3214 IonicContact CZ-OE2 2.75Å; R2283-E3214 IonicContact NE-OE2 3.43Å; R2283-E3214 IonicContact NH1-OE2 3.76Å; R2283-E3214 PolarHBondContact NH1-OE2 3.4Å |
| 2284 | V | 84.7 | Confident | 80 | Confident | 1.4 Ų | 1.4 | 52.8 Ų | 52.8 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | L2280 M2281 I2282 E2286 I2287 Y2288 I2299 F2303 F2351 P2355 | L2280-V2284 WeakPolarHBondContact O-CB 3.31Å; L2280-V2284 VanDerWaalsContact O-CG2 3.26Å; L2280-V2284 WeakPolarHBondContact O-CG2 3.33Å; L2280-V2284 PolarHBondContact O-N 3.08Å; M2281-V2284 PolarHBondContact O-N 3.35Å; I2282-V2284 PolarHBondContact O-N 3.32Å; V2284-E2286 PolarHBondContact O-N 3.25Å; V2284-I2287 PolarHBondContact O-N 2.87Å; V2284-Y2288 HydrophobicContact CG1-CD2 3.83Å; V2284-Y2288 HydrophobicContact CG1-CE2 3.93Å; V2284-Y2288 VanDerWaalsContact O-CB 3.32Å; V2284-Y2288 WeakPolarHBondContact O-CB 3.46Å; V2284-Y2288 VanDerWaalsContact O-CD2 3.3Å; V2284-Y2288 WeakPolarHBondContact O-CD2 3.43Å; V2284-Y2288 PolarHBondContact O-N 3.15Å; V2284-I2299 HydrophobicContact CB-CG2 4.3Å; V2284-I2299 HydrophobicContact CG2-CB 4.38Å; V2284-I2299 HydrophobicContact CG2-CG2 3.51Å; V2284-F2303 HydrophobicContact CG2-CB 4.21Å; V2284-F2303 HydrophobicContact CG2-CD2 4.42Å; V2284-F2303 HydrophobicContact CG2-CG 4.42Å; V2284-F2351 HydrophobicContact CB-CE1 4.01Å; V2284-F2351 HydrophobicContact CB-CZ 3.8Å; V2284-F2351 HydrophobicContact CG1-CE1 3.74Å; V2284-F2351 HydrophobicContact CG1-CZ 3.56Å; V2284-F2351 HydrophobicContact CG2-CE1 4.41Å; V2284-P2355 HydrophobicContact CG1-CB 4.25Å; V2284-P2355 HydrophobicContact CG1-CG 4.35Å |
| 2285 | T | 84.2 | Confident | 78.8 | Confident | 23.2 Ų | 23.2 | 59.1 Ų | 59.1 | 14% | 0.142 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 179.3 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | M2281 I2282 R2283 A2289 F2351 P2355 V2361 L3113 | M2281-T2285 WeakPolarHBondContact O-CB 3.36Å; M2281-T2285 PolarHBondContact O-N 2.99Å; M2281-T2285 VanDerWaalsContact O-N 3.08Å; M2281-T2285 PolarHBondContact O-OG1 2.84Å; I2282-T2285 CarbonylContact O-C 3.58Å; I2282-T2285 WeakPolarHBondContact O-CA 3.47Å; I2282-T2285 WeakPolarHBondContact O-CB 3.25Å; I2282-T2285 PolarHBondContact O-N 2.84Å; I2282-T2285 VanDerWaalsContact O-N 3.1Å; R2283-T2285 VanDerWaalsContact C-N 3.32Å; R2283-T2285 PolarHBondContact O-N 2.99Å; T2285-A2289 VanDerWaalsContact O-CB 3.32Å; T2285-A2289 WeakPolarHBondContact O-CB 3.36Å; T2285-A2289 PolarHBondContact O-N 3.16Å; T2285-A2289 VanDerWaalsContact O-N 3.1Å; T2285-F2351 WeakPolarHBondContact OG1-CE2 3.39Å; T2285-P2355 PolarHBondContact OG1-O 3.44Å; T2285-V2361 HydrophobicContact CG2-CG2 4.38Å; T2285-L3113 HydrophobicContact CG2-CD2 4.02Å |
| 2286 | E | 80.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 178.8 | -72.5 | 179.2 | 169.2 | 0 | 0 | 112.2 | I2282 R2283 V2284 A2289 A2290 L3113 S3117 | I2282-E2286 HydrophobicContact CG2-CG 4.34Å; I2282-E2286 WeakPolarHBondContact CG2-OE1 3.46Å; I2282-E2286 WeakPolarHBondContact O-CG 3.4Å; I2282-E2286 PolarHBondContact O-N 3.31Å; R2283-E2286 PolarHBondContact O-N 3.06Å; V2284-E2286 PolarHBondContact O-N 3.25Å; E2286-A2289 PolarHBondContact O-N 3.14Å; E2286-A2290 WeakPolarHBondContact O-CB 3.33Å; E2286-A2290 PolarHBondContact O-N 3.2Å; E2286-L3113 HydrophobicContact CG-CD2 4.07Å; E2286-S3117 PolarHBondContact OE2-OG 2.9Å |
| 2287 | I | 80.2 | Confident | 77.6 | Confident | 45.4 Ų | 45.4 | 55.9 Ų | 55.9 | 23% | 0.233 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.5 | -38.1 | -177.5 | -64.6 | 169.2 | 0 | 0 | 0 | 111.2 | R2283 V2284 A2289 A2290 N2291 I2299 E3214 | R2283-I2287 WeakPolarHBondContact O-CB 3.41Å; R2283-I2287 VanDerWaalsContact O-CG1 3.26Å; R2283-I2287 WeakPolarHBondContact O-CG1 3.35Å; R2283-I2287 PolarHBondContact O-N 3.12Å; V2284-I2287 PolarHBondContact O-N 2.87Å; I2287-A2289 VanDerWaalsContact C-N 3.28Å; I2287-A2289 PolarHBondContact O-N 3.28Å; I2287-A2290 PolarHBondContact O-N 3.07Å; I2287-N2291 WeakPolarHBondContact O-CB 3.41Å; I2287-N2291 PolarHBondContact O-N 3.2Å; I2287-I2299 HydrophobicContact CB-CD1 4.26Å; I2287-I2299 HydrophobicContact CD1-CB 4.48Å; I2287-I2299 HydrophobicContact CD1-CD1 3.45Å; I2287-I2299 HydrophobicContact CD1-CG1 3.65Å; I2287-I2299 HydrophobicContact CD1-CG2 4.48Å; I2287-I2299 HydrophobicContact CG1-CD1 4.3Å; I2287-I2299 HydrophobicContact CG2-CD1 3.98Å; I2287-E3214 WeakPolarHBondContact CD1-OE1 3.34Å |
| 2288 | Y | 80.2 | Confident | 77 | Confident | 39.2 Ų | 39.2 | 63.4 Ų | 63.4 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 170.7 | -101.4 | -90.3 | 0 | 0 | 0 | 112 | V2284 A2290 Q2292 C2296 I2300 P2355 | V2284-Y2288 HydrophobicContact CG1-CD2 3.83Å; V2284-Y2288 HydrophobicContact CG1-CE2 3.93Å; V2284-Y2288 VanDerWaalsContact O-CB 3.32Å; V2284-Y2288 WeakPolarHBondContact O-CB 3.46Å; V2284-Y2288 VanDerWaalsContact O-CD2 3.3Å; V2284-Y2288 WeakPolarHBondContact O-CD2 3.43Å; V2284-Y2288 PolarHBondContact O-N 3.15Å; Y2288-A2290 VanDerWaalsContact C-N 3.32Å; Y2288-Q2292 WeakPolarHBondContact O-CA 3.45Å; Y2288-Q2292 PolarHBondContact O-N 3.1Å; Y2288-Q2292 VanDerWaalsContact O-N 3.12Å; Y2288-C2296 HydrophobicContact CD2-CB 3.96Å; Y2288-C2296 WeakPolarHBondContact CD2-SG 3.47Å; Y2288-C2296 HydrophobicContact CE1-CB 4.47Å; Y2288-C2296 HydrophobicContact CE2-CB 3.52Å; Y2288-C2296 VanDerWaalsContact CE2-CB 3.46Å; Y2288-I2300 HydrophobicContact CE2-CD1 3.84Å; Y2288-I2300 HydrophobicContact CE2-CG1 4.07Å; Y2288-I2300 VanDerWaalsContact OH-CD1 3.29Å; Y2288-I2300 WeakPolarHBondContact OH-CD1 3.3Å; Y2288-P2355 HydrophobicContact CD1-CB 4.3Å; Y2288-P2355 HydrophobicContact CD1-CG 4Å; Y2288-P2355 HydrophobicContact CD2-CB 3.96Å; Y2288-P2355 HydrophobicContact CD2-CG 3.83Å; Y2288-P2355 HydrophobicContact CE1-CG 3.96Å; Y2288-P2355 HydrophobicContact CE2-CB 4.34Å; Y2288-P2355 HydrophobicContact CE2-CG 3.77Å; Y2288-P2355 HydrophobicContact CG-CB 3.89Å; Y2288-P2355 HydrophobicContact CG-CG 3.93Å |
| 2289 | A | 77.6 | Confident | 76.6 | Confident | 44.2 Ų | 44.2 | 63.9 Ų | 63.9 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.5 | -35 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | T2285 E2286 I2287 L2356 M3097 | T2285-A2289 VanDerWaalsContact O-CB 3.32Å; T2285-A2289 WeakPolarHBondContact O-CB 3.36Å; T2285-A2289 PolarHBondContact O-N 3.16Å; T2285-A2289 VanDerWaalsContact O-N 3.1Å; E2286-A2289 PolarHBondContact O-N 3.14Å; I2287-A2289 VanDerWaalsContact C-N 3.28Å; I2287-A2289 PolarHBondContact O-N 3.28Å; A2289-L2356 HydrophobicContact CB-CD2 3.84Å; A2289-M3097 HydrophobicContact CB-SD 4.05Å |
| 2290 | A | 75 | Confident | 76.5 | Confident | 54.4 Ų | 54.4 | 61.3 Ų | 61.3 | 45% | 0.45 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -74.3 | -43.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | E2286 I2287 Y2288 | E2286-A2290 WeakPolarHBondContact O-CB 3.33Å; E2286-A2290 PolarHBondContact O-N 3.2Å; I2287-A2290 PolarHBondContact O-N 3.07Å; Y2288-A2290 VanDerWaalsContact C-N 3.32Å |
| 2291 | N | 71 | Confident | 76.2 | Confident | 73.4 Ų | 73.4 | 61.9 Ų | 61.9 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -103.5 | 4.2 | -168.9 | -65.1 | -12.4 | 0 | 0 | 0 | 114.7 | I2287 G2293 E2294 | I2287-N2291 WeakPolarHBondContact O-CB 3.41Å; I2287-N2291 PolarHBondContact O-N 3.2Å; N2291-G2293 PolarHBondContact O-N 3.19Å; N2291-E2294 VanDerWaalsContact CB-O 3.24Å; N2291-E2294 WeakPolarHBondContact CB-O 3.39Å; N2291-E2294 PolarHBondContact ND2-O 3.37Å; N2291-E2294 PolarHBondContact O-N 3.03Å; N2291-E2294 VanDerWaalsContact O-N 3.12Å |
| 2292 | Q | 62.9 | Low | 76.1 | Confident | 186 Ų | 186 | 64.2 Ų | 64.2 | 87% | 0.869 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 24.9 | -177.3 | -55.6 | -175.7 | 18.7 | 0 | 0 | 114.3 | Y2288 | Y2288-Q2292 WeakPolarHBondContact O-CA 3.45Å; Y2288-Q2292 PolarHBondContact O-N 3.1Å; Y2288-Q2292 VanDerWaalsContact O-N 3.12Å |
| 2293 | G | 60.3 | Low | 76.2 | Confident | 33.4 Ų | 33.4 | 61.6 Ų | 61.6 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -6.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | N2291 | N2291-G2293 PolarHBondContact O-N 3.19Š|
| 2294 | E | 59 | Low | 76.3 | Confident | 148.4 Ų | 148.4 | 57.8 Ų | 57.8 | 69% | 0.693 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 144.5 | 174.2 | -65.7 | -172.8 | 165.3 | 0 | 0 | 111.6 | N2291 C2296 | N2291-E2294 VanDerWaalsContact CB-O 3.24Å; N2291-E2294 WeakPolarHBondContact CB-O 3.39Å; N2291-E2294 PolarHBondContact ND2-O 3.37Å; N2291-E2294 PolarHBondContact O-N 3.03Å; N2291-E2294 VanDerWaalsContact O-N 3.12Å; E2294-C2296 VanDerWaalsContact C-N 3.3Å; E2294-C2296 PolarHBondContact O-N 3.07Å; E2294-C2296 VanDerWaalsContact O-N 3.11Å; E2294-C2296 PolarHBondContact O-SG 3.36Å; E2294-C2296 VanDerWaalsContact O-SG 3.34Å |
| 2295 | N | 62 | Low | 76.4 | Confident | 145.4 Ų | 145.4 | 62.5 Ų | 62.5 | 78% | 0.778 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.9 | 178 | -61.6 | -26.1 | 0 | 0 | 0 | 116.9 | ||
| 2296 | C | 71.4 | Confident | 76.7 | Confident | 5.8 Ų | 5.8 | 62.4 Ų | 62.4 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | trans | -85.9 | -5.2 | 179.9 | -63.2 | 0 | 0 | 0 | 0 | 114.9 | Y2288 E2294 E2298 I2299 I2300 | Y2288-C2296 HydrophobicContact CD2-CB 3.96Å; Y2288-C2296 WeakPolarHBondContact CD2-SG 3.47Å; Y2288-C2296 HydrophobicContact CE1-CB 4.47Å; Y2288-C2296 HydrophobicContact CE2-CB 3.52Å; Y2288-C2296 VanDerWaalsContact CE2-CB 3.46Å; E2294-C2296 VanDerWaalsContact C-N 3.3Å; E2294-C2296 PolarHBondContact O-N 3.07Å; E2294-C2296 VanDerWaalsContact O-N 3.11Å; E2294-C2296 PolarHBondContact O-SG 3.36Å; E2294-C2296 VanDerWaalsContact O-SG 3.34Å; C2296-E2298 PolarHBondContact O-N 3.15Å; C2296-I2299 PolarHBondContact O-N 3.31Å; C2296-I2300 HydrophobicContact CB-CD1 3.95Å; C2296-I2300 HydrophobicContact CB-CG1 4.48Å; C2296-I2300 WeakPolarHBondContact O-CD1 3.38Å; C2296-I2300 VanDerWaalsContact O-CG1 3.26Å; C2296-I2300 WeakPolarHBondContact O-CG1 3.35Å; C2296-I2300 PolarHBondContact O-N 3.23Å; C2296-I2300 VanDerWaalsContact O-N 3.13Å | ||
| 2297 | A | 72.5 | Confident | 77.2 | Confident | 56.8 Ų | 56.8 | 58.5 Ų | 58.5 | 47% | 0.469 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I2299 I2300 S2301 | A2297-I2299 VanDerWaalsContact C-N 3.34Å; A2297-I2299 PolarHBondContact O-N 3.02Å; A2297-I2300 PolarHBondContact O-N 3.08Å; A2297-S2301 VanDerWaalsContact O-CB 3.32Å; A2297-S2301 WeakPolarHBondContact O-CB 3.25Å; A2297-S2301 PolarHBondContact O-N 3.01Å |
| 2298 | E | 76.4 | Confident | 77.6 | Confident | 156.4 Ų | 156.4 | 58.9 Ų | 58.9 | 73% | 0.731 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | -177.4 | -80.3 | 178.5 | -174.9 | 0 | 0 | 112.6 | C2296 S2301 S2302 | C2296-E2298 PolarHBondContact O-N 3.15Å; E2298-S2301 PolarHBondContact O-N 3.17Å; E2298-S2302 WeakPolarHBondContact O-CB 3.4Å; E2298-S2302 PolarHBondContact O-N 3.24Å; E2298-S2302 PolarHBondContact O-OG 3.09Å |
| 2299 | I | 80.5 | Confident | 77.9 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.2 | -36.7 | 179.5 | -58.2 | 104 | 0 | 0 | 0 | 110.8 | L2280 R2283 V2284 I2287 C2296 A2297 S2301 S2302 F2303 | L2280-I2299 HydrophobicContact CD2-CG2 4.39Å; R2283-I2299 HydrophobicContact CB-CG2 4.37Å; V2284-I2299 HydrophobicContact CB-CG2 4.3Å; V2284-I2299 HydrophobicContact CG2-CB 4.38Å; V2284-I2299 HydrophobicContact CG2-CG2 3.51Å; I2287-I2299 HydrophobicContact CB-CD1 4.26Å; I2287-I2299 HydrophobicContact CD1-CB 4.48Å; I2287-I2299 HydrophobicContact CD1-CD1 3.45Å; I2287-I2299 HydrophobicContact CD1-CG1 3.65Å; I2287-I2299 HydrophobicContact CD1-CG2 4.48Å; I2287-I2299 HydrophobicContact CG1-CD1 4.3Å; I2287-I2299 HydrophobicContact CG2-CD1 3.98Å; C2296-I2299 PolarHBondContact O-N 3.31Å; A2297-I2299 VanDerWaalsContact C-N 3.34Å; A2297-I2299 PolarHBondContact O-N 3.02Å; I2299-S2301 VanDerWaalsContact C-N 3.33Å; I2299-S2301 PolarHBondContact O-N 3.24Å; I2299-S2302 WeakPolarHBondContact O-CB 3.16Å; I2299-S2302 PolarHBondContact O-N 3.38Å; I2299-F2303 WeakPolarHBondContact O-CB 3.33Å; I2299-F2303 PolarHBondContact O-N 3.31Å |
| 2300 | I | 83.4 | Confident | 78.5 | Confident | 9.6 Ų | 9.6 | 58.2 Ų | 58.2 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 172 | -65.7 | 163.1 | 0 | 0 | 0 | 110.2 | L2223 H2226 Y2288 C2296 A2297 S2302 F2303 V2304 L2352 | L2223-I2300 HydrophobicContact CD1-CD1 4.26Å; L2223-I2300 HydrophobicContact CD1-CG2 4.37Å; H2226-I2300 HydrophobicContact CB-CG2 4.28Å; Y2288-I2300 HydrophobicContact CE2-CD1 3.84Å; Y2288-I2300 HydrophobicContact CE2-CG1 4.07Å; Y2288-I2300 VanDerWaalsContact OH-CD1 3.29Å; Y2288-I2300 WeakPolarHBondContact OH-CD1 3.3Å; C2296-I2300 HydrophobicContact CB-CD1 3.95Å; C2296-I2300 HydrophobicContact CB-CG1 4.48Å; C2296-I2300 WeakPolarHBondContact O-CD1 3.38Å; C2296-I2300 VanDerWaalsContact O-CG1 3.26Å; C2296-I2300 WeakPolarHBondContact O-CG1 3.35Å; C2296-I2300 PolarHBondContact O-N 3.23Å; C2296-I2300 VanDerWaalsContact O-N 3.13Å; A2297-I2300 PolarHBondContact O-N 3.08Å; I2300-S2302 VanDerWaalsContact C-N 3.34Å; I2300-S2302 PolarHBondContact O-N 3.17Å; I2300-F2303 WeakPolarHBondContact O-CB 3.35Å; I2300-F2303 PolarHBondContact O-N 2.92Å; I2300-V2304 HydrophobicContact CG2-CG2 4.29Å; I2300-V2304 WeakPolarHBondContact O-CB 3.45Å; I2300-V2304 WeakPolarHBondContact O-CG2 3.39Å; I2300-V2304 PolarHBondContact O-N 3.05Å; I2300-L2352 HydrophobicContact CG1-CD2 4.32Å; I2300-L2352 HydrophobicContact CG2-CD1 4.43Å; I2300-L2352 HydrophobicContact CG2-CD2 3.96Å |
| 2301 | S | 80.8 | Confident | 79.1 | Confident | 20.4 Ų | 20.4 | 55.9 Ų | 55.9 | 14% | 0.143 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 176.3 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | T2218 A2297 E2298 I2299 F2303 V2304 Q2305 | T2218-S2301 WeakPolarHBondContact CB-OG 3.31Å; T2218-S2301 VanDerWaalsContact CG2-OG 3.31Å; T2218-S2301 WeakPolarHBondContact CG2-OG 3.27Å; T2218-S2301 PolarHBondContact O-OG 3.47Å; A2297-S2301 VanDerWaalsContact O-CB 3.32Å; A2297-S2301 WeakPolarHBondContact O-CB 3.25Å; A2297-S2301 PolarHBondContact O-N 3.01Å; E2298-S2301 PolarHBondContact O-N 3.17Å; I2299-S2301 VanDerWaalsContact C-N 3.33Å; I2299-S2301 PolarHBondContact O-N 3.24Å; S2301-F2303 PolarHBondContact O-N 3.24Å; S2301-V2304 PolarHBondContact O-N 3.36Å; S2301-Q2305 WeakPolarHBondContact O-CB 3.45Å; S2301-Q2305 VanDerWaalsContact O-CG 3.24Å; S2301-Q2305 WeakPolarHBondContact O-CG 3.39Å; S2301-Q2305 PolarHBondContact O-N 3.13Å |
| 2302 | S | 84.4 | Confident | 79.8 | Confident | 53.8 Ų | 53.8 | 57.5 Ų | 57.5 | 38% | 0.376 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 175.2 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | E2298 I2299 I2300 Q2306 | E2298-S2302 WeakPolarHBondContact O-CB 3.4Å; E2298-S2302 PolarHBondContact O-N 3.24Å; E2298-S2302 PolarHBondContact O-OG 3.09Å; I2299-S2302 WeakPolarHBondContact O-CB 3.16Å; I2299-S2302 PolarHBondContact O-N 3.38Å; I2300-S2302 VanDerWaalsContact C-N 3.34Å; I2300-S2302 PolarHBondContact O-N 3.17Å; S2302-Q2306 WeakPolarHBondContact O-CB 3.34Å; S2302-Q2306 PolarHBondContact O-N 3.22Å |
| 2303 | F | 88.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 176 | 176.8 | -89 | 0 | 0 | 0 | 111.9 | L2277 L2280 M2281 V2284 I2299 I2300 S2301 Q2306 F2307 S2348 F2351 L2352 L2364 | L2277-F2303 HydrophobicContact CD1-CD1 4.4Å; L2277-F2303 HydrophobicContact CD1-CD2 3.63Å; L2277-F2303 HydrophobicContact CD1-CE1 4.29Å; L2277-F2303 HydrophobicContact CD1-CE2 3.46Å; L2277-F2303 VanDerWaalsContact CD1-CE2 3.44Å; L2277-F2303 HydrophobicContact CD1-CG 4.14Å; L2277-F2303 HydrophobicContact CD1-CZ 3.86Å; L2277-F2303 WeakPolarHBondContact CD1-O 3.38Å; L2277-F2303 HydrophobicContact CD2-CZ 4.43Å; L2277-F2303 HydrophobicContact CG-CD2 4.42Å; L2277-F2303 HydrophobicContact CG-CE2 3.91Å; L2277-F2303 HydrophobicContact CG-CZ 4.24Å; L2280-F2303 HydrophobicContact CB-CB 4.34Å; L2280-F2303 HydrophobicContact CB-CD2 3.89Å; L2280-F2303 HydrophobicContact CB-CG 4.44Å; M2281-F2303 HydrophobicContact CB-CE2 4.1Å; V2284-F2303 HydrophobicContact CG2-CB 4.21Å; V2284-F2303 HydrophobicContact CG2-CD2 4.42Å; V2284-F2303 HydrophobicContact CG2-CG 4.42Å; I2299-F2303 WeakPolarHBondContact O-CB 3.33Å; I2299-F2303 PolarHBondContact O-N 3.31Å; I2300-F2303 WeakPolarHBondContact O-CB 3.35Å; I2300-F2303 PolarHBondContact O-N 2.92Å; S2301-F2303 PolarHBondContact O-N 3.24Å; F2303-Q2306 PolarHBondContact O-N 3.09Å; F2303-F2307 PolarHBondContact O-N 3.11Å; F2303-F2307 VanDerWaalsContact O-N 3.1Å; F2303-S2348 WeakPolarHBondContact CZ-OG 3.47Å; F2303-F2351 HydrophobicContact CE1-CD1 4.36Å; F2303-F2351 HydrophobicContact CE2-CD1 4.38Å; F2303-F2351 HydrophobicContact CE2-CE1 4.29Å; F2303-F2351 AromaticContact CZ-CD1 3.82Å; F2303-F2351 HydrophobicContact CZ-CD1 4.07Å; F2303-F2351 HydrophobicContact CZ-CE1 4.32Å; F2303-L2352 HydrophobicContact CD1-CD1 4.2Å; F2303-L2352 HydrophobicContact CD1-CD2 4.02Å; F2303-L2352 HydrophobicContact CD1-CG 4.31Å; F2303-L2352 HydrophobicContact CE1-CD1 4.26Å; F2303-L2352 HydrophobicContact CE1-CD2 4.3Å; F2303-L2352 HydrophobicContact CE1-CG 4.21Å; F2303-L2364 HydrophobicContact CE2-CD2 4.21Å; F2303-L2364 HydrophobicContact CZ-CD2 3.83Å |
| 2304 | V | 86.8 | Confident | 82.1 | Confident | 2.2 Ų | 2.2 | 47.1 Ų | 47.1 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -46.6 | 178.9 | 174 | 0 | 0 | 0 | 0 | 110.8 | H2226 I2230 I2300 S2301 Q2306 F2307 L2308 L2352 | H2226-V2304 HydrophobicContact CB-CG1 4.45Å; H2226-V2304 HydrophobicContact CB-CG2 3.68Å; I2230-V2304 HydrophobicContact CD1-CG2 4.06Å; I2230-V2304 HydrophobicContact CG1-CG1 4.22Å; I2230-V2304 HydrophobicContact CG1-CG2 4.47Å; I2300-V2304 HydrophobicContact CG2-CG2 4.29Å; I2300-V2304 WeakPolarHBondContact O-CB 3.45Å; I2300-V2304 WeakPolarHBondContact O-CG2 3.39Å; I2300-V2304 PolarHBondContact O-N 3.05Å; S2301-V2304 PolarHBondContact O-N 3.36Å; V2304-Q2306 VanDerWaalsContact C-N 3.3Å; V2304-Q2306 PolarHBondContact O-N 3.16Å; V2304-F2307 WeakPolarHBondContact O-CB 3.4Å; V2304-F2307 PolarHBondContact O-N 3.12Å; V2304-F2307 VanDerWaalsContact O-N 3.14Å; V2304-L2308 HydrophobicContact CG1-CD1 4.23Å; V2304-L2308 HydrophobicContact CG1-CG 4.4Å; V2304-L2308 WeakPolarHBondContact O-CG 3.25Å; V2304-L2308 PolarHBondContact O-N 3.16Å; V2304-L2352 HydrophobicContact CG2-CD1 3.9Å |
| 2305 | Q | 86.2 | Confident | 83.4 | Confident | 99.8 Ų | 99.8 | 43.7 Ų | 43.7 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58 | -42.5 | 176.1 | -77.9 | -159.3 | -11.5 | 0 | 0 | 111.8 | S2301 F2307 L2308 Q2309 | S2301-Q2305 WeakPolarHBondContact O-CB 3.45Å; S2301-Q2305 VanDerWaalsContact O-CG 3.24Å; S2301-Q2305 WeakPolarHBondContact O-CG 3.39Å; S2301-Q2305 PolarHBondContact O-N 3.13Å; Q2305-F2307 VanDerWaalsContact C-N 3.32Å; Q2305-F2307 PolarHBondContact O-N 3Å; Q2305-L2308 PolarHBondContact O-N 3.06Å; Q2305-Q2309 WeakPolarHBondContact O-CG 3.38Å; Q2305-Q2309 PolarHBondContact O-N 3.2Å |
| 2306 | Q | 89.5 | Confident | 84.3 | Confident | 21.2 Ų | 21.2 | 39.8 Ų | 39.8 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 177.2 | -171.2 | 59.2 | 79.1 | 0 | 0 | 112.1 | Q2273 E2276 L2277 L2280 S2302 F2303 V2304 M2310 | Q2273-Q2306 VanDerWaalsContact CG-NE2 3.33Å; E2276-Q2306 HydrophobicContact CB-CG 4.13Å; L2277-Q2306 HydrophobicContact CB-CG 4.3Å; L2277-Q2306 HydrophobicContact CD1-CB 4.24Å; L2277-Q2306 HydrophobicContact CD1-CG 4.32Å; L2280-Q2306 HydrophobicContact CD1-CB 3.73Å; L2280-Q2306 HydrophobicContact CD1-CG 4.02Å; S2302-Q2306 WeakPolarHBondContact O-CB 3.34Å; S2302-Q2306 PolarHBondContact O-N 3.22Å; F2303-Q2306 PolarHBondContact O-N 3.09Å; V2304-Q2306 VanDerWaalsContact C-N 3.3Å; V2304-Q2306 PolarHBondContact O-N 3.16Å; Q2306-M2310 WeakPolarHBondContact O-CB 3.34Å; Q2306-M2310 PolarHBondContact O-N 3.11Å; Q2306-M2310 VanDerWaalsContact O-N 3.11Å |
| 2307 | F | 91.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 174 | 178.6 | -93.3 | 0 | 0 | 0 | 112.7 | I2230 A2233 L2277 F2303 V2304 Q2305 M2310 T2311 T2341 I2344 G2345 | I2230-F2307 HydrophobicContact CB-CD1 4.34Å; I2230-F2307 HydrophobicContact CB-CE1 4.29Å; I2230-F2307 HydrophobicContact CG1-CD1 3.94Å; I2230-F2307 HydrophobicContact CG1-CE1 4.36Å; I2230-F2307 HydrophobicContact CG2-CD1 4.12Å; I2230-F2307 HydrophobicContact CG2-CE1 3.75Å; I2230-F2307 HydrophobicContact CG2-CZ 4.23Å; A2233-F2307 HydrophobicContact CB-CE1 4.43Å; L2277-F2307 HydrophobicContact CD1-CB 4.14Å; L2277-F2307 HydrophobicContact CD2-CB 4.35Å; L2277-F2307 HydrophobicContact CD2-CD2 4.03Å; F2303-F2307 PolarHBondContact O-N 3.11Å; F2303-F2307 VanDerWaalsContact O-N 3.1Å; V2304-F2307 WeakPolarHBondContact O-CB 3.4Å; V2304-F2307 PolarHBondContact O-N 3.12Å; V2304-F2307 VanDerWaalsContact O-N 3.14Å; Q2305-F2307 VanDerWaalsContact C-N 3.32Å; Q2305-F2307 PolarHBondContact O-N 3Å; F2307-M2310 HydrophobicContact CD2-CE 3.69Å; F2307-M2310 HydrophobicContact CE2-CE 3.86Å; F2307-M2310 WeakPolarHBondContact O-CB 3.35Å; F2307-M2310 PolarHBondContact O-N 3.09Å; F2307-T2311 WeakPolarHBondContact CE1-OG1 3.35Å; F2307-T2311 WeakPolarHBondContact O-CB 3.44Å; F2307-T2311 PolarHBondContact O-N 3.09Å; F2307-T2311 PolarHBondContact O-OG1 3.15Å; F2307-T2341 HydrophobicContact CE2-CG2 4.39Å; F2307-T2341 HydrophobicContact CZ-CG2 4.43Å; F2307-I2344 HydrophobicContact CD2-CG2 4.07Å; F2307-I2344 HydrophobicContact CE2-CB 4.26Å; F2307-I2344 HydrophobicContact CE2-CG2 3.87Å; F2307-G2345 VanDerWaalsContact CE2-CA 3.49Å |
| 2308 | L | 88.5 | Confident | 85.1 | Confident | 52.6 Ų | 52.6 | 36.9 Ų | 36.9 | 28% | 0.275 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 176.5 | -66.7 | 175.7 | 0 | 0 | 0 | 111.5 | S2229 A2233 V2304 Q2305 M2310 T2311 E2312 | S2229-L2308 WeakPolarHBondContact OG-CD1 3.4Å; A2233-L2308 HydrophobicContact CB-CD2 3.44Å; A2233-L2308 VanDerWaalsContact CB-CD2 3.44Å; V2304-L2308 HydrophobicContact CG1-CD1 4.23Å; V2304-L2308 HydrophobicContact CG1-CG 4.4Å; V2304-L2308 WeakPolarHBondContact O-CG 3.25Å; V2304-L2308 PolarHBondContact O-N 3.16Å; Q2305-L2308 PolarHBondContact O-N 3.06Å; L2308-M2310 VanDerWaalsContact C-N 3.29Å; L2308-M2310 PolarHBondContact O-N 3.15Å; L2308-T2311 WeakPolarHBondContact O-CB 3.35Å; L2308-T2311 PolarHBondContact O-N 3.13Å; L2308-T2311 VanDerWaalsContact O-N 3.16Å; L2308-E2312 PolarHBondContact O-N 3.24Å |
| 2309 | Q | 87.7 | Confident | 85.2 | Confident | 70.2 Ų | 70.2 | 32.3 Ų | 32.3 | 33% | 0.328 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.7 | -36.7 | 174.9 | -68.3 | 177.1 | 0.3 | 0 | 0 | 112.5 | Q2273 Q2305 T2311 E2312 T2313 A2678 | Q2273-Q2309 PolarHBondContact NE2-O 2.88Å; Q2273-Q2309 PolarHBondContact OE1-O 3.43Å; Q2305-Q2309 WeakPolarHBondContact O-CG 3.38Å; Q2305-Q2309 PolarHBondContact O-N 3.2Å; Q2309-T2311 VanDerWaalsContact C-N 3.33Å; Q2309-T2311 PolarHBondContact O-N 2.86Å; Q2309-E2312 PolarHBondContact O-N 3.25Å; Q2309-T2313 WeakPolarHBondContact O-CB 3.46Å; Q2309-T2313 WeakPolarHBondContact O-CG2 3.37Å; Q2309-T2313 PolarHBondContact O-N 3.22Å; Q2309-T2313 VanDerWaalsContact O-N 3.07Å; Q2309-T2313 PolarHBondContact O-OG1 3Å; Q2309-A2678 PolarHBondContact OE1-O 3.27Å |
| 2310 | M | 89.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 174.8 | -168.8 | 177.5 | 68.9 | 0 | 0 | 111.3 | L2270 Q2273 L2277 Q2306 F2307 L2308 E2312 T2313 V2314 T2341 I2344 L2371 | L2270-M2310 HydrophobicContact CD1-CG 3.4Å; L2270-M2310 VanDerWaalsContact CD1-CG 3.44Å; L2270-M2310 HydrophobicContact CD1-SD 4.22Å; Q2273-M2310 HydrophobicContact CB-CB 4.26Å; Q2273-M2310 HydrophobicContact CB-CG 4.29Å; L2277-M2310 HydrophobicContact CD2-CE 3.71Å; L2277-M2310 HydrophobicContact CD2-SD 4.17Å; Q2306-M2310 WeakPolarHBondContact O-CB 3.34Å; Q2306-M2310 PolarHBondContact O-N 3.11Å; Q2306-M2310 VanDerWaalsContact O-N 3.11Å; F2307-M2310 HydrophobicContact CD2-CE 3.69Å; F2307-M2310 HydrophobicContact CE2-CE 3.86Å; F2307-M2310 WeakPolarHBondContact O-CB 3.35Å; F2307-M2310 PolarHBondContact O-N 3.09Å; L2308-M2310 VanDerWaalsContact C-N 3.29Å; L2308-M2310 PolarHBondContact O-N 3.15Å; M2310-E2312 PolarHBondContact O-N 3.47Å; M2310-T2313 WeakPolarHBondContact O-CB 3.4Å; M2310-T2313 PolarHBondContact O-N 3.17Å; M2310-T2313 PolarHBondContact O-OG1 3.22Å; M2310-V2314 VanDerWaalsContact O-CG2 3.28Å; M2310-V2314 WeakPolarHBondContact O-CG2 3.39Å; M2310-V2314 PolarHBondContact O-N 3.05Å; M2310-V2314 VanDerWaalsContact O-N 3.11Å; M2310-T2341 HydrophobicContact CE-CG2 4.26Å; M2310-I2344 HydrophobicContact CE-CB 4.47Å; M2310-I2344 HydrophobicContact CE-CD1 4.17Å; M2310-I2344 HydrophobicContact CE-CG2 4.03Å; M2310-L2371 HydrophobicContact CE-CD2 4.33Å; M2310-L2371 HydrophobicContact SD-CD2 3.95Å |
| 2311 | T | 87.4 | Confident | 84.4 | Confident | 5.6 Ų | 5.6 | 31.5 Ų | 31.5 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | A2233 L2237 F2307 L2308 Q2309 T2313 V2314 Q2315 | A2233-T2311 HydrophobicContact CB-CG2 4.03Å; A2233-T2311 WeakPolarHBondContact O-CG2 3.44Å; L2237-T2311 HydrophobicContact CD1-CG2 3.85Å; L2237-T2311 HydrophobicContact CD2-CG2 3.9Å; L2237-T2311 HydrophobicContact CG-CG2 3.72Å; F2307-T2311 WeakPolarHBondContact CE1-OG1 3.35Å; F2307-T2311 WeakPolarHBondContact O-CB 3.44Å; F2307-T2311 PolarHBondContact O-N 3.09Å; F2307-T2311 PolarHBondContact O-OG1 3.15Å; L2308-T2311 WeakPolarHBondContact O-CB 3.35Å; L2308-T2311 PolarHBondContact O-N 3.13Å; L2308-T2311 VanDerWaalsContact O-N 3.16Å; Q2309-T2311 VanDerWaalsContact C-N 3.33Å; Q2309-T2311 PolarHBondContact O-N 2.86Å; T2311-T2313 VanDerWaalsContact C-N 3.33Å; T2311-T2313 PolarHBondContact O-N 3.08Å; T2311-V2314 PolarHBondContact O-N 3.2Å; T2311-Q2315 PolarHBondContact O-N 3.1Å |
| 2312 | E | 85.4 | Confident | 83.9 | Confident | 106.4 Ų | 106.4 | 34 Ų | 34 | 50% | 0.497 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.4 | -170 | -172.4 | 168.9 | 0 | 0 | 112 | L2308 Q2309 M2310 V2314 Q2315 Q2316 | L2308-E2312 PolarHBondContact O-N 3.24Å; Q2309-E2312 PolarHBondContact O-N 3.25Å; M2310-E2312 PolarHBondContact O-N 3.47Å; E2312-V2314 VanDerWaalsContact C-N 3.32Å; E2312-V2314 PolarHBondContact O-N 3.31Å; E2312-Q2315 WeakPolarHBondContact O-CB 3.39Å; E2312-Q2315 PolarHBondContact O-N 3.19Å; E2312-Q2315 VanDerWaalsContact O-N 3.14Å; E2312-Q2316 WeakPolarHBondContact O-CG 3.34Å; E2312-Q2316 PolarHBondContact O-N 3.25Å; E2312-Q2316 PolarHBondContact OE1-NE2 3.09Å |
| 2313 | T | 84.9 | Confident | 83 | Confident | 1.6 Ų | 1.6 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 177.3 | -41.9 | 0 | 0 | 0 | 0 | 111.8 | L2266 R2269 L2270 Q2273 Q2309 M2310 T2311 Q2316 M2317 | L2266-T2313 HydrophobicContact CB-CG2 4.48Å; L2266-T2313 HydrophobicContact CD2-CG2 3.97Å; R2269-T2313 HydrophobicContact CB-CG2 4.27Å; R2269-T2313 HydrophobicContact CG-CG2 4.26Å; R2269-T2313 VanDerWaalsContact CZ-CG2 3.42Å; R2269-T2313 VanDerWaalsContact CZ-OG1 3.31Å; R2269-T2313 VanDerWaalsContact NE-CG2 3.27Å; R2269-T2313 PolarHBondContact NE-OG1 3.13Å; R2269-T2313 PolarHBondContact NH2-OG1 3.06Å; L2270-T2313 HydrophobicContact CB-CG2 4.01Å; Q2273-T2313 PolarHBondContact NE2-OG1 3.07Å; Q2273-T2313 VanDerWaalsContact NE2-OG1 3.16Å; Q2273-T2313 VanDerWaalsContact OE1-CB 3.3Å; Q2273-T2313 PolarHBondContact OE1-OG1 3.19Å; Q2309-T2313 WeakPolarHBondContact O-CB 3.46Å; Q2309-T2313 WeakPolarHBondContact O-CG2 3.37Å; Q2309-T2313 PolarHBondContact O-N 3.22Å; Q2309-T2313 VanDerWaalsContact O-N 3.07Å; Q2309-T2313 PolarHBondContact O-OG1 3Å; M2310-T2313 WeakPolarHBondContact O-CB 3.4Å; M2310-T2313 PolarHBondContact O-N 3.17Å; M2310-T2313 PolarHBondContact O-OG1 3.22Å; T2311-T2313 VanDerWaalsContact C-N 3.33Å; T2311-T2313 PolarHBondContact O-N 3.08Å; T2313-Q2316 PolarHBondContact O-N 2.98Å; T2313-M2317 VanDerWaalsContact O-CB 3.28Å; T2313-M2317 WeakPolarHBondContact O-CB 3.36Å; T2313-M2317 PolarHBondContact O-N 3.25Å |
| 2314 | V | 87.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 173.6 | 172 | 0 | 0 | 0 | 0 | 111.4 | L2237 L2270 M2310 T2311 E2312 M2317 S2318 L2337 T2341 | L2237-V2314 HydrophobicContact CD2-CB 4.37Å; L2237-V2314 HydrophobicContact CD2-CG1 4.11Å; L2270-V2314 HydrophobicContact CD1-CG2 3.69Å; L2270-V2314 HydrophobicContact CD2-CG2 3.66Å; L2270-V2314 HydrophobicContact CG-CG2 4.36Å; M2310-V2314 VanDerWaalsContact O-CG2 3.28Å; M2310-V2314 WeakPolarHBondContact O-CG2 3.39Å; M2310-V2314 PolarHBondContact O-N 3.05Å; M2310-V2314 VanDerWaalsContact O-N 3.11Å; T2311-V2314 PolarHBondContact O-N 3.2Å; E2312-V2314 VanDerWaalsContact C-N 3.32Å; E2312-V2314 PolarHBondContact O-N 3.31Å; V2314-M2317 PolarHBondContact O-N 3.2Å; V2314-S2318 VanDerWaalsContact O-CB 3.25Å; V2314-S2318 WeakPolarHBondContact O-CB 3.33Å; V2314-S2318 PolarHBondContact O-N 2.99Å; V2314-L2337 HydrophobicContact CG1-CB 4.26Å; V2314-L2337 HydrophobicContact CG1-CD2 4.48Å; V2314-L2337 HydrophobicContact CG2-CD2 4.14Å; V2314-T2341 HydrophobicContact CG2-CG2 4.32Å; V2314-T2341 VanDerWaalsContact CG2-OG1 3.3Å; V2314-T2341 WeakPolarHBondContact CG2-OG1 3.45Å |
| 2315 | Q | 85.7 | Confident | 79.8 | Confident | 77.4 Ų | 77.4 | 46.8 Ų | 46.8 | 36% | 0.362 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 175 | -175.5 | 163.6 | 10.7 | 0 | 0 | 111.8 | K2236 L2237 T2240 T2311 E2312 S2318 S2319 | K2236-Q2315 PolarHBondContact O-NE2 2.82Å; K2236-Q2315 VanDerWaalsContact O-NE2 3.14Å; L2237-Q2315 HydrophobicContact CD2-CB 4.36Å; T2240-Q2315 HydrophobicContact CG2-CB 4.34Å; T2240-Q2315 HydrophobicContact CG2-CG 3.96Å; T2240-Q2315 VanDerWaalsContact CG2-NE2 3.29Å; T2311-Q2315 PolarHBondContact O-N 3.1Å; E2312-Q2315 WeakPolarHBondContact O-CB 3.39Å; E2312-Q2315 PolarHBondContact O-N 3.19Å; E2312-Q2315 VanDerWaalsContact O-N 3.14Å; Q2315-S2318 PolarHBondContact O-N 3.16Å; Q2315-S2319 PolarHBondContact O-N 3.14Å; Q2315-S2319 PolarHBondContact O-OG 3.1Å |
| 2316 | Q | 82.3 | Confident | 78.2 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65 | -41.8 | 175 | -68.1 | 174.2 | 10.2 | 0 | 0 | 111.8 | L2266 E2312 T2313 S2318 S2319 V2320 | L2266-Q2316 HydrophobicContact CD1-CB 4.19Å; L2266-Q2316 HydrophobicContact CD2-CB 3.91Å; E2312-Q2316 WeakPolarHBondContact O-CG 3.34Å; E2312-Q2316 PolarHBondContact O-N 3.25Å; E2312-Q2316 PolarHBondContact OE1-NE2 3.09Å; T2313-Q2316 PolarHBondContact O-N 2.98Å; Q2316-S2318 VanDerWaalsContact C-N 3.34Å; Q2316-S2318 PolarHBondContact O-N 3.37Å; Q2316-S2319 PolarHBondContact O-N 3.14Å; Q2316-S2319 PolarHBondContact O-OG 3.11Å; Q2316-V2320 VanDerWaalsContact O-CG2 3.3Å; Q2316-V2320 WeakPolarHBondContact O-CG2 3.35Å; Q2316-V2320 PolarHBondContact O-N 3.29Å; Q2316-V2320 VanDerWaalsContact O-N 3.11Å |
| 2317 | M | 80.4 | Confident | 76.6 | Confident | 0.2 Ų | 0.2 | 51.3 Ų | 51.3 | 0% | 0.001 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 176.2 | -167.6 | 175.1 | -175.4 | 0 | 0 | 111.6 | F2263 L2266 H2267 L2270 T2313 V2314 V2320 L2321 L2337 | F2263-M2317 HydrophobicContact CD2-CE 4.04Å; F2263-M2317 HydrophobicContact CD2-CG 4.2Å; F2263-M2317 HydrophobicContact CE1-CE 4.39Å; F2263-M2317 HydrophobicContact CE2-CE 3.23Å; F2263-M2317 HydrophobicContact CE2-CG 4.04Å; F2263-M2317 HydrophobicContact CE2-SD 4.39Å; F2263-M2317 HydrophobicContact CZ-CE 3.49Å; F2263-M2317 VanDerWaalsContact CZ-CE 3.46Å; L2266-M2317 HydrophobicContact CB-CB 4.36Å; L2266-M2317 HydrophobicContact CB-CG 4.42Å; L2266-M2317 HydrophobicContact CD1-CB 4.42Å; H2267-M2317 HydrophobicContact CB-CE 4Å; L2270-M2317 HydrophobicContact CD2-SD 3.88Å; T2313-M2317 VanDerWaalsContact O-CB 3.28Å; T2313-M2317 WeakPolarHBondContact O-CB 3.36Å; T2313-M2317 PolarHBondContact O-N 3.25Å; V2314-M2317 PolarHBondContact O-N 3.2Å; M2317-V2320 PolarHBondContact O-N 3.24Å; M2317-L2321 HydrophobicContact CG-CD1 4.21Å; M2317-L2321 WeakPolarHBondContact O-CB 3.35Å; M2317-L2321 VanDerWaalsContact O-CG 3.3Å; M2317-L2321 WeakPolarHBondContact O-CG 3.36Å; M2317-L2321 PolarHBondContact O-N 3.18Å; M2317-L2337 HydrophobicContact CE-CD1 3.94Å; M2317-L2337 HydrophobicContact CG-CD1 4.23Å; M2317-L2337 HydrophobicContact SD-CD1 3.72Å; M2317-L2337 HydrophobicContact SD-CD2 4.38Å |
| 2318 | S | 80.7 | Confident | 75 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -37 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 112 | V2314 Q2315 Q2316 L2321 K2322 | V2314-S2318 VanDerWaalsContact O-CB 3.25Å; V2314-S2318 WeakPolarHBondContact O-CB 3.33Å; V2314-S2318 PolarHBondContact O-N 2.99Å; Q2315-S2318 PolarHBondContact O-N 3.16Å; Q2316-S2318 VanDerWaalsContact C-N 3.34Å; Q2316-S2318 PolarHBondContact O-N 3.37Å; S2318-L2321 PolarHBondContact O-N 3.43Å; S2318-K2322 VanDerWaalsContact O-CB 3.3Å; S2318-K2322 WeakPolarHBondContact O-CB 3.42Å; S2318-K2322 VanDerWaalsContact O-CD 3.3Å; S2318-K2322 WeakPolarHBondContact O-CD 3.27Å; S2318-K2322 VanDerWaalsContact O-CG 3.22Å; S2318-K2322 WeakPolarHBondContact O-CG 3.35Å; S2318-K2322 PolarHBondContact O-N 3.24Å; S2318-K2322 VanDerWaalsContact O-N 3.13Å; S2318-K2322 VanDerWaalsContact OG-CE 3.28Å; S2318-K2322 WeakPolarHBondContact OG-CE 3.29Å; S2318-K2322 PolarHBondContact OG-NZ 3.3Å |
| 2319 | S | 76.9 | Confident | 73.8 | Confident | 59.4 Ų | 59.4 | 59.4 Ų | 59.4 | 42% | 0.415 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.9 | -45 | 175.6 | 65.2 | 0 | 0 | 0 | 0 | 111.1 | Q2315 Q2316 L2321 K2322 M2323 | Q2315-S2319 PolarHBondContact O-N 3.14Å; Q2315-S2319 PolarHBondContact O-OG 3.1Å; Q2316-S2319 PolarHBondContact O-N 3.14Å; Q2316-S2319 PolarHBondContact O-OG 3.11Å; S2319-L2321 VanDerWaalsContact C-N 3.34Å; S2319-L2321 PolarHBondContact O-N 3.14Å; S2319-K2322 PolarHBondContact O-N 3.11Å; S2319-M2323 VanDerWaalsContact O-CG 3.26Å; S2319-M2323 WeakPolarHBondContact O-CG 3.38Å; S2319-M2323 PolarHBondContact O-N 3.19Å; S2319-M2323 VanDerWaalsContact O-N 3.14Å |
| 2320 | V | 74 | Confident | 73 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -44.9 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | L2259 F2263 L2266 Q2316 M2317 K2322 M2323 W2540 | L2259-V2320 HydrophobicContact CD2-CG1 4.23Å; L2259-V2320 HydrophobicContact CG-CG1 4.38Å; L2259-V2320 HydrophobicContact CG-CG2 4.44Å; F2263-V2320 HydrophobicContact CB-CG1 4.22Å; F2263-V2320 HydrophobicContact CD2-CG1 4.45Å; L2266-V2320 HydrophobicContact CD1-CG2 4.2Å; Q2316-V2320 VanDerWaalsContact O-CG2 3.3Å; Q2316-V2320 WeakPolarHBondContact O-CG2 3.35Å; Q2316-V2320 PolarHBondContact O-N 3.29Å; Q2316-V2320 VanDerWaalsContact O-N 3.11Å; M2317-V2320 PolarHBondContact O-N 3.24Å; V2320-K2322 VanDerWaalsContact C-N 3.29Å; V2320-K2322 PolarHBondContact O-N 3.31Å; V2320-M2323 PolarHBondContact O-N 3.25Å; V2320-W2540 HydrophobicContact CG1-CZ2 4.18Å |
| 2321 | L | 73.9 | Confident | 72.2 | Confident | 13.2 Ų | 13.2 | 59 Ų | 59 | 7% | 0.069 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.9 | -22.5 | 177.9 | -75.6 | 171.5 | 0 | 0 | 0 | 114.2 | F2263 M2317 S2318 S2319 G2330 L2333 A2334 L2337 W2540 | F2263-L2321 HydrophobicContact CD2-CD2 4.26Å; F2263-L2321 HydrophobicContact CD2-CG 4.34Å; F2263-L2321 HydrophobicContact CE2-CD1 4.17Å; F2263-L2321 HydrophobicContact CE2-CD2 3.68Å; F2263-L2321 HydrophobicContact CE2-CG 3.94Å; F2263-L2321 HydrophobicContact CZ-CD2 4.43Å; M2317-L2321 HydrophobicContact CG-CD1 4.21Å; M2317-L2321 WeakPolarHBondContact O-CB 3.35Å; M2317-L2321 VanDerWaalsContact O-CG 3.3Å; M2317-L2321 WeakPolarHBondContact O-CG 3.36Å; M2317-L2321 PolarHBondContact O-N 3.18Å; S2318-L2321 PolarHBondContact O-N 3.43Å; S2319-L2321 VanDerWaalsContact C-N 3.34Å; S2319-L2321 PolarHBondContact O-N 3.14Å; L2321-G2330 CarbonylContact O-C 3.23Å; L2321-L2333 HydrophobicContact CD1-CB 4.3Å; L2321-L2333 HydrophobicContact CD1-CD2 3.94Å; L2321-L2333 HydrophobicContact CD1-CG 3.98Å; L2321-L2333 HydrophobicContact CD2-CD2 4.09Å; L2321-A2334 HydrophobicContact CB-CB 3.92Å; L2321-A2334 HydrophobicContact CD1-CB 4.09Å; L2321-L2337 HydrophobicContact CD1-CD1 3.93Å; L2321-W2540 HydrophobicContact CD2-CZ2 4.33Å |
| 2322 | K | 70.8 | Confident | 71.7 | Confident | 71.8 Ų | 71.8 | 60.5 Ų | 60.5 | 31% | 0.312 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -89.5 | -16.9 | 178.8 | -76.1 | 170.2 | -179.9 | 165.7 | 0 | 113.7 | T2240 S2318 S2319 V2320 H2324 A2334 | T2240-K2322 VanDerWaalsContact C-NZ 3.29Å; T2240-K2322 VanDerWaalsContact CB-NZ 3.29Å; T2240-K2322 PolarHBondContact O-NZ 3.15Å; T2240-K2322 PolarHBondContact OG1-NZ 3.11Å; T2240-K2322 VanDerWaalsContact OG1-NZ 3.12Å; S2318-K2322 VanDerWaalsContact O-CB 3.3Å; S2318-K2322 WeakPolarHBondContact O-CB 3.42Å; S2318-K2322 VanDerWaalsContact O-CD 3.3Å; S2318-K2322 WeakPolarHBondContact O-CD 3.27Å; S2318-K2322 VanDerWaalsContact O-CG 3.22Å; S2318-K2322 WeakPolarHBondContact O-CG 3.35Å; S2318-K2322 PolarHBondContact O-N 3.24Å; S2318-K2322 VanDerWaalsContact O-N 3.13Å; S2318-K2322 VanDerWaalsContact OG-CE 3.28Å; S2318-K2322 WeakPolarHBondContact OG-CE 3.29Å; S2318-K2322 PolarHBondContact OG-NZ 3.3Å; S2319-K2322 PolarHBondContact O-N 3.11Å; V2320-K2322 VanDerWaalsContact C-N 3.29Å; V2320-K2322 PolarHBondContact O-N 3.31Å; K2322-H2324 VanDerWaalsContact C-N 3.32Å; K2322-H2324 PolarHBondContact O-N 3.28Å; K2322-A2334 HydrophobicContact CG-CB 4.31Å |
| 2323 | M | 65.5 | Low | 71.3 | Confident | 138.8 Ų | 138.8 | 56.2 Ų | 56.2 | 68% | 0.684 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -71.7 | -13.5 | -176 | -76.1 | -67.1 | -173.8 | 0 | 0 | 114.7 | L2259 S2319 V2320 P2325 | L2259-M2323 HydrophobicContact CD2-CB 4.25Å; L2259-M2323 HydrophobicContact CD2-CG 4.44Å; S2319-M2323 VanDerWaalsContact O-CG 3.26Å; S2319-M2323 WeakPolarHBondContact O-CG 3.38Å; S2319-M2323 PolarHBondContact O-N 3.19Å; S2319-M2323 VanDerWaalsContact O-N 3.14Å; V2320-M2323 PolarHBondContact O-N 3.25Å; M2323-P2325 WeakPolarHBondContact O-CD 3.24Å |
| 2324 | H | 55.7 | Low | 71.2 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | trans | -122.4 | 107.6 | 176.6 | -140.9 | -65 | 0 | 0 | 0 | 112.2 | K2322 Q2326 W2540 D2542 | K2322-H2324 VanDerWaalsContact C-N 3.32Å; K2322-H2324 PolarHBondContact O-N 3.28Å; H2324-Q2326 VanDerWaalsContact C-N 3.28Å; H2324-Q2326 PolarHBondContact CE1-OE1 2.88Å; H2324-Q2326 VanDerWaalsContact CE1-OE1 3.27Å; H2324-Q2326 PolarHBondContact O-N 3.1Å; H2324-W2540 HydrophobicContact CB-CE3 4.41Å; H2324-W2540 HydrophobicContact CB-CH2 3.9Å; H2324-W2540 HydrophobicContact CB-CZ3 3.74Å; H2324-W2540 AromaticContact CD2-CD1 3.96Å; H2324-W2540 AromaticContact CD2-CE3 3.61Å; H2324-W2540 AromaticContact CD2-CZ3 3.57Å; H2324-W2540 AromaticContact CG-CZ3 3.96Å; H2324-D2542 IonicContact CE1-OD2 3.76Å | ||
| 2325 | P | 53.2 | Low | 71 | Confident | 112.2 Ų | 112.2 | 61.3 Ų | 61.3 | 73% | 0.729 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 18.2 | -172.8 | 32.1 | -31 | 0 | 0 | 0 | 114.7 | M2323 I2327 | M2323-P2325 WeakPolarHBondContact O-CD 3.24Å; P2325-I2327 PolarHBondContact O-N 3.01Å |
| 2326 | Q | 52.2 | Low | 71 | Confident | 139 Ų | 139 | 63.7 Ų | 63.7 | 65% | 0.65 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -6.8 | -173.6 | -75 | -178.8 | -15.8 | 0 | 0 | 114.9 | H2324 | H2324-Q2326 VanDerWaalsContact C-N 3.28Å; H2324-Q2326 PolarHBondContact CE1-OE1 2.88Å; H2324-Q2326 VanDerWaalsContact CE1-OE1 3.27Å; H2324-Q2326 PolarHBondContact O-N 3.1Å |
| 2327 | I | 54.7 | Low | 71.3 | Confident | 77.4 Ų | 77.4 | 60.7 Ų | 60.7 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | trans | -137.2 | 119.4 | 175 | -42 | 177.8 | 0 | 0 | 0 | 109.3 | P2325 T2329 G2330 P2331 F2539 | P2325-I2327 PolarHBondContact O-N 3.01Å; I2327-T2329 HydrophobicContact CG2-CG2 4.11Å; I2327-T2329 VanDerWaalsContact CG2-OG1 3.24Å; I2327-T2329 WeakPolarHBondContact CG2-OG1 3.39Å; I2327-T2329 PolarHBondContact O-N 3.05Å; I2327-G2330 PolarHBondContact O-N 3.35Å; I2327-P2331 WeakPolarHBondContact O-CD 3.26Å; I2327-F2539 HydrophobicContact CD1-CD1 4.43Å; I2327-F2539 HydrophobicContact CD1-CE1 4.42Å; I2327-F2539 WeakPolarHBondContact CD1-O 3.27Å | ||
| 2328 | D | 58.2 | Low | 71.7 | Confident | 149.6 Ų | 149.6 | 60.9 Ų | 60.9 | 80% | 0.8 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -18.2 | 179.6 | -75 | -35.9 | 0 | 0 | 0 | 113.7 | G2330 A2332 | D2328-G2330 VanDerWaalsContact C-N 3.34Å; D2328-G2330 PolarHBondContact O-N 3.16Å; D2328-A2332 VanDerWaalsContact O-CB 3.23Å; D2328-A2332 WeakPolarHBondContact O-CB 3.37Å; D2328-A2332 PolarHBondContact O-N 3.07Å |
| 2329 | T | 64.3 | Low | 72.1 | Confident | 72.2 Ų | 72.2 | 65.6 Ų | 65.6 | 44% | 0.443 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.2 | -30.7 | -179.8 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | I2327 L2333 F2539 | I2327-T2329 HydrophobicContact CG2-CG2 4.11Å; I2327-T2329 VanDerWaalsContact CG2-OG1 3.24Å; I2327-T2329 WeakPolarHBondContact CG2-OG1 3.39Å; I2327-T2329 PolarHBondContact O-N 3.05Å; T2329-L2333 VanDerWaalsContact O-CB 3.27Å; T2329-L2333 WeakPolarHBondContact O-CB 3.39Å; T2329-L2333 PolarHBondContact O-N 3.26Å; T2329-F2539 VanDerWaalsContact OG1-CE1 3.27Å; T2329-F2539 WeakPolarHBondContact OG1-CE1 3.42Å; T2329-F2539 VanDerWaalsContact OG1-CE2 3.28Å; T2329-F2539 WeakPolarHBondContact OG1-CE2 3.21Å |
| 2330 | G | 69.2 | Low | 72.7 | Confident | 7.8 Ų | 7.8 | 63.3 Ų | 63.3 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.3 | -58.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2321 I2327 D2328 A2332 L2333 A2334 | L2321-G2330 CarbonylContact O-C 3.23Å; I2327-G2330 PolarHBondContact O-N 3.35Å; D2328-G2330 VanDerWaalsContact C-N 3.34Å; D2328-G2330 PolarHBondContact O-N 3.16Å; G2330-A2332 VanDerWaalsContact C-N 3.3Å; G2330-A2332 PolarHBondContact O-N 3.22Å; G2330-L2333 PolarHBondContact O-N 3.17Å; G2330-L2333 VanDerWaalsContact O-N 3.15Å; G2330-A2334 PolarHBondContact O-N 3.18Å |
| 2331 | P | 73 | Confident | 73.5 | Confident | 53.4 Ų | 53.4 | 62.7 Ų | 62.7 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 174.6 | -15.8 | 23.3 | 0 | 0 | 0 | 112.8 | I2327 L2333 A2334 Q2335 | I2327-P2331 WeakPolarHBondContact O-CD 3.26Å; P2331-L2333 VanDerWaalsContact C-N 3.34Å; P2331-L2333 PolarHBondContact O-N 2.82Å; P2331-A2334 PolarHBondContact O-N 3.12Å; P2331-Q2335 VanDerWaalsContact O-CB 3.3Å; P2331-Q2335 WeakPolarHBondContact O-CB 3.4Å; P2331-Q2335 PolarHBondContact O-N 3.14Å |
| 2332 | A | 77.2 | Confident | 74.3 | Confident | 38.8 Ų | 38.8 | 63.7 Ų | 63.7 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D2328 G2330 Q2335 K2336 | D2328-A2332 VanDerWaalsContact O-CB 3.23Å; D2328-A2332 WeakPolarHBondContact O-CB 3.37Å; D2328-A2332 PolarHBondContact O-N 3.07Å; G2330-A2332 VanDerWaalsContact C-N 3.3Å; G2330-A2332 PolarHBondContact O-N 3.22Å; A2332-Q2335 PolarHBondContact O-N 3.44Å; A2332-K2336 WeakPolarHBondContact O-CB 3.26Å; A2332-K2336 WeakPolarHBondContact O-CD 3.39Å; A2332-K2336 VanDerWaalsContact O-CG 3.26Å; A2332-K2336 WeakPolarHBondContact O-CG 3.4Å; A2332-K2336 PolarHBondContact O-N 3.26Å; A2332-K2336 VanDerWaalsContact O-N 3.15Å |
| 2333 | L | 78.6 | Confident | 75.2 | Confident | 15.4 Ų | 15.4 | 61.8 Ų | 61.8 | 8% | 0.081 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 173.6 | 179.1 | 64.2 | 0 | 0 | 0 | 111.3 | F2263 L2321 T2329 G2330 P2331 Q2335 K2336 L2337 V2374 C2378 | F2263-L2333 HydrophobicContact CZ-CD2 4.39Å; L2321-L2333 HydrophobicContact CD1-CB 4.3Å; L2321-L2333 HydrophobicContact CD1-CD2 3.94Å; L2321-L2333 HydrophobicContact CD1-CG 3.98Å; L2321-L2333 HydrophobicContact CD2-CD2 4.09Å; T2329-L2333 VanDerWaalsContact O-CB 3.27Å; T2329-L2333 WeakPolarHBondContact O-CB 3.39Å; T2329-L2333 PolarHBondContact O-N 3.26Å; G2330-L2333 PolarHBondContact O-N 3.17Å; G2330-L2333 VanDerWaalsContact O-N 3.15Å; P2331-L2333 VanDerWaalsContact C-N 3.34Å; P2331-L2333 PolarHBondContact O-N 2.82Å; L2333-Q2335 VanDerWaalsContact C-N 3.29Å; L2333-Q2335 PolarHBondContact O-N 3.18Å; L2333-K2336 PolarHBondContact O-N 3.15Å; L2333-K2336 VanDerWaalsContact O-N 3.15Å; L2333-L2337 HydrophobicContact CD1-CD1 4.31Å; L2333-L2337 HydrophobicContact CD1-CG 4.38Å; L2333-L2337 HydrophobicContact CG-CD1 4.17Å; L2333-L2337 HydrophobicContact CG-CG 4.5Å; L2333-L2337 WeakPolarHBondContact O-CB 3.35Å; L2333-L2337 WeakPolarHBondContact O-CG 3.4Å; L2333-L2337 PolarHBondContact O-N 3.09Å; L2333-V2374 HydrophobicContact CD1-CG1 3.85Å; L2333-C2378 VanDerWaalsContact CD2-SG 3.55Å; L2333-C2378 WeakPolarHBondContact CD2-SG 3.43Å |
| 2334 | A | 81.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2321 K2322 G2330 P2331 L2337 C2338 | L2321-A2334 HydrophobicContact CB-CB 3.92Å; L2321-A2334 HydrophobicContact CD1-CB 4.09Å; K2322-A2334 HydrophobicContact CG-CB 4.31Å; G2330-A2334 PolarHBondContact O-N 3.18Å; P2331-A2334 PolarHBondContact O-N 3.12Å; A2334-L2337 WeakPolarHBondContact O-CB 3.23Å; A2334-L2337 PolarHBondContact O-N 3.19Å; A2334-C2338 PolarHBondContact O-N 3.2Å; A2334-C2338 PolarHBondContact O-SG 3.12Å; A2334-C2338 VanDerWaalsContact O-SG 3.34Å |
| 2335 | Q | 84 | Confident | 78.1 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 175.8 | -171.6 | 176.3 | 3.8 | 0 | 0 | 111.6 | P2331 A2332 L2333 L2337 C2338 H2339 | P2331-Q2335 VanDerWaalsContact O-CB 3.3Å; P2331-Q2335 WeakPolarHBondContact O-CB 3.4Å; P2331-Q2335 PolarHBondContact O-N 3.14Å; A2332-Q2335 PolarHBondContact O-N 3.44Å; L2333-Q2335 VanDerWaalsContact C-N 3.29Å; L2333-Q2335 PolarHBondContact O-N 3.18Å; Q2335-L2337 VanDerWaalsContact C-N 3.32Å; Q2335-L2337 PolarHBondContact O-N 3.1Å; Q2335-C2338 PolarHBondContact O-N 3.1Å; Q2335-H2339 VanDerWaalsContact CG-CE1 3.44Å; Q2335-H2339 WeakPolarHBondContact CG-CE1 3.29Å; Q2335-H2339 WeakPolarHBondContact CG-ND1 3.2Å; Q2335-H2339 PolarHBondContact O-N 3.35Å; Q2335-H2339 PolarHBondContact O-ND1 3.11Å |
| 2336 | K | 85.7 | Confident | 79.9 | Confident | 127.8 Ų | 127.8 | 49.3 Ų | 49.3 | 56% | 0.556 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.9 | -41.8 | 175.9 | -75.2 | 172.8 | -176.6 | 179.1 | 0 | 112.2 | A2332 L2333 H2339 A2340 V2374 | A2332-K2336 WeakPolarHBondContact O-CB 3.26Å; A2332-K2336 WeakPolarHBondContact O-CD 3.39Å; A2332-K2336 VanDerWaalsContact O-CG 3.26Å; A2332-K2336 WeakPolarHBondContact O-CG 3.4Å; A2332-K2336 PolarHBondContact O-N 3.26Å; A2332-K2336 VanDerWaalsContact O-N 3.15Å; L2333-K2336 PolarHBondContact O-N 3.15Å; L2333-K2336 VanDerWaalsContact O-N 3.15Å; K2336-H2339 PolarHBondContact O-N 3.15Å; K2336-A2340 VanDerWaalsContact O-CB 3.31Å; K2336-A2340 WeakPolarHBondContact O-CB 3.36Å; K2336-A2340 PolarHBondContact O-N 3.06Å; K2336-V2374 HydrophobicContact CB-CG1 4.13Å; K2336-V2374 HydrophobicContact CB-CG2 4.39Å |
| 2337 | L | 87 | Confident | 81.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -48.5 | 176.4 | -78.6 | 164.5 | 0 | 0 | 0 | 111.7 | L2270 V2314 M2317 L2321 L2333 A2334 Q2335 H2339 A2340 T2341 L2371 V2374 L2375 | L2270-L2337 HydrophobicContact CD2-CD2 3.94Å; V2314-L2337 HydrophobicContact CG1-CB 4.26Å; V2314-L2337 HydrophobicContact CG1-CD2 4.48Å; V2314-L2337 HydrophobicContact CG2-CD2 4.14Å; M2317-L2337 HydrophobicContact CE-CD1 3.94Å; M2317-L2337 HydrophobicContact CG-CD1 4.23Å; M2317-L2337 HydrophobicContact SD-CD1 3.72Å; M2317-L2337 HydrophobicContact SD-CD2 4.38Å; L2321-L2337 HydrophobicContact CD1-CD1 3.93Å; L2333-L2337 HydrophobicContact CD1-CD1 4.31Å; L2333-L2337 HydrophobicContact CD1-CG 4.38Å; L2333-L2337 HydrophobicContact CG-CD1 4.17Å; L2333-L2337 HydrophobicContact CG-CG 4.5Å; L2333-L2337 WeakPolarHBondContact O-CB 3.35Å; L2333-L2337 WeakPolarHBondContact O-CG 3.4Å; L2333-L2337 PolarHBondContact O-N 3.09Å; A2334-L2337 WeakPolarHBondContact O-CB 3.23Å; A2334-L2337 PolarHBondContact O-N 3.19Å; Q2335-L2337 VanDerWaalsContact C-N 3.32Å; Q2335-L2337 PolarHBondContact O-N 3.1Å; L2337-H2339 VanDerWaalsContact C-N 3.34Å; L2337-H2339 PolarHBondContact O-N 2.96Å; L2337-A2340 PolarHBondContact O-N 2.98Å; L2337-T2341 WeakPolarHBondContact O-CB 3.35Å; L2337-T2341 PolarHBondContact O-N 3.32Å; L2337-T2341 PolarHBondContact O-OG1 3.1Å; L2337-T2341 VanDerWaalsContact O-OG1 3.08Å; L2337-L2371 HydrophobicContact CD2-CD1 3.94Å; L2337-V2374 HydrophobicContact CD2-CB 4.47Å; L2337-V2374 HydrophobicContact CD2-CG1 3.68Å; L2337-V2374 HydrophobicContact CG-CG1 3.97Å; L2337-L2375 HydrophobicContact CD2-CD2 4.3Å |
| 2338 | C | 89 | Confident | 83.4 | Confident | 4.2 Ų | 4.2 | 39.1 Ų | 39.1 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 176.2 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | L2237 A2334 Q2335 A2340 T2341 Q2342 | L2237-C2338 HydrophobicContact CB-CB 4.44Å; A2334-C2338 PolarHBondContact O-N 3.2Å; A2334-C2338 PolarHBondContact O-SG 3.12Å; A2334-C2338 VanDerWaalsContact O-SG 3.34Å; Q2335-C2338 PolarHBondContact O-N 3.1Å; C2338-A2340 PolarHBondContact O-N 3.39Å; C2338-T2341 PolarHBondContact O-N 3.04Å; C2338-Q2342 WeakPolarHBondContact O-CB 3.32Å; C2338-Q2342 VanDerWaalsContact O-CG 3.28Å; C2338-Q2342 WeakPolarHBondContact O-CG 3.38Å; C2338-Q2342 PolarHBondContact O-N 3.26Å; C2338-Q2342 PolarHBondContact O-OE1 3Å |
| 2339 | H | 89.1 | Confident | 84.8 | Confident | 99.8 Ų | 99.8 | 32.3 Ų | 32.3 | 46% | 0.462 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 180 | -74.2 | 72.9 | 0 | 0 | 0 | 112.4 | Q2335 K2336 L2337 T2341 Q2342 A2343 | Q2335-H2339 VanDerWaalsContact CG-CE1 3.44Å; Q2335-H2339 WeakPolarHBondContact CG-CE1 3.29Å; Q2335-H2339 WeakPolarHBondContact CG-ND1 3.2Å; Q2335-H2339 PolarHBondContact O-N 3.35Å; Q2335-H2339 PolarHBondContact O-ND1 3.11Å; K2336-H2339 PolarHBondContact O-N 3.15Å; L2337-H2339 VanDerWaalsContact C-N 3.34Å; L2337-H2339 PolarHBondContact O-N 2.96Å; H2339-T2341 VanDerWaalsContact C-N 3.32Å; H2339-T2341 PolarHBondContact O-N 3.19Å; H2339-Q2342 PolarHBondContact O-N 3.17Å; H2339-A2343 WeakPolarHBondContact O-CB 3.26Å; H2339-A2343 PolarHBondContact O-N 3.28Å |
| 2340 | A | 89.7 | Confident | 85.9 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 10% | 0.099 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K2336 L2337 C2338 A2343 I2344 L2371 | K2336-A2340 VanDerWaalsContact O-CB 3.31Å; K2336-A2340 WeakPolarHBondContact O-CB 3.36Å; K2336-A2340 PolarHBondContact O-N 3.06Å; L2337-A2340 PolarHBondContact O-N 2.98Å; C2338-A2340 PolarHBondContact O-N 3.39Å; A2340-A2343 PolarHBondContact O-N 3.09Å; A2340-I2344 VanDerWaalsContact O-CG1 3.32Å; A2340-I2344 WeakPolarHBondContact O-CG1 3.42Å; A2340-I2344 PolarHBondContact O-N 2.97Å; A2340-L2371 HydrophobicContact CB-CB 4.22Å; A2340-L2371 HydrophobicContact CB-CD1 4.07Å |
| 2341 | T | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 112.5 | L2237 F2307 M2310 V2314 L2337 C2338 H2339 I2344 G2345 | L2237-T2341 HydrophobicContact CD1-CG2 3.74Å; F2307-T2341 HydrophobicContact CE2-CG2 4.39Å; F2307-T2341 HydrophobicContact CZ-CG2 4.43Å; M2310-T2341 HydrophobicContact CE-CG2 4.26Å; V2314-T2341 HydrophobicContact CG2-CG2 4.32Å; V2314-T2341 VanDerWaalsContact CG2-OG1 3.3Å; V2314-T2341 WeakPolarHBondContact CG2-OG1 3.45Å; L2337-T2341 WeakPolarHBondContact O-CB 3.35Å; L2337-T2341 PolarHBondContact O-N 3.32Å; L2337-T2341 PolarHBondContact O-OG1 3.1Å; L2337-T2341 VanDerWaalsContact O-OG1 3.08Å; C2338-T2341 PolarHBondContact O-N 3.04Å; H2339-T2341 VanDerWaalsContact C-N 3.32Å; H2339-T2341 PolarHBondContact O-N 3.19Å; T2341-I2344 WeakPolarHBondContact O-CB 3.34Å; T2341-I2344 PolarHBondContact O-N 3.26Å; T2341-G2345 PolarHBondContact O-N 2.98Å |
| 2342 | Q | 91 | Very high | 87.5 | Confident | 34.8 Ų | 34.8 | 28.5 Ų | 28.5 | 16% | 0.163 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 173.7 | -72.8 | 170.6 | -30.6 | 0 | 0 | 112 | C2234 L2237 D2238 C2338 H2339 I2344 G2345 A2346 | C2234-Q2342 HydrophobicContact CB-CG 4.31Å; C2234-Q2342 PolarHBondContact O-NE2 3.07Å; L2237-Q2342 HydrophobicContact CB-CG 4.32Å; L2237-Q2342 HydrophobicContact CD1-CG 3.96Å; D2238-Q2342 VanDerWaalsContact CG-NE2 3.32Å; D2238-Q2342 PolarHBondContact OD1-NE2 3.22Å; D2238-Q2342 PolarHBondContact OD2-NE2 3.16Å; C2338-Q2342 WeakPolarHBondContact O-CB 3.32Å; C2338-Q2342 VanDerWaalsContact O-CG 3.28Å; C2338-Q2342 WeakPolarHBondContact O-CG 3.38Å; C2338-Q2342 PolarHBondContact O-N 3.26Å; C2338-Q2342 PolarHBondContact O-OE1 3Å; H2339-Q2342 PolarHBondContact O-N 3.17Å; Q2342-I2344 VanDerWaalsContact C-N 3.31Å; Q2342-I2344 PolarHBondContact O-N 3.35Å; Q2342-G2345 PolarHBondContact O-N 3.25Å; Q2342-G2345 VanDerWaalsContact O-N 3.13Å; Q2342-A2346 PolarHBondContact O-N 3.13Å |
| 2343 | A | 91.1 | Very high | 87.8 | Confident | 32.6 Ų | 32.6 | 33.1 Ų | 33.1 | 27% | 0.269 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H2339 A2340 A2347 R2367 | H2339-A2343 WeakPolarHBondContact O-CB 3.26Å; H2339-A2343 PolarHBondContact O-N 3.28Å; A2340-A2343 PolarHBondContact O-N 3.09Å; A2343-A2347 WeakPolarHBondContact O-CB 3.28Å; A2343-A2347 PolarHBondContact O-N 3.31Å; A2343-A2347 VanDerWaalsContact O-N 3.07Å; A2343-R2367 HydrophobicContact CB-CG 4.29Å |
| 2344 | I | 91.5 | Very high | 88 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 170.7 | -66.5 | 162.8 | 0 | 0 | 0 | 110.7 | L2277 F2307 M2310 A2340 T2341 Q2342 A2346 A2347 S2348 L2364 R2367 L2368 L2371 | L2277-I2344 HydrophobicContact CD2-CG2 3.95Å; F2307-I2344 HydrophobicContact CD2-CG2 4.07Å; F2307-I2344 HydrophobicContact CE2-CB 4.26Å; F2307-I2344 HydrophobicContact CE2-CG2 3.87Å; M2310-I2344 HydrophobicContact CE-CB 4.47Å; M2310-I2344 HydrophobicContact CE-CD1 4.17Å; M2310-I2344 HydrophobicContact CE-CG2 4.03Å; A2340-I2344 VanDerWaalsContact O-CG1 3.32Å; A2340-I2344 WeakPolarHBondContact O-CG1 3.42Å; A2340-I2344 PolarHBondContact O-N 2.97Å; T2341-I2344 WeakPolarHBondContact O-CB 3.34Å; T2341-I2344 PolarHBondContact O-N 3.26Å; Q2342-I2344 VanDerWaalsContact C-N 3.31Å; Q2342-I2344 PolarHBondContact O-N 3.35Å; I2344-A2346 PolarHBondContact O-N 3.09Å; I2344-A2347 CarbonylContact O-C 3.6Å; I2344-A2347 PolarHBondContact O-N 3.01Å; I2344-S2348 VanDerWaalsContact O-CB 3.3Å; I2344-S2348 WeakPolarHBondContact O-CB 3.34Å; I2344-S2348 PolarHBondContact O-N 3.14Å; I2344-S2348 PolarHBondContact O-OG 3.08Å; I2344-L2364 HydrophobicContact CG2-CD1 3.86Å; I2344-R2367 HydrophobicContact CG1-CB 3.68Å; I2344-R2367 WeakPolarHBondContact CG1-O 3.43Å; I2344-L2368 HydrophobicContact CD1-CD2 4.02Å; I2344-L2368 HydrophobicContact CD1-CG 4.5Å; I2344-L2368 HydrophobicContact CG1-CD2 4.42Å; I2344-L2368 HydrophobicContact CG1-CG 4.47Å; I2344-L2368 HydrophobicContact CG2-CD2 4.3Å; I2344-L2371 HydrophobicContact CD1-CB 3.69Å; I2344-L2371 HydrophobicContact CD1-CD2 3.55Å; I2344-L2371 VanDerWaalsContact CD1-CD2 3.48Å; I2344-L2371 HydrophobicContact CD1-CG 4.21Å |
| 2345 | G | 90.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I2230 F2307 T2341 Q2342 S2348 S2349 | I2230-G2345 VanDerWaalsContact CG2-O 3.3Å; I2230-G2345 WeakPolarHBondContact CG2-O 3.31Å; F2307-G2345 VanDerWaalsContact CE2-CA 3.49Å; T2341-G2345 PolarHBondContact O-N 2.98Å; Q2342-G2345 PolarHBondContact O-N 3.25Å; Q2342-G2345 VanDerWaalsContact O-N 3.13Å; G2345-S2348 PolarHBondContact O-N 3.2Å; G2345-S2349 WeakPolarHBondContact O-CB 3.43Å; G2345-S2349 PolarHBondContact O-N 3.18Å; G2345-S2349 PolarHBondContact O-OG 3.11Å |
| 2346 | A | 90.2 | Very high | 87.6 | Confident | 60.4 Ų | 60.4 | 33.9 Ų | 33.9 | 50% | 0.499 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.7 | -47.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q2342 I2344 S2348 S2349 D2350 | Q2342-A2346 PolarHBondContact O-N 3.13Å; I2344-A2346 PolarHBondContact O-N 3.09Å; A2346-S2348 VanDerWaalsContact C-N 3.32Å; A2346-S2348 PolarHBondContact O-N 3.31Å; A2346-S2349 PolarHBondContact O-N 3.15Å; A2346-D2350 PolarHBondContact O-N 3.18Å; A2346-D2350 VanDerWaalsContact O-N 3.13Å |
| 2347 | A | 90.5 | Very high | 87.4 | Confident | 2.4 Ų | 2.4 | 33.2 Ų | 33.2 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A2343 I2344 D2350 F2351 L2364 R2367 | A2343-A2347 WeakPolarHBondContact O-CB 3.28Å; A2343-A2347 PolarHBondContact O-N 3.31Å; A2343-A2347 VanDerWaalsContact O-N 3.07Å; I2344-A2347 CarbonylContact O-C 3.6Å; I2344-A2347 PolarHBondContact O-N 3.01Å; A2347-D2350 PolarHBondContact O-N 3.21Å; A2347-F2351 VanDerWaalsContact O-CB 3.29Å; A2347-F2351 WeakPolarHBondContact O-CB 3.39Å; A2347-F2351 PolarHBondContact O-N 3.11Å; A2347-L2364 HydrophobicContact CB-CB 4.18Å; A2347-L2364 HydrophobicContact CB-CD1 4.06Å; A2347-R2367 HydrophobicContact CB-CG 4.2Å |
| 2348 | S | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.5 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | F2303 I2344 G2345 A2346 D2350 F2351 L2352 L2364 | F2303-S2348 WeakPolarHBondContact CZ-OG 3.47Å; I2344-S2348 VanDerWaalsContact O-CB 3.3Å; I2344-S2348 WeakPolarHBondContact O-CB 3.34Å; I2344-S2348 PolarHBondContact O-N 3.14Å; I2344-S2348 PolarHBondContact O-OG 3.08Å; G2345-S2348 PolarHBondContact O-N 3.2Å; A2346-S2348 VanDerWaalsContact C-N 3.32Å; A2346-S2348 PolarHBondContact O-N 3.31Å; S2348-D2350 VanDerWaalsContact C-N 3.29Å; S2348-D2350 PolarHBondContact O-N 2.95Å; S2348-F2351 PolarHBondContact O-N 3.15Å; S2348-L2352 WeakPolarHBondContact O-CB 3.27Å; S2348-L2352 VanDerWaalsContact O-CG 3.28Å; S2348-L2352 WeakPolarHBondContact O-CG 3.41Å; S2348-L2352 PolarHBondContact O-N 3.03Å; S2348-L2364 WeakPolarHBondContact OG-CD1 3.35Å |
| 2349 | S | 88.2 | Confident | 86.9 | Confident | 7.2 Ų | 7.2 | 41.5 Ų | 41.5 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -38.8 | 175.8 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | I2230 G2345 A2346 R2353 | I2230-S2349 VanDerWaalsContact CG2-OG 3.29Å; I2230-S2349 WeakPolarHBondContact CG2-OG 3.33Å; G2345-S2349 WeakPolarHBondContact O-CB 3.43Å; G2345-S2349 PolarHBondContact O-N 3.18Å; G2345-S2349 PolarHBondContact O-OG 3.11Å; A2346-S2349 PolarHBondContact O-N 3.15Å; S2349-R2353 VanDerWaalsContact O-CG 3.28Å; S2349-R2353 WeakPolarHBondContact O-CG 3.38Å; S2349-R2353 PolarHBondContact O-N 3.12Å; S2349-R2353 PolarHBondContact O-NH1 2.96Å |
| 2350 | D | 87.4 | Confident | 86.8 | Confident | 52.2 Ų | 52.2 | 40 Ų | 40 | 28% | 0.279 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71.9 | -37.9 | 175.6 | -94 | 16.8 | 0 | 0 | 0 | 113.5 | A2346 A2347 S2348 R2353 A2354 K2360 | A2346-D2350 PolarHBondContact O-N 3.18Å; A2346-D2350 VanDerWaalsContact O-N 3.13Å; A2347-D2350 PolarHBondContact O-N 3.21Å; S2348-D2350 VanDerWaalsContact C-N 3.29Å; S2348-D2350 PolarHBondContact O-N 2.95Å; D2350-R2353 PolarHBondContact O-N 3.14Å; D2350-R2353 IonicContact OD1-CZ 3.85Å; D2350-R2353 IonicContact OD1-NH1 3.13Å; D2350-R2353 PolarHBondContact OD1-NH1 3.07Å; D2350-R2353 VanDerWaalsContact OD1-NH1 3.15Å; D2350-A2354 PolarHBondContact O-N 3.11Å; D2350-K2360 HydrophobicContact CB-CD 4.14Å; D2350-K2360 IonicContact OD2-NZ 3.35Å; D2350-K2360 PolarHBondContact OD2-NZ 3.4Å |
| 2351 | F | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -48.1 | 173.9 | 165.4 | -112.1 | 0 | 0 | 0 | 111.2 | M2281 V2284 T2285 F2303 A2347 S2348 R2353 A2354 P2355 V2361 L2364 | M2281-F2351 HydrophobicContact CB-CE1 4.41Å; M2281-F2351 HydrophobicContact CB-CZ 4.49Å; M2281-F2351 HydrophobicContact CG-CD1 4.45Å; M2281-F2351 HydrophobicContact CG-CE1 4.06Å; M2281-F2351 HydrophobicContact CG-CE2 4.16Å; M2281-F2351 HydrophobicContact CG-CZ 3.86Å; M2281-F2351 WeakPolarHBondContact O-CZ 3.31Å; V2284-F2351 HydrophobicContact CB-CE1 4.01Å; V2284-F2351 HydrophobicContact CB-CZ 3.8Å; V2284-F2351 HydrophobicContact CG1-CE1 3.74Å; V2284-F2351 HydrophobicContact CG1-CZ 3.56Å; V2284-F2351 HydrophobicContact CG2-CE1 4.41Å; T2285-F2351 WeakPolarHBondContact OG1-CE2 3.39Å; F2303-F2351 HydrophobicContact CE1-CD1 4.36Å; F2303-F2351 HydrophobicContact CE2-CD1 4.38Å; F2303-F2351 HydrophobicContact CE2-CE1 4.29Å; F2303-F2351 AromaticContact CZ-CD1 3.82Å; F2303-F2351 HydrophobicContact CZ-CD1 4.07Å; F2303-F2351 HydrophobicContact CZ-CE1 4.32Å; A2347-F2351 VanDerWaalsContact O-CB 3.29Å; A2347-F2351 WeakPolarHBondContact O-CB 3.39Å; A2347-F2351 PolarHBondContact O-N 3.11Å; S2348-F2351 PolarHBondContact O-N 3.15Å; F2351-R2353 VanDerWaalsContact C-N 3.27Å; F2351-R2353 PolarHBondContact O-N 3.09Å; F2351-A2354 CarbonylContact O-C 3.5Å; F2351-A2354 PolarHBondContact O-N 3.08Å; F2351-P2355 HydrophobicContact CD2-CB 4.39Å; F2351-P2355 HydrophobicContact CE2-CB 3.95Å; F2351-P2355 HydrophobicContact CZ-CB 4.26Å; F2351-P2355 VanDerWaalsContact O-CA 3.29Å; F2351-P2355 WeakPolarHBondContact O-CA 3.34Å; F2351-P2355 VanDerWaalsContact O-CD 3.31Å; F2351-P2355 WeakPolarHBondContact O-CD 3.28Å; F2351-P2355 WeakPolarHBondContact O-CG 3.44Å; F2351-V2361 HydrophobicContact CD2-CG2 3.94Å; F2351-V2361 HydrophobicContact CE2-CG2 3.8Å; F2351-L2364 HydrophobicContact CB-CD2 3.94Å; F2351-L2364 HydrophobicContact CD1-CD2 3.74Å; F2351-L2364 HydrophobicContact CE1-CD2 4.41Å; F2351-L2364 HydrophobicContact CG-CD2 3.85Å |
| 2352 | L | 85.7 | Confident | 86.4 | Confident | 0.2 Ų | 0.2 | 43.9 Ų | 43.9 | 0% | 0.001 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -33 | 179.8 | -73.5 | 179.8 | 0 | 0 | 0 | 112.8 | L2223 I2230 I2300 F2303 V2304 S2348 A2354 | L2223-L2352 HydrophobicContact CD1-CB 4.08Å; L2223-L2352 WeakPolarHBondContact CD1-O 3.43Å; L2223-L2352 WeakPolarHBondContact CD2-O 3.33Å; I2230-L2352 HydrophobicContact CD1-CD1 3.6Å; I2300-L2352 HydrophobicContact CG1-CD2 4.32Å; I2300-L2352 HydrophobicContact CG2-CD1 4.43Å; I2300-L2352 HydrophobicContact CG2-CD2 3.96Å; F2303-L2352 HydrophobicContact CD1-CD1 4.2Å; F2303-L2352 HydrophobicContact CD1-CD2 4.02Å; F2303-L2352 HydrophobicContact CD1-CG 4.31Å; F2303-L2352 HydrophobicContact CE1-CD1 4.26Å; F2303-L2352 HydrophobicContact CE1-CD2 4.3Å; F2303-L2352 HydrophobicContact CE1-CG 4.21Å; V2304-L2352 HydrophobicContact CG2-CD1 3.9Å; S2348-L2352 WeakPolarHBondContact O-CB 3.27Å; S2348-L2352 VanDerWaalsContact O-CG 3.28Å; S2348-L2352 WeakPolarHBondContact O-CG 3.41Å; S2348-L2352 PolarHBondContact O-N 3.03Å; L2352-A2354 VanDerWaalsContact C-N 3.29Å; L2352-A2354 PolarHBondContact O-N 3.09Å |
| 2353 | R | 84.2 | Confident | 86.4 | Confident | 137 Ų | 137 | 45 Ų | 45 | 52% | 0.517 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -28 | 172.9 | -71.9 | 178.2 | -169.6 | 112.4 | 1.3 | 113.7 | L2223 I2227 S2349 D2350 F2351 | L2223-R2353 HydrophobicContact CD2-CG 4.34Å; I2227-R2353 HydrophobicContact CD1-CG 3.67Å; S2349-R2353 VanDerWaalsContact O-CG 3.28Å; S2349-R2353 WeakPolarHBondContact O-CG 3.38Å; S2349-R2353 PolarHBondContact O-N 3.12Å; S2349-R2353 PolarHBondContact O-NH1 2.96Å; D2350-R2353 PolarHBondContact O-N 3.14Å; D2350-R2353 IonicContact OD1-CZ 3.85Å; D2350-R2353 IonicContact OD1-NH1 3.13Å; D2350-R2353 PolarHBondContact OD1-NH1 3.07Å; D2350-R2353 VanDerWaalsContact OD1-NH1 3.15Å; F2351-R2353 VanDerWaalsContact C-N 3.27Å; F2351-R2353 PolarHBondContact O-N 3.09Å |
| 2354 | A | 81.9 | Confident | 86.3 | Confident | 28.2 Ų | 28.2 | 43.4 Ų | 43.4 | 23% | 0.233 | 23% | 0.234 | C | C | . | . | trans | -149.5 | 67.4 | -173 | 0 | 0 | 0 | 0 | 0 | 112.5 | D2350 F2351 L2352 L2356 H2357 K2360 | D2350-A2354 PolarHBondContact O-N 3.11Å; F2351-A2354 CarbonylContact O-C 3.5Å; F2351-A2354 PolarHBondContact O-N 3.08Å; L2352-A2354 VanDerWaalsContact C-N 3.29Å; L2352-A2354 PolarHBondContact O-N 3.09Å; A2354-L2356 PolarHBondContact O-N 3.09Å; A2354-L2356 VanDerWaalsContact O-N 3.14Å; A2354-H2357 HydrophobicContact CB-CB 4.31Å; A2354-H2357 PolarHBondContact O-N 3.24Å; A2354-H2357 VanDerWaalsContact O-N 3.14Å; A2354-K2360 HydrophobicContact CB-CG 4.39Å | ||
| 2355 | P | 79.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.8 | -168.2 | -24.2 | 35.8 | 0 | 0 | 0 | 114.8 | V2284 T2285 Y2288 F2351 H2357 V2361 | V2284-P2355 HydrophobicContact CG1-CB 4.25Å; V2284-P2355 HydrophobicContact CG1-CG 4.35Å; T2285-P2355 PolarHBondContact OG1-O 3.44Å; Y2288-P2355 HydrophobicContact CD1-CB 4.3Å; Y2288-P2355 HydrophobicContact CD1-CG 4Å; Y2288-P2355 HydrophobicContact CD2-CB 3.96Å; Y2288-P2355 HydrophobicContact CD2-CG 3.83Å; Y2288-P2355 HydrophobicContact CE1-CG 3.96Å; Y2288-P2355 HydrophobicContact CE2-CB 4.34Å; Y2288-P2355 HydrophobicContact CE2-CG 3.77Å; Y2288-P2355 HydrophobicContact CG-CB 3.89Å; Y2288-P2355 HydrophobicContact CG-CG 3.93Å; F2351-P2355 HydrophobicContact CD2-CB 4.39Å; F2351-P2355 HydrophobicContact CE2-CB 3.95Å; F2351-P2355 HydrophobicContact CZ-CB 4.26Å; F2351-P2355 VanDerWaalsContact O-CA 3.29Å; F2351-P2355 WeakPolarHBondContact O-CA 3.34Å; F2351-P2355 VanDerWaalsContact O-CD 3.31Å; F2351-P2355 WeakPolarHBondContact O-CD 3.28Å; F2351-P2355 WeakPolarHBondContact O-CG 3.44Å; P2355-H2357 VanDerWaalsContact C-N 3.34Å; P2355-V2361 WeakPolarHBondContact O-CG2 3.18Å |
| 2356 | L | 78.1 | Confident | 86.2 | Confident | 101.2 Ų | 101.2 | 48.1 Ų | 48.1 | 53% | 0.53 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.7 | -179.5 | -62.3 | 175.4 | 0 | 0 | 0 | 113.8 | A2289 A2354 S2358 | A2289-L2356 HydrophobicContact CB-CD2 3.84Å; A2354-L2356 PolarHBondContact O-N 3.09Å; A2354-L2356 VanDerWaalsContact O-N 3.14Å; L2356-S2358 PolarHBondContact O-N 3.04Å |
| 2357 | H | 82.3 | Confident | 86.2 | Confident | 114.8 Ų | 114.8 | 49.8 Ų | 49.8 | 53% | 0.531 | 26% | 0.256 | S | S | . | . | trans | -83.2 | 110.1 | -179.9 | -92.2 | -89.8 | 0 | 0 | 0 | 110.9 | A2354 P2355 D2359 K2360 V2361 | A2354-H2357 HydrophobicContact CB-CB 4.31Å; A2354-H2357 PolarHBondContact O-N 3.24Å; A2354-H2357 VanDerWaalsContact O-N 3.14Å; P2355-H2357 VanDerWaalsContact C-N 3.34Å; H2357-D2359 VanDerWaalsContact C-N 3.25Å; H2357-D2359 IonicContact CE1-OD2 2.74Å; H2357-D2359 PolarHBondContact CE1-OD2 2.97Å; H2357-D2359 IonicContact ND1-OD2 3.66Å; H2357-D2359 PolarHBondContact ND1-OD2 3.36Å; H2357-D2359 PolarHBondContact O-N 3Å; H2357-D2359 VanDerWaalsContact O-N 3.12Å; H2357-K2360 HydrophobicContact CB-CB 4.43Å; H2357-K2360 HydrophobicContact CB-CG 4.02Å; H2357-K2360 WeakPolarHBondContact O-CB 3.36Å; H2357-K2360 PolarHBondContact O-N 3.04Å; H2357-V2361 PolarHBondContact O-N 3.3Å | ||
| 2358 | S | 80.9 | Confident | 86.2 | Confident | 65.6 Ų | 65.6 | 50.1 Ų | 50.1 | 46% | 0.459 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -52.1 | -38 | -178.7 | 172.6 | 0 | 0 | 0 | 0 | 113 | L2356 K2360 V2361 N2362 | L2356-S2358 PolarHBondContact O-N 3.04Å; S2358-K2360 VanDerWaalsContact C-N 3.3Å; S2358-K2360 PolarHBondContact O-N 3.33Å; S2358-V2361 PolarHBondContact O-N 3.08Å; S2358-N2362 VanDerWaalsContact O-CB 3.27Å; S2358-N2362 WeakPolarHBondContact O-CB 3.31Å; S2358-N2362 PolarHBondContact O-N 3.05Å; S2358-N2362 PolarHBondContact O-ND2 3.04Å; S2358-N2362 VanDerWaalsContact O-ND2 3.13Å; S2358-N2362 PolarHBondContact OG-ND2 3.35Å; S2358-N2362 VanDerWaalsContact OG-ND2 3.1Å |
| 2359 | D | 84.6 | Confident | 86.1 | Confident | 112.8 Ų | 112.8 | 53.9 Ų | 53.9 | 60% | 0.603 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.7 | -36.7 | 177.8 | -58 | -33.3 | 0 | 0 | 0 | 113.1 | H2357 N2363 | H2357-D2359 VanDerWaalsContact C-N 3.25Å; H2357-D2359 IonicContact CE1-OD2 2.74Å; H2357-D2359 PolarHBondContact CE1-OD2 2.97Å; H2357-D2359 IonicContact ND1-OD2 3.66Å; H2357-D2359 PolarHBondContact ND1-OD2 3.36Å; H2357-D2359 PolarHBondContact O-N 3Å; H2357-D2359 VanDerWaalsContact O-N 3.12Å; D2359-N2363 VanDerWaalsContact O-CB 3.25Å; D2359-N2363 WeakPolarHBondContact O-CB 3.36Å; D2359-N2363 PolarHBondContact O-N 3.14Å |
| 2360 | K | 85.9 | Confident | 86.1 | Confident | 69 Ų | 69 | 56.5 Ų | 56.5 | 30% | 0.3 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.3 | -40.9 | 179.1 | -59.5 | -53.9 | -164 | 172.9 | 0 | 111.2 | D2350 A2354 H2357 S2358 N2363 L2364 | D2350-K2360 HydrophobicContact CB-CD 4.14Å; D2350-K2360 IonicContact OD2-NZ 3.35Å; D2350-K2360 PolarHBondContact OD2-NZ 3.4Å; A2354-K2360 HydrophobicContact CB-CG 4.39Å; H2357-K2360 HydrophobicContact CB-CB 4.43Å; H2357-K2360 HydrophobicContact CB-CG 4.02Å; H2357-K2360 WeakPolarHBondContact O-CB 3.36Å; H2357-K2360 PolarHBondContact O-N 3.04Å; S2358-K2360 VanDerWaalsContact C-N 3.3Å; S2358-K2360 PolarHBondContact O-N 3.33Å; K2360-N2363 PolarHBondContact O-N 3.18Å; K2360-L2364 WeakPolarHBondContact O-CB 3.42Å; K2360-L2364 PolarHBondContact O-N 3.14Å |
| 2361 | V | 85.4 | Confident | 86.2 | Confident | 18.2 Ų | 18.2 | 54 Ų | 54 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | M2281 T2285 F2351 P2355 H2357 S2358 N2363 L2364 N2365 L3111 | M2281-V2361 HydrophobicContact CE-CG1 3.72Å; M2281-V2361 VanDerWaalsContact CE-CG1 3.48Å; M2281-V2361 HydrophobicContact CG-CG1 4.3Å; M2281-V2361 HydrophobicContact SD-CG1 3.97Å; T2285-V2361 HydrophobicContact CG2-CG2 4.38Å; F2351-V2361 HydrophobicContact CD2-CG2 3.94Å; F2351-V2361 HydrophobicContact CE2-CG2 3.8Å; P2355-V2361 WeakPolarHBondContact O-CG2 3.18Å; H2357-V2361 PolarHBondContact O-N 3.3Å; S2358-V2361 PolarHBondContact O-N 3.08Å; V2361-N2363 PolarHBondContact O-N 3.13Å; V2361-L2364 PolarHBondContact O-N 3.26Å; V2361-N2365 VanDerWaalsContact O-CB 3.29Å; V2361-N2365 WeakPolarHBondContact O-CB 3.28Å; V2361-N2365 PolarHBondContact O-N 3Å; V2361-L3111 HydrophobicContact CB-CD2 3.88Å; V2361-L3111 HydrophobicContact CG1-CD2 3.6Å |
| 2362 | N | 87.4 | Confident | 85.9 | Confident | 74.6 Ų | 74.6 | 57.5 Ų | 57.5 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 178.8 | -70 | -26.7 | 0 | 0 | 0 | 112 | S2358 N2365 S2366 L3111 | S2358-N2362 VanDerWaalsContact O-CB 3.27Å; S2358-N2362 WeakPolarHBondContact O-CB 3.31Å; S2358-N2362 PolarHBondContact O-N 3.05Å; S2358-N2362 PolarHBondContact O-ND2 3.04Å; S2358-N2362 VanDerWaalsContact O-ND2 3.13Å; S2358-N2362 PolarHBondContact OG-ND2 3.35Å; S2358-N2362 VanDerWaalsContact OG-ND2 3.1Å; N2362-N2365 PolarHBondContact O-N 3.11Å; N2362-S2366 WeakPolarHBondContact O-CB 3.41Å; N2362-S2366 PolarHBondContact O-N 3.25Å; N2362-L3111 WeakPolarHBondContact OD1-CB 3.36Å; N2362-L3111 WeakPolarHBondContact OD1-CD2 3.27Å |
| 2363 | N | 89.5 | Confident | 85.9 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 174.9 | -177.3 | 37.3 | 0 | 0 | 0 | 111.4 | D2359 K2360 V2361 N2365 S2366 R2367 | D2359-N2363 VanDerWaalsContact O-CB 3.25Å; D2359-N2363 WeakPolarHBondContact O-CB 3.36Å; D2359-N2363 PolarHBondContact O-N 3.14Å; K2360-N2363 PolarHBondContact O-N 3.18Å; V2361-N2363 PolarHBondContact O-N 3.13Å; N2363-N2365 VanDerWaalsContact C-N 3.33Å; N2363-N2365 PolarHBondContact O-N 3.2Å; N2363-S2366 WeakPolarHBondContact O-CB 3.35Å; N2363-S2366 PolarHBondContact O-N 3.23Å; N2363-S2366 VanDerWaalsContact O-N 3.14Å; N2363-R2367 WeakPolarHBondContact O-CG 3.35Å; N2363-R2367 PolarHBondContact O-N 3.17Å |
| 2364 | L | 90.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.6 | 177.8 | 56.2 | 0 | 0 | 0 | 111.6 | M2281 F2303 I2344 A2347 S2348 F2351 K2360 V2361 S2366 R2367 L2368 | M2281-L2364 HydrophobicContact CB-CD2 4.27Å; M2281-L2364 HydrophobicContact CG-CD2 3.72Å; M2281-L2364 HydrophobicContact CG-CG 4.44Å; M2281-L2364 HydrophobicContact SD-CB 3.96Å; M2281-L2364 HydrophobicContact SD-CD2 3.61Å; M2281-L2364 VanDerWaalsContact SD-CD2 3.58Å; M2281-L2364 HydrophobicContact SD-CG 3.7Å; F2303-L2364 HydrophobicContact CE2-CD2 4.21Å; F2303-L2364 HydrophobicContact CZ-CD2 3.83Å; I2344-L2364 HydrophobicContact CG2-CD1 3.86Å; A2347-L2364 HydrophobicContact CB-CB 4.18Å; A2347-L2364 HydrophobicContact CB-CD1 4.06Å; S2348-L2364 WeakPolarHBondContact OG-CD1 3.35Å; F2351-L2364 HydrophobicContact CB-CD2 3.94Å; F2351-L2364 HydrophobicContact CD1-CD2 3.74Å; F2351-L2364 HydrophobicContact CE1-CD2 4.41Å; F2351-L2364 HydrophobicContact CG-CD2 3.85Å; K2360-L2364 WeakPolarHBondContact O-CB 3.42Å; K2360-L2364 PolarHBondContact O-N 3.14Å; V2361-L2364 PolarHBondContact O-N 3.26Å; L2364-S2366 VanDerWaalsContact C-N 3.34Å; L2364-S2366 PolarHBondContact O-N 3.03Å; L2364-R2367 PolarHBondContact O-N 3.16Å; L2364-R2367 VanDerWaalsContact O-N 3.16Å; L2364-L2368 HydrophobicContact CD1-CD1 4.37Å; L2364-L2368 HydrophobicContact CD1-CG 4.38Å; L2364-L2368 HydrophobicContact CG-CD1 4.26Å; L2364-L2368 WeakPolarHBondContact O-CG 3.31Å; L2364-L2368 PolarHBondContact O-N 3.18Å |
| 2365 | N | 89.4 | Confident | 85.7 | Confident | 45.6 Ų | 45.6 | 54 Ų | 54 | 24% | 0.244 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 175.1 | -161.5 | 21.8 | 0 | 0 | 0 | 112 | M2281 V2361 N2362 N2363 R2367 L2368 N2369 | M2281-N2365 HydrophobicContact CE-CB 4.2Å; M2281-N2365 HydrophobicContact SD-CB 4.47Å; V2361-N2365 VanDerWaalsContact O-CB 3.29Å; V2361-N2365 WeakPolarHBondContact O-CB 3.28Å; V2361-N2365 PolarHBondContact O-N 3Å; N2362-N2365 PolarHBondContact O-N 3.11Å; N2363-N2365 VanDerWaalsContact C-N 3.33Å; N2363-N2365 PolarHBondContact O-N 3.2Å; N2365-R2367 VanDerWaalsContact C-N 3.34Å; N2365-R2367 PolarHBondContact O-N 3.26Å; N2365-L2368 PolarHBondContact O-N 3.21Å; N2365-N2369 WeakPolarHBondContact O-CB 3.47Å; N2365-N2369 VanDerWaalsContact O-CG 3.27Å; N2365-N2369 PolarHBondContact O-N 3.02Å; N2365-N2369 PolarHBondContact O-ND2 3.11Å; N2365-N2369 VanDerWaalsContact O-ND2 3.11Å; N2365-N2369 PolarHBondContact OD1-ND2 3.36Å |
| 2366 | S | 90.2 | Very high | 85.5 | Confident | 54.6 Ų | 54.6 | 57 Ų | 57 | 38% | 0.382 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 173.5 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | N2362 N2363 L2364 N2369 D2370 | N2362-S2366 WeakPolarHBondContact O-CB 3.41Å; N2362-S2366 PolarHBondContact O-N 3.25Å; N2363-S2366 WeakPolarHBondContact O-CB 3.35Å; N2363-S2366 PolarHBondContact O-N 3.23Å; N2363-S2366 VanDerWaalsContact O-N 3.14Å; L2364-S2366 VanDerWaalsContact C-N 3.34Å; L2364-S2366 PolarHBondContact O-N 3.03Å; S2366-N2369 CarbonylContact O-C 3.6Å; S2366-N2369 WeakPolarHBondContact O-CB 3.38Å; S2366-N2369 PolarHBondContact O-N 3.11Å; S2366-D2370 VanDerWaalsContact O-CG 3.29Å; S2366-D2370 PolarHBondContact O-N 3.15Å |
| 2367 | R | 90.4 | Very high | 85.2 | Confident | 95.2 Ų | 95.2 | 56.1 Ų | 56.1 | 36% | 0.359 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.8 | -33 | 178.7 | -60.1 | -49 | 173.4 | -175.1 | -0.5 | 113.3 | A2343 I2344 A2347 N2363 L2364 N2365 N2369 D2370 L2371 | A2343-R2367 HydrophobicContact CB-CG 4.29Å; I2344-R2367 HydrophobicContact CG1-CB 3.68Å; I2344-R2367 WeakPolarHBondContact CG1-O 3.43Å; A2347-R2367 HydrophobicContact CB-CG 4.2Å; N2363-R2367 WeakPolarHBondContact O-CG 3.35Å; N2363-R2367 PolarHBondContact O-N 3.17Å; L2364-R2367 PolarHBondContact O-N 3.16Å; L2364-R2367 VanDerWaalsContact O-N 3.16Å; N2365-R2367 VanDerWaalsContact C-N 3.34Å; N2365-R2367 PolarHBondContact O-N 3.26Å; R2367-N2369 VanDerWaalsContact C-N 3.32Å; R2367-D2370 VanDerWaalsContact CD-OD2 3.3Å; R2367-D2370 WeakPolarHBondContact CD-OD2 3.31Å; R2367-D2370 IonicContact CZ-OD2 3.55Å; R2367-D2370 IonicContact NE-OD2 3.42Å; R2367-D2370 IonicContact NH1-OD2 2.8Å; R2367-D2370 PolarHBondContact NH1-OD2 3.24Å; R2367-D2370 WeakPolarHBondContact O-CB 3.27Å; R2367-D2370 PolarHBondContact O-N 3.05Å; R2367-L2371 PolarHBondContact O-N 3.31Å |
| 2368 | L | 90.3 | Very high | 84.4 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 169.5 | -74.6 | 165.5 | 0 | 0 | 0 | 111.6 | L2277 M2281 I2344 L2364 N2365 L2371 K2372 | L2277-L2368 HydrophobicContact CB-CD2 4.45Å; L2277-L2368 HydrophobicContact CD2-CD2 4.16Å; L2277-L2368 HydrophobicContact CG-CD2 4.45Å; M2281-L2368 HydrophobicContact SD-CD1 4.42Å; I2344-L2368 HydrophobicContact CD1-CD2 4.02Å; I2344-L2368 HydrophobicContact CD1-CG 4.5Å; I2344-L2368 HydrophobicContact CG1-CD2 4.42Å; I2344-L2368 HydrophobicContact CG1-CG 4.47Å; I2344-L2368 HydrophobicContact CG2-CD2 4.3Å; L2364-L2368 HydrophobicContact CD1-CD1 4.37Å; L2364-L2368 HydrophobicContact CD1-CG 4.38Å; L2364-L2368 HydrophobicContact CG-CD1 4.26Å; L2364-L2368 WeakPolarHBondContact O-CG 3.31Å; L2364-L2368 PolarHBondContact O-N 3.18Å; N2365-L2368 PolarHBondContact O-N 3.21Å; L2368-L2371 PolarHBondContact O-N 2.98Å; L2368-K2372 WeakPolarHBondContact O-CB 3.43Å; L2368-K2372 PolarHBondContact O-N 3.04Å |
| 2369 | N | 87.9 | Confident | 84 | Confident | 80.2 Ų | 80.2 | 48.2 Ų | 48.2 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.7 | -36.2 | 173.3 | -72.9 | -49.6 | 0 | 0 | 0 | 112.6 | N2365 S2366 R2367 K2372 A2373 | N2365-N2369 WeakPolarHBondContact O-CB 3.47Å; N2365-N2369 VanDerWaalsContact O-CG 3.27Å; N2365-N2369 PolarHBondContact O-N 3.02Å; N2365-N2369 PolarHBondContact O-ND2 3.11Å; N2365-N2369 VanDerWaalsContact O-ND2 3.11Å; N2365-N2369 PolarHBondContact OD1-ND2 3.36Å; S2366-N2369 CarbonylContact O-C 3.6Å; S2366-N2369 WeakPolarHBondContact O-CB 3.38Å; S2366-N2369 PolarHBondContact O-N 3.11Å; R2367-N2369 VanDerWaalsContact C-N 3.32Å; N2369-K2372 WeakPolarHBondContact O-CB 3.38Å; N2369-K2372 PolarHBondContact O-N 3Å; N2369-A2373 WeakPolarHBondContact O-CB 3.15Å; N2369-A2373 PolarHBondContact O-N 3.05Å |
| 2370 | D | 88.5 | Confident | 83.6 | Confident | 62.6 Ų | 62.6 | 49.4 Ų | 49.4 | 34% | 0.335 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 172.2 | -65.9 | -23.3 | 0 | 0 | 0 | 110.9 | S2366 R2367 K2372 A2373 V2374 | S2366-D2370 VanDerWaalsContact O-CG 3.29Å; S2366-D2370 PolarHBondContact O-N 3.15Å; R2367-D2370 VanDerWaalsContact CD-OD2 3.3Å; R2367-D2370 WeakPolarHBondContact CD-OD2 3.31Å; R2367-D2370 IonicContact CZ-OD2 3.55Å; R2367-D2370 IonicContact NE-OD2 3.42Å; R2367-D2370 IonicContact NH1-OD2 2.8Å; R2367-D2370 PolarHBondContact NH1-OD2 3.24Å; R2367-D2370 WeakPolarHBondContact O-CB 3.27Å; R2367-D2370 PolarHBondContact O-N 3.05Å; D2370-K2372 VanDerWaalsContact C-N 3.33Å; D2370-K2372 PolarHBondContact O-N 3.11Å; D2370-A2373 WeakPolarHBondContact O-CB 3.32Å; D2370-A2373 PolarHBondContact O-N 3.3Å; D2370-A2373 VanDerWaalsContact O-N 3.17Å; D2370-V2374 WeakPolarHBondContact O-CG2 3.41Å; D2370-V2374 PolarHBondContact O-N 3.14Å; D2370-V2374 VanDerWaalsContact O-N 3.09Å |
| 2371 | L | 89.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.1 | 176.8 | 64.9 | 0 | 0 | 0 | 111.5 | L2270 M2310 L2337 A2340 I2344 R2367 L2368 A2373 V2374 L2375 | L2270-L2371 HydrophobicContact CD1-CD2 4.33Å; M2310-L2371 HydrophobicContact CE-CD2 4.33Å; M2310-L2371 HydrophobicContact SD-CD2 3.95Å; L2337-L2371 HydrophobicContact CD2-CD1 3.94Å; A2340-L2371 HydrophobicContact CB-CB 4.22Å; A2340-L2371 HydrophobicContact CB-CD1 4.07Å; I2344-L2371 HydrophobicContact CD1-CB 3.69Å; I2344-L2371 HydrophobicContact CD1-CD2 3.55Å; I2344-L2371 VanDerWaalsContact CD1-CD2 3.48Å; I2344-L2371 HydrophobicContact CD1-CG 4.21Å; R2367-L2371 PolarHBondContact O-N 3.31Å; L2368-L2371 PolarHBondContact O-N 2.98Å; L2371-A2373 VanDerWaalsContact C-N 3.32Å; L2371-A2373 PolarHBondContact O-N 3.3Å; L2371-V2374 PolarHBondContact O-N 3.17Å; L2371-L2375 HydrophobicContact CD1-CD1 4.43Å; L2371-L2375 HydrophobicContact CG-CD1 4.25Å; L2371-L2375 WeakPolarHBondContact O-CB 3.44Å; L2371-L2375 WeakPolarHBondContact O-CG 3.39Å; L2371-L2375 PolarHBondContact O-N 3.02Å |
| 2372 | K | 83.7 | Confident | 82.7 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 32% | 0.317 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 175.4 | -174.5 | -178.8 | 176.1 | -174.9 | 0 | 111.7 | L2368 N2369 D2370 V2374 L2375 Q2376 D2383 | L2368-K2372 WeakPolarHBondContact O-CB 3.43Å; L2368-K2372 PolarHBondContact O-N 3.04Å; N2369-K2372 WeakPolarHBondContact O-CB 3.38Å; N2369-K2372 PolarHBondContact O-N 3Å; D2370-K2372 VanDerWaalsContact C-N 3.33Å; D2370-K2372 PolarHBondContact O-N 3.11Å; K2372-V2374 VanDerWaalsContact C-N 3.35Å; K2372-L2375 WeakPolarHBondContact O-CB 3.3Å; K2372-L2375 PolarHBondContact O-N 2.98Å; K2372-Q2376 HydrophobicContact CG-CG 4.39Å; K2372-Q2376 WeakPolarHBondContact O-CB 3.33Å; K2372-Q2376 VanDerWaalsContact O-CG 3.29Å; K2372-Q2376 WeakPolarHBondContact O-CG 3.31Å; K2372-Q2376 PolarHBondContact O-N 3.31Å; K2372-D2383 WeakPolarHBondContact CE-OD2 3.43Å; K2372-D2383 IonicContact NZ-OD2 2.74Å |
| 2373 | A | 84.5 | Confident | 82.2 | Confident | 55.6 Ų | 55.6 | 43.1 Ų | 43.1 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | N2369 D2370 L2371 L2375 Q2376 S2377 | N2369-A2373 WeakPolarHBondContact O-CB 3.15Å; N2369-A2373 PolarHBondContact O-N 3.05Å; D2370-A2373 WeakPolarHBondContact O-CB 3.32Å; D2370-A2373 PolarHBondContact O-N 3.3Å; D2370-A2373 VanDerWaalsContact O-N 3.17Å; L2371-A2373 VanDerWaalsContact C-N 3.32Å; L2371-A2373 PolarHBondContact O-N 3.3Å; A2373-L2375 VanDerWaalsContact C-N 3.34Å; A2373-L2375 PolarHBondContact O-N 3.31Å; A2373-Q2376 PolarHBondContact O-N 3.2Å; A2373-S2377 PolarHBondContact O-N 3.14Å; A2373-S2377 VanDerWaalsContact O-N 3.15Å |
| 2374 | V | 83.2 | Confident | 81.9 | Confident | 25.2 Ų | 25.2 | 41.4 Ų | 41.4 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 172.9 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | L2333 K2336 L2337 D2370 L2371 K2372 Q2376 S2377 | L2333-V2374 HydrophobicContact CD1-CG1 3.85Å; K2336-V2374 HydrophobicContact CB-CG1 4.13Å; K2336-V2374 HydrophobicContact CB-CG2 4.39Å; L2337-V2374 HydrophobicContact CD2-CB 4.47Å; L2337-V2374 HydrophobicContact CD2-CG1 3.68Å; L2337-V2374 HydrophobicContact CG-CG1 3.97Å; D2370-V2374 WeakPolarHBondContact O-CG2 3.41Å; D2370-V2374 PolarHBondContact O-N 3.14Å; D2370-V2374 VanDerWaalsContact O-N 3.09Å; L2371-V2374 PolarHBondContact O-N 3.17Å; K2372-V2374 VanDerWaalsContact C-N 3.35Å; V2374-Q2376 PolarHBondContact O-N 2.85Å; V2374-S2377 WeakPolarHBondContact O-CB 3.47Å; V2374-S2377 PolarHBondContact O-N 3.2Å; V2374-S2377 PolarHBondContact O-OG 3.21Å |
| 2375 | L | 78.9 | Confident | 81.7 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.9 | -74.3 | 168 | 0 | 0 | 0 | 112.9 | H2267 L2270 L2337 L2371 K2372 A2373 S2377 C2378 T2379 | H2267-L2375 PolarHBondContact NE2-O 3.25Å; L2270-L2375 HydrophobicContact CB-CD2 4.36Å; L2270-L2375 HydrophobicContact CD2-CD1 4.48Å; L2270-L2375 HydrophobicContact CD2-CD2 3.94Å; L2270-L2375 HydrophobicContact CD2-CG 4.41Å; L2270-L2375 HydrophobicContact CG-CD1 4.24Å; L2270-L2375 HydrophobicContact CG-CD2 4.13Å; L2337-L2375 HydrophobicContact CD2-CD2 4.3Å; L2371-L2375 HydrophobicContact CD1-CD1 4.43Å; L2371-L2375 HydrophobicContact CG-CD1 4.25Å; L2371-L2375 WeakPolarHBondContact O-CB 3.44Å; L2371-L2375 WeakPolarHBondContact O-CG 3.39Å; L2371-L2375 PolarHBondContact O-N 3.02Å; K2372-L2375 WeakPolarHBondContact O-CB 3.3Å; K2372-L2375 PolarHBondContact O-N 2.98Å; A2373-L2375 VanDerWaalsContact C-N 3.34Å; A2373-L2375 PolarHBondContact O-N 3.31Å; L2375-S2377 VanDerWaalsContact C-N 3.27Å; L2375-S2377 PolarHBondContact O-N 3.01Å; L2375-C2378 WeakPolarHBondContact O-CB 3.45Å; L2375-C2378 PolarHBondContact O-N 3.12Å; L2375-C2378 VanDerWaalsContact O-N 3.15Å; L2375-T2379 PolarHBondContact O-N 2.99Å |
| 2376 | Q | 75.1 | Confident | 81.3 | Confident | 73.6 Ų | 73.6 | 40.2 Ų | 40.2 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.3 | -27.7 | 178.2 | -77.9 | -179.2 | -22.1 | 0 | 0 | 112.7 | K2372 A2373 V2374 C2378 T2379 R2380 D2383 | K2372-Q2376 HydrophobicContact CG-CG 4.39Å; K2372-Q2376 WeakPolarHBondContact O-CB 3.33Å; K2372-Q2376 VanDerWaalsContact O-CG 3.29Å; K2372-Q2376 WeakPolarHBondContact O-CG 3.31Å; K2372-Q2376 PolarHBondContact O-N 3.31Å; A2373-Q2376 PolarHBondContact O-N 3.2Å; V2374-Q2376 PolarHBondContact O-N 2.85Å; Q2376-C2378 PolarHBondContact O-N 3.4Å; Q2376-C2378 VanDerWaalsContact O-N 3.11Å; Q2376-T2379 PolarHBondContact O-N 3.18Å; Q2376-R2380 PolarHBondContact O-N 3.32Å; Q2376-R2380 VanDerWaalsContact O-N 3.13Å; Q2376-D2383 HydrophobicContact CG-CB 4.19Å; Q2376-D2383 PolarHBondContact NE2-OD2 3.13Å |
| 2377 | S | 71 | Confident | 81 | Confident | 82.2 Ų | 82.2 | 39.3 Ų | 39.3 | 58% | 0.575 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.2 | -16.5 | 174.5 | 77.1 | 0 | 0 | 0 | 0 | 113.5 | A2373 V2374 L2375 | A2373-S2377 PolarHBondContact O-N 3.14Å; A2373-S2377 VanDerWaalsContact O-N 3.15Å; V2374-S2377 WeakPolarHBondContact O-CB 3.47Å; V2374-S2377 PolarHBondContact O-N 3.2Å; V2374-S2377 PolarHBondContact O-OG 3.21Å; L2375-S2377 VanDerWaalsContact C-N 3.27Å; L2375-S2377 PolarHBondContact O-N 3.01Å |
| 2378 | C | 66.9 | Low | 80.9 | Confident | 8.4 Ų | 8.4 | 34.8 Ų | 34.8 | 6% | 0.057 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -86.8 | -52.6 | 172.5 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | L2333 L2375 Q2376 Y2535 | L2333-C2378 VanDerWaalsContact CD2-SG 3.55Å; L2333-C2378 WeakPolarHBondContact CD2-SG 3.43Å; L2375-C2378 WeakPolarHBondContact O-CB 3.45Å; L2375-C2378 PolarHBondContact O-N 3.12Å; L2375-C2378 VanDerWaalsContact O-N 3.15Å; Q2376-C2378 PolarHBondContact O-N 3.4Å; Q2376-C2378 VanDerWaalsContact O-N 3.11Å; C2378-Y2535 HydrophobicContact CB-CE1 4.29Å; C2378-Y2535 HydrophobicContact CB-CE2 4.08Å; C2378-Y2535 WeakPolarHBondContact O-CD2 3.38Å; C2378-Y2535 VanDerWaalsContact O-CE2 3.27Å; C2378-Y2535 WeakPolarHBondContact O-CE2 3.43Å |
| 2379 | T | 72 | Confident | 80.8 | Confident | 6.4 Ų | 6.4 | 35 Ų | 35 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | trans | -144.3 | 74.1 | -167.8 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | H2267 L2375 Q2376 G2381 A2382 D2383 Y2535 | H2267-T2379 PolarHBondContact CE1-OG1 3.24Å; H2267-T2379 VanDerWaalsContact CE1-OG1 3.31Å; H2267-T2379 PolarHBondContact NE2-OG1 3.28Å; L2375-T2379 PolarHBondContact O-N 2.99Å; Q2376-T2379 PolarHBondContact O-N 3.18Å; T2379-G2381 VanDerWaalsContact C-N 3.3Å; T2379-G2381 PolarHBondContact O-N 3.03Å; T2379-A2382 PolarHBondContact O-N 3.12Å; T2379-A2382 VanDerWaalsContact O-N 3.14Å; T2379-D2383 PolarHBondContact O-N 3.13Å; T2379-D2383 VanDerWaalsContact O-N 3.16Å; T2379-Y2535 HydrophobicContact CG2-CD1 4.37Å; T2379-Y2535 HydrophobicContact CG2-CD2 4.17Å; T2379-Y2535 HydrophobicContact CG2-CG 3.89Å | ||
| 2380 | R | 75.4 | Confident | 80.7 | Confident | 137.2 Ų | 137.2 | 34.7 Ų | 34.7 | 52% | 0.518 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.5 | -39.8 | -179.3 | -172.7 | 172.7 | 174.9 | -159 | 5 | 113.7 | Q2376 D2383 A2384 D2464 | Q2376-R2380 PolarHBondContact O-N 3.32Å; Q2376-R2380 VanDerWaalsContact O-N 3.13Å; R2380-D2383 PolarHBondContact O-N 3.31Å; R2380-A2384 WeakPolarHBondContact O-CB 3.31Å; R2380-A2384 PolarHBondContact O-N 3.07Å; R2380-A2384 VanDerWaalsContact O-N 3.1Å; R2380-D2464 VanDerWaalsContact CD-OD1 3.26Å; R2380-D2464 WeakPolarHBondContact CD-OD1 3.44Å; R2380-D2464 IonicContact CZ-OD1 3.33Å; R2380-D2464 VanDerWaalsContact CZ-OD1 3.28Å; R2380-D2464 IonicContact CZ-OD2 3.29Å; R2380-D2464 IonicContact NE-OD1 3.59Å; R2380-D2464 VanDerWaalsContact NH1-CG 3.31Å; R2380-D2464 IonicContact NH1-OD1 3.1Å; R2380-D2464 PolarHBondContact NH1-OD1 3.05Å; R2380-D2464 IonicContact NH1-OD2 3.09Å; R2380-D2464 PolarHBondContact NH1-OD2 3.33Å; R2380-D2464 IonicContact NH2-OD2 3.57Å |
| 2381 | G | 76.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T2379 D2383 A2384 C2385 Q2463 | T2379-G2381 VanDerWaalsContact C-N 3.3Å; T2379-G2381 PolarHBondContact O-N 3.03Å; G2381-D2383 PolarHBondContact O-N 3.36Å; G2381-A2384 PolarHBondContact O-N 2.97Å; G2381-C2385 PolarHBondContact O-N 3.11Å; G2381-C2385 PolarHBondContact O-SG 3.14Å; G2381-C2385 VanDerWaalsContact O-SG 3.36Å; G2381-Q2463 VanDerWaalsContact CA-O 3.3Å; G2381-Q2463 WeakPolarHBondContact CA-O 3.37Å; G2381-Q2463 VanDerWaalsContact CA-OE1 3.31Å; G2381-Q2463 PolarHBondContact N-O 3.03Å |
| 2382 | A | 76.6 | Confident | 80.9 | Confident | 5.4 Ų | 5.4 | 34.7 Ų | 34.7 | 5% | 0.045 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T2379 T2386 K2528 S2531 | T2379-A2382 PolarHBondContact O-N 3.12Å; T2379-A2382 VanDerWaalsContact O-N 3.14Å; A2382-T2386 WeakPolarHBondContact O-CB 3.36Å; A2382-T2386 PolarHBondContact O-N 3.13Å; A2382-T2386 PolarHBondContact O-OG1 3.21Å; A2382-K2528 HydrophobicContact CB-CG 4.05Å; A2382-S2531 PolarHBondContact N-OG 3.42Å |
| 2383 | D | 77.4 | Confident | 81.2 | Confident | 24.4 Ų | 24.4 | 34.9 Ų | 34.9 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.8 | -37.8 | 175 | -171.9 | 52.3 | 0 | 0 | 0 | 111.9 | R2275 K2372 Q2376 T2379 R2380 G2381 T2386 T2387 | R2275-D2383 IonicContact CZ-OD1 3.26Å; R2275-D2383 IonicContact NH2-OD1 2.93Å; R2275-D2383 PolarHBondContact NH2-OD1 3.27Å; K2372-D2383 WeakPolarHBondContact CE-OD2 3.43Å; K2372-D2383 IonicContact NZ-OD2 2.74Å; Q2376-D2383 HydrophobicContact CG-CB 4.19Å; Q2376-D2383 PolarHBondContact NE2-OD2 3.13Å; T2379-D2383 PolarHBondContact O-N 3.13Å; T2379-D2383 VanDerWaalsContact O-N 3.16Å; R2380-D2383 PolarHBondContact O-N 3.31Å; G2381-D2383 PolarHBondContact O-N 3.36Å; D2383-T2386 PolarHBondContact O-N 3.17Å; D2383-T2387 VanDerWaalsContact O-CB 3.29Å; D2383-T2387 WeakPolarHBondContact O-CB 3.44Å; D2383-T2387 PolarHBondContact O-N 3.23Å; D2383-T2387 PolarHBondContact O-OG1 2.99Å |
| 2384 | A | 83.6 | Confident | 81.4 | Confident | 22.8 Ų | 22.8 | 38.7 Ų | 38.7 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | R2380 G2381 T2386 T2387 A2388 A2467 | R2380-A2384 WeakPolarHBondContact O-CB 3.31Å; R2380-A2384 PolarHBondContact O-N 3.07Å; R2380-A2384 VanDerWaalsContact O-N 3.1Å; G2381-A2384 PolarHBondContact O-N 2.97Å; A2384-T2386 PolarHBondContact O-N 3.16Å; A2384-T2387 VanDerWaalsContact O-CB 3.3Å; A2384-T2387 WeakPolarHBondContact O-CB 3.47Å; A2384-T2387 PolarHBondContact O-N 3.18Å; A2384-A2388 WeakPolarHBondContact O-CB 3.39Å; A2384-A2388 PolarHBondContact O-N 3.09Å; A2384-A2467 HydrophobicContact CB-CB 3.49Å; A2384-A2467 VanDerWaalsContact CB-CB 3.48Å |
| 2385 | C | 85.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | 171.5 | -72 | 0 | 0 | 0 | 0 | 111.5 | G2381 T2387 A2388 I2389 L2524 K2528 | G2381-C2385 PolarHBondContact O-N 3.11Å; G2381-C2385 PolarHBondContact O-SG 3.14Å; G2381-C2385 VanDerWaalsContact O-SG 3.36Å; C2385-T2387 VanDerWaalsContact C-N 3.3Å; C2385-T2387 PolarHBondContact O-N 3.23Å; C2385-A2388 PolarHBondContact O-N 3.11Å; C2385-A2388 VanDerWaalsContact O-N 3.15Å; C2385-I2389 WeakPolarHBondContact O-CB 3.41Å; C2385-I2389 VanDerWaalsContact O-CD1 3.3Å; C2385-I2389 WeakPolarHBondContact O-CD1 3.39Å; C2385-I2389 VanDerWaalsContact O-CG1 3.28Å; C2385-I2389 WeakPolarHBondContact O-CG1 3.27Å; C2385-I2389 PolarHBondContact O-N 3.09Å; C2385-L2524 HydrophobicContact CB-CD2 4.34Å; C2385-K2528 HydrophobicContact CB-CB 4.02Å |
| 2386 | T | 81.2 | Confident | 82.4 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 12% | 0.123 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 179 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | R2275 A2382 D2383 A2384 I2389 T2390 K2528 | R2275-T2386 VanDerWaalsContact NH1-CG2 3.33Å; A2382-T2386 WeakPolarHBondContact O-CB 3.36Å; A2382-T2386 PolarHBondContact O-N 3.13Å; A2382-T2386 PolarHBondContact O-OG1 3.21Å; D2383-T2386 PolarHBondContact O-N 3.17Å; A2384-T2386 PolarHBondContact O-N 3.16Å; T2386-I2389 PolarHBondContact O-N 3.08Å; T2386-T2390 WeakPolarHBondContact O-CG2 3.4Å; T2386-T2390 PolarHBondContact O-N 3.28Å; T2386-T2390 VanDerWaalsContact O-N 3.09Å; T2386-T2390 PolarHBondContact O-OG1 3Å; T2386-T2390 VanDerWaalsContact O-OG1 3.1Å; T2386-K2528 WeakPolarHBondContact OG1-CD 3.4Å; T2386-K2528 VanDerWaalsContact OG1-CE 3.3Å; T2386-K2528 WeakPolarHBondContact OG1-CE 3.28Å; T2386-K2528 PolarHBondContact OG1-NZ 2.96Å |
| 2387 | T | 83.9 | Confident | 82.9 | Confident | 35.4 Ų | 35.4 | 37.4 Ų | 37.4 | 22% | 0.217 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 174.8 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | D2383 A2384 C2385 I2389 T2390 K2391 L3226 | D2383-T2387 VanDerWaalsContact O-CB 3.29Å; D2383-T2387 WeakPolarHBondContact O-CB 3.44Å; D2383-T2387 PolarHBondContact O-N 3.23Å; D2383-T2387 PolarHBondContact O-OG1 2.99Å; A2384-T2387 VanDerWaalsContact O-CB 3.3Å; A2384-T2387 WeakPolarHBondContact O-CB 3.47Å; A2384-T2387 PolarHBondContact O-N 3.18Å; C2385-T2387 VanDerWaalsContact C-N 3.3Å; C2385-T2387 PolarHBondContact O-N 3.23Å; T2387-I2389 VanDerWaalsContact C-N 3.29Å; T2387-I2389 PolarHBondContact O-N 3.38Å; T2387-T2390 PolarHBondContact O-N 2.81Å; T2387-T2390 VanDerWaalsContact O-N 3.08Å; T2387-T2390 PolarHBondContact O-OG1 3.02Å; T2387-K2391 HydrophobicContact CG2-CD 4.45Å; T2387-K2391 VanDerWaalsContact O-CG 3.29Å; T2387-K2391 WeakPolarHBondContact O-CG 3.37Å; T2387-K2391 PolarHBondContact O-N 3.07Å; T2387-L3226 HydrophobicContact CG2-CD1 3.49Å; T2387-L3226 VanDerWaalsContact CG2-CD1 3.49Å; T2387-L3226 HydrophobicContact CG2-CD2 3.35Å; T2387-L3226 HydrophobicContact CG2-CG 4.03Å |
| 2388 | A | 88.7 | Confident | 83.8 | Confident | 0.2 Ų | 0.2 | 36.1 Ų | 36.1 | 0% | 0.002 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2384 C2385 T2390 K2391 L2392 A2470 F2474 L2524 | A2384-A2388 WeakPolarHBondContact O-CB 3.39Å; A2384-A2388 PolarHBondContact O-N 3.09Å; C2385-A2388 PolarHBondContact O-N 3.11Å; C2385-A2388 VanDerWaalsContact O-N 3.15Å; A2388-T2390 PolarHBondContact O-N 3.17Å; A2388-K2391 WeakPolarHBondContact O-CB 3.39Å; A2388-K2391 PolarHBondContact O-N 3.11Å; A2388-K2391 VanDerWaalsContact O-N 3.14Å; A2388-L2392 WeakPolarHBondContact O-CB 3.34Å; A2388-L2392 VanDerWaalsContact O-CG 3.28Å; A2388-L2392 WeakPolarHBondContact O-CG 3.31Å; A2388-L2392 PolarHBondContact O-N 3.35Å; A2388-A2470 HydrophobicContact CB-CB 4.29Å; A2388-F2474 HydrophobicContact CB-CB 4.29Å; A2388-L2524 HydrophobicContact CB-CD1 3.84Å |
| 2389 | I | 88.2 | Confident | 84.9 | Confident | 12.2 Ų | 12.2 | 35.8 Ų | 35.8 | 6% | 0.063 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -48.7 | 177.6 | -71.4 | 154.8 | 0 | 0 | 0 | 111.8 | C2385 T2386 T2387 K2391 L2392 N2393 V2521 L2524 N2525 | C2385-I2389 WeakPolarHBondContact O-CB 3.41Å; C2385-I2389 VanDerWaalsContact O-CD1 3.3Å; C2385-I2389 WeakPolarHBondContact O-CD1 3.39Å; C2385-I2389 VanDerWaalsContact O-CG1 3.28Å; C2385-I2389 WeakPolarHBondContact O-CG1 3.27Å; C2385-I2389 PolarHBondContact O-N 3.09Å; T2386-I2389 PolarHBondContact O-N 3.08Å; T2387-I2389 VanDerWaalsContact C-N 3.29Å; T2387-I2389 PolarHBondContact O-N 3.38Å; I2389-K2391 VanDerWaalsContact C-N 3.28Å; I2389-K2391 PolarHBondContact O-N 3.22Å; I2389-L2392 PolarHBondContact O-N 3.09Å; I2389-L2392 VanDerWaalsContact O-N 3.14Å; I2389-N2393 WeakPolarHBondContact O-CB 3.36Å; I2389-N2393 PolarHBondContact O-N 3.12Å; I2389-N2393 PolarHBondContact O-ND2 3.03Å; I2389-V2521 HydrophobicContact CG2-CG1 4.05Å; I2389-L2524 HydrophobicContact CD1-CB 3.89Å; I2389-L2524 HydrophobicContact CG1-CB 3.61Å; I2389-L2524 HydrophobicContact CG1-CD1 4.33Å; I2389-N2525 WeakPolarHBondContact CD1-OD1 3.36Å |
| 2390 | T | 85.2 | Confident | 85.7 | Confident | 74.2 Ų | 74.2 | 38.8 Ų | 38.8 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 179.4 | 54.6 | 0 | 0 | 0 | 0 | 112 | T2386 T2387 A2388 R2394 | T2386-T2390 WeakPolarHBondContact O-CG2 3.4Å; T2386-T2390 PolarHBondContact O-N 3.28Å; T2386-T2390 VanDerWaalsContact O-N 3.09Å; T2386-T2390 PolarHBondContact O-OG1 3Å; T2386-T2390 VanDerWaalsContact O-OG1 3.1Å; T2387-T2390 PolarHBondContact O-N 2.81Å; T2387-T2390 VanDerWaalsContact O-N 3.08Å; T2387-T2390 PolarHBondContact O-OG1 3.02Å; A2388-T2390 PolarHBondContact O-N 3.17Å; T2390-R2394 PolarHBondContact O-N 3.19Å |
| 2391 | K | 88.8 | Confident | 86.2 | Confident | 62.8 Ų | 62.8 | 34.8 Ų | 34.8 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71 | -39.9 | 175.7 | -57.1 | 177.4 | 172.9 | 179.2 | 0 | 112.7 | T2387 A2388 I2389 N2393 R2394 L2395 F2474 Q3223 D3227 | T2387-K2391 HydrophobicContact CG2-CD 4.45Å; T2387-K2391 VanDerWaalsContact O-CG 3.29Å; T2387-K2391 WeakPolarHBondContact O-CG 3.37Å; T2387-K2391 PolarHBondContact O-N 3.07Å; A2388-K2391 WeakPolarHBondContact O-CB 3.39Å; A2388-K2391 PolarHBondContact O-N 3.11Å; A2388-K2391 VanDerWaalsContact O-N 3.14Å; I2389-K2391 VanDerWaalsContact C-N 3.28Å; I2389-K2391 PolarHBondContact O-N 3.22Å; K2391-N2393 VanDerWaalsContact C-N 3.34Å; K2391-N2393 PolarHBondContact O-N 2.84Å; K2391-R2394 WeakPolarHBondContact O-CB 3.32Å; K2391-R2394 PolarHBondContact O-N 3.18Å; K2391-R2394 VanDerWaalsContact O-N 3.13Å; K2391-L2395 PolarHBondContact O-N 3.18Å; K2391-L2395 VanDerWaalsContact O-N 3.14Å; K2391-F2474 HydrophobicContact CB-CD2 3.54Å; K2391-F2474 HydrophobicContact CB-CE2 3.34Å; K2391-F2474 HydrophobicContact CB-CG 4.32Å; K2391-F2474 HydrophobicContact CB-CZ 3.95Å; K2391-F2474 HydrophobicContact CD-CD1 3.95Å; K2391-F2474 HydrophobicContact CD-CD2 4.12Å; K2391-F2474 HydrophobicContact CD-CE1 3.77Å; K2391-F2474 HydrophobicContact CD-CE2 3.96Å; K2391-F2474 HydrophobicContact CD-CG 4.13Å; K2391-F2474 HydrophobicContact CD-CZ 3.77Å; K2391-F2474 HydrophobicContact CG-CD2 4.12Å; K2391-F2474 HydrophobicContact CG-CE2 4.23Å; K2391-F2474 HydrophobicContact CG-CG 4.36Å; K2391-F2474 HydrophobicContact CG-CZ 4.4Å; K2391-Q3223 VanDerWaalsContact CD-NE2 3.34Å; K2391-Q3223 VanDerWaalsContact CE-NE2 3.25Å; K2391-D3227 IonicContact NZ-OD1 2.82Å; K2391-D3227 PolarHBondContact NZ-OD1 3.49Å |
| 2392 | L | 92.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 176.1 | -70.3 | 173.9 | 0 | 0 | 0 | 111.8 | A2388 I2389 R2394 L2395 V2396 F2474 A2477 I2517 L2520 V2521 L2524 | A2388-L2392 WeakPolarHBondContact O-CB 3.34Å; A2388-L2392 VanDerWaalsContact O-CG 3.28Å; A2388-L2392 WeakPolarHBondContact O-CG 3.31Å; A2388-L2392 PolarHBondContact O-N 3.35Å; I2389-L2392 PolarHBondContact O-N 3.09Å; I2389-L2392 VanDerWaalsContact O-N 3.14Å; L2392-R2394 VanDerWaalsContact C-N 3.26Å; L2392-R2394 PolarHBondContact O-N 3.24Å; L2392-L2395 HydrophobicContact CD2-CD1 4.21Å; L2392-L2395 CarbonylContact O-C 3.57Å; L2392-L2395 WeakPolarHBondContact O-CA 3.21Å; L2392-L2395 WeakPolarHBondContact O-CB 3.25Å; L2392-L2395 PolarHBondContact O-N 3.31Å; L2392-V2396 WeakPolarHBondContact O-CG2 3.38Å; L2392-V2396 PolarHBondContact O-N 3.25Å; L2392-F2474 HydrophobicContact CD2-CD2 4.25Å; L2392-F2474 HydrophobicContact CG-CD2 4.42Å; L2392-A2477 HydrophobicContact CD2-CB 3.31Å; L2392-I2517 HydrophobicContact CB-CG2 4.12Å; L2392-I2517 HydrophobicContact CD2-CG2 4.05Å; L2392-L2520 HydrophobicContact CD1-CB 4.16Å; L2392-V2521 HydrophobicContact CB-CG2 3.5Å; L2392-V2521 VanDerWaalsContact CB-CG2 3.48Å; L2392-V2521 HydrophobicContact CD1-CG2 4.06Å; L2392-V2521 HydrophobicContact CG-CG2 4.44Å; L2392-L2524 HydrophobicContact CD1-CD1 3.42Å; L2392-L2524 VanDerWaalsContact CD1-CD1 3.42Å |
| 2393 | N | 89.9 | Confident | 87 | Confident | 76 Ų | 76 | 35.3 Ų | 35.3 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.2 | -33.4 | 173.8 | -76.7 | -22.1 | 0 | 0 | 0 | 112.1 | I2389 K2391 V2396 A2397 V2521 | I2389-N2393 WeakPolarHBondContact O-CB 3.36Å; I2389-N2393 PolarHBondContact O-N 3.12Å; I2389-N2393 PolarHBondContact O-ND2 3.03Å; K2391-N2393 VanDerWaalsContact C-N 3.34Å; K2391-N2393 PolarHBondContact O-N 2.84Å; N2393-V2396 WeakPolarHBondContact O-CB 3.42Å; N2393-V2396 PolarHBondContact O-N 3.07Å; N2393-A2397 PolarHBondContact O-N 3.04Å; N2393-A2397 VanDerWaalsContact O-N 3.08Å; N2393-V2521 WeakPolarHBondContact OD1-CG2 3.42Å |
| 2394 | R | 89 | Confident | 87.1 | Confident | 136.8 Ų | 136.8 | 37.9 Ų | 37.9 | 52% | 0.516 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 170.4 | -173.1 | 178.5 | 178.2 | 155.6 | 2.7 | 112 | T2390 K2391 L2392 V2396 A2397 D2398 E3116 A3220 | T2390-R2394 PolarHBondContact O-N 3.19Å; K2391-R2394 WeakPolarHBondContact O-CB 3.32Å; K2391-R2394 PolarHBondContact O-N 3.18Å; K2391-R2394 VanDerWaalsContact O-N 3.13Å; L2392-R2394 VanDerWaalsContact C-N 3.26Å; L2392-R2394 PolarHBondContact O-N 3.24Å; R2394-V2396 VanDerWaalsContact C-N 3.33Å; R2394-V2396 PolarHBondContact O-N 3.34Å; R2394-A2397 PolarHBondContact O-N 3.27Å; R2394-D2398 WeakPolarHBondContact O-CB 3.42Å; R2394-D2398 VanDerWaalsContact O-CG 3.25Å; R2394-D2398 PolarHBondContact O-N 3.05Å; R2394-E3116 IonicContact NH1-OE1 3.15Å; R2394-A3220 VanDerWaalsContact NH1-CB 3.31Å |
| 2395 | L | 91.8 | Very high | 87 | Confident | 17.8 Ų | 17.8 | 39.6 Ų | 39.6 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65 | -36.3 | 174.3 | -63.1 | 178.4 | 0 | 0 | 0 | 112.5 | K2391 L2392 D2398 L2399 F2474 A2477 T2481 I2517 | K2391-L2395 PolarHBondContact O-N 3.18Å; K2391-L2395 VanDerWaalsContact O-N 3.14Å; L2392-L2395 HydrophobicContact CD2-CD1 4.21Å; L2392-L2395 CarbonylContact O-C 3.57Å; L2392-L2395 WeakPolarHBondContact O-CA 3.21Å; L2392-L2395 WeakPolarHBondContact O-CB 3.25Å; L2392-L2395 PolarHBondContact O-N 3.31Å; L2395-D2398 PolarHBondContact O-N 3.05Å; L2395-L2399 WeakPolarHBondContact O-CB 3.42Å; L2395-L2399 WeakPolarHBondContact O-CG 3.38Å; L2395-L2399 PolarHBondContact O-N 3.09Å; L2395-F2474 HydrophobicContact CD1-CD2 4.43Å; L2395-F2474 HydrophobicContact CD1-CE2 4.18Å; L2395-A2477 HydrophobicContact CD1-CB 4.18Å; L2395-T2481 HydrophobicContact CD2-CG2 4.3Å; L2395-I2517 HydrophobicContact CB-CD1 4.07Å; L2395-I2517 HydrophobicContact CB-CG2 4.41Å; L2395-I2517 HydrophobicContact CD1-CD1 4.39Å |
| 2396 | V | 90.8 | Very high | 86.9 | Confident | 16.4 Ų | 16.4 | 39.6 Ų | 39.6 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 171.8 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | L2392 N2393 R2394 D2398 L2399 D2400 R2514 I2517 | L2392-V2396 WeakPolarHBondContact O-CG2 3.38Å; L2392-V2396 PolarHBondContact O-N 3.25Å; N2393-V2396 WeakPolarHBondContact O-CB 3.42Å; N2393-V2396 PolarHBondContact O-N 3.07Å; R2394-V2396 VanDerWaalsContact C-N 3.33Å; R2394-V2396 PolarHBondContact O-N 3.34Å; V2396-D2398 VanDerWaalsContact C-N 3.32Å; V2396-D2398 PolarHBondContact O-N 3.11Å; V2396-L2399 CarbonylContact O-C 3.58Å; V2396-L2399 PolarHBondContact O-N 3.24Å; V2396-L2399 VanDerWaalsContact O-N 3.11Å; V2396-D2400 WeakPolarHBondContact CG1-OD2 3.29Å; V2396-D2400 PolarHBondContact O-N 3.19Å; V2396-R2514 HydrophobicContact CG1-CG 4.02Å; V2396-I2517 HydrophobicContact CG2-CB 4.17Å; V2396-I2517 HydrophobicContact CG2-CG2 3.64Å |
| 2397 | A | 86 | Confident | 86.9 | Confident | 47.4 Ų | 47.4 | 43.9 Ų | 43.9 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.4 | -37.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N2393 R2394 L2399 D2400 T2401 | N2393-A2397 PolarHBondContact O-N 3.04Å; N2393-A2397 VanDerWaalsContact O-N 3.08Å; R2394-A2397 PolarHBondContact O-N 3.27Å; A2397-L2399 VanDerWaalsContact C-N 3.32Å; A2397-L2399 PolarHBondContact O-N 3.15Å; A2397-D2400 PolarHBondContact O-N 2.98Å; A2397-T2401 VanDerWaalsContact O-CB 3.25Å; A2397-T2401 WeakPolarHBondContact O-CB 3.44Å; A2397-T2401 PolarHBondContact O-N 3.26Å; A2397-T2401 PolarHBondContact O-OG1 3.27Å |
| 2398 | D | 89.6 | Confident | 86.5 | Confident | 54.6 Ų | 54.6 | 43.9 Ų | 43.9 | 29% | 0.292 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.8 | -34.4 | 174.6 | -89.7 | -0.2 | 0 | 0 | 0 | 112 | R2394 L2395 V2396 T2401 A2402 K2485 | R2394-D2398 WeakPolarHBondContact O-CB 3.42Å; R2394-D2398 VanDerWaalsContact O-CG 3.25Å; R2394-D2398 PolarHBondContact O-N 3.05Å; L2395-D2398 PolarHBondContact O-N 3.05Å; V2396-D2398 VanDerWaalsContact C-N 3.32Å; V2396-D2398 PolarHBondContact O-N 3.11Å; D2398-T2401 PolarHBondContact O-N 3.22Å; D2398-A2402 WeakPolarHBondContact O-CB 3.38Å; D2398-A2402 PolarHBondContact O-N 3.22Å; D2398-K2485 WeakPolarHBondContact O-CE 3.43Å; D2398-K2485 PolarHBondContact O-NZ 2.7Å; D2398-K2485 IonicContact OD2-NZ 2.72Å; D2398-K2485 PolarHBondContact OD2-NZ 3.38Å |
| 2399 | L | 90.1 | Very high | 85.8 | Confident | 0.8 Ų | 0.8 | 46.2 Ų | 46.2 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.1 | -40.4 | 175.1 | -77.4 | 171 | 0 | 0 | 0 | 112.5 | L2395 V2396 A2397 T2401 A2402 A2403 T2481 K2485 L2510 T2513 R2514 I2517 | L2395-L2399 WeakPolarHBondContact O-CB 3.42Å; L2395-L2399 WeakPolarHBondContact O-CG 3.38Å; L2395-L2399 PolarHBondContact O-N 3.09Å; V2396-L2399 CarbonylContact O-C 3.58Å; V2396-L2399 PolarHBondContact O-N 3.24Å; V2396-L2399 VanDerWaalsContact O-N 3.11Å; A2397-L2399 VanDerWaalsContact C-N 3.32Å; A2397-L2399 PolarHBondContact O-N 3.15Å; L2399-T2401 VanDerWaalsContact C-N 3.27Å; L2399-T2401 PolarHBondContact O-N 3.06Å; L2399-A2402 CarbonylContact O-C 3.59Å; L2399-A2402 WeakPolarHBondContact O-CA 3.3Å; L2399-A2402 PolarHBondContact O-N 3.13Å; L2399-A2402 VanDerWaalsContact O-N 3.16Å; L2399-A2403 WeakPolarHBondContact O-CB 3.27Å; L2399-A2403 PolarHBondContact O-N 3.15Å; L2399-T2481 HydrophobicContact CD1-CG2 4.39Å; L2399-T2481 HydrophobicContact CD2-CG2 4.01Å; L2399-T2481 HydrophobicContact CG-CG2 3.98Å; L2399-K2485 HydrophobicContact CD2-CG 4.41Å; L2399-L2510 HydrophobicContact CD2-CD2 3.82Å; L2399-T2513 HydrophobicContact CD1-CG2 3.81Å; L2399-T2513 HydrophobicContact CD2-CG2 4.32Å; L2399-R2514 HydrophobicContact CB-CB 4.09Å; L2399-R2514 HydrophobicContact CB-CG 4.41Å; L2399-R2514 HydrophobicContact CD1-CB 4.05Å; L2399-I2517 HydrophobicContact CD1-CD1 3.59Å; L2399-I2517 HydrophobicContact CD1-CG1 4.43Å |
| 2400 | D | 88.8 | Confident | 85.2 | Confident | 69.6 Ų | 69.6 | 47.8 Ų | 47.8 | 37% | 0.372 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 173.2 | -73.4 | -31.1 | 0 | 0 | 0 | 110.1 | V2396 A2397 A2403 L2404 R2514 | V2396-D2400 WeakPolarHBondContact CG1-OD2 3.29Å; V2396-D2400 PolarHBondContact O-N 3.19Å; A2397-D2400 PolarHBondContact O-N 2.98Å; D2400-A2403 PolarHBondContact O-N 3.03Å; D2400-L2404 WeakPolarHBondContact O-CB 3.45Å; D2400-L2404 WeakPolarHBondContact O-CG 3.31Å; D2400-L2404 PolarHBondContact O-N 3.19Å; D2400-R2514 WeakPolarHBondContact OD1-CG 3.43Å; D2400-R2514 IonicContact OD1-NE 3.08Å; D2400-R2514 PolarHBondContact OD1-NE 3.41Å; D2400-R2514 VanDerWaalsContact OD1-NE 3.11Å; D2400-R2514 IonicContact OD2-NE 2.67Å |
| 2401 | T | 85.1 | Confident | 84.7 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 174.1 | -56 | 0 | 0 | 0 | 0 | 111.8 | A2397 D2398 L2399 A2403 L2404 F2405 | A2397-T2401 VanDerWaalsContact O-CB 3.25Å; A2397-T2401 WeakPolarHBondContact O-CB 3.44Å; A2397-T2401 PolarHBondContact O-N 3.26Å; A2397-T2401 PolarHBondContact O-OG1 3.27Å; D2398-T2401 PolarHBondContact O-N 3.22Å; L2399-T2401 VanDerWaalsContact C-N 3.27Å; L2399-T2401 PolarHBondContact O-N 3.06Å; T2401-A2403 VanDerWaalsContact C-N 3.34Å; T2401-A2403 PolarHBondContact O-N 3Å; T2401-L2404 WeakPolarHBondContact O-CB 3.38Å; T2401-L2404 PolarHBondContact O-N 3.07Å; T2401-F2405 HydrophobicContact CG2-CD2 4.03Å; T2401-F2405 HydrophobicContact CG2-CE2 3.6Å; T2401-F2405 HydrophobicContact CG2-CZ 4.34Å; T2401-F2405 VanDerWaalsContact O-CD2 3.28Å; T2401-F2405 WeakPolarHBondContact O-CD2 3.43Å; T2401-F2405 PolarHBondContact O-N 3.13Å |
| 2402 | A | 85.6 | Confident | 83.5 | Confident | 6.25 Ų | 6.25 | 49.7 Ų | 49.7 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D2398 L2399 L2404 F2405 A2406 L2411 K2485 L2510 | D2398-A2402 WeakPolarHBondContact O-CB 3.38Å; D2398-A2402 PolarHBondContact O-N 3.22Å; L2399-A2402 CarbonylContact O-C 3.59Å; L2399-A2402 WeakPolarHBondContact O-CA 3.3Å; L2399-A2402 PolarHBondContact O-N 3.13Å; L2399-A2402 VanDerWaalsContact O-N 3.16Å; A2402-L2404 VanDerWaalsContact C-N 3.32Å; A2402-L2404 PolarHBondContact O-N 3.48Å; A2402-F2405 PolarHBondContact O-N 3.16Å; A2402-A2406 WeakPolarHBondContact O-CB 3.47Å; A2402-A2406 PolarHBondContact O-N 3.28Å; A2402-L2411 HydrophobicContact CB-CD1 4.28Å; A2402-L2411 VanDerWaalsContact O-CD1 3.28Å; A2402-L2411 WeakPolarHBondContact O-CD1 3.4Å; A2402-K2485 HydrophobicContact CB-CD 4.44Å; A2402-K2485 HydrophobicContact CB-CG 4.41Å; A2402-L2510 HydrophobicContact CB-CD1 4.03Å; A2402-L2510 HydrophobicContact CB-CD2 4.22Å |
| 2403 | A | 84 | Confident | 81.9 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.3 | -35.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2399 D2400 T2401 A2406 R2407 L2510 | L2399-A2403 WeakPolarHBondContact O-CB 3.27Å; L2399-A2403 PolarHBondContact O-N 3.15Å; D2400-A2403 PolarHBondContact O-N 3.03Å; T2401-A2403 VanDerWaalsContact C-N 3.34Å; T2401-A2403 PolarHBondContact O-N 3Å; A2403-A2406 PolarHBondContact O-N 3.14Å; A2403-R2407 WeakPolarHBondContact O-CB 3.47Å; A2403-R2407 VanDerWaalsContact O-CG 3.3Å; A2403-R2407 WeakPolarHBondContact O-CG 3.44Å; A2403-R2407 PolarHBondContact O-N 3.29Å; A2403-L2510 HydrophobicContact CB-CB 4.27Å; A2403-L2510 HydrophobicContact CB-CD1 4.43Å |
| 2404 | L | 79.2 | Confident | 80.1 | Confident | 80 Ų | 80 | 54.6 Ų | 54.6 | 42% | 0.419 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 170.4 | -83.4 | 165.5 | 0 | 0 | 0 | 111.5 | D2400 T2401 A2402 A2406 R2407 A2408 A3130 Q3131 I3134 | D2400-L2404 WeakPolarHBondContact O-CB 3.45Å; D2400-L2404 WeakPolarHBondContact O-CG 3.31Å; D2400-L2404 PolarHBondContact O-N 3.19Å; T2401-L2404 WeakPolarHBondContact O-CB 3.38Å; T2401-L2404 PolarHBondContact O-N 3.07Å; A2402-L2404 VanDerWaalsContact C-N 3.32Å; A2402-L2404 PolarHBondContact O-N 3.48Å; L2404-A2406 VanDerWaalsContact C-N 3.33Å; L2404-A2406 PolarHBondContact O-N 3.11Å; L2404-R2407 PolarHBondContact O-N 3.07Å; L2404-A2408 WeakPolarHBondContact O-CB 3.38Å; L2404-A2408 PolarHBondContact O-N 3.13Å; L2404-A3130 HydrophobicContact CB-CB 4.03Å; L2404-Q3131 HydrophobicContact CD1-CG 4.1Å; L2404-I3134 HydrophobicContact CB-CD1 4.06Å; L2404-I3134 HydrophobicContact CD2-CD1 3.53Å; L2404-I3134 HydrophobicContact CG-CD1 4.41Å |
| 2405 | F | 82.4 | Confident | 78.1 | Confident | 58.5 Ų | 58.5 | 52.5 Ų | 52.5 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -37.9 | 174.5 | -73.4 | -55.5 | 0 | 0 | 0 | 113 | T2401 A2402 A2408 G2409 T2410 L2411 A3126 A3130 K3158 | T2401-F2405 HydrophobicContact CG2-CD2 4.03Å; T2401-F2405 HydrophobicContact CG2-CE2 3.6Å; T2401-F2405 HydrophobicContact CG2-CZ 4.34Å; T2401-F2405 VanDerWaalsContact O-CD2 3.28Å; T2401-F2405 WeakPolarHBondContact O-CD2 3.43Å; T2401-F2405 PolarHBondContact O-N 3.13Å; A2402-F2405 PolarHBondContact O-N 3.16Å; F2405-A2408 CarbonylContact O-C 3.59Å; F2405-A2408 PolarHBondContact O-N 3.21Å; F2405-G2409 PolarHBondContact O-N 3.15Å; F2405-G2409 VanDerWaalsContact O-N 3.13Å; F2405-T2410 WeakPolarHBondContact CD1-OG1 3.36Å; F2405-T2410 PolarHBondContact O-N 3.41Å; F2405-T2410 PolarHBondContact O-OG1 3.19Å; F2405-L2411 HydrophobicContact CB-CB 4.42Å; F2405-L2411 HydrophobicContact CB-CD1 4.17Å; F2405-L2411 PolarHBondContact O-N 3.07Å; F2405-A3126 HydrophobicContact CZ-CB 3.84Å; F2405-A3126 VanDerWaalsContact CZ-O 3.29Å; F2405-A3126 WeakPolarHBondContact CZ-O 3.3Å; F2405-A3130 HydrophobicContact CD1-CB 3.78Å; F2405-A3130 HydrophobicContact CE1-CB 3.78Å; F2405-A3130 HydrophobicContact CG-CB 4.36Å; F2405-A3130 HydrophobicContact CZ-CB 4.36Å; F2405-K3158 HydrophobicContact CD1-CD 3.9Å; F2405-K3158 HydrophobicContact CD2-CD 4.06Å; F2405-K3158 HydrophobicContact CE1-CB 3.99Å; F2405-K3158 HydrophobicContact CE1-CD 3.87Å; F2405-K3158 HydrophobicContact CE1-CG 4.16Å; F2405-K3158 HydrophobicContact CE2-CD 4.01Å; F2405-K3158 HydrophobicContact CE2-CG 4.38Å; F2405-K3158 HydrophobicContact CG-CD 4.01Å; F2405-K3158 HydrophobicContact CZ-CB 4.18Å; F2405-K3158 HydrophobicContact CZ-CD 3.93Å; F2405-K3158 HydrophobicContact CZ-CG 4.02Å |
| 2406 | A | 83.5 | Confident | 76 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A2402 A2403 L2404 A2408 G2409 L2411 I2503 Q2506 V2507 L2510 | A2402-A2406 WeakPolarHBondContact O-CB 3.47Å; A2402-A2406 PolarHBondContact O-N 3.28Å; A2403-A2406 PolarHBondContact O-N 3.14Å; L2404-A2406 VanDerWaalsContact C-N 3.33Å; L2404-A2406 PolarHBondContact O-N 3.11Å; A2406-A2408 VanDerWaalsContact C-N 3.29Å; A2406-A2408 PolarHBondContact O-N 3.23Å; A2406-G2409 PolarHBondContact O-N 3.18Å; A2406-L2411 HydrophobicContact CB-CB 4.45Å; A2406-L2411 HydrophobicContact CB-CD1 4.34Å; A2406-L2411 HydrophobicContact CB-CD2 4.32Å; A2406-I2503 WeakPolarHBondContact O-CG2 3.45Å; A2406-Q2506 HydrophobicContact CB-CB 3.83Å; A2406-V2507 HydrophobicContact CB-CG2 3.88Å; A2406-L2510 HydrophobicContact CB-CD1 4Å |
| 2407 | R | 80.5 | Confident | 73.3 | Confident | 110.75 Ų | 110.75 | 64.6 Ų | 64.6 | 42% | 0.418 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 175.1 | -81.2 | 175.2 | -172.9 | -152.8 | 2.1 | 112.9 | A2403 L2404 G2409 V2507 D2719 I3134 | A2403-R2407 WeakPolarHBondContact O-CB 3.47Å; A2403-R2407 VanDerWaalsContact O-CG 3.3Å; A2403-R2407 WeakPolarHBondContact O-CG 3.44Å; A2403-R2407 PolarHBondContact O-N 3.29Å; L2404-R2407 PolarHBondContact O-N 3.07Å; R2407-G2409 VanDerWaalsContact C-N 3.31Å; R2407-G2409 PolarHBondContact O-N 3.31Å; R2407-V2507 HydrophobicContact CB-CG2 4.35Å; R2407-V2507 HydrophobicContact CG-CG1 4.4Å; R2407-V2507 HydrophobicContact CG-CG2 3.61Å; R2407-V2507 VanDerWaalsContact CZ-CG1 3.47Å; R2407-V2507 VanDerWaalsContact NH2-CG1 3.26Å; R2407-D2719 IonicContact CZ-OD2 3.42Å; R2407-D2719 IonicContact NH2-OD2 3.4Å; R2407-D2719 PolarHBondContact NH2-OD2 3.35Å; R2407-I3134 HydrophobicContact CB-CD1 4.26Å |
| 2408 | A | 76 | Confident | 71 | Confident | 33.75 Ų | 33.75 | 66.3 Ų | 66.3 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2404 F2405 A2406 T2410 V3133 I3134 R3151 | L2404-A2408 WeakPolarHBondContact O-CB 3.38Å; L2404-A2408 PolarHBondContact O-N 3.13Å; F2405-A2408 CarbonylContact O-C 3.59Å; F2405-A2408 PolarHBondContact O-N 3.21Å; A2406-A2408 VanDerWaalsContact C-N 3.29Å; A2406-A2408 PolarHBondContact O-N 3.23Å; A2408-T2410 VanDerWaalsContact C-N 3.34Å; A2408-T2410 HydrophobicContact CB-CG2 4.36Å; A2408-T2410 WeakPolarHBondContact CB-OG1 3.33Å; A2408-T2410 PolarHBondContact O-N 2.87Å; A2408-V3133 HydrophobicContact CB-CB 4.33Å; A2408-V3133 HydrophobicContact CB-CG1 3.82Å; A2408-I3134 HydrophobicContact CB-CG1 4.15Å; A2408-R3151 WeakPolarHBondContact O-CD 3.39Å; A2408-R3151 PolarHBondContact O-NE 2.88Å |
| 2409 | G | 74.4 | Confident | 68.6 | Low | 48.75 Ų | 48.75 | 70.9 Ų | 70.9 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 20.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | F2405 A2406 R2407 | F2405-G2409 PolarHBondContact O-N 3.15Å; F2405-G2409 VanDerWaalsContact O-N 3.13Å; A2406-G2409 PolarHBondContact O-N 3.18Å; R2407-G2409 VanDerWaalsContact C-N 3.31Å; R2407-G2409 PolarHBondContact O-N 3.31Å |
| 2410 | T | 76.3 | Confident | 66.2 | Low | 47 Ų | 47 | 74.6 Ų | 74.6 | 29% | 0.288 | 42% | 0.418 | S | S | . | . | trans | -114.4 | 10.9 | -173.6 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | F2405 A2408 Q2412 R3151 | F2405-T2410 WeakPolarHBondContact CD1-OG1 3.36Å; F2405-T2410 PolarHBondContact O-N 3.41Å; F2405-T2410 PolarHBondContact O-OG1 3.19Å; A2408-T2410 VanDerWaalsContact C-N 3.34Å; A2408-T2410 HydrophobicContact CB-CG2 4.36Å; A2408-T2410 WeakPolarHBondContact CB-OG1 3.33Å; A2408-T2410 PolarHBondContact O-N 2.87Å; T2410-Q2412 PolarHBondContact O-N 3.23Å; T2410-Q2412 VanDerWaalsContact O-N 3.14Å; T2410-R3151 HydrophobicContact CG2-CB 4.2Å; T2410-R3151 HydrophobicContact CG2-CG 4.41Å; T2410-R3151 WeakPolarHBondContact CG2-O 3.44Å | ||
| 2411 | L | 73.4 | Confident | 63.9 | Low | 23.75 Ų | 23.75 | 76.4 Ų | 76.4 | 12% | 0.124 | 43% | 0.434 | C | S | . | . | trans | -68.7 | 104.1 | 174.4 | -166.8 | 74.9 | 0 | 0 | 0 | 110.5 | A2402 F2405 A2406 A2488 Q2506 L2510 | A2402-L2411 HydrophobicContact CB-CD1 4.28Å; A2402-L2411 VanDerWaalsContact O-CD1 3.28Å; A2402-L2411 WeakPolarHBondContact O-CD1 3.4Å; F2405-L2411 HydrophobicContact CB-CB 4.42Å; F2405-L2411 HydrophobicContact CB-CD1 4.17Å; F2405-L2411 PolarHBondContact O-N 3.07Å; A2406-L2411 HydrophobicContact CB-CB 4.45Å; A2406-L2411 HydrophobicContact CB-CD1 4.34Å; A2406-L2411 HydrophobicContact CB-CD2 4.32Å; L2411-A2488 HydrophobicContact CD2-CB 3.79Å; L2411-Q2506 HydrophobicContact CD2-CG 4.39Å; L2411-Q2506 VanDerWaalsContact CD2-OE1 3.31Å; L2411-L2510 HydrophobicContact CD1-CD1 4.37Å; L2411-L2510 HydrophobicContact CD2-CD1 4.27Å | ||
| 2412 | Q | 63.5 | Low | 61.9 | Low | 151.75 Ų | 151.75 | 79.6 Ų | 79.6 | 71% | 0.709 | 45% | 0.453 | S | S | * | . | trans | -80.8 | 149.7 | -176 | -114.2 | 175.4 | 12.2 | 0 | 0 | 112.9 | T2410 S2414 | T2410-Q2412 PolarHBondContact O-N 3.23Å; T2410-Q2412 VanDerWaalsContact O-N 3.14Å; Q2412-S2414 PolarHBondContact O-N 3.4Å; Q2412-S2414 VanDerWaalsContact O-N 3.15Å | ||
| 2413 | E | 59.1 | Low | 59.9 | Low | 97.5 Ų | 97.5 | 85 Ų | 85 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | trans | -71.1 | 115.1 | -178.7 | -143 | 169.2 | -166.3 | 0 | 0 | 111.6 | F2415 S2489 S2493 | E2413-F2415 VanDerWaalsContact C-N 3.31Å; E2413-F2415 HydrophobicContact CB-CD2 4.02Å; E2413-F2415 HydrophobicContact CB-CE2 4.3Å; E2413-F2415 VanDerWaalsContact CD-CD2 3.49Å; E2413-F2415 HydrophobicContact CG-CD1 4.48Å; E2413-F2415 HydrophobicContact CG-CD2 3.77Å; E2413-F2415 HydrophobicContact CG-CE1 4.29Å; E2413-F2415 HydrophobicContact CG-CE2 3.57Å; E2413-F2415 HydrophobicContact CG-CG 4.12Å; E2413-F2415 HydrophobicContact CG-CZ 3.76Å; E2413-F2415 PolarHBondContact O-N 3.12Å; E2413-F2415 WeakPolarHBondContact OE1-CE2 3.34Å; E2413-F2415 WeakPolarHBondContact OE1-CZ 3.2Å; E2413-F2415 WeakPolarHBondContact OE2-CD2 3.42Å; E2413-F2415 WeakPolarHBondContact OE2-CE2 3.29Å; E2413-S2489 WeakPolarHBondContact CA-OG 3.45Å; E2413-S2493 WeakPolarHBondContact OE1-CB 3.43Å; E2413-S2493 PolarHBondContact OE1-OG 3.12Å; E2413-S2493 PolarHBondContact OE2-OG 2.74Å | ||
| 2414 | S | 53.4 | Low | 58 | Low | 81.75 Ų | 81.75 | 92.7 Ų | 92.7 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | trans | -84.9 | 30.2 | -179.7 | -167.8 | 0 | 0 | 0 | 0 | 112 | Q2412 K2416 N2486 S2489 | Q2412-S2414 PolarHBondContact O-N 3.4Å; Q2412-S2414 VanDerWaalsContact O-N 3.15Å; S2414-K2416 PolarHBondContact O-N 3.04Å; S2414-N2486 VanDerWaalsContact CB-OD1 3.22Å; S2414-N2486 WeakPolarHBondContact CB-OD1 3.3Å; S2414-N2486 PolarHBondContact OG-OD1 2.97Å; S2414-S2489 PolarHBondContact N-OG 2.77Å; S2414-S2489 VanDerWaalsContact N-OG 3.09Å | ||
| 2415 | F | 47.4 | Very low | 56.6 | Low | 92.25 Ų | 92.25 | 92.2 Ų | 92.2 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | trans | -82.7 | 110.8 | -179.7 | -74.6 | -66.9 | 0 | 0 | 0 | 112.2 | E2413 S2417 F2429 A2433 N2486 S2489 C2490 | E2413-F2415 VanDerWaalsContact C-N 3.31Å; E2413-F2415 HydrophobicContact CB-CD2 4.02Å; E2413-F2415 HydrophobicContact CB-CE2 4.3Å; E2413-F2415 VanDerWaalsContact CD-CD2 3.49Å; E2413-F2415 HydrophobicContact CG-CD1 4.48Å; E2413-F2415 HydrophobicContact CG-CD2 3.77Å; E2413-F2415 HydrophobicContact CG-CE1 4.29Å; E2413-F2415 HydrophobicContact CG-CE2 3.57Å; E2413-F2415 HydrophobicContact CG-CG 4.12Å; E2413-F2415 HydrophobicContact CG-CZ 3.76Å; E2413-F2415 PolarHBondContact O-N 3.12Å; E2413-F2415 WeakPolarHBondContact OE1-CE2 3.34Å; E2413-F2415 WeakPolarHBondContact OE1-CZ 3.2Å; E2413-F2415 WeakPolarHBondContact OE2-CD2 3.42Å; E2413-F2415 WeakPolarHBondContact OE2-CE2 3.29Å; F2415-S2417 VanDerWaalsContact C-N 3.33Å; F2415-S2417 PolarHBondContact O-N 3.26Å; F2415-S2417 VanDerWaalsContact O-N 3.13Å; F2415-F2429 HydrophobicContact CZ-CE1 4.15Å; F2415-A2433 HydrophobicContact CE1-CB 4.33Å; F2415-A2433 HydrophobicContact CZ-CB 3.75Å; F2415-N2486 HydrophobicContact CE2-CB 3.99Å; F2415-N2486 WeakPolarHBondContact CE2-O 3.46Å; F2415-N2486 HydrophobicContact CZ-CB 4.22Å; F2415-N2486 WeakPolarHBondContact CZ-O 3.44Å; F2415-S2489 VanDerWaalsContact CE2-OG 3.29Å; F2415-S2489 WeakPolarHBondContact CE2-OG 3.26Å; F2415-C2490 HydrophobicContact CE2-CB 4.32Å; F2415-C2490 WeakPolarHBondContact CE2-SG 3.46Å; F2415-C2490 HydrophobicContact CZ-CB 4.21Å; F2415-C2490 VanDerWaalsContact CZ-SG 3.5Å; F2415-C2490 WeakPolarHBondContact CZ-SG 3.46Å | ||
| 2416 | K | 45.9 | Very low | 55.4 | Low | 197.25 Ų | 197.25 | 91.6 Ų | 91.6 | 86% | 0.858 | 53% | 0.53 | S | S | * | . | trans | -60.2 | 110.5 | 156.6 | -73.1 | 177.6 | -179.7 | 171.3 | 0 | 108.1 | S2414 P2418 | S2414-K2416 PolarHBondContact O-N 3.04Å; K2416-P2418 VanDerWaalsContact O-CD 3.28Å; K2416-P2418 WeakPolarHBondContact O-CD 3.43Å | ||
| 2417 | S | 34.1 | Very low | 54.4 | Low | 91.5 Ų | 91.5 | 96.5 Ų | 96.5 | 64% | 0.64 | 56% | 0.559 | S | S | * | * | trans | -59.8 | 128.2 | 179.1 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | F2415 T2419 | F2415-S2417 VanDerWaalsContact C-N 3.33Å; F2415-S2417 PolarHBondContact O-N 3.26Å; F2415-S2417 VanDerWaalsContact O-N 3.13Å; S2417-T2419 PolarHBondContact O-N 2.9Å | ||
| 2418 | P | 39.3 | Very low | 53.8 | Low | 84 Ų | 84 | 95.4 Ų | 95.4 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | trans | -69.5 | 138.2 | 165.5 | -4.5 | 16.6 | 0 | 0 | 0 | 109.2 | K2416 S2420 F2429 | K2416-P2418 VanDerWaalsContact O-CD 3.28Å; K2416-P2418 WeakPolarHBondContact O-CD 3.43Å; P2418-S2420 VanDerWaalsContact C-N 3.26Å; P2418-S2420 PolarHBondContact O-N 3.1Å; P2418-F2429 HydrophobicContact CG-CE2 4.35Å; P2418-F2429 HydrophobicContact CG-CZ 4.13Å | ||
| 2419 | T | 39.1 | Very low | 53.4 | Low | 151.25 Ų | 151.25 | 98.3 Ų | 98.3 | 93% | 0.928 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -71.5 | 40.6 | -174.1 | 42.8 | 0 | 0 | 0 | 0 | 114.2 | S2417 | S2417-T2419 PolarHBondContact O-N 2.9Š|
| 2420 | S | 39.7 | Very low | 53.2 | Low | 78.25 Ų | 78.25 | 99.1 Ų | 99.1 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | trans | -128.2 | 124.8 | 173.8 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | P2418 V2422 | P2418-S2420 VanDerWaalsContact C-N 3.26Å; P2418-S2420 PolarHBondContact O-N 3.1Å; S2420-V2422 VanDerWaalsContact C-N 3.32Å; S2420-V2422 PolarHBondContact O-N 3.03Å; S2420-V2422 VanDerWaalsContact O-N 3.08Å | ||
| 2421 | P | 40.5 | Very low | 53.2 | Low | 107.75 Ų | 107.75 | 100.5 Ų | 100.5 | 70% | 0.7 | 56% | 0.564 | S | S | * | * | trans | -80.9 | 19 | -172.1 | -6.3 | 18.8 | 0 | 0 | 0 | 116.3 | ||||
| 2422 | V | 41.8 | Very low | 53.4 | Low | 119.75 Ų | 119.75 | 107.8 Ų | 107.8 | 73% | 0.726 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -106 | -30 | -161.2 | -174.4 | 0 | 0 | 0 | 0 | 116.4 | S2420 | S2420-V2422 VanDerWaalsContact C-N 3.32Å; S2420-V2422 PolarHBondContact O-N 3.03Å; S2420-V2422 VanDerWaalsContact O-N 3.08Å |
| 2423 | D | 44.7 | Very low | 54.1 | Low | 118.5 Ų | 118.5 | 101.4 Ų | 101.4 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | trans | -121.1 | 33.6 | -172.7 | -81.7 | -47.9 | 0 | 0 | 0 | 115.1 | G2425 S2426 | D2423-G2425 PolarHBondContact O-N 3.32Å; D2423-G2425 VanDerWaalsContact O-N 3.08Å; D2423-S2426 PolarHBondContact O-N 3.16Å | ||
| 2424 | K | 44.3 | Very low | 55.3 | Low | 172.25 Ų | 172.25 | 96.9 Ų | 96.9 | 75% | 0.749 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 10.8 | -174.7 | -68.1 | -174.5 | 176 | -175.8 | 0 | 115.2 | ||
| 2425 | G | 49.7 | Very low | 56.8 | Low | 69.75 Ų | 69.75 | 96.6 Ų | 96.6 | 72% | 0.719 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.4 | -3 | -178 | 0 | 0 | 0 | 0 | 0 | 116.9 | D2423 V2427 | D2423-G2425 PolarHBondContact O-N 3.32Å; D2423-G2425 VanDerWaalsContact O-N 3.08Å; G2425-V2427 PolarHBondContact O-N 2.98Å |
| 2426 | S | 55.9 | Low | 58.7 | Low | 47 Ų | 47 | 96.3 Ų | 96.3 | 33% | 0.329 | 54% | 0.537 | S | S | . | . | trans | -80 | 128.4 | -175.3 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | D2423 T2428 F2429 K2430 | D2423-S2426 PolarHBondContact O-N 3.16Å; S2426-T2428 WeakPolarHBondContact CB-OG1 3.39Å; S2426-T2428 PolarHBondContact O-N 3.14Å; S2426-T2428 VanDerWaalsContact O-N 3.11Å; S2426-T2428 PolarHBondContact OG-N 3.12Å; S2426-T2428 PolarHBondContact OG-OG1 3.42Å; S2426-F2429 WeakPolarHBondContact O-CB 3.44Å; S2426-F2429 PolarHBondContact O-N 3.08Å; S2426-K2430 PolarHBondContact O-N 2.77Å | ||
| 2427 | V | 63.2 | Low | 60.5 | Low | 101.5 Ų | 101.5 | 87.3 Ų | 87.3 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -49.5 | -33.6 | 170.4 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | G2425 F2429 K2430 Q2431 L2494 | G2425-V2427 PolarHBondContact O-N 2.98Å; V2427-F2429 VanDerWaalsContact C-N 3.31Å; V2427-F2429 PolarHBondContact O-N 3.05Å; V2427-K2430 PolarHBondContact O-N 3.2Å; V2427-Q2431 VanDerWaalsContact O-CB 3.26Å; V2427-Q2431 WeakPolarHBondContact O-CB 3.39Å; V2427-Q2431 PolarHBondContact O-N 3.12Å; V2427-L2494 HydrophobicContact CG1-CD2 4.34Å |
| 2428 | T | 67.5 | Low | 63.1 | Low | 88 Ų | 88 | 84 Ų | 84 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -33.3 | 177.5 | 64 | 0 | 0 | 0 | 0 | 114 | S2426 R2432 | S2426-T2428 WeakPolarHBondContact CB-OG1 3.39Å; S2426-T2428 PolarHBondContact O-N 3.14Å; S2426-T2428 VanDerWaalsContact O-N 3.11Å; S2426-T2428 PolarHBondContact OG-N 3.12Å; S2426-T2428 PolarHBondContact OG-OG1 3.42Å; T2428-R2432 WeakPolarHBondContact O-CB 3.2Å; T2428-R2432 PolarHBondContact O-N 3.09Å |
| 2429 | F | 68.6 | Low | 65.5 | Low | 93.75 Ų | 93.75 | 84.9 Ų | 84.9 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.7 | -46.7 | 176.5 | -178.6 | -91.7 | 0 | 0 | 0 | 110.6 | F2415 P2418 S2426 V2427 Q2431 R2432 A2433 | F2415-F2429 HydrophobicContact CZ-CE1 4.15Å; P2418-F2429 HydrophobicContact CG-CE2 4.35Å; P2418-F2429 HydrophobicContact CG-CZ 4.13Å; S2426-F2429 WeakPolarHBondContact O-CB 3.44Å; S2426-F2429 PolarHBondContact O-N 3.08Å; V2427-F2429 VanDerWaalsContact C-N 3.31Å; V2427-F2429 PolarHBondContact O-N 3.05Å; F2429-Q2431 VanDerWaalsContact C-N 3.31Å; F2429-Q2431 PolarHBondContact O-N 3.1Å; F2429-R2432 PolarHBondContact O-N 3.2Å; F2429-A2433 PolarHBondContact O-N 3.06Å |
| 2430 | K | 70.6 | Confident | 67.9 | Low | 66.25 Ų | 66.25 | 79.6 Ų | 79.6 | 29% | 0.288 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 175.8 | -60.1 | -170.6 | 175.9 | -160 | 0 | 111.7 | S2426 V2427 R2432 A2433 F2434 S2493 L2494 | S2426-K2430 PolarHBondContact O-N 2.77Å; V2427-K2430 PolarHBondContact O-N 3.2Å; K2430-R2432 PolarHBondContact O-N 3.49Å; K2430-A2433 WeakPolarHBondContact O-CB 3.16Å; K2430-A2433 PolarHBondContact O-N 3.21Å; K2430-A2433 VanDerWaalsContact O-N 3.17Å; K2430-F2434 PolarHBondContact O-N 3.1Å; K2430-S2493 VanDerWaalsContact CD-O 3.32Å; K2430-S2493 WeakPolarHBondContact CD-O 3.4Å; K2430-S2493 WeakPolarHBondContact CD-OG 3.26Å; K2430-S2493 VanDerWaalsContact CE-OG 3.26Å; K2430-S2493 WeakPolarHBondContact CE-OG 3.4Å; K2430-S2493 PolarHBondContact NZ-O 3.14Å; K2430-S2493 PolarHBondContact NZ-OG 3.07Å; K2430-L2494 HydrophobicContact CB-CD1 4.19Å; K2430-L2494 HydrophobicContact CB-CD2 3.68Å; K2430-L2494 HydrophobicContact CB-CG 3.92Å; K2430-L2494 WeakPolarHBondContact O-CD1 3.29Å |
| 2431 | Q | 74.7 | Confident | 70.3 | Confident | 75.75 Ų | 75.75 | 75.9 Ų | 75.9 | 35% | 0.354 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 176.7 | -172.4 | 176.7 | 6.9 | 0 | 0 | 111.6 | V2427 F2429 A2433 F2434 Q2435 L2494 F2584 | V2427-Q2431 VanDerWaalsContact O-CB 3.26Å; V2427-Q2431 WeakPolarHBondContact O-CB 3.39Å; V2427-Q2431 PolarHBondContact O-N 3.12Å; F2429-Q2431 VanDerWaalsContact C-N 3.31Å; F2429-Q2431 PolarHBondContact O-N 3.1Å; Q2431-A2433 VanDerWaalsContact C-N 3.34Å; Q2431-F2434 PolarHBondContact O-N 3.26Å; Q2431-Q2435 WeakPolarHBondContact O-CB 3.34Å; Q2431-Q2435 PolarHBondContact O-N 3.2Å; Q2431-L2494 HydrophobicContact CB-CD2 4.29Å; Q2431-F2584 HydrophobicContact CG-CD2 4.36Å; Q2431-F2584 HydrophobicContact CG-CE2 4.05Å |
| 2432 | R | 79.4 | Confident | 72.7 | Confident | 179 Ų | 179 | 74.4 Ų | 74.4 | 68% | 0.675 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.3 | -37.1 | 174 | -175.7 | 178.8 | -77.4 | 152.7 | -3.2 | 112 | T2428 F2429 K2430 Q2435 T2436 | T2428-R2432 WeakPolarHBondContact O-CB 3.2Å; T2428-R2432 PolarHBondContact O-N 3.09Å; F2429-R2432 PolarHBondContact O-N 3.2Å; K2430-R2432 PolarHBondContact O-N 3.49Å; R2432-Q2435 PolarHBondContact O-N 3.24Å; R2432-T2436 WeakPolarHBondContact O-CB 3.34Å; R2432-T2436 PolarHBondContact O-N 3.09Å; R2432-T2436 PolarHBondContact O-OG1 3.25Å |
| 2433 | A | 78 | Confident | 75.1 | Confident | 17.25 Ų | 17.25 | 74.6 Ų | 74.6 | 14% | 0.143 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F2415 F2429 K2430 Q2431 Q2435 T2436 A2437 C2490 | F2415-A2433 HydrophobicContact CE1-CB 4.33Å; F2415-A2433 HydrophobicContact CZ-CB 3.75Å; F2429-A2433 PolarHBondContact O-N 3.06Å; K2430-A2433 WeakPolarHBondContact O-CB 3.16Å; K2430-A2433 PolarHBondContact O-N 3.21Å; K2430-A2433 VanDerWaalsContact O-N 3.17Å; Q2431-A2433 VanDerWaalsContact C-N 3.34Å; A2433-Q2435 PolarHBondContact O-N 3.46Å; A2433-T2436 PolarHBondContact O-N 3.28Å; A2433-A2437 PolarHBondContact O-N 2.94Å; A2433-C2490 WeakPolarHBondContact CB-SG 3.47Å |
| 2434 | F | 84.1 | Confident | 77.3 | Confident | 1.25 Ų | 1.25 | 69.2 Ų | 69.2 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | 172.6 | -179.2 | -90.3 | 0 | 0 | 0 | 111.8 | K2430 Q2431 T2436 A2437 Q2438 A2487 C2490 T2491 L2494 L2577 V2580 F2584 | K2430-F2434 PolarHBondContact O-N 3.1Å; Q2431-F2434 PolarHBondContact O-N 3.26Å; F2434-T2436 VanDerWaalsContact C-N 3.28Å; F2434-T2436 PolarHBondContact O-N 3.12Å; F2434-A2437 CarbonylContact O-C 3.55Å; F2434-A2437 PolarHBondContact O-N 3.12Å; F2434-A2437 VanDerWaalsContact O-N 3.15Å; F2434-Q2438 HydrophobicContact CD1-CB 4.4Å; F2434-Q2438 HydrophobicContact CE1-CB 4.27Å; F2434-Q2438 HydrophobicContact CE1-CG 4.45Å; F2434-Q2438 VanDerWaalsContact O-CB 3.28Å; F2434-Q2438 WeakPolarHBondContact O-CB 3.16Å; F2434-Q2438 PolarHBondContact O-N 3.16Å; F2434-A2487 HydrophobicContact CE2-CB 4.46Å; F2434-C2490 HydrophobicContact CB-CB 3.88Å; F2434-C2490 HydrophobicContact CD2-CB 3.96Å; F2434-C2490 HydrophobicContact CG-CB 4.4Å; F2434-C2490 PolarHBondContact N-SG 2.81Å; F2434-T2491 WeakPolarHBondContact CE2-OG1 3.31Å; F2434-L2494 HydrophobicContact CB-CD1 3.52Å; F2434-L2494 VanDerWaalsContact CB-CD1 3.47Å; F2434-L2494 HydrophobicContact CD2-CD1 4.24Å; F2434-L2494 HydrophobicContact CG-CD1 4.02Å; F2434-L2577 HydrophobicContact CZ-CD1 4.01Å; F2434-V2580 HydrophobicContact CE2-CB 4.4Å; F2434-V2580 HydrophobicContact CE2-CG1 3.65Å; F2434-V2580 HydrophobicContact CZ-CB 4.18Å; F2434-V2580 HydrophobicContact CZ-CG1 3.66Å; F2434-F2584 HydrophobicContact CD1-CD2 4.41Å; F2434-F2584 AromaticContact CD1-CE1 3.77Å; F2434-F2584 HydrophobicContact CD1-CE1 3.88Å; F2434-F2584 AromaticContact CD1-CE2 3.72Å; F2434-F2584 HydrophobicContact CD1-CE2 4.06Å; F2434-F2584 AromaticContact CD1-CZ 3.51Å; F2434-F2584 HydrophobicContact CD1-CZ 3.75Å; F2434-F2584 VanDerWaalsContact CD1-CZ 3.42Å; F2434-F2584 HydrophobicContact CD2-CE1 4.38Å; F2434-F2584 HydrophobicContact CD2-CE2 4.36Å; F2434-F2584 HydrophobicContact CD2-CZ 4.41Å; F2434-F2584 HydrophobicContact CE1-CD2 4.38Å; F2434-F2584 AromaticContact CE1-CE1 3.81Å; F2434-F2584 HydrophobicContact CE1-CE1 3.88Å; F2434-F2584 AromaticContact CE1-CE2 3.6Å; F2434-F2584 HydrophobicContact CE1-CE2 3.6Å; F2434-F2584 AromaticContact CE1-CZ 3.71Å; F2434-F2584 HydrophobicContact CE1-CZ 3.91Å; F2434-F2584 HydrophobicContact CE2-CE1 4.38Å; F2434-F2584 HydrophobicContact CE2-CE2 4.25Å; F2434-F2584 HydrophobicContact CE2-CZ 4.41Å; F2434-F2584 HydrophobicContact CG-CE1 4.21Å; F2434-F2584 HydrophobicContact CG-CE2 4.11Å; F2434-F2584 AromaticContact CG-CZ 3.97Å; F2434-F2584 HydrophobicContact CG-CZ 4.21Å; F2434-F2584 HydrophobicContact CZ-CE1 4.22Å; F2434-F2584 AromaticContact CZ-CE2 3.88Å; F2434-F2584 HydrophobicContact CZ-CE2 3.88Å; F2434-F2584 HydrophobicContact CZ-CZ 4.36Å |
| 2435 | Q | 84.6 | Confident | 79.5 | Confident | 75.5 Ų | 75.5 | 61.4 Ų | 61.4 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 178 | -172.4 | 77.8 | 43.7 | 0 | 0 | 112 | Q2431 R2432 A2433 Q2438 E2439 | Q2431-Q2435 WeakPolarHBondContact O-CB 3.34Å; Q2431-Q2435 PolarHBondContact O-N 3.2Å; R2432-Q2435 PolarHBondContact O-N 3.24Å; A2433-Q2435 PolarHBondContact O-N 3.46Å; Q2435-Q2438 WeakPolarHBondContact O-CB 3.31Å; Q2435-Q2438 PolarHBondContact O-N 2.93Å; Q2435-E2439 WeakPolarHBondContact CG-OE1 3.3Å; Q2435-E2439 PolarHBondContact NE2-OE1 3.19Å; Q2435-E2439 WeakPolarHBondContact O-CB 3.36Å; Q2435-E2439 WeakPolarHBondContact O-CG 3.42Å; Q2435-E2439 PolarHBondContact O-N 3.28Å |
| 2436 | T | 86.2 | Confident | 81.5 | Confident | 85.75 Ų | 85.75 | 63 Ų | 63 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | R2432 A2433 F2434 Q2438 E2439 A2440 | R2432-T2436 WeakPolarHBondContact O-CB 3.34Å; R2432-T2436 PolarHBondContact O-N 3.09Å; R2432-T2436 PolarHBondContact O-OG1 3.25Å; A2433-T2436 PolarHBondContact O-N 3.28Å; F2434-T2436 VanDerWaalsContact C-N 3.28Å; F2434-T2436 PolarHBondContact O-N 3.12Å; T2436-Q2438 VanDerWaalsContact C-N 3.33Å; T2436-Q2438 PolarHBondContact O-N 3.5Å; T2436-E2439 PolarHBondContact O-N 3.08Å; T2436-A2440 WeakPolarHBondContact O-CB 3.45Å; T2436-A2440 PolarHBondContact O-N 3.28Å |
| 2437 | A | 85.1 | Confident | 83.2 | Confident | 8.5 Ų | 8.5 | 61 Ų | 61 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2433 F2434 A2440 V2441 N2486 A2487 | A2433-A2437 PolarHBondContact O-N 2.94Å; F2434-A2437 CarbonylContact O-C 3.55Å; F2434-A2437 PolarHBondContact O-N 3.12Å; F2434-A2437 VanDerWaalsContact O-N 3.15Å; A2437-A2440 PolarHBondContact O-N 3.3Å; A2437-V2441 VanDerWaalsContact O-CG2 3.32Å; A2437-V2441 WeakPolarHBondContact O-CG2 3.41Å; A2437-V2441 PolarHBondContact O-N 3.08Å; A2437-N2486 HydrophobicContact CB-CB 4.4Å; A2437-A2487 HydrophobicContact CB-CB 3.81Å |
| 2438 | Q | 88.2 | Confident | 84.5 | Confident | 22.25 Ų | 22.25 | 56.2 Ų | 56.2 | 10% | 0.104 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.3 | 173.1 | 173.5 | 32.7 | 0 | 0 | 111.8 | F2434 Q2435 T2436 A2440 V2441 M2442 L2577 | F2434-Q2438 HydrophobicContact CD1-CB 4.4Å; F2434-Q2438 HydrophobicContact CE1-CB 4.27Å; F2434-Q2438 HydrophobicContact CE1-CG 4.45Å; F2434-Q2438 VanDerWaalsContact O-CB 3.28Å; F2434-Q2438 WeakPolarHBondContact O-CB 3.16Å; F2434-Q2438 PolarHBondContact O-N 3.16Å; Q2435-Q2438 WeakPolarHBondContact O-CB 3.31Å; Q2435-Q2438 PolarHBondContact O-N 2.93Å; T2436-Q2438 VanDerWaalsContact C-N 3.33Å; T2436-Q2438 PolarHBondContact O-N 3.5Å; Q2438-A2440 VanDerWaalsContact C-N 3.33Å; Q2438-V2441 PolarHBondContact O-N 2.82Å; Q2438-M2442 HydrophobicContact CG-CE 4.16Å; Q2438-M2442 WeakPolarHBondContact O-CG 3.4Å; Q2438-M2442 PolarHBondContact O-N 3.08Å; Q2438-L2577 HydrophobicContact CB-CD1 4.2Å; Q2438-L2577 HydrophobicContact CB-CD2 3.97Å; Q2438-L2577 HydrophobicContact CB-CG 4.27Å; Q2438-L2577 HydrophobicContact CG-CB 4.49Å; Q2438-L2577 HydrophobicContact CG-CD1 4.19Å; Q2438-L2577 HydrophobicContact CG-CD2 3.7Å; Q2438-L2577 HydrophobicContact CG-CG 3.79Å |
| 2439 | E | 89.6 | Confident | 85.7 | Confident | 104.5 Ų | 104.5 | 53.4 Ų | 53.4 | 49% | 0.488 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 174.8 | -75.7 | 170.9 | -161.4 | 0 | 0 | 112 | Q2435 T2436 M2442 Q2443 L2608 | Q2435-E2439 WeakPolarHBondContact CG-OE1 3.3Å; Q2435-E2439 PolarHBondContact NE2-OE1 3.19Å; Q2435-E2439 WeakPolarHBondContact O-CB 3.36Å; Q2435-E2439 WeakPolarHBondContact O-CG 3.42Å; Q2435-E2439 PolarHBondContact O-N 3.28Å; T2436-E2439 PolarHBondContact O-N 3.08Å; E2439-M2442 HydrophobicContact CG-CE 4.09Å; E2439-M2442 PolarHBondContact O-N 3.28Å; E2439-Q2443 WeakPolarHBondContact O-CB 3.39Å; E2439-Q2443 PolarHBondContact O-N 3.18Å; E2439-L2608 HydrophobicContact CG-CD2 4.24Å |
| 2440 | A | 89.6 | Confident | 86.8 | Confident | 38.75 Ų | 38.75 | 53.1 Ų | 53.1 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T2436 A2437 Q2438 Q2443 A2444 | T2436-A2440 WeakPolarHBondContact O-CB 3.45Å; T2436-A2440 PolarHBondContact O-N 3.28Å; A2437-A2440 PolarHBondContact O-N 3.3Å; Q2438-A2440 VanDerWaalsContact C-N 3.33Å; A2440-Q2443 PolarHBondContact O-N 3.07Å; A2440-A2444 WeakPolarHBondContact O-CB 3.33Å; A2440-A2444 PolarHBondContact O-N 3.08Å |
| 2441 | V | 90.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -49.3 | 174.1 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | A2437 Q2438 Q2443 A2444 E2445 L2480 A2484 A2487 L2573 L2577 | A2437-V2441 VanDerWaalsContact O-CG2 3.32Å; A2437-V2441 WeakPolarHBondContact O-CG2 3.41Å; A2437-V2441 PolarHBondContact O-N 3.08Å; Q2438-V2441 PolarHBondContact O-N 2.82Å; V2441-Q2443 VanDerWaalsContact C-N 3.29Å; V2441-Q2443 PolarHBondContact O-N 3.19Å; V2441-A2444 PolarHBondContact O-N 3.3Å; V2441-A2444 VanDerWaalsContact O-N 3.14Å; V2441-E2445 HydrophobicContact CG1-CG 4.35Å; V2441-E2445 WeakPolarHBondContact O-CG 3.24Å; V2441-E2445 PolarHBondContact O-N 3.07Å; V2441-L2480 HydrophobicContact CB-CD1 4.49Å; V2441-L2480 HydrophobicContact CG1-CD1 3.86Å; V2441-A2484 HydrophobicContact CG2-CB 4.41Å; V2441-A2487 HydrophobicContact CG2-CB 4.47Å; V2441-L2573 HydrophobicContact CG1-CD2 4.12Å; V2441-L2573 HydrophobicContact CG1-CG 4.41Å; V2441-L2577 HydrophobicContact CB-CD1 4.06Å; V2441-L2577 HydrophobicContact CB-CD2 4.13Å; V2441-L2577 HydrophobicContact CG1-CD1 3.57Å; V2441-L2577 VanDerWaalsContact CG1-CD1 3.46Å; V2441-L2577 HydrophobicContact CG1-CD2 3.83Å; V2441-L2577 HydrophobicContact CG2-CD1 4.43Å |
| 2442 | M | 90.3 | Very high | 88.4 | Confident | 76.5 Ų | 76.5 | 46.8 Ų | 46.8 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 178.6 | -78 | -174.4 | -40.2 | 0 | 0 | 112.9 | Q2438 E2439 K2446 L2577 | Q2438-M2442 HydrophobicContact CG-CE 4.16Å; Q2438-M2442 WeakPolarHBondContact O-CG 3.4Å; Q2438-M2442 PolarHBondContact O-N 3.08Å; E2439-M2442 HydrophobicContact CG-CE 4.09Å; E2439-M2442 PolarHBondContact O-N 3.28Å; M2442-K2446 WeakPolarHBondContact O-CB 3.35Å; M2442-K2446 PolarHBondContact O-N 3.25Å; M2442-L2577 HydrophobicContact CG-CD1 4.41Å; M2442-L2577 HydrophobicContact CG-CD2 4.15Å |
| 2443 | Q | 91.5 | Very high | 88.9 | Confident | 125.25 Ų | 125.25 | 43.3 Ų | 43.3 | 59% | 0.585 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -69.7 | -39.7 | 176.5 | -177.2 | 62.3 | 15.6 | 0 | 0 | 111.6 | E2439 A2440 V2441 K2446 G2447 | E2439-Q2443 WeakPolarHBondContact O-CB 3.39Å; E2439-Q2443 PolarHBondContact O-N 3.18Å; A2440-Q2443 PolarHBondContact O-N 3.07Å; V2441-Q2443 VanDerWaalsContact C-N 3.29Å; V2441-Q2443 PolarHBondContact O-N 3.19Å; Q2443-K2446 PolarHBondContact O-N 2.96Å; Q2443-G2447 PolarHBondContact O-N 3.16Å |
| 2444 | A | 90.7 | Very high | 89.4 | Confident | 4.75 Ų | 4.75 | 45.2 Ų | 45.2 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2440 V2441 K2446 G2447 I2448 L2480 | A2440-A2444 WeakPolarHBondContact O-CB 3.33Å; A2440-A2444 PolarHBondContact O-N 3.08Å; V2441-A2444 PolarHBondContact O-N 3.3Å; V2441-A2444 VanDerWaalsContact O-N 3.14Å; A2444-K2446 PolarHBondContact O-N 3.29Å; A2444-G2447 PolarHBondContact O-N 3.31Å; A2444-I2448 VanDerWaalsContact O-CG1 3.32Å; A2444-I2448 WeakPolarHBondContact O-CG1 3.34Å; A2444-I2448 PolarHBondContact O-N 3.08Å; A2444-L2480 HydrophobicContact CB-CB 3.94Å; A2444-L2480 HydrophobicContact CB-CD1 4.01Å |
| 2445 | E | 91.3 | Very high | 89.5 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.2 | -50.2 | 172.3 | -76.4 | -179.7 | 177.1 | 0 | 0 | 111.4 | V2441 G2447 I2448 V2449 L2480 I2570 L2573 S2574 | V2441-E2445 HydrophobicContact CG1-CG 4.35Å; V2441-E2445 WeakPolarHBondContact O-CG 3.24Å; V2441-E2445 PolarHBondContact O-N 3.07Å; E2445-G2447 VanDerWaalsContact C-N 3.34Å; E2445-G2447 PolarHBondContact O-N 3.19Å; E2445-I2448 PolarHBondContact O-N 3.25Å; E2445-V2449 WeakPolarHBondContact O-CG2 3.38Å; E2445-V2449 PolarHBondContact O-N 3.25Å; E2445-V2449 VanDerWaalsContact O-N 3.12Å; E2445-L2480 HydrophobicContact CG-CD1 4.25Å; E2445-I2570 HydrophobicContact CB-CG2 3.93Å; E2445-I2570 HydrophobicContact CG-CG2 3.93Å; E2445-L2573 HydrophobicContact CG-CD2 4.25Å; E2445-L2573 WeakPolarHBondContact OE1-CB 3.43Å; E2445-L2573 WeakPolarHBondContact OE1-CD2 3.43Å; E2445-L2573 WeakPolarHBondContact OE1-CG 3.35Å; E2445-S2574 PolarHBondContact OE1-N 3.25Å; E2445-S2574 PolarHBondContact OE2-OG 3.25Å |
| 2446 | K | 91.5 | Very high | 89.7 | Confident | 102.5 Ų | 102.5 | 43.4 Ų | 43.4 | 45% | 0.446 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 177.9 | -178.3 | -179.1 | 176.6 | -121.4 | 0 | 111.6 | M2442 Q2443 A2444 I2448 V2449 E2450 | M2442-K2446 WeakPolarHBondContact O-CB 3.35Å; M2442-K2446 PolarHBondContact O-N 3.25Å; Q2443-K2446 PolarHBondContact O-N 2.96Å; A2444-K2446 PolarHBondContact O-N 3.29Å; K2446-I2448 VanDerWaalsContact C-N 3.33Å; K2446-I2448 PolarHBondContact O-N 3.22Å; K2446-V2449 PolarHBondContact O-N 3.04Å; K2446-E2450 WeakPolarHBondContact CE-OE1 3.3Å; K2446-E2450 IonicContact NZ-OE1 3.37Å; K2446-E2450 PolarHBondContact NZ-OE1 3.39Å; K2446-E2450 IonicContact NZ-OE2 3.38Å; K2446-E2450 WeakPolarHBondContact O-CG 3.49Å; K2446-E2450 PolarHBondContact O-N 3.28Å; K2446-E2450 VanDerWaalsContact O-N 3.13Å |
| 2447 | G | 91.1 | Very high | 89.7 | Confident | 4.5 Ų | 4.5 | 46.4 Ų | 46.4 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q2443 A2444 E2445 V2449 E2450 D2451 R2476 | Q2443-G2447 PolarHBondContact O-N 3.16Å; A2444-G2447 PolarHBondContact O-N 3.31Å; E2445-G2447 VanDerWaalsContact C-N 3.34Å; E2445-G2447 PolarHBondContact O-N 3.19Å; G2447-V2449 VanDerWaalsContact C-N 3.27Å; G2447-V2449 PolarHBondContact O-N 2.94Å; G2447-V2449 VanDerWaalsContact O-N 3.17Å; G2447-E2450 WeakPolarHBondContact O-CB 3.28Å; G2447-E2450 PolarHBondContact O-N 3.04Å; G2447-E2450 VanDerWaalsContact O-N 3.11Å; G2447-D2451 PolarHBondContact O-N 3.26Å; G2447-R2476 VanDerWaalsContact C-CD 3.47Å; G2447-R2476 VanDerWaalsContact CA-CD 3.46Å; G2447-R2476 WeakPolarHBondContact O-CD 3.48Å; G2447-R2476 VanDerWaalsContact O-CZ 3.25Å; G2447-R2476 PolarHBondContact O-NE 3.29Å; G2447-R2476 PolarHBondContact O-NH2 3.14Å |
| 2448 | I | 91.8 | Very high | 89.5 | Confident | 0.25 Ų | 0.25 | 47 Ų | 47 | 0% | 0.001 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | 177.8 | -73.2 | 165.8 | 0 | 0 | 0 | 110.9 | A2444 E2445 K2446 E2450 D2451 M2452 R2476 L2480 V2516 L2520 I2570 | A2444-I2448 VanDerWaalsContact O-CG1 3.32Å; A2444-I2448 WeakPolarHBondContact O-CG1 3.34Å; A2444-I2448 PolarHBondContact O-N 3.08Å; E2445-I2448 PolarHBondContact O-N 3.25Å; K2446-I2448 VanDerWaalsContact C-N 3.33Å; K2446-I2448 PolarHBondContact O-N 3.22Å; I2448-E2450 VanDerWaalsContact C-N 3.33Å; I2448-E2450 PolarHBondContact O-N 3.18Å; I2448-D2451 PolarHBondContact O-N 2.92Å; I2448-M2452 HydrophobicContact CG2-CE 4.24Å; I2448-M2452 VanDerWaalsContact O-CB 3.26Å; I2448-M2452 WeakPolarHBondContact O-CB 3.37Å; I2448-M2452 PolarHBondContact O-N 3.1Å; I2448-R2476 HydrophobicContact CG1-CB 3.81Å; I2448-L2480 HydrophobicContact CD1-CB 4.09Å; I2448-L2480 HydrophobicContact CD1-CD2 3.61Å; I2448-L2480 HydrophobicContact CD1-CG 4.35Å; I2448-V2516 HydrophobicContact CD1-CG1 4.45Å; I2448-L2520 HydrophobicContact CD1-CD1 4.24Å; I2448-L2520 HydrophobicContact CG1-CD1 4.4Å; I2448-L2520 HydrophobicContact CG2-CD1 3.9Å; I2448-L2520 HydrophobicContact CG2-CD2 3.8Å; I2448-L2520 HydrophobicContact CG2-CG 4.28Å; I2448-I2570 HydrophobicContact CG2-CD1 4Å |
| 2449 | V | 91.8 | Very high | 89.1 | Confident | 30.25 Ų | 30.25 | 46.1 Ų | 46.1 | 18% | 0.183 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 175.1 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | E2445 K2446 G2447 M2452 Q2453 I2570 | E2445-V2449 WeakPolarHBondContact O-CG2 3.38Å; E2445-V2449 PolarHBondContact O-N 3.25Å; E2445-V2449 VanDerWaalsContact O-N 3.12Å; K2446-V2449 PolarHBondContact O-N 3.04Å; G2447-V2449 VanDerWaalsContact C-N 3.27Å; G2447-V2449 PolarHBondContact O-N 2.94Å; G2447-V2449 VanDerWaalsContact O-N 3.17Å; V2449-M2452 WeakPolarHBondContact O-CB 3.38Å; V2449-M2452 PolarHBondContact O-N 3.34Å; V2449-Q2453 WeakPolarHBondContact O-CB 3.45Å; V2449-Q2453 VanDerWaalsContact O-CG 3.3Å; V2449-Q2453 WeakPolarHBondContact O-CG 3.36Å; V2449-Q2453 PolarHBondContact O-N 3.29Å; V2449-Q2453 VanDerWaalsContact O-N 3.12Å; V2449-I2570 HydrophobicContact CG2-CD1 3.76Å |
| 2450 | E | 91.4 | Very high | 88.4 | Confident | 87.75 Ų | 87.75 | 43.3 Ų | 43.3 | 41% | 0.41 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.8 | -70.1 | 171.8 | 179.3 | 0 | 0 | 112.4 | K2446 G2447 I2448 Q2453 T2454 | K2446-E2450 WeakPolarHBondContact CE-OE1 3.3Å; K2446-E2450 IonicContact NZ-OE1 3.37Å; K2446-E2450 PolarHBondContact NZ-OE1 3.39Å; K2446-E2450 IonicContact NZ-OE2 3.38Å; K2446-E2450 WeakPolarHBondContact O-CG 3.49Å; K2446-E2450 PolarHBondContact O-N 3.28Å; K2446-E2450 VanDerWaalsContact O-N 3.13Å; G2447-E2450 WeakPolarHBondContact O-CB 3.28Å; G2447-E2450 PolarHBondContact O-N 3.04Å; G2447-E2450 VanDerWaalsContact O-N 3.11Å; I2448-E2450 VanDerWaalsContact C-N 3.33Å; I2448-E2450 PolarHBondContact O-N 3.18Å; E2450-Q2453 PolarHBondContact O-N 3.27Å; E2450-T2454 PolarHBondContact O-N 3.04Å; E2450-T2454 VanDerWaalsContact O-N 3.14Å; E2450-T2454 PolarHBondContact O-OG1 3.11Å |
| 2451 | D | 90 | Very high | 87.7 | Confident | 6.25 Ų | 6.25 | 46.6 Ų | 46.6 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.4 | -39.6 | 175.5 | -82.4 | -14.1 | 0 | 0 | 0 | 112 | G2447 I2448 Q2453 T2454 L2455 N2472 C2473 R2476 | G2447-D2451 PolarHBondContact O-N 3.26Å; I2448-D2451 PolarHBondContact O-N 2.92Å; D2451-Q2453 VanDerWaalsContact C-N 3.29Å; D2451-Q2453 PolarHBondContact O-N 2.8Å; D2451-T2454 VanDerWaalsContact CA-OG1 3.24Å; D2451-T2454 WeakPolarHBondContact CA-OG1 3.37Å; D2451-T2454 CarbonylContact O-C 3.51Å; D2451-T2454 WeakPolarHBondContact O-CA 3.37Å; D2451-T2454 WeakPolarHBondContact O-CB 3.17Å; D2451-T2454 PolarHBondContact O-N 2.94Å; D2451-T2454 PolarHBondContact O-OG1 3Å; D2451-L2455 VanDerWaalsContact O-CB 3.23Å; D2451-L2455 WeakPolarHBondContact O-CB 3.29Å; D2451-L2455 PolarHBondContact O-N 3.26Å; D2451-N2472 VanDerWaalsContact CG-CB 3.44Å; D2451-N2472 VanDerWaalsContact OD1-CB 3.29Å; D2451-N2472 WeakPolarHBondContact OD1-CB 3.36Å; D2451-N2472 VanDerWaalsContact OD2-C 3.23Å; D2451-N2472 VanDerWaalsContact OD2-CB 3.31Å; D2451-N2472 WeakPolarHBondContact OD2-CB 3.41Å; D2451-C2473 PolarHBondContact OD1-N 3.47Å; D2451-C2473 PolarHBondContact OD2-N 2.89Å; D2451-R2476 IonicContact OD1-CZ 3.14Å; D2451-R2476 VanDerWaalsContact OD1-CZ 3.27Å; D2451-R2476 IonicContact OD1-NE 3.31Å; D2451-R2476 PolarHBondContact OD1-NE 3.02Å; D2451-R2476 IonicContact OD1-NH1 2.97Å; D2451-R2476 PolarHBondContact OD1-NH1 3.04Å; D2451-R2476 IonicContact OD1-NH2 2.88Å; D2451-R2476 PolarHBondContact OD1-NH2 3.15Å; D2451-R2476 VanDerWaalsContact OD2-CD 3.32Å; D2451-R2476 WeakPolarHBondContact OD2-CD 3.44Å; D2451-R2476 IonicContact OD2-CZ 3.49Å; D2451-R2476 IonicContact OD2-NE 3.25Å; D2451-R2476 PolarHBondContact OD2-NE 3.17Å; D2451-R2476 VanDerWaalsContact OD2-NE 3.09Å; D2451-R2476 IonicContact OD2-NH1 3.3Å; D2451-R2476 PolarHBondContact OD2-NH1 3.31Å; D2451-R2476 VanDerWaalsContact OD2-NH1 3.11Å; D2451-R2476 IonicContact OD2-NH2 3.26Å; D2451-R2476 PolarHBondContact OD2-NH2 3.29Å; D2451-R2476 VanDerWaalsContact OD2-NH2 3.12Å |
| 2452 | M | 90.1 | Very high | 87.2 | Confident | 2.75 Ų | 2.75 | 50.3 Ų | 50.3 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 175.8 | -168.3 | -177.3 | 11.3 | 0 | 0 | 110.9 | I2448 V2449 T2454 L2455 I2456 L2520 L2523 A2563 V2566 I2567 I2570 | I2448-M2452 HydrophobicContact CG2-CE 4.24Å; I2448-M2452 VanDerWaalsContact O-CB 3.26Å; I2448-M2452 WeakPolarHBondContact O-CB 3.37Å; I2448-M2452 PolarHBondContact O-N 3.1Å; V2449-M2452 WeakPolarHBondContact O-CB 3.38Å; V2449-M2452 PolarHBondContact O-N 3.34Å; M2452-T2454 VanDerWaalsContact C-N 3.34Å; M2452-T2454 PolarHBondContact O-N 3.25Å; M2452-L2455 WeakPolarHBondContact O-CB 3.46Å; M2452-L2455 PolarHBondContact O-N 3.15Å; M2452-I2456 HydrophobicContact CG-CD1 3.94Å; M2452-I2456 VanDerWaalsContact O-CD1 3.29Å; M2452-I2456 WeakPolarHBondContact O-CD1 3.41Å; M2452-I2456 VanDerWaalsContact O-CG1 3.26Å; M2452-I2456 WeakPolarHBondContact O-CG1 3.25Å; M2452-I2456 PolarHBondContact O-N 3.13Å; M2452-I2456 VanDerWaalsContact O-N 3.07Å; M2452-L2520 HydrophobicContact CE-CD2 4.47Å; M2452-L2520 HydrophobicContact CG-CD2 4.35Å; M2452-L2520 HydrophobicContact SD-CD2 4.23Å; M2452-L2523 HydrophobicContact CB-CD2 4.26Å; M2452-L2523 HydrophobicContact CE-CD1 4.43Å; M2452-L2523 HydrophobicContact CG-CD1 4.27Å; M2452-L2523 HydrophobicContact CG-CD2 3.6Å; M2452-L2523 HydrophobicContact CG-CG 4.36Å; M2452-L2523 HydrophobicContact SD-CD1 4.41Å; M2452-L2523 HydrophobicContact SD-CD2 4.07Å; M2452-A2563 VanDerWaalsContact CE-CA 3.49Å; M2452-A2563 HydrophobicContact CE-CB 4.01Å; M2452-A2563 VanDerWaalsContact CE-O 3.27Å; M2452-A2563 WeakPolarHBondContact CE-O 3.39Å; M2452-A2563 HydrophobicContact CG-CB 4.24Å; M2452-A2563 HydrophobicContact SD-CB 3.84Å; M2452-V2566 HydrophobicContact CE-CB 3.75Å; M2452-V2566 HydrophobicContact CE-CG1 3.79Å; M2452-V2566 VanDerWaalsContact CE-CG1 3.45Å; M2452-V2566 HydrophobicContact CE-CG2 4.45Å; M2452-V2566 HydrophobicContact SD-CB 4.12Å; M2452-V2566 HydrophobicContact SD-CG1 3.75Å; M2452-V2566 VanDerWaalsContact SD-CG1 3.57Å; M2452-V2566 HydrophobicContact SD-CG2 4.23Å; M2452-I2567 HydrophobicContact CE-CD1 4.04Å; M2452-I2567 HydrophobicContact CE-CG1 3.77Å; M2452-I2567 VanDerWaalsContact CE-CG1 3.45Å; M2452-I2567 HydrophobicContact SD-CD1 4.31Å; M2452-I2567 HydrophobicContact SD-CG1 4.07Å; M2452-I2570 HydrophobicContact CE-CD1 4.31Å |
| 2453 | Q | 89.6 | Confident | 86.8 | Confident | 105.5 Ų | 105.5 | 48.6 Ų | 48.6 | 49% | 0.493 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.8 | -30.3 | 175.9 | -91.5 | 176.1 | 21.5 | 0 | 0 | 113.1 | V2449 E2450 D2451 K2457 | V2449-Q2453 WeakPolarHBondContact O-CB 3.45Å; V2449-Q2453 VanDerWaalsContact O-CG 3.3Å; V2449-Q2453 WeakPolarHBondContact O-CG 3.36Å; V2449-Q2453 PolarHBondContact O-N 3.29Å; V2449-Q2453 VanDerWaalsContact O-N 3.12Å; E2450-Q2453 PolarHBondContact O-N 3.27Å; D2451-Q2453 VanDerWaalsContact C-N 3.29Å; D2451-Q2453 PolarHBondContact O-N 2.8Å; Q2453-K2457 WeakPolarHBondContact O-CB 3.33Å; Q2453-K2457 VanDerWaalsContact O-CD 3.25Å; Q2453-K2457 WeakPolarHBondContact O-CD 3.42Å; Q2453-K2457 WeakPolarHBondContact O-CE 3.46Å; Q2453-K2457 VanDerWaalsContact O-CG 3.26Å; Q2453-K2457 WeakPolarHBondContact O-CG 3.43Å; Q2453-K2457 PolarHBondContact O-N 3.36Å; Q2453-K2457 PolarHBondContact O-NZ 3.36Å |
| 2454 | T | 87.4 | Confident | 86.4 | Confident | 57.5 Ų | 57.5 | 46 Ų | 46 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74.9 | -43.5 | 173.1 | 32.1 | 0 | 0 | 0 | 0 | 111 | E2450 D2451 M2452 I2456 K2457 T2458 S2469 | E2450-T2454 PolarHBondContact O-N 3.04Å; E2450-T2454 VanDerWaalsContact O-N 3.14Å; E2450-T2454 PolarHBondContact O-OG1 3.11Å; D2451-T2454 VanDerWaalsContact CA-OG1 3.24Å; D2451-T2454 WeakPolarHBondContact CA-OG1 3.37Å; D2451-T2454 CarbonylContact O-C 3.51Å; D2451-T2454 WeakPolarHBondContact O-CA 3.37Å; D2451-T2454 WeakPolarHBondContact O-CB 3.17Å; D2451-T2454 PolarHBondContact O-N 2.94Å; D2451-T2454 PolarHBondContact O-OG1 3Å; M2452-T2454 VanDerWaalsContact C-N 3.34Å; M2452-T2454 PolarHBondContact O-N 3.25Å; T2454-I2456 VanDerWaalsContact C-N 3.33Å; T2454-I2456 PolarHBondContact O-N 3.08Å; T2454-K2457 WeakPolarHBondContact O-CA 3.45Å; T2454-K2457 WeakPolarHBondContact O-CB 3.28Å; T2454-K2457 PolarHBondContact O-N 3Å; T2454-T2458 HydrophobicContact CG2-CG2 4.29Å; T2454-T2458 WeakPolarHBondContact O-CB 3.5Å; T2454-T2458 VanDerWaalsContact O-CG2 3.3Å; T2454-T2458 WeakPolarHBondContact O-CG2 3.41Å; T2454-T2458 PolarHBondContact O-N 3.19Å; T2454-T2458 PolarHBondContact O-OG1 3.16Å; T2454-T2458 VanDerWaalsContact O-OG1 3.04Å; T2454-S2469 WeakPolarHBondContact OG1-CB 3.34Å; T2454-S2469 PolarHBondContact OG1-OG 3.17Å |
| 2455 | L | 87.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.4 | -53.3 | 175.7 | -175.2 | 150.1 | 0 | 0 | 0 | 110.8 | D2451 M2452 K2457 T2458 T2459 L2466 L2523 L2524 L2559 | D2451-L2455 VanDerWaalsContact O-CB 3.23Å; D2451-L2455 WeakPolarHBondContact O-CB 3.29Å; D2451-L2455 PolarHBondContact O-N 3.26Å; M2452-L2455 WeakPolarHBondContact O-CB 3.46Å; M2452-L2455 PolarHBondContact O-N 3.15Å; L2455-K2457 PolarHBondContact O-N 3.27Å; L2455-K2457 VanDerWaalsContact O-N 3.08Å; L2455-T2458 WeakPolarHBondContact CA-OG1 3.32Å; L2455-T2458 PolarHBondContact O-N 3.14Å; L2455-T2458 VanDerWaalsContact O-N 3.08Å; L2455-T2458 PolarHBondContact O-OG1 3.25Å; L2455-T2458 VanDerWaalsContact O-OG1 3.07Å; L2455-T2459 VanDerWaalsContact O-CB 3.26Å; L2455-T2459 WeakPolarHBondContact O-CB 3.44Å; L2455-T2459 PolarHBondContact O-N 3.17Å; L2455-T2459 PolarHBondContact O-OG1 3.29Å; L2455-L2466 HydrophobicContact CD1-CD1 4.02Å; L2455-L2466 HydrophobicContact CD2-CD1 4.48Å; L2455-L2466 HydrophobicContact CG-CD1 4.12Å; L2455-L2523 HydrophobicContact CD1-CD2 4.24Å; L2455-L2523 HydrophobicContact CD2-CD2 4.11Å; L2455-L2523 HydrophobicContact CD2-CG 4.21Å; L2455-L2524 HydrophobicContact CD1-CD2 3.61Å; L2455-L2524 HydrophobicContact CD1-CG 4.36Å; L2455-L2559 HydrophobicContact CD2-CD1 4.12Å; L2455-L2559 HydrophobicContact CD2-CD2 4.38Å |
| 2456 | I | 87.8 | Confident | 85.9 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.195 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -32.8 | -179.8 | -66.4 | 161.8 | 0 | 0 | 0 | 112.3 | M2452 T2454 L2559 N2560 A2563 | M2452-I2456 HydrophobicContact CG-CD1 3.94Å; M2452-I2456 VanDerWaalsContact O-CD1 3.29Å; M2452-I2456 WeakPolarHBondContact O-CD1 3.41Å; M2452-I2456 VanDerWaalsContact O-CG1 3.26Å; M2452-I2456 WeakPolarHBondContact O-CG1 3.25Å; M2452-I2456 PolarHBondContact O-N 3.13Å; M2452-I2456 VanDerWaalsContact O-N 3.07Å; T2454-I2456 VanDerWaalsContact C-N 3.33Å; T2454-I2456 PolarHBondContact O-N 3.08Å; I2456-L2559 HydrophobicContact CB-CD2 4.45Å; I2456-L2559 HydrophobicContact CG1-CD2 4.08Å; I2456-L2559 HydrophobicContact CG1-CG 4.29Å; I2456-L2559 HydrophobicContact CG2-CD2 4.46Å; I2456-N2560 WeakPolarHBondContact CG2-OD1 3.42Å; I2456-A2563 HydrophobicContact CD1-CB 3.49Å; I2456-A2563 HydrophobicContact CG1-CB 4.39Å |
| 2457 | K | 85.9 | Confident | 85.7 | Confident | 149 Ų | 149 | 42.2 Ų | 42.2 | 65% | 0.648 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -78.2 | -34.9 | 178.1 | -87.2 | 171.5 | -173.6 | 171.8 | 0 | 112.9 | Q2453 T2454 L2455 T2461 | Q2453-K2457 WeakPolarHBondContact O-CB 3.33Å; Q2453-K2457 VanDerWaalsContact O-CD 3.25Å; Q2453-K2457 WeakPolarHBondContact O-CD 3.42Å; Q2453-K2457 WeakPolarHBondContact O-CE 3.46Å; Q2453-K2457 VanDerWaalsContact O-CG 3.26Å; Q2453-K2457 WeakPolarHBondContact O-CG 3.43Å; Q2453-K2457 PolarHBondContact O-N 3.36Å; Q2453-K2457 PolarHBondContact O-NZ 3.36Å; T2454-K2457 WeakPolarHBondContact O-CA 3.45Å; T2454-K2457 WeakPolarHBondContact O-CB 3.28Å; T2454-K2457 PolarHBondContact O-N 3Å; L2455-K2457 PolarHBondContact O-N 3.27Å; L2455-K2457 VanDerWaalsContact O-N 3.08Å; K2457-T2461 PolarHBondContact O-OG1 3.09Å |
| 2458 | T | 81.5 | Confident | 85.6 | Confident | 22.25 Ų | 22.25 | 46.6 Ų | 46.6 | 14% | 0.137 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -90.9 | -23.6 | -173.5 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | T2454 L2455 S2460 T2461 D2462 A2465 S2469 | T2454-T2458 HydrophobicContact CG2-CG2 4.29Å; T2454-T2458 WeakPolarHBondContact O-CB 3.5Å; T2454-T2458 VanDerWaalsContact O-CG2 3.3Å; T2454-T2458 WeakPolarHBondContact O-CG2 3.41Å; T2454-T2458 PolarHBondContact O-N 3.19Å; T2454-T2458 PolarHBondContact O-OG1 3.16Å; T2454-T2458 VanDerWaalsContact O-OG1 3.04Å; L2455-T2458 WeakPolarHBondContact CA-OG1 3.32Å; L2455-T2458 PolarHBondContact O-N 3.14Å; L2455-T2458 VanDerWaalsContact O-N 3.08Å; L2455-T2458 PolarHBondContact O-OG1 3.25Å; L2455-T2458 VanDerWaalsContact O-OG1 3.07Å; T2458-S2460 PolarHBondContact O-N 3.29Å; T2458-T2461 PolarHBondContact O-N 3.13Å; T2458-T2461 VanDerWaalsContact O-N 3.11Å; T2458-T2461 PolarHBondContact O-OG1 3.23Å; T2458-D2462 PolarHBondContact O-N 2.86Å; T2458-D2462 VanDerWaalsContact O-N 3.1Å; T2458-A2465 HydrophobicContact CG2-CB 3.58Å; T2458-S2469 PolarHBondContact OG1-OG 3.39Å |
| 2459 | T | 78.6 | Confident | 85.5 | Confident | 2.5 Ų | 2.5 | 46.9 Ų | 46.9 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -32.2 | -173.4 | -64.6 | 0 | 0 | 0 | 0 | 114.4 | L2455 L2466 I2530 L2559 | L2455-T2459 VanDerWaalsContact O-CB 3.26Å; L2455-T2459 WeakPolarHBondContact O-CB 3.44Å; L2455-T2459 PolarHBondContact O-N 3.17Å; L2455-T2459 PolarHBondContact O-OG1 3.29Å; T2459-L2466 HydrophobicContact CG2-CD1 4.35Å; T2459-L2466 HydrophobicContact CG2-CD2 4.27Å; T2459-I2530 HydrophobicContact CG2-CB 3.59Å; T2459-I2530 HydrophobicContact CG2-CD1 3.91Å; T2459-I2530 HydrophobicContact CG2-CG1 4.38Å; T2459-I2530 HydrophobicContact CG2-CG2 3.63Å; T2459-L2559 HydrophobicContact CG2-CD2 4.32Å |
| 2460 | S | 75.9 | Confident | 85.4 | Confident | 45.5 Ų | 45.5 | 45.5 Ų | 45.5 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -4 | -177.3 | 55.2 | 0 | 0 | 0 | 0 | 115.3 | T2458 M2552 | T2458-S2460 PolarHBondContact O-N 3.29Å; S2460-M2552 VanDerWaalsContact CB-CE 3.48Å |
| 2461 | T | 74 | Confident | 85.3 | Confident | 108.75 Ų | 108.75 | 44.3 Ų | 44.3 | 67% | 0.667 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | -32.4 | -166.3 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | K2457 T2458 | K2457-T2461 PolarHBondContact O-OG1 3.09Å; T2458-T2461 PolarHBondContact O-N 3.13Å; T2458-T2461 VanDerWaalsContact O-N 3.11Å; T2458-T2461 PolarHBondContact O-OG1 3.23Å |
| 2462 | D | 80.2 | Confident | 85.4 | Confident | 77.5 Ų | 77.5 | 46.6 Ų | 46.6 | 41% | 0.414 | 25% | 0.25 | S | S | . | . | trans | -149.1 | 115.2 | -174.7 | -179.1 | -1.2 | 0 | 0 | 0 | 111.3 | T2458 D2464 A2465 L2466 | T2458-D2462 PolarHBondContact O-N 2.86Å; T2458-D2462 VanDerWaalsContact O-N 3.1Å; D2462-D2464 VanDerWaalsContact C-N 3.3Å; D2462-D2464 PolarHBondContact O-N 2.91Å; D2462-D2464 WeakPolarHBondContact OD1-CB 3.38Å; D2462-D2464 PolarHBondContact OD1-N 3.1Å; D2462-A2465 HydrophobicContact CB-CB 3.85Å; D2462-A2465 VanDerWaalsContact CG-N 3.34Å; D2462-A2465 PolarHBondContact O-N 2.85Å; D2462-A2465 PolarHBondContact OD1-N 3.28Å; D2462-A2465 VanDerWaalsContact OD2-CB 3.26Å; D2462-A2465 WeakPolarHBondContact OD2-CB 3.37Å; D2462-A2465 PolarHBondContact OD2-N 3.04Å; D2462-L2466 VanDerWaalsContact O-CB 3.26Å; D2462-L2466 WeakPolarHBondContact O-CB 3.39Å; D2462-L2466 PolarHBondContact O-N 3.23Å | ||
| 2463 | Q | 82.2 | Confident | 85.4 | Confident | 41.5 Ų | 41.5 | 46.5 Ų | 46.5 | 19% | 0.194 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.7 | -34.1 | 178 | -68.7 | -74.2 | -34.4 | 0 | 0 | 112.6 | G2381 A2467 S2531 | G2381-Q2463 VanDerWaalsContact CA-O 3.3Å; G2381-Q2463 WeakPolarHBondContact CA-O 3.37Å; G2381-Q2463 VanDerWaalsContact CA-OE1 3.31Å; G2381-Q2463 PolarHBondContact N-O 3.03Å; Q2463-A2467 WeakPolarHBondContact O-CB 3.35Å; Q2463-A2467 PolarHBondContact O-N 3.24Å; Q2463-S2531 VanDerWaalsContact CD-OG 3.28Å; Q2463-S2531 PolarHBondContact NE2-O 2.91Å; Q2463-S2531 VanDerWaalsContact NE2-O 3.11Å; Q2463-S2531 PolarHBondContact NE2-OG 3.29Å; Q2463-S2531 VanDerWaalsContact NE2-OG 3.11Å; Q2463-S2531 PolarHBondContact OE1-OG 2.89Å; Q2463-S2531 VanDerWaalsContact OE1-OG 3.13Å |
| 2464 | D | 84 | Confident | 85.5 | Confident | 69.25 Ų | 69.25 | 43 Ų | 43 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -77.2 | -42.6 | -179.4 | -80.8 | -2.2 | 0 | 0 | 0 | 110.8 | R2380 D2462 L2466 A2467 I2468 | R2380-D2464 VanDerWaalsContact CD-OD1 3.26Å; R2380-D2464 WeakPolarHBondContact CD-OD1 3.44Å; R2380-D2464 IonicContact CZ-OD1 3.33Å; R2380-D2464 VanDerWaalsContact CZ-OD1 3.28Å; R2380-D2464 IonicContact CZ-OD2 3.29Å; R2380-D2464 IonicContact NE-OD1 3.59Å; R2380-D2464 VanDerWaalsContact NH1-CG 3.31Å; R2380-D2464 IonicContact NH1-OD1 3.1Å; R2380-D2464 PolarHBondContact NH1-OD1 3.05Å; R2380-D2464 IonicContact NH1-OD2 3.09Å; R2380-D2464 PolarHBondContact NH1-OD2 3.33Å; R2380-D2464 IonicContact NH2-OD2 3.57Å; D2462-D2464 VanDerWaalsContact C-N 3.3Å; D2462-D2464 PolarHBondContact O-N 2.91Å; D2462-D2464 WeakPolarHBondContact OD1-CB 3.38Å; D2462-D2464 PolarHBondContact OD1-N 3.1Å; D2464-L2466 VanDerWaalsContact C-N 3.32Å; D2464-L2466 PolarHBondContact O-N 3.08Å; D2464-A2467 WeakPolarHBondContact O-CB 3.44Å; D2464-A2467 PolarHBondContact O-N 3.23Å; D2464-A2467 VanDerWaalsContact O-N 3.17Å; D2464-I2468 WeakPolarHBondContact O-CG1 3.41Å; D2464-I2468 PolarHBondContact O-N 3Å; D2464-I2468 VanDerWaalsContact O-N 3.07Å |
| 2465 | A | 85.3 | Confident | 85.8 | Confident | 22.25 Ų | 22.25 | 43.4 Ų | 43.4 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T2458 D2462 A2467 I2468 S2469 | T2458-A2465 HydrophobicContact CG2-CB 3.58Å; D2462-A2465 HydrophobicContact CB-CB 3.85Å; D2462-A2465 VanDerWaalsContact CG-N 3.34Å; D2462-A2465 PolarHBondContact O-N 2.85Å; D2462-A2465 PolarHBondContact OD1-N 3.28Å; D2462-A2465 VanDerWaalsContact OD2-CB 3.26Å; D2462-A2465 WeakPolarHBondContact OD2-CB 3.37Å; D2462-A2465 PolarHBondContact OD2-N 3.04Å; A2465-A2467 VanDerWaalsContact C-N 3.34Å; A2465-A2467 PolarHBondContact O-N 3.45Å; A2465-I2468 PolarHBondContact O-N 3.13Å; A2465-S2469 WeakPolarHBondContact O-CA 3.43Å; A2465-S2469 WeakPolarHBondContact O-CB 3.38Å; A2465-S2469 PolarHBondContact O-N 3.29Å; A2465-S2469 PolarHBondContact O-OG 2.74Å |
| 2466 | L | 86.7 | Confident | 86 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 170.7 | 177.9 | 59.6 | 0 | 0 | 0 | 111.5 | L2455 T2459 D2462 D2464 I2468 S2469 A2470 | L2455-L2466 HydrophobicContact CD1-CD1 4.02Å; L2455-L2466 HydrophobicContact CD2-CD1 4.48Å; L2455-L2466 HydrophobicContact CG-CD1 4.12Å; T2459-L2466 HydrophobicContact CG2-CD1 4.35Å; T2459-L2466 HydrophobicContact CG2-CD2 4.27Å; D2462-L2466 VanDerWaalsContact O-CB 3.26Å; D2462-L2466 WeakPolarHBondContact O-CB 3.39Å; D2462-L2466 PolarHBondContact O-N 3.23Å; D2464-L2466 VanDerWaalsContact C-N 3.32Å; D2464-L2466 PolarHBondContact O-N 3.08Å; L2466-I2468 VanDerWaalsContact C-N 3.34Å; L2466-I2468 PolarHBondContact O-N 3.18Å; L2466-S2469 VanDerWaalsContact O-CA 3.28Å; L2466-S2469 WeakPolarHBondContact O-CA 3.27Å; L2466-S2469 PolarHBondContact O-N 3.06Å; L2466-A2470 WeakPolarHBondContact O-CB 3.33Å; L2466-A2470 PolarHBondContact O-N 2.95Å |
| 2467 | A | 86.5 | Confident | 86.3 | Confident | 14.5 Ų | 14.5 | 44.2 Ų | 44.2 | 12% | 0.12 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2384 Q2463 D2464 A2465 S2469 A2470 Q2471 | A2384-A2467 HydrophobicContact CB-CB 3.49Å; A2384-A2467 VanDerWaalsContact CB-CB 3.48Å; Q2463-A2467 WeakPolarHBondContact O-CB 3.35Å; Q2463-A2467 PolarHBondContact O-N 3.24Å; D2464-A2467 WeakPolarHBondContact O-CB 3.44Å; D2464-A2467 PolarHBondContact O-N 3.23Å; D2464-A2467 VanDerWaalsContact O-N 3.17Å; A2465-A2467 VanDerWaalsContact C-N 3.34Å; A2465-A2467 PolarHBondContact O-N 3.45Å; A2467-S2469 VanDerWaalsContact C-N 3.34Å; A2467-A2470 PolarHBondContact O-N 3.37Å; A2467-Q2471 WeakPolarHBondContact O-CB 3.46Å; A2467-Q2471 PolarHBondContact O-N 3.02Å; A2467-Q2471 VanDerWaalsContact O-N 3.13Å |
| 2468 | I | 89.6 | Confident | 86.6 | Confident | 98.25 Ų | 98.25 | 39.4 Ų | 39.4 | 50% | 0.504 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -46 | 174.5 | -66.1 | 165.4 | 0 | 0 | 0 | 110.4 | D2464 A2465 L2466 A2470 Q2471 N2472 | D2464-I2468 WeakPolarHBondContact O-CG1 3.41Å; D2464-I2468 PolarHBondContact O-N 3Å; D2464-I2468 VanDerWaalsContact O-N 3.07Å; A2465-I2468 PolarHBondContact O-N 3.13Å; L2466-I2468 VanDerWaalsContact C-N 3.34Å; L2466-I2468 PolarHBondContact O-N 3.18Å; I2468-A2470 VanDerWaalsContact C-N 3.34Å; I2468-A2470 PolarHBondContact O-N 3.19Å; I2468-Q2471 PolarHBondContact O-N 2.95Å; I2468-N2472 VanDerWaalsContact O-CG 3.27Å; I2468-N2472 PolarHBondContact O-N 3.38Å; I2468-N2472 PolarHBondContact O-ND2 2.68Å; I2468-N2472 PolarHBondContact O-OD1 3.48Å |
| 2469 | S | 88.7 | Confident | 87.1 | Confident | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55 | -48.5 | 175.8 | -48.2 | 0 | 0 | 0 | 0 | 112.3 | T2454 T2458 A2465 L2466 A2467 Q2471 N2472 C2473 | T2454-S2469 WeakPolarHBondContact OG1-CB 3.34Å; T2454-S2469 PolarHBondContact OG1-OG 3.17Å; T2458-S2469 PolarHBondContact OG1-OG 3.39Å; A2465-S2469 WeakPolarHBondContact O-CA 3.43Å; A2465-S2469 WeakPolarHBondContact O-CB 3.38Å; A2465-S2469 PolarHBondContact O-N 3.29Å; A2465-S2469 PolarHBondContact O-OG 2.74Å; L2466-S2469 VanDerWaalsContact O-CA 3.28Å; L2466-S2469 WeakPolarHBondContact O-CA 3.27Å; L2466-S2469 PolarHBondContact O-N 3.06Å; A2467-S2469 VanDerWaalsContact C-N 3.34Å; S2469-Q2471 VanDerWaalsContact C-N 3.33Å; S2469-Q2471 PolarHBondContact O-N 3.22Å; S2469-N2472 PolarHBondContact O-N 2.83Å; S2469-C2473 PolarHBondContact O-N 3.24Å; S2469-C2473 VanDerWaalsContact O-N 3.12Å; S2469-C2473 PolarHBondContact O-SG 2.95Å; S2469-C2473 VanDerWaalsContact O-SG 3.32Å |
| 2470 | A | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2388 L2466 A2467 I2468 C2473 F2474 L2524 | A2388-A2470 HydrophobicContact CB-CB 4.29Å; L2466-A2470 WeakPolarHBondContact O-CB 3.33Å; L2466-A2470 PolarHBondContact O-N 2.95Å; A2467-A2470 PolarHBondContact O-N 3.37Å; I2468-A2470 VanDerWaalsContact C-N 3.34Å; I2468-A2470 PolarHBondContact O-N 3.19Å; A2470-C2473 WeakPolarHBondContact O-CB 3.16Å; A2470-C2473 PolarHBondContact O-N 3.2Å; A2470-F2474 PolarHBondContact O-N 3.09Å; A2470-F2474 VanDerWaalsContact O-N 3.13Å; A2470-L2524 HydrophobicContact CB-CD2 3.6Å |
| 2471 | Q | 90.9 | Very high | 88.6 | Confident | 63 Ų | 63 | 40.9 Ų | 40.9 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.8 | -37.8 | 177.4 | 179.6 | 56.9 | 30.2 | 0 | 0 | 112.2 | A2467 I2468 S2469 F2474 I2475 H3230 | A2467-Q2471 WeakPolarHBondContact O-CB 3.46Å; A2467-Q2471 PolarHBondContact O-N 3.02Å; A2467-Q2471 VanDerWaalsContact O-N 3.13Å; I2468-Q2471 PolarHBondContact O-N 2.95Å; S2469-Q2471 VanDerWaalsContact C-N 3.33Å; S2469-Q2471 PolarHBondContact O-N 3.22Å; Q2471-F2474 WeakPolarHBondContact O-CB 3.48Å; Q2471-F2474 PolarHBondContact O-N 3.11Å; Q2471-I2475 HydrophobicContact CG-CD1 4.29Å; Q2471-I2475 WeakPolarHBondContact O-CG1 3.33Å; Q2471-I2475 PolarHBondContact O-N 3.19Å; Q2471-H3230 VanDerWaalsContact CD-CE1 3.42Å; Q2471-H3230 PolarHBondContact NE2-ND1 2.82Å; Q2471-H3230 VanDerWaalsContact NE2-ND1 3.18Å; Q2471-H3230 PolarHBondContact OE1-CE1 2.88Å; Q2471-H3230 PolarHBondContact OE1-ND1 3.18Å |
| 2472 | N | 91.1 | Very high | 89.4 | Confident | 54.5 Ų | 54.5 | 40.8 Ų | 40.8 | 29% | 0.291 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 175 | -68.7 | -14.3 | 0 | 0 | 0 | 111.6 | D2451 I2468 S2469 F2474 I2475 R2476 | D2451-N2472 VanDerWaalsContact CG-CB 3.44Å; D2451-N2472 VanDerWaalsContact OD1-CB 3.29Å; D2451-N2472 WeakPolarHBondContact OD1-CB 3.36Å; D2451-N2472 VanDerWaalsContact OD2-C 3.23Å; D2451-N2472 VanDerWaalsContact OD2-CB 3.31Å; D2451-N2472 WeakPolarHBondContact OD2-CB 3.41Å; I2468-N2472 VanDerWaalsContact O-CG 3.27Å; I2468-N2472 PolarHBondContact O-N 3.38Å; I2468-N2472 PolarHBondContact O-ND2 2.68Å; I2468-N2472 PolarHBondContact O-OD1 3.48Å; S2469-N2472 PolarHBondContact O-N 2.83Å; N2472-F2474 VanDerWaalsContact C-N 3.26Å; N2472-F2474 PolarHBondContact O-N 3.01Å; N2472-I2475 PolarHBondContact O-N 3.18Å; N2472-I2475 VanDerWaalsContact O-N 3.13Å; N2472-R2476 WeakPolarHBondContact O-CG 3.46Å; N2472-R2476 PolarHBondContact O-N 3.22Å |
| 2473 | C | 90.7 | Very high | 89.9 | Confident | 0.75 Ų | 0.75 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.8 | -42.9 | 172.7 | -75.8 | 0 | 0 | 0 | 0 | 111.8 | D2451 S2469 A2470 A2477 | D2451-C2473 PolarHBondContact OD1-N 3.47Å; D2451-C2473 PolarHBondContact OD2-N 2.89Å; S2469-C2473 PolarHBondContact O-N 3.24Å; S2469-C2473 VanDerWaalsContact O-N 3.12Å; S2469-C2473 PolarHBondContact O-SG 2.95Å; S2469-C2473 VanDerWaalsContact O-SG 3.32Å; A2470-C2473 WeakPolarHBondContact O-CB 3.16Å; A2470-C2473 PolarHBondContact O-N 3.2Å; C2473-A2477 VanDerWaalsContact O-CB 3.26Å; C2473-A2477 WeakPolarHBondContact O-CB 3.41Å; C2473-A2477 PolarHBondContact O-N 2.94Å |
| 2474 | F | 92.5 | Very high | 90.3 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 176.5 | 165.5 | -106.2 | 0 | 0 | 0 | 112.9 | A2388 K2391 L2392 L2395 A2470 Q2471 N2472 R2476 A2477 T2478 D3227 | A2388-F2474 HydrophobicContact CB-CB 4.29Å; K2391-F2474 HydrophobicContact CB-CD2 3.54Å; K2391-F2474 HydrophobicContact CB-CE2 3.34Å; K2391-F2474 HydrophobicContact CB-CG 4.32Å; K2391-F2474 HydrophobicContact CB-CZ 3.95Å; K2391-F2474 HydrophobicContact CD-CD1 3.95Å; K2391-F2474 HydrophobicContact CD-CD2 4.12Å; K2391-F2474 HydrophobicContact CD-CE1 3.77Å; K2391-F2474 HydrophobicContact CD-CE2 3.96Å; K2391-F2474 HydrophobicContact CD-CG 4.13Å; K2391-F2474 HydrophobicContact CD-CZ 3.77Å; K2391-F2474 HydrophobicContact CG-CD2 4.12Å; K2391-F2474 HydrophobicContact CG-CE2 4.23Å; K2391-F2474 HydrophobicContact CG-CG 4.36Å; K2391-F2474 HydrophobicContact CG-CZ 4.4Å; L2392-F2474 HydrophobicContact CD2-CD2 4.25Å; L2392-F2474 HydrophobicContact CG-CD2 4.42Å; L2395-F2474 HydrophobicContact CD1-CD2 4.43Å; L2395-F2474 HydrophobicContact CD1-CE2 4.18Å; A2470-F2474 PolarHBondContact O-N 3.09Å; A2470-F2474 VanDerWaalsContact O-N 3.13Å; Q2471-F2474 WeakPolarHBondContact O-CB 3.48Å; Q2471-F2474 PolarHBondContact O-N 3.11Å; N2472-F2474 VanDerWaalsContact C-N 3.26Å; N2472-F2474 PolarHBondContact O-N 3.01Å; F2474-R2476 VanDerWaalsContact C-N 3.34Å; F2474-R2476 PolarHBondContact O-N 3.29Å; F2474-A2477 PolarHBondContact O-N 3.04Å; F2474-T2478 WeakPolarHBondContact CE2-OG1 3.41Å; F2474-T2478 WeakPolarHBondContact CZ-OG1 3.28Å; F2474-T2478 PolarHBondContact O-N 3.06Å; F2474-T2478 PolarHBondContact O-OG1 3.22Å; F2474-D3227 WeakPolarHBondContact CE1-OD1 3.43Å |
| 2475 | I | 93.5 | Very high | 90.5 | Very high | 67 Ų | 67 | 35.7 Ų | 35.7 | 34% | 0.344 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.2 | -49.9 | 177.4 | -67.9 | 164.7 | 0 | 0 | 0 | 109.8 | Q2471 N2472 A2477 T2478 E2479 | Q2471-I2475 HydrophobicContact CG-CD1 4.29Å; Q2471-I2475 WeakPolarHBondContact O-CG1 3.33Å; Q2471-I2475 PolarHBondContact O-N 3.19Å; N2472-I2475 PolarHBondContact O-N 3.18Å; N2472-I2475 VanDerWaalsContact O-N 3.13Å; I2475-A2477 PolarHBondContact O-N 3.02Å; I2475-T2478 WeakPolarHBondContact O-CA 3.11Å; I2475-T2478 VanDerWaalsContact O-CB 3.25Å; I2475-T2478 WeakPolarHBondContact O-CB 3.21Å; I2475-T2478 PolarHBondContact O-N 3.17Å; I2475-T2478 VanDerWaalsContact O-N 3.1Å; I2475-E2479 WeakPolarHBondContact O-CG 3.38Å; I2475-E2479 PolarHBondContact O-N 3.11Å |
| 2476 | R | 91.5 | Very high | 90.5 | Very high | 54.5 Ų | 54.5 | 36.7 Ų | 36.7 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -32.8 | -179.1 | -65.5 | -150.5 | -113.8 | -107.5 | 38.3 | 113.6 | G2447 I2448 D2451 N2472 F2474 T2478 E2479 L2480 | G2447-R2476 VanDerWaalsContact C-CD 3.47Å; G2447-R2476 VanDerWaalsContact CA-CD 3.46Å; G2447-R2476 WeakPolarHBondContact O-CD 3.48Å; G2447-R2476 VanDerWaalsContact O-CZ 3.25Å; G2447-R2476 PolarHBondContact O-NE 3.29Å; G2447-R2476 PolarHBondContact O-NH2 3.14Å; I2448-R2476 HydrophobicContact CG1-CB 3.81Å; D2451-R2476 IonicContact OD1-CZ 3.14Å; D2451-R2476 VanDerWaalsContact OD1-CZ 3.27Å; D2451-R2476 IonicContact OD1-NE 3.31Å; D2451-R2476 PolarHBondContact OD1-NE 3.02Å; D2451-R2476 IonicContact OD1-NH1 2.97Å; D2451-R2476 PolarHBondContact OD1-NH1 3.04Å; D2451-R2476 IonicContact OD1-NH2 2.88Å; D2451-R2476 PolarHBondContact OD1-NH2 3.15Å; D2451-R2476 VanDerWaalsContact OD2-CD 3.32Å; D2451-R2476 WeakPolarHBondContact OD2-CD 3.44Å; D2451-R2476 IonicContact OD2-CZ 3.49Å; D2451-R2476 IonicContact OD2-NE 3.25Å; D2451-R2476 PolarHBondContact OD2-NE 3.17Å; D2451-R2476 VanDerWaalsContact OD2-NE 3.09Å; D2451-R2476 IonicContact OD2-NH1 3.3Å; D2451-R2476 PolarHBondContact OD2-NH1 3.31Å; D2451-R2476 VanDerWaalsContact OD2-NH1 3.11Å; D2451-R2476 IonicContact OD2-NH2 3.26Å; D2451-R2476 PolarHBondContact OD2-NH2 3.29Å; D2451-R2476 VanDerWaalsContact OD2-NH2 3.12Å; N2472-R2476 WeakPolarHBondContact O-CG 3.46Å; N2472-R2476 PolarHBondContact O-N 3.22Å; F2474-R2476 VanDerWaalsContact C-N 3.34Å; F2474-R2476 PolarHBondContact O-N 3.29Å; R2476-T2478 VanDerWaalsContact C-N 3.29Å; R2476-T2478 PolarHBondContact O-N 3.18Å; R2476-E2479 PolarHBondContact O-N 3.43Å; R2476-L2480 WeakPolarHBondContact O-CB 3.44Å; R2476-L2480 PolarHBondContact O-N 3.06Å |
| 2477 | A | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -33.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2392 L2395 C2473 F2474 I2475 T2481 I2517 L2520 | L2392-A2477 HydrophobicContact CD2-CB 3.31Å; L2395-A2477 HydrophobicContact CD1-CB 4.18Å; C2473-A2477 VanDerWaalsContact O-CB 3.26Å; C2473-A2477 WeakPolarHBondContact O-CB 3.41Å; C2473-A2477 PolarHBondContact O-N 2.94Å; F2474-A2477 PolarHBondContact O-N 3.04Å; I2475-A2477 PolarHBondContact O-N 3.02Å; A2477-T2481 WeakPolarHBondContact O-CB 3.32Å; A2477-T2481 PolarHBondContact O-N 3.13Å; A2477-T2481 PolarHBondContact O-OG1 3.2Å; A2477-I2517 HydrophobicContact CB-CD1 4.34Å; A2477-I2517 HydrophobicContact CB-CG1 4.44Å; A2477-L2520 HydrophobicContact CB-CD1 4.11Å |
| 2478 | T | 93.3 | Very high | 90.5 | Very high | 48.75 Ų | 48.75 | 36 Ų | 36 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.1 | -47 | 174.4 | -52 | 0 | 0 | 0 | 0 | 110.7 | F2474 I2475 R2476 L2480 T2481 E2482 | F2474-T2478 WeakPolarHBondContact CE2-OG1 3.41Å; F2474-T2478 WeakPolarHBondContact CZ-OG1 3.28Å; F2474-T2478 PolarHBondContact O-N 3.06Å; F2474-T2478 PolarHBondContact O-OG1 3.22Å; I2475-T2478 WeakPolarHBondContact O-CA 3.11Å; I2475-T2478 VanDerWaalsContact O-CB 3.25Å; I2475-T2478 WeakPolarHBondContact O-CB 3.21Å; I2475-T2478 PolarHBondContact O-N 3.17Å; I2475-T2478 VanDerWaalsContact O-N 3.1Å; R2476-T2478 VanDerWaalsContact C-N 3.29Å; R2476-T2478 PolarHBondContact O-N 3.18Å; T2478-L2480 VanDerWaalsContact C-N 3.33Å; T2478-L2480 PolarHBondContact O-N 3.03Å; T2478-T2481 WeakPolarHBondContact O-CB 3.42Å; T2478-T2481 PolarHBondContact O-N 3.21Å; T2478-T2481 VanDerWaalsContact O-N 3.12Å; T2478-E2482 PolarHBondContact O-N 3.16Å |
| 2479 | E | 92.5 | Very high | 90.1 | Very high | 97.25 Ų | 97.25 | 31.5 Ų | 31.5 | 45% | 0.454 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.1 | -41.9 | 174.6 | -68.1 | 171.7 | 175.8 | 0 | 0 | 112.1 | I2475 R2476 S2483 | I2475-E2479 WeakPolarHBondContact O-CG 3.38Å; I2475-E2479 PolarHBondContact O-N 3.11Å; R2476-E2479 PolarHBondContact O-N 3.43Å; E2479-S2483 VanDerWaalsContact O-CB 3.27Å; E2479-S2483 WeakPolarHBondContact O-CB 3.39Å; E2479-S2483 PolarHBondContact O-N 3.13Å; E2479-S2483 PolarHBondContact O-OG 3.1Å |
| 2480 | L | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.3 | -178.4 | 68.3 | 0 | 0 | 0 | 111.3 | V2441 A2444 E2445 I2448 R2476 T2478 E2482 S2483 A2484 T2513 V2516 L2573 | V2441-L2480 HydrophobicContact CB-CD1 4.49Å; V2441-L2480 HydrophobicContact CG1-CD1 3.86Å; A2444-L2480 HydrophobicContact CB-CB 3.94Å; A2444-L2480 HydrophobicContact CB-CD1 4.01Å; E2445-L2480 HydrophobicContact CG-CD1 4.25Å; I2448-L2480 HydrophobicContact CD1-CB 4.09Å; I2448-L2480 HydrophobicContact CD1-CD2 3.61Å; I2448-L2480 HydrophobicContact CD1-CG 4.35Å; R2476-L2480 WeakPolarHBondContact O-CB 3.44Å; R2476-L2480 PolarHBondContact O-N 3.06Å; T2478-L2480 VanDerWaalsContact C-N 3.33Å; T2478-L2480 PolarHBondContact O-N 3.03Å; L2480-E2482 VanDerWaalsContact C-N 3.35Å; L2480-E2482 PolarHBondContact O-N 3.29Å; L2480-S2483 PolarHBondContact O-N 2.97Å; L2480-A2484 VanDerWaalsContact O-CB 3.23Å; L2480-A2484 WeakPolarHBondContact O-CB 3.38Å; L2480-A2484 PolarHBondContact O-N 3.13Å; L2480-T2513 HydrophobicContact CD2-CG2 4.02Å; L2480-T2513 HydrophobicContact CG-CG2 3.93Å; L2480-V2516 HydrophobicContact CD2-CB 4.33Å; L2480-V2516 HydrophobicContact CD2-CG1 3.87Å; L2480-L2573 HydrophobicContact CD1-CD2 4.02Å; L2480-L2573 HydrophobicContact CD2-CD2 4.36Å |
| 2481 | T | 92.1 | Very high | 89.1 | Confident | 3.75 Ų | 3.75 | 31.5 Ų | 31.5 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | -179.9 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | L2395 L2399 A2477 T2478 K2485 I2517 | L2395-T2481 HydrophobicContact CD2-CG2 4.3Å; L2399-T2481 HydrophobicContact CD1-CG2 4.39Å; L2399-T2481 HydrophobicContact CD2-CG2 4.01Å; L2399-T2481 HydrophobicContact CG-CG2 3.98Å; A2477-T2481 WeakPolarHBondContact O-CB 3.32Å; A2477-T2481 PolarHBondContact O-N 3.13Å; A2477-T2481 PolarHBondContact O-OG1 3.2Å; T2478-T2481 WeakPolarHBondContact O-CB 3.42Å; T2478-T2481 PolarHBondContact O-N 3.21Å; T2478-T2481 VanDerWaalsContact O-N 3.12Å; T2481-K2485 HydrophobicContact CG2-CD 4.3Å; T2481-K2485 WeakPolarHBondContact O-CB 3.33Å; T2481-K2485 WeakPolarHBondContact O-CE 3.36Å; T2481-K2485 VanDerWaalsContact O-CG 3.26Å; T2481-K2485 WeakPolarHBondContact O-CG 3.24Å; T2481-K2485 PolarHBondContact O-N 3.11Å; T2481-K2485 VanDerWaalsContact O-N 3.09Å; T2481-I2517 WeakPolarHBondContact OG1-CD1 3.35Å |
| 2482 | E | 90.4 | Very high | 88.2 | Confident | 107.5 Ų | 107.5 | 29.9 Ų | 29.9 | 50% | 0.502 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.7 | -44.1 | 178.9 | -170.1 | 152.4 | -173.2 | 0 | 0 | 111.5 | T2478 L2480 A2484 K2485 N2486 | T2478-E2482 PolarHBondContact O-N 3.16Å; L2480-E2482 VanDerWaalsContact C-N 3.35Å; L2480-E2482 PolarHBondContact O-N 3.29Å; E2482-A2484 VanDerWaalsContact C-N 3.34Å; E2482-A2484 PolarHBondContact O-N 3.14Å; E2482-K2485 PolarHBondContact O-N 3.04Å; E2482-K2485 WeakPolarHBondContact OE2-CE 3.42Å; E2482-K2485 IonicContact OE2-NZ 3.79Å; E2482-K2485 PolarHBondContact OE2-NZ 3.33Å; E2482-N2486 WeakPolarHBondContact O-CB 3.36Å; E2482-N2486 VanDerWaalsContact O-CG 3.28Å; E2482-N2486 PolarHBondContact O-N 3.39Å; E2482-N2486 PolarHBondContact O-ND2 3.31Å; E2482-N2486 VanDerWaalsContact O-ND2 3.14Å |
| 2483 | S | 89.9 | Confident | 87.2 | Confident | 19.5 Ų | 19.5 | 28.1 Ų | 28.1 | 14% | 0.136 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | E2479 L2480 N2486 A2487 | E2479-S2483 VanDerWaalsContact O-CB 3.27Å; E2479-S2483 WeakPolarHBondContact O-CB 3.39Å; E2479-S2483 PolarHBondContact O-N 3.13Å; E2479-S2483 PolarHBondContact O-OG 3.1Å; L2480-S2483 PolarHBondContact O-N 2.97Å; S2483-N2486 PolarHBondContact O-N 3.33Å; S2483-A2487 WeakPolarHBondContact O-CB 3.42Å; S2483-A2487 PolarHBondContact O-N 3.23Å |
| 2484 | A | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.7 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V2441 L2480 E2482 N2486 A2487 A2488 L2509 T2513 | V2441-A2484 HydrophobicContact CG2-CB 4.41Å; L2480-A2484 VanDerWaalsContact O-CB 3.23Å; L2480-A2484 WeakPolarHBondContact O-CB 3.38Å; L2480-A2484 PolarHBondContact O-N 3.13Å; E2482-A2484 VanDerWaalsContact C-N 3.34Å; E2482-A2484 PolarHBondContact O-N 3.14Å; A2484-N2486 VanDerWaalsContact C-N 3.34Å; A2484-N2486 PolarHBondContact O-N 3.02Å; A2484-A2487 PolarHBondContact O-N 3.05Å; A2484-A2488 WeakPolarHBondContact O-CB 3.32Å; A2484-A2488 PolarHBondContact O-N 3.03Å; A2484-L2509 WeakPolarHBondContact O-CD2 3.48Å; A2484-T2513 HydrophobicContact CB-CG2 3.76Å; A2484-T2513 VanDerWaalsContact CB-OG1 3.28Å; A2484-T2513 WeakPolarHBondContact CB-OG1 3.45Å |
| 2485 | K | 88.9 | Confident | 84.9 | Confident | 61 Ų | 61 | 28.3 Ų | 28.3 | 27% | 0.265 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 172.6 | -75.8 | 179 | -119.3 | -175 | 0 | 111.5 | D2398 L2399 A2402 T2481 E2482 A2488 S2489 L2510 | D2398-K2485 WeakPolarHBondContact O-CE 3.43Å; D2398-K2485 PolarHBondContact O-NZ 2.7Å; D2398-K2485 IonicContact OD2-NZ 2.72Å; D2398-K2485 PolarHBondContact OD2-NZ 3.38Å; L2399-K2485 HydrophobicContact CD2-CG 4.41Å; A2402-K2485 HydrophobicContact CB-CD 4.44Å; A2402-K2485 HydrophobicContact CB-CG 4.41Å; T2481-K2485 HydrophobicContact CG2-CD 4.3Å; T2481-K2485 WeakPolarHBondContact O-CB 3.33Å; T2481-K2485 WeakPolarHBondContact O-CE 3.36Å; T2481-K2485 VanDerWaalsContact O-CG 3.26Å; T2481-K2485 WeakPolarHBondContact O-CG 3.24Å; T2481-K2485 PolarHBondContact O-N 3.11Å; T2481-K2485 VanDerWaalsContact O-N 3.09Å; E2482-K2485 PolarHBondContact O-N 3.04Å; E2482-K2485 WeakPolarHBondContact OE2-CE 3.42Å; E2482-K2485 IonicContact OE2-NZ 3.79Å; E2482-K2485 PolarHBondContact OE2-NZ 3.33Å; K2485-A2488 PolarHBondContact O-N 3.09Å; K2485-S2489 WeakPolarHBondContact O-CB 3.4Å; K2485-S2489 PolarHBondContact O-N 3.14Å; K2485-S2489 PolarHBondContact O-OG 2.87Å; K2485-L2510 HydrophobicContact CG-CD2 4.1Å |
| 2486 | N | 86 | Confident | 83.6 | Confident | 43.25 Ų | 43.25 | 29.5 Ų | 29.5 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 175.1 | -70 | -28.6 | 0 | 0 | 0 | 111.7 | S2414 F2415 A2437 E2482 S2483 A2484 A2488 S2489 C2490 | S2414-N2486 VanDerWaalsContact CB-OD1 3.22Å; S2414-N2486 WeakPolarHBondContact CB-OD1 3.3Å; S2414-N2486 PolarHBondContact OG-OD1 2.97Å; F2415-N2486 HydrophobicContact CE2-CB 3.99Å; F2415-N2486 WeakPolarHBondContact CE2-O 3.46Å; F2415-N2486 HydrophobicContact CZ-CB 4.22Å; F2415-N2486 WeakPolarHBondContact CZ-O 3.44Å; A2437-N2486 HydrophobicContact CB-CB 4.4Å; E2482-N2486 WeakPolarHBondContact O-CB 3.36Å; E2482-N2486 VanDerWaalsContact O-CG 3.28Å; E2482-N2486 PolarHBondContact O-N 3.39Å; E2482-N2486 PolarHBondContact O-ND2 3.31Å; E2482-N2486 VanDerWaalsContact O-ND2 3.14Å; S2483-N2486 PolarHBondContact O-N 3.33Å; A2484-N2486 VanDerWaalsContact C-N 3.34Å; A2484-N2486 PolarHBondContact O-N 3.02Å; N2486-A2488 PolarHBondContact O-N 3.12Å; N2486-S2489 WeakPolarHBondContact O-CB 3.41Å; N2486-S2489 PolarHBondContact O-N 3.12Å; N2486-S2489 PolarHBondContact O-OG 3.08Å; N2486-C2490 PolarHBondContact O-N 3.24Å; N2486-C2490 PolarHBondContact O-SG 3.24Å |
| 2487 | A | 86.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2434 A2437 V2441 S2483 A2484 S2489 C2490 T2491 L2509 | F2434-A2487 HydrophobicContact CE2-CB 4.46Å; A2437-A2487 HydrophobicContact CB-CB 3.81Å; V2441-A2487 HydrophobicContact CG2-CB 4.47Å; S2483-A2487 WeakPolarHBondContact O-CB 3.42Å; S2483-A2487 PolarHBondContact O-N 3.23Å; A2484-A2487 PolarHBondContact O-N 3.05Å; A2487-S2489 PolarHBondContact O-N 3.21Å; A2487-C2490 WeakPolarHBondContact O-CA 3.46Å; A2487-C2490 VanDerWaalsContact O-CB 3.28Å; A2487-C2490 WeakPolarHBondContact O-CB 3.41Å; A2487-C2490 PolarHBondContact O-N 3.19Å; A2487-T2491 PolarHBondContact O-N 3.14Å; A2487-T2491 VanDerWaalsContact O-N 3.12Å; A2487-T2491 PolarHBondContact O-OG1 3.1Å; A2487-L2509 HydrophobicContact CB-CD2 3.59Å |
| 2488 | A | 85.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2411 A2484 K2485 N2486 C2490 T2491 A2492 Q2506 L2509 L2510 | L2411-A2488 HydrophobicContact CD2-CB 3.79Å; A2484-A2488 WeakPolarHBondContact O-CB 3.32Å; A2484-A2488 PolarHBondContact O-N 3.03Å; K2485-A2488 PolarHBondContact O-N 3.09Å; N2486-A2488 PolarHBondContact O-N 3.12Å; A2488-C2490 VanDerWaalsContact C-N 3.32Å; A2488-C2490 PolarHBondContact O-N 3.17Å; A2488-T2491 VanDerWaalsContact O-CB 3.28Å; A2488-T2491 WeakPolarHBondContact O-CB 3.39Å; A2488-T2491 PolarHBondContact O-N 2.95Å; A2488-T2491 VanDerWaalsContact O-N 3.11Å; A2488-T2491 PolarHBondContact O-OG1 3.25Å; A2488-A2492 PolarHBondContact O-N 3.13Å; A2488-A2492 VanDerWaalsContact O-N 3.13Å; A2488-Q2506 HydrophobicContact CB-CB 4.41Å; A2488-Q2506 HydrophobicContact CB-CG 4.24Å; A2488-Q2506 VanDerWaalsContact O-CG 3.26Å; A2488-Q2506 WeakPolarHBondContact O-CG 3.38Å; A2488-L2509 HydrophobicContact CB-CD2 4.23Å; A2488-L2510 HydrophobicContact CB-CD1 4.23Å; A2488-L2510 HydrophobicContact CB-CD2 4.18Å; A2488-L2510 HydrophobicContact CB-CG 4.06Å |
| 2489 | S | 82.3 | Confident | 80 | Confident | 4.75 Ų | 4.75 | 36.8 Ų | 36.8 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.9 | -35.4 | 175.2 | 91.1 | 0 | 0 | 0 | 0 | 112.7 | E2413 S2414 F2415 K2485 N2486 A2487 T2491 A2492 S2493 | E2413-S2489 WeakPolarHBondContact CA-OG 3.45Å; S2414-S2489 PolarHBondContact N-OG 2.77Å; S2414-S2489 VanDerWaalsContact N-OG 3.09Å; F2415-S2489 VanDerWaalsContact CE2-OG 3.29Å; F2415-S2489 WeakPolarHBondContact CE2-OG 3.26Å; K2485-S2489 WeakPolarHBondContact O-CB 3.4Å; K2485-S2489 PolarHBondContact O-N 3.14Å; K2485-S2489 PolarHBondContact O-OG 2.87Å; N2486-S2489 WeakPolarHBondContact O-CB 3.41Å; N2486-S2489 PolarHBondContact O-N 3.12Å; N2486-S2489 PolarHBondContact O-OG 3.08Å; A2487-S2489 PolarHBondContact O-N 3.21Å; S2489-T2491 VanDerWaalsContact C-N 3.33Å; S2489-T2491 PolarHBondContact O-N 3.01Å; S2489-A2492 VanDerWaalsContact O-CB 3.32Å; S2489-A2492 WeakPolarHBondContact O-CB 3.41Å; S2489-A2492 PolarHBondContact O-N 3.18Å; S2489-S2493 PolarHBondContact O-N 3.05Å |
| 2490 | C | 80 | Confident | 79 | Confident | 5.5 Ų | 5.5 | 37.9 Ų | 37.9 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 172.8 | -80.5 | 0 | 0 | 0 | 0 | 111.9 | F2415 A2433 F2434 N2486 A2487 A2488 A2492 S2493 L2494 | F2415-C2490 HydrophobicContact CE2-CB 4.32Å; F2415-C2490 WeakPolarHBondContact CE2-SG 3.46Å; F2415-C2490 HydrophobicContact CZ-CB 4.21Å; F2415-C2490 VanDerWaalsContact CZ-SG 3.5Å; F2415-C2490 WeakPolarHBondContact CZ-SG 3.46Å; A2433-C2490 WeakPolarHBondContact CB-SG 3.47Å; F2434-C2490 HydrophobicContact CB-CB 3.88Å; F2434-C2490 HydrophobicContact CD2-CB 3.96Å; F2434-C2490 HydrophobicContact CG-CB 4.4Å; F2434-C2490 PolarHBondContact N-SG 2.81Å; N2486-C2490 PolarHBondContact O-N 3.24Å; N2486-C2490 PolarHBondContact O-SG 3.24Å; A2487-C2490 WeakPolarHBondContact O-CA 3.46Å; A2487-C2490 VanDerWaalsContact O-CB 3.28Å; A2487-C2490 WeakPolarHBondContact O-CB 3.41Å; A2487-C2490 PolarHBondContact O-N 3.19Å; A2488-C2490 VanDerWaalsContact C-N 3.32Å; A2488-C2490 PolarHBondContact O-N 3.17Å; C2490-A2492 VanDerWaalsContact C-N 3.31Å; C2490-A2492 PolarHBondContact O-N 3.1Å; C2490-S2493 PolarHBondContact O-N 3.06Å; C2490-S2493 VanDerWaalsContact O-N 3.13Å; C2490-L2494 HydrophobicContact CB-CD1 4.44Å; C2490-L2494 WeakPolarHBondContact O-CB 3.42Å; C2490-L2494 WeakPolarHBondContact O-CD1 3.12Å; C2490-L2494 WeakPolarHBondContact O-CG 3.36Å; C2490-L2494 PolarHBondContact O-N 3.25Å |
| 2491 | T | 77.3 | Confident | 78.1 | Confident | 0.25 Ų | 0.25 | 40.4 Ų | 40.4 | 0% | 0.002 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -43 | 174.8 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | F2434 A2487 A2488 S2489 S2493 L2494 L2495 S2502 Q2506 V2580 F2584 | F2434-T2491 WeakPolarHBondContact CE2-OG1 3.31Å; A2487-T2491 PolarHBondContact O-N 3.14Å; A2487-T2491 VanDerWaalsContact O-N 3.12Å; A2487-T2491 PolarHBondContact O-OG1 3.1Å; A2488-T2491 VanDerWaalsContact O-CB 3.28Å; A2488-T2491 WeakPolarHBondContact O-CB 3.39Å; A2488-T2491 PolarHBondContact O-N 2.95Å; A2488-T2491 VanDerWaalsContact O-N 3.11Å; A2488-T2491 PolarHBondContact O-OG1 3.25Å; S2489-T2491 VanDerWaalsContact C-N 3.33Å; S2489-T2491 PolarHBondContact O-N 3.01Å; T2491-S2493 VanDerWaalsContact C-N 3.27Å; T2491-S2493 PolarHBondContact O-N 3.12Å; T2491-L2494 PolarHBondContact O-N 3.32Å; T2491-L2495 HydrophobicContact CG2-CD1 3.75Å; T2491-L2495 HydrophobicContact CG2-CG 4.46Å; T2491-L2495 WeakPolarHBondContact O-CB 3.35Å; T2491-L2495 PolarHBondContact O-N 3.31Å; T2491-S2502 PolarHBondContact O-OG 2.87Å; T2491-Q2506 HydrophobicContact CG2-CG 4.26Å; T2491-V2580 HydrophobicContact CG2-CG1 3.7Å; T2491-V2580 WeakPolarHBondContact OG1-CG1 3.31Å; T2491-F2584 HydrophobicContact CG2-CZ 4.46Å |
| 2492 | A | 71.5 | Confident | 77.4 | Confident | 28 Ų | 28 | 40.7 Ų | 40.7 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.4 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A2488 S2489 C2490 S2496 S2502 Q2506 | A2488-A2492 PolarHBondContact O-N 3.13Å; A2488-A2492 VanDerWaalsContact O-N 3.13Å; S2489-A2492 VanDerWaalsContact O-CB 3.32Å; S2489-A2492 WeakPolarHBondContact O-CB 3.41Å; S2489-A2492 PolarHBondContact O-N 3.18Å; C2490-A2492 VanDerWaalsContact C-N 3.31Å; C2490-A2492 PolarHBondContact O-N 3.1Å; A2492-S2496 PolarHBondContact O-N 3.2Å; A2492-S2502 WeakPolarHBondContact CA-OG 3.19Å; A2492-Q2506 VanDerWaalsContact CA-NE2 3.26Å |
| 2493 | S | 70.2 | Confident | 76.9 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -78.3 | -28.7 | -176.8 | -141.7 | 0 | 0 | 0 | 0 | 114.1 | E2413 K2430 S2489 C2490 T2491 | E2413-S2493 WeakPolarHBondContact OE1-CB 3.43Å; E2413-S2493 PolarHBondContact OE1-OG 3.12Å; E2413-S2493 PolarHBondContact OE2-OG 2.74Å; K2430-S2493 VanDerWaalsContact CD-O 3.32Å; K2430-S2493 WeakPolarHBondContact CD-O 3.4Å; K2430-S2493 WeakPolarHBondContact CD-OG 3.26Å; K2430-S2493 VanDerWaalsContact CE-OG 3.26Å; K2430-S2493 WeakPolarHBondContact CE-OG 3.4Å; K2430-S2493 PolarHBondContact NZ-O 3.14Å; K2430-S2493 PolarHBondContact NZ-OG 3.07Å; S2489-S2493 PolarHBondContact O-N 3.05Å; C2490-S2493 PolarHBondContact O-N 3.06Å; C2490-S2493 VanDerWaalsContact O-N 3.13Å; T2491-S2493 VanDerWaalsContact C-N 3.27Å; T2491-S2493 PolarHBondContact O-N 3.12Å |
| 2494 | L | 67.7 | Low | 76.4 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -82.7 | -39.7 | 179.7 | -85.4 | 163.6 | 0 | 0 | 0 | 113.2 | V2427 K2430 Q2431 F2434 C2490 T2491 S2496 F2584 | V2427-L2494 HydrophobicContact CG1-CD2 4.34Å; K2430-L2494 HydrophobicContact CB-CD1 4.19Å; K2430-L2494 HydrophobicContact CB-CD2 3.68Å; K2430-L2494 HydrophobicContact CB-CG 3.92Å; K2430-L2494 WeakPolarHBondContact O-CD1 3.29Å; Q2431-L2494 HydrophobicContact CB-CD2 4.29Å; F2434-L2494 HydrophobicContact CB-CD1 3.52Å; F2434-L2494 VanDerWaalsContact CB-CD1 3.47Å; F2434-L2494 HydrophobicContact CD2-CD1 4.24Å; F2434-L2494 HydrophobicContact CG-CD1 4.02Å; C2490-L2494 HydrophobicContact CB-CD1 4.44Å; C2490-L2494 WeakPolarHBondContact O-CB 3.42Å; C2490-L2494 WeakPolarHBondContact O-CD1 3.12Å; C2490-L2494 WeakPolarHBondContact O-CG 3.36Å; C2490-L2494 PolarHBondContact O-N 3.25Å; T2491-L2494 PolarHBondContact O-N 3.32Å; L2494-S2496 VanDerWaalsContact C-N 3.26Å; L2494-S2496 PolarHBondContact O-N 3.32Å; L2494-F2584 HydrophobicContact CB-CD1 4.38Å; L2494-F2584 HydrophobicContact CB-CE1 3.71Å; L2494-F2584 HydrophobicContact CB-CZ 4.4Å; L2494-F2584 HydrophobicContact CD1-CD1 4.11Å; L2494-F2584 HydrophobicContact CD1-CE1 3.99Å; L2494-F2584 HydrophobicContact CD1-CG 4.43Å; L2494-F2584 HydrophobicContact CD1-CZ 4.25Å; L2494-F2584 HydrophobicContact CG-CE1 4.42Å |
| 2495 | L | 67.5 | Low | 76 | Confident | 8.75 Ų | 8.75 | 40 Ų | 40 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -99.1 | 24.4 | -175.7 | -66.7 | 166.8 | 0 | 0 | 0 | 112.7 | T2491 S2497 N2498 L2501 M2583 F2584 | T2491-L2495 HydrophobicContact CG2-CD1 3.75Å; T2491-L2495 HydrophobicContact CG2-CG 4.46Å; T2491-L2495 WeakPolarHBondContact O-CB 3.35Å; T2491-L2495 PolarHBondContact O-N 3.31Å; L2495-S2497 PolarHBondContact O-N 3.13Å; L2495-N2498 CarbonylContact O-C 3.57Å; L2495-N2498 PolarHBondContact O-N 3.2Å; L2495-L2501 HydrophobicContact CD1-CG 4.38Å; L2495-L2501 HydrophobicContact CD2-CD2 4.42Å; L2495-M2583 HydrophobicContact CD1-CE 3.78Å; L2495-M2583 HydrophobicContact CD2-CE 3.86Å; L2495-F2584 HydrophobicContact CD1-CD1 4.32Å; L2495-F2584 HydrophobicContact CD1-CE1 3.42Å; L2495-F2584 VanDerWaalsContact CD1-CE1 3.42Å; L2495-F2584 HydrophobicContact CD1-CZ 3.96Å; L2495-F2584 HydrophobicContact CD2-CB 4.29Å; L2495-F2584 HydrophobicContact CG-CD1 4.41Å; L2495-F2584 HydrophobicContact CG-CE1 3.85Å |
| 2496 | S | 66 | Low | 75.9 | Confident | 91.75 Ų | 91.75 | 37.3 Ų | 37.3 | 64% | 0.642 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11.7 | -179.2 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | A2492 L2494 N2498 | A2492-S2496 PolarHBondContact O-N 3.2Å; L2494-S2496 VanDerWaalsContact C-N 3.26Å; L2494-S2496 PolarHBondContact O-N 3.32Å; S2496-N2498 VanDerWaalsContact C-N 3.33Å |
| 2497 | S | 62.1 | Low | 75.9 | Confident | 91.5 Ų | 91.5 | 35.6 Ų | 35.6 | 64% | 0.64 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -20.8 | 172.3 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | L2495 | L2495-S2497 PolarHBondContact O-N 3.13Š|
| 2498 | N | 70.2 | Confident | 76 | Confident | 88.25 Ų | 88.25 | 38 Ų | 38 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | trans | -136.8 | 86.1 | -178.3 | -69.3 | -47.4 | 0 | 0 | 0 | 109.2 | L2495 S2496 D2500 L2501 S2502 | L2495-N2498 CarbonylContact O-C 3.57Å; L2495-N2498 PolarHBondContact O-N 3.2Å; S2496-N2498 VanDerWaalsContact C-N 3.33Å; N2498-D2500 VanDerWaalsContact C-N 3.32Å; N2498-D2500 PolarHBondContact O-N 3.03Å; N2498-L2501 HydrophobicContact CB-CB 3.87Å; N2498-L2501 HydrophobicContact CB-CD2 4.28Å; N2498-L2501 WeakPolarHBondContact O-CB 3.45Å; N2498-L2501 PolarHBondContact O-N 3.39Å; N2498-L2501 VanDerWaalsContact O-N 3.16Å; N2498-S2502 WeakPolarHBondContact O-CB 3.24Å; N2498-S2502 PolarHBondContact O-N 3.12Å; N2498-S2502 VanDerWaalsContact O-N 3.15Å | ||
| 2499 | P | 70 | Confident | 76.2 | Confident | 77.75 Ų | 77.75 | 38 Ų | 38 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.8 | -42.7 | -171.6 | 22 | -32.6 | 0 | 0 | 0 | 112.6 | L2501 S2502 I2503 | P2499-L2501 VanDerWaalsContact C-N 3.32Å; P2499-L2501 PolarHBondContact O-N 3.16Å; P2499-S2502 VanDerWaalsContact O-CB 3.3Å; P2499-S2502 WeakPolarHBondContact O-CB 3.45Å; P2499-S2502 PolarHBondContact O-N 3.05Å; P2499-S2502 VanDerWaalsContact O-N 3.14Å; P2499-S2502 PolarHBondContact O-OG 3.32Å; P2499-I2503 VanDerWaalsContact O-CG1 3.29Å; P2499-I2503 WeakPolarHBondContact O-CG1 3.36Å; P2499-I2503 PolarHBondContact O-N 3.15Å |
| 2500 | D | 71.9 | Confident | 76.6 | Confident | 120 Ų | 120 | 37.8 Ų | 37.8 | 64% | 0.642 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -61.5 | -42.5 | -179.7 | -56.6 | -35.8 | 0 | 0 | 0 | 112.1 | N2498 S2502 I2503 E2504 | N2498-D2500 VanDerWaalsContact C-N 3.32Å; N2498-D2500 PolarHBondContact O-N 3.03Å; D2500-S2502 VanDerWaalsContact C-N 3.31Å; D2500-S2502 PolarHBondContact O-N 3Å; D2500-I2503 PolarHBondContact O-N 3.25Å; D2500-E2504 WeakPolarHBondContact O-CB 3.36Å; D2500-E2504 PolarHBondContact O-N 3.31Å |
| 2501 | L | 73.7 | Confident | 77.1 | Confident | 51.75 Ų | 51.75 | 39.5 Ų | 39.5 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.4 | -34.1 | 178.1 | -162.7 | 69.4 | 0 | 0 | 0 | 111.6 | L2495 N2498 P2499 G2505 M2583 H2629 T2630 | L2495-L2501 HydrophobicContact CD1-CG 4.38Å; L2495-L2501 HydrophobicContact CD2-CD2 4.42Å; N2498-L2501 HydrophobicContact CB-CB 3.87Å; N2498-L2501 HydrophobicContact CB-CD2 4.28Å; N2498-L2501 WeakPolarHBondContact O-CB 3.45Å; N2498-L2501 PolarHBondContact O-N 3.39Å; N2498-L2501 VanDerWaalsContact O-N 3.16Å; P2499-L2501 VanDerWaalsContact C-N 3.32Å; P2499-L2501 PolarHBondContact O-N 3.16Å; L2501-G2505 PolarHBondContact O-N 2.99Å; L2501-G2505 VanDerWaalsContact O-N 3.13Å; L2501-M2583 HydrophobicContact CB-CE 4.36Å; L2501-M2583 HydrophobicContact CD1-CE 3.49Å; L2501-M2583 VanDerWaalsContact CD1-CE 3.49Å; L2501-M2583 HydrophobicContact CD1-SD 4.04Å; L2501-M2583 HydrophobicContact CD2-CE 3.77Å; L2501-M2583 HydrophobicContact CD2-CG 4.43Å; L2501-M2583 HydrophobicContact CD2-SD 4.26Å; L2501-M2583 HydrophobicContact CG-CE 3.49Å; L2501-M2583 HydrophobicContact CG-SD 4.34Å; L2501-M2583 WeakPolarHBondContact O-CE 3.48Å; L2501-H2629 HydrophobicContact CD1-CB 4.09Å; L2501-T2630 HydrophobicContact CB-CG2 3.88Å; L2501-T2630 HydrophobicContact CD1-CG2 3.52Å; L2501-T2630 VanDerWaalsContact CD1-CG2 3.43Å; L2501-T2630 HydrophobicContact CG-CG2 4.3Å |
| 2502 | S | 76.8 | Confident | 77.7 | Confident | 9.5 Ų | 9.5 | 40.5 Ų | 40.5 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.4 | -41.1 | 174.8 | 104.9 | 0 | 0 | 0 | 0 | 112.1 | T2491 A2492 N2498 P2499 D2500 Q2506 | T2491-S2502 PolarHBondContact O-OG 2.87Å; A2492-S2502 WeakPolarHBondContact CA-OG 3.19Å; N2498-S2502 WeakPolarHBondContact O-CB 3.24Å; N2498-S2502 PolarHBondContact O-N 3.12Å; N2498-S2502 VanDerWaalsContact O-N 3.15Å; P2499-S2502 VanDerWaalsContact O-CB 3.3Å; P2499-S2502 WeakPolarHBondContact O-CB 3.45Å; P2499-S2502 PolarHBondContact O-N 3.05Å; P2499-S2502 VanDerWaalsContact O-N 3.14Å; P2499-S2502 PolarHBondContact O-OG 3.32Å; D2500-S2502 VanDerWaalsContact C-N 3.31Å; D2500-S2502 PolarHBondContact O-N 3Å; S2502-Q2506 VanDerWaalsContact C-NE2 3.35Å; S2502-Q2506 WeakPolarHBondContact O-CB 3.37Å; S2502-Q2506 VanDerWaalsContact O-CG 3.22Å; S2502-Q2506 WeakPolarHBondContact O-CG 3.23Å; S2502-Q2506 PolarHBondContact O-N 3.12Å; S2502-Q2506 VanDerWaalsContact O-N 3.12Å; S2502-Q2506 PolarHBondContact O-NE2 2.89Å; S2502-Q2506 VanDerWaalsContact O-NE2 3.11Å; S2502-Q2506 PolarHBondContact OG-NE2 3.11Å; S2502-Q2506 VanDerWaalsContact OG-NE2 3.14Å |
| 2503 | I | 79.9 | Confident | 78.7 | Confident | 37.75 Ų | 37.75 | 39.2 Ų | 39.2 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.6 | -47.3 | 179.5 | -69.5 | 165.4 | 0 | 0 | 0 | 109.6 | A2406 P2499 D2500 G2505 Q2506 V2507 | A2406-I2503 WeakPolarHBondContact O-CG2 3.45Å; P2499-I2503 VanDerWaalsContact O-CG1 3.29Å; P2499-I2503 WeakPolarHBondContact O-CG1 3.36Å; P2499-I2503 PolarHBondContact O-N 3.15Å; D2500-I2503 PolarHBondContact O-N 3.25Å; I2503-G2505 PolarHBondContact O-N 2.92Å; I2503-Q2506 WeakPolarHBondContact O-CB 3.41Å; I2503-Q2506 PolarHBondContact O-N 3.14Å; I2503-V2507 HydrophobicContact CG2-CG2 4.28Å; I2503-V2507 WeakPolarHBondContact O-CB 3.31Å; I2503-V2507 VanDerWaalsContact O-CG2 3.25Å; I2503-V2507 WeakPolarHBondContact O-CG2 3.32Å; I2503-V2507 PolarHBondContact O-N 2.93Å |
| 2504 | E | 80.2 | Confident | 79.8 | Confident | 73.25 Ų | 73.25 | 41 Ų | 41 | 34% | 0.342 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 179.2 | -170.4 | 60.2 | -155.6 | 0 | 0 | 111.4 | D2500 Q2506 V2507 Q2508 N2633 V2634 | D2500-E2504 WeakPolarHBondContact O-CB 3.36Å; D2500-E2504 PolarHBondContact O-N 3.31Å; E2504-Q2506 VanDerWaalsContact C-N 3.34Å; E2504-Q2506 PolarHBondContact O-N 3.05Å; E2504-V2507 PolarHBondContact O-N 2.95Å; E2504-Q2508 VanDerWaalsContact O-CB 3.27Å; E2504-Q2508 WeakPolarHBondContact O-CB 3.41Å; E2504-Q2508 PolarHBondContact O-N 3.2Å; E2504-N2633 HydrophobicContact CG-CB 4.08Å; E2504-V2634 HydrophobicContact CG-CG2 4.18Å |
| 2505 | G | 82.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L2501 I2503 L2509 | L2501-G2505 PolarHBondContact O-N 2.99Å; L2501-G2505 VanDerWaalsContact O-N 3.13Å; I2503-G2505 PolarHBondContact O-N 2.92Å; G2505-L2509 WeakPolarHBondContact O-CB 3.28Å; G2505-L2509 PolarHBondContact O-N 3.08Å; G2505-L2509 VanDerWaalsContact O-N 3.12Å |
| 2506 | Q | 86.2 | Confident | 82.2 | Confident | 5.5 Ų | 5.5 | 41.4 Ų | 41.4 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -48.8 | 173.9 | -76 | 167.7 | 58.9 | 0 | 0 | 111.9 | A2406 L2411 A2488 T2491 A2492 S2502 I2503 E2504 Q2508 L2509 L2510 | A2406-Q2506 HydrophobicContact CB-CB 3.83Å; L2411-Q2506 HydrophobicContact CD2-CG 4.39Å; L2411-Q2506 VanDerWaalsContact CD2-OE1 3.31Å; A2488-Q2506 HydrophobicContact CB-CB 4.41Å; A2488-Q2506 HydrophobicContact CB-CG 4.24Å; A2488-Q2506 VanDerWaalsContact O-CG 3.26Å; A2488-Q2506 WeakPolarHBondContact O-CG 3.38Å; T2491-Q2506 HydrophobicContact CG2-CG 4.26Å; A2492-Q2506 VanDerWaalsContact CA-NE2 3.26Å; S2502-Q2506 VanDerWaalsContact C-NE2 3.35Å; S2502-Q2506 WeakPolarHBondContact O-CB 3.37Å; S2502-Q2506 VanDerWaalsContact O-CG 3.22Å; S2502-Q2506 WeakPolarHBondContact O-CG 3.23Å; S2502-Q2506 PolarHBondContact O-N 3.12Å; S2502-Q2506 VanDerWaalsContact O-N 3.12Å; S2502-Q2506 PolarHBondContact O-NE2 2.89Å; S2502-Q2506 VanDerWaalsContact O-NE2 3.11Å; S2502-Q2506 PolarHBondContact OG-NE2 3.11Å; S2502-Q2506 VanDerWaalsContact OG-NE2 3.14Å; I2503-Q2506 WeakPolarHBondContact O-CB 3.41Å; I2503-Q2506 PolarHBondContact O-N 3.14Å; E2504-Q2506 VanDerWaalsContact C-N 3.34Å; E2504-Q2506 PolarHBondContact O-N 3.05Å; Q2506-Q2508 VanDerWaalsContact C-N 3.34Å; Q2506-L2509 PolarHBondContact O-N 3.08Å; Q2506-L2510 WeakPolarHBondContact O-CB 3.45Å; Q2506-L2510 VanDerWaalsContact O-CG 3.29Å; Q2506-L2510 WeakPolarHBondContact O-CG 3.37Å; Q2506-L2510 PolarHBondContact O-N 3.11Å |
| 2507 | V | 87 | Confident | 83.5 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -43.4 | -178.2 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | A2406 R2407 I2503 E2504 L2509 L2510 T2511 | A2406-V2507 HydrophobicContact CB-CG2 3.88Å; R2407-V2507 HydrophobicContact CB-CG2 4.35Å; R2407-V2507 HydrophobicContact CG-CG1 4.4Å; R2407-V2507 HydrophobicContact CG-CG2 3.61Å; R2407-V2507 VanDerWaalsContact CZ-CG1 3.47Å; R2407-V2507 VanDerWaalsContact NH2-CG1 3.26Å; I2503-V2507 HydrophobicContact CG2-CG2 4.28Å; I2503-V2507 WeakPolarHBondContact O-CB 3.31Å; I2503-V2507 VanDerWaalsContact O-CG2 3.25Å; I2503-V2507 WeakPolarHBondContact O-CG2 3.32Å; I2503-V2507 PolarHBondContact O-N 2.93Å; E2504-V2507 PolarHBondContact O-N 2.95Å; V2507-L2509 VanDerWaalsContact C-N 3.32Å; V2507-L2509 PolarHBondContact O-N 3.35Å; V2507-L2510 PolarHBondContact O-N 3.13Å; V2507-T2511 VanDerWaalsContact O-CB 3.25Å; V2507-T2511 WeakPolarHBondContact O-CB 3.31Å; V2507-T2511 PolarHBondContact O-N 3.34Å; V2507-T2511 PolarHBondContact O-OG1 3.04Å; V2507-T2511 VanDerWaalsContact O-OG1 3.08Å |
| 2508 | Q | 87.9 | Confident | 84.8 | Confident | 50 Ų | 50 | 33.7 Ų | 33.7 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 176.9 | -170.7 | -176.2 | 10.7 | 0 | 0 | 111.6 | E2504 Q2506 S2512 A2576 N2633 | E2504-Q2508 VanDerWaalsContact O-CB 3.27Å; E2504-Q2508 WeakPolarHBondContact O-CB 3.41Å; E2504-Q2508 PolarHBondContact O-N 3.2Å; Q2506-Q2508 VanDerWaalsContact C-N 3.34Å; Q2508-S2512 VanDerWaalsContact O-CB 3.29Å; Q2508-S2512 WeakPolarHBondContact O-CB 3.39Å; Q2508-S2512 PolarHBondContact O-N 2.92Å; Q2508-S2512 PolarHBondContact O-OG 3.27Å; Q2508-A2576 HydrophobicContact CG-CB 3.93Å; Q2508-N2633 PolarHBondContact OE1-ND2 3.47Å; Q2508-N2633 PolarHBondContact OE1-OD1 2.93Å |
| 2509 | L | 89.9 | Confident | 85.8 | Confident | 0.25 Ų | 0.25 | 29.5 Ų | 29.5 | 0% | 0.001 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.2 | -46 | 179.1 | -169.9 | 74.6 | 0 | 0 | 0 | 112.2 | A2484 A2487 A2488 G2505 Q2506 V2507 S2512 T2513 L2573 L2577 | A2484-L2509 WeakPolarHBondContact O-CD2 3.48Å; A2487-L2509 HydrophobicContact CB-CD2 3.59Å; A2488-L2509 HydrophobicContact CB-CD2 4.23Å; G2505-L2509 WeakPolarHBondContact O-CB 3.28Å; G2505-L2509 PolarHBondContact O-N 3.08Å; G2505-L2509 VanDerWaalsContact O-N 3.12Å; Q2506-L2509 PolarHBondContact O-N 3.08Å; V2507-L2509 VanDerWaalsContact C-N 3.32Å; V2507-L2509 PolarHBondContact O-N 3.35Å; L2509-S2512 PolarHBondContact O-N 3.15Å; L2509-T2513 WeakPolarHBondContact O-CB 3.36Å; L2509-T2513 PolarHBondContact O-N 3.19Å; L2509-T2513 PolarHBondContact O-OG1 3.13Å; L2509-L2573 HydrophobicContact CD1-CD1 3.84Å; L2509-L2573 HydrophobicContact CG-CD1 4.36Å; L2509-L2577 HydrophobicContact CD1-CB 4.34Å; L2509-L2577 HydrophobicContact CD1-CD1 3.86Å; L2509-L2577 HydrophobicContact CD1-CD2 3.52Å; L2509-L2577 HydrophobicContact CD1-CG 3.7Å; L2509-L2577 HydrophobicContact CD2-CD2 4.45Å |
| 2510 | L | 91.1 | Very high | 86.9 | Confident | 0.75 Ų | 0.75 | 25.8 Ų | 25.8 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.4 | -41.4 | 179.5 | -68.2 | 169.8 | 0 | 0 | 0 | 111.8 | L2399 A2402 A2403 A2406 L2411 K2485 A2488 Q2506 V2507 T2513 R2514 | L2399-L2510 HydrophobicContact CD2-CD2 3.82Å; A2402-L2510 HydrophobicContact CB-CD1 4.03Å; A2402-L2510 HydrophobicContact CB-CD2 4.22Å; A2403-L2510 HydrophobicContact CB-CB 4.27Å; A2403-L2510 HydrophobicContact CB-CD1 4.43Å; A2406-L2510 HydrophobicContact CB-CD1 4Å; L2411-L2510 HydrophobicContact CD1-CD1 4.37Å; L2411-L2510 HydrophobicContact CD2-CD1 4.27Å; K2485-L2510 HydrophobicContact CG-CD2 4.1Å; A2488-L2510 HydrophobicContact CB-CD1 4.23Å; A2488-L2510 HydrophobicContact CB-CD2 4.18Å; A2488-L2510 HydrophobicContact CB-CG 4.06Å; Q2506-L2510 WeakPolarHBondContact O-CB 3.45Å; Q2506-L2510 VanDerWaalsContact O-CG 3.29Å; Q2506-L2510 WeakPolarHBondContact O-CG 3.37Å; Q2506-L2510 PolarHBondContact O-N 3.11Å; V2507-L2510 PolarHBondContact O-N 3.13Å; L2510-T2513 WeakPolarHBondContact O-CB 3.45Å; L2510-T2513 PolarHBondContact O-N 2.94Å; L2510-R2514 VanDerWaalsContact O-CB 3.31Å; L2510-R2514 WeakPolarHBondContact O-CB 3.41Å; L2510-R2514 PolarHBondContact O-N 3.24Å |
| 2511 | T | 89 | Confident | 87.8 | Confident | 40 Ų | 40 | 20.7 Ų | 20.7 | 25% | 0.245 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | V2507 T2513 R2514 D2515 | V2507-T2511 VanDerWaalsContact O-CB 3.25Å; V2507-T2511 WeakPolarHBondContact O-CB 3.31Å; V2507-T2511 PolarHBondContact O-N 3.34Å; V2507-T2511 PolarHBondContact O-OG1 3.04Å; V2507-T2511 VanDerWaalsContact O-OG1 3.08Å; T2511-T2513 VanDerWaalsContact C-N 3.28Å; T2511-T2513 PolarHBondContact O-N 2.95Å; T2511-R2514 WeakPolarHBondContact O-CB 3.31Å; T2511-R2514 PolarHBondContact O-N 3.22Å; T2511-R2514 VanDerWaalsContact O-N 3.12Å; T2511-D2515 PolarHBondContact O-N 3.11Å |
| 2512 | S | 90.7 | Very high | 88.5 | Confident | 22 Ų | 22 | 22 Ų | 22 | 15% | 0.154 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 176 | -59 | 0 | 0 | 0 | 0 | 111.8 | Q2508 L2509 D2515 V2516 | Q2508-S2512 VanDerWaalsContact O-CB 3.29Å; Q2508-S2512 WeakPolarHBondContact O-CB 3.39Å; Q2508-S2512 PolarHBondContact O-N 2.92Å; Q2508-S2512 PolarHBondContact O-OG 3.27Å; L2509-S2512 PolarHBondContact O-N 3.15Å; S2512-D2515 PolarHBondContact O-N 3.16Å; S2512-V2516 WeakPolarHBondContact O-CG2 3.42Å; S2512-V2516 PolarHBondContact O-N 3.21Å |
| 2513 | T | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 175.2 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | L2399 L2480 A2484 L2509 L2510 T2511 D2515 V2516 I2517 L2573 | L2399-T2513 HydrophobicContact CD1-CG2 3.81Å; L2399-T2513 HydrophobicContact CD2-CG2 4.32Å; L2480-T2513 HydrophobicContact CD2-CG2 4.02Å; L2480-T2513 HydrophobicContact CG-CG2 3.93Å; A2484-T2513 HydrophobicContact CB-CG2 3.76Å; A2484-T2513 VanDerWaalsContact CB-OG1 3.28Å; A2484-T2513 WeakPolarHBondContact CB-OG1 3.45Å; L2509-T2513 WeakPolarHBondContact O-CB 3.36Å; L2509-T2513 PolarHBondContact O-N 3.19Å; L2509-T2513 PolarHBondContact O-OG1 3.13Å; L2510-T2513 WeakPolarHBondContact O-CB 3.45Å; L2510-T2513 PolarHBondContact O-N 2.94Å; T2511-T2513 VanDerWaalsContact C-N 3.28Å; T2511-T2513 PolarHBondContact O-N 2.95Å; T2513-D2515 VanDerWaalsContact C-N 3.27Å; T2513-D2515 PolarHBondContact O-N 3.11Å; T2513-V2516 WeakPolarHBondContact O-CB 3.48Å; T2513-V2516 PolarHBondContact O-N 3.09Å; T2513-I2517 HydrophobicContact CG2-CD1 4.49Å; T2513-I2517 WeakPolarHBondContact O-CG1 3.43Å; T2513-I2517 PolarHBondContact O-N 3.09Å; T2513-I2517 VanDerWaalsContact O-N 3.1Å; T2513-L2573 WeakPolarHBondContact OG1-CD1 3.39Å |
| 2514 | R | 92.5 | Very high | 89.7 | Confident | 56.75 Ų | 56.75 | 19.8 Ų | 19.8 | 21% | 0.214 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -37.7 | 176.7 | 175.4 | -90.6 | -178.7 | -158.6 | -2.3 | 111.5 | V2396 L2399 D2400 L2510 T2511 I2517 S2518 E2726 | V2396-R2514 HydrophobicContact CG1-CG 4.02Å; L2399-R2514 HydrophobicContact CB-CB 4.09Å; L2399-R2514 HydrophobicContact CB-CG 4.41Å; L2399-R2514 HydrophobicContact CD1-CB 4.05Å; D2400-R2514 WeakPolarHBondContact OD1-CG 3.43Å; D2400-R2514 IonicContact OD1-NE 3.08Å; D2400-R2514 PolarHBondContact OD1-NE 3.41Å; D2400-R2514 VanDerWaalsContact OD1-NE 3.11Å; D2400-R2514 IonicContact OD2-NE 2.67Å; L2510-R2514 VanDerWaalsContact O-CB 3.31Å; L2510-R2514 WeakPolarHBondContact O-CB 3.41Å; L2510-R2514 PolarHBondContact O-N 3.24Å; T2511-R2514 WeakPolarHBondContact O-CB 3.31Å; T2511-R2514 PolarHBondContact O-N 3.22Å; T2511-R2514 VanDerWaalsContact O-N 3.12Å; R2514-I2517 PolarHBondContact O-N 3.17Å; R2514-S2518 PolarHBondContact NE-OG 2.97Å; R2514-S2518 VanDerWaalsContact O-CB 3.3Å; R2514-S2518 WeakPolarHBondContact O-CB 3.44Å; R2514-S2518 PolarHBondContact O-N 3.17Å; R2514-S2518 PolarHBondContact O-OG 3.49Å; R2514-E2726 IonicContact CZ-OE2 3.11Å; R2514-E2726 IonicContact NH1-OE1 2.65Å; R2514-E2726 IonicContact NH1-OE2 2.67Å; R2514-E2726 IonicContact NH2-OE2 3.6Å; R2514-E2726 PolarHBondContact NH2-OE2 3.46Å |
| 2515 | D | 91.5 | Very high | 89.9 | Confident | 43.75 Ų | 43.75 | 18.1 Ų | 18.1 | 23% | 0.234 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.5 | -32.9 | 178.6 | -68.3 | -23.8 | 0 | 0 | 0 | 112.9 | T2511 S2512 T2513 G2519 T2569 | T2511-D2515 PolarHBondContact O-N 3.11Å; S2512-D2515 PolarHBondContact O-N 3.16Å; T2513-D2515 VanDerWaalsContact C-N 3.27Å; T2513-D2515 PolarHBondContact O-N 3.11Å; D2515-G2519 PolarHBondContact O-N 3.29Å; D2515-T2569 HydrophobicContact CB-CG2 4.28Å |
| 2516 | V | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 169.2 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | I2448 L2480 S2512 T2513 G2519 L2520 V2566 I2570 L2573 | I2448-V2516 HydrophobicContact CD1-CG1 4.45Å; L2480-V2516 HydrophobicContact CD2-CB 4.33Å; L2480-V2516 HydrophobicContact CD2-CG1 3.87Å; S2512-V2516 WeakPolarHBondContact O-CG2 3.42Å; S2512-V2516 PolarHBondContact O-N 3.21Å; T2513-V2516 WeakPolarHBondContact O-CB 3.48Å; T2513-V2516 PolarHBondContact O-N 3.09Å; V2516-G2519 WeakPolarHBondContact O-CA 3.34Å; V2516-G2519 PolarHBondContact O-N 3.33Å; V2516-G2519 VanDerWaalsContact O-N 3.12Å; V2516-L2520 PolarHBondContact O-N 3.02Å; V2516-V2566 HydrophobicContact CG1-CG1 4.37Å; V2516-I2570 HydrophobicContact CB-CG1 4.48Å; V2516-I2570 HydrophobicContact CG1-CD1 4.41Å; V2516-I2570 HydrophobicContact CG1-CG1 3.82Å; V2516-I2570 HydrophobicContact CG2-CG1 3.85Å; V2516-L2573 HydrophobicContact CG2-CB 4.34Å; V2516-L2573 HydrophobicContact CG2-CD2 4.26Å |
| 2517 | I | 93.5 | Very high | 90 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.6 | -41.3 | -179.8 | -61.8 | -175.6 | 0 | 0 | 0 | 111.4 | L2392 L2395 V2396 L2399 A2477 T2481 T2513 R2514 G2519 L2520 V2521 | L2392-I2517 HydrophobicContact CB-CG2 4.12Å; L2392-I2517 HydrophobicContact CD2-CG2 4.05Å; L2395-I2517 HydrophobicContact CB-CD1 4.07Å; L2395-I2517 HydrophobicContact CB-CG2 4.41Å; L2395-I2517 HydrophobicContact CD1-CD1 4.39Å; V2396-I2517 HydrophobicContact CG2-CB 4.17Å; V2396-I2517 HydrophobicContact CG2-CG2 3.64Å; L2399-I2517 HydrophobicContact CD1-CD1 3.59Å; L2399-I2517 HydrophobicContact CD1-CG1 4.43Å; A2477-I2517 HydrophobicContact CB-CD1 4.34Å; A2477-I2517 HydrophobicContact CB-CG1 4.44Å; T2481-I2517 WeakPolarHBondContact OG1-CD1 3.35Å; T2513-I2517 HydrophobicContact CG2-CD1 4.49Å; T2513-I2517 WeakPolarHBondContact O-CG1 3.43Å; T2513-I2517 PolarHBondContact O-N 3.09Å; T2513-I2517 VanDerWaalsContact O-N 3.1Å; R2514-I2517 PolarHBondContact O-N 3.17Å; I2517-G2519 VanDerWaalsContact C-N 3.25Å; I2517-G2519 PolarHBondContact O-N 3.34Å; I2517-L2520 WeakPolarHBondContact O-CB 3.47Å; I2517-L2520 PolarHBondContact O-N 3.01Å; I2517-L2520 VanDerWaalsContact O-N 3.1Å; I2517-V2521 WeakPolarHBondContact O-CG2 3.38Å; I2517-V2521 PolarHBondContact O-N 3.31Å |
| 2518 | S | 90.3 | Very high | 89.7 | Confident | 21.25 Ų | 21.25 | 20.3 Ų | 20.3 | 15% | 0.149 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -34.7 | 172.7 | -160.9 | 0 | 0 | 0 | 0 | 111.8 | R2514 V2521 R2522 | R2514-S2518 PolarHBondContact NE-OG 2.97Å; R2514-S2518 VanDerWaalsContact O-CB 3.3Å; R2514-S2518 WeakPolarHBondContact O-CB 3.44Å; R2514-S2518 PolarHBondContact O-N 3.17Å; R2514-S2518 PolarHBondContact O-OG 3.49Å; S2518-V2521 PolarHBondContact O-N 2.98Å; S2518-R2522 PolarHBondContact O-N 3.23Å; S2518-R2522 VanDerWaalsContact O-N 3.13Å; S2518-R2522 PolarHBondContact O-NE 3.19Å; S2518-R2522 PolarHBondContact OG-NH2 3.08Å |
| 2519 | G | 91 | Very high | 89.2 | Confident | 0.25 Ų | 0.25 | 19.1 Ų | 19.1 | 0% | 0.003 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D2515 V2516 I2517 V2521 R2522 L2523 V2566 | D2515-G2519 PolarHBondContact O-N 3.29Å; V2516-G2519 WeakPolarHBondContact O-CA 3.34Å; V2516-G2519 PolarHBondContact O-N 3.33Å; V2516-G2519 VanDerWaalsContact O-N 3.12Å; I2517-G2519 VanDerWaalsContact C-N 3.25Å; I2517-G2519 PolarHBondContact O-N 3.34Å; G2519-V2521 VanDerWaalsContact C-N 3.34Å; G2519-V2521 PolarHBondContact O-N 2.94Å; G2519-R2522 PolarHBondContact O-N 3.04Å; G2519-L2523 PolarHBondContact O-N 3.16Å; G2519-V2566 VanDerWaalsContact C-CG2 3.45Å; G2519-V2566 WeakPolarHBondContact O-CG2 3.4Å |
| 2520 | L | 92.7 | Very high | 88.8 | Confident | 0.25 Ų | 0.25 | 19.1 Ų | 19.1 | 0% | 0.001 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.7 | -36.3 | 176.5 | -69.4 | 173.5 | 0 | 0 | 0 | 113.1 | L2392 I2448 M2452 A2477 V2516 I2517 R2522 L2523 L2524 V2566 | L2392-L2520 HydrophobicContact CD1-CB 4.16Å; I2448-L2520 HydrophobicContact CD1-CD1 4.24Å; I2448-L2520 HydrophobicContact CG1-CD1 4.4Å; I2448-L2520 HydrophobicContact CG2-CD1 3.9Å; I2448-L2520 HydrophobicContact CG2-CD2 3.8Å; I2448-L2520 HydrophobicContact CG2-CG 4.28Å; M2452-L2520 HydrophobicContact CE-CD2 4.47Å; M2452-L2520 HydrophobicContact CG-CD2 4.35Å; M2452-L2520 HydrophobicContact SD-CD2 4.23Å; A2477-L2520 HydrophobicContact CB-CD1 4.11Å; V2516-L2520 PolarHBondContact O-N 3.02Å; I2517-L2520 WeakPolarHBondContact O-CB 3.47Å; I2517-L2520 PolarHBondContact O-N 3.01Å; I2517-L2520 VanDerWaalsContact O-N 3.1Å; L2520-R2522 VanDerWaalsContact C-N 3.34Å; L2520-L2523 HydrophobicContact CD2-CD2 4.35Å; L2520-L2523 PolarHBondContact O-N 3.17Å; L2520-L2524 WeakPolarHBondContact O-CB 3.45Å; L2520-L2524 WeakPolarHBondContact O-CG 3.39Å; L2520-L2524 PolarHBondContact O-N 3.21Å; L2520-V2566 HydrophobicContact CD2-CG1 4.19Å; L2520-V2566 HydrophobicContact CG-CG1 4.44Å |
| 2521 | V | 91.3 | Very high | 88.2 | Confident | 13.25 Ų | 13.25 | 19 Ų | 19 | 8% | 0.08 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.9 | -48.6 | 171.9 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | I2389 L2392 N2393 I2517 S2518 G2519 L2523 L2524 N2525 | I2389-V2521 HydrophobicContact CG2-CG1 4.05Å; L2392-V2521 HydrophobicContact CB-CG2 3.5Å; L2392-V2521 VanDerWaalsContact CB-CG2 3.48Å; L2392-V2521 HydrophobicContact CD1-CG2 4.06Å; L2392-V2521 HydrophobicContact CG-CG2 4.44Å; N2393-V2521 WeakPolarHBondContact OD1-CG2 3.42Å; I2517-V2521 WeakPolarHBondContact O-CG2 3.38Å; I2517-V2521 PolarHBondContact O-N 3.31Å; S2518-V2521 PolarHBondContact O-N 2.98Å; G2519-V2521 VanDerWaalsContact C-N 3.34Å; G2519-V2521 PolarHBondContact O-N 2.94Å; V2521-L2523 VanDerWaalsContact C-N 3.34Å; V2521-L2523 PolarHBondContact O-N 3.13Å; V2521-L2524 PolarHBondContact O-N 3.18Å; V2521-N2525 PolarHBondContact O-N 3.23Å |
| 2522 | R | 89.1 | Confident | 87.3 | Confident | 79.25 Ų | 79.25 | 17.6 Ų | 17.6 | 30% | 0.299 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -61 | -41.3 | 176 | -76.2 | 179.7 | -100.6 | 119.2 | -2.5 | 112 | S2518 G2519 L2520 L2524 N2525 H2526 T2562 | S2518-R2522 PolarHBondContact O-N 3.23Å; S2518-R2522 VanDerWaalsContact O-N 3.13Å; S2518-R2522 PolarHBondContact O-NE 3.19Å; S2518-R2522 PolarHBondContact OG-NH2 3.08Å; G2519-R2522 PolarHBondContact O-N 3.04Å; L2520-R2522 VanDerWaalsContact C-N 3.34Å; R2522-L2524 VanDerWaalsContact C-N 3.35Å; R2522-L2524 PolarHBondContact O-N 3.38Å; R2522-N2525 WeakPolarHBondContact O-CB 3.27Å; R2522-N2525 PolarHBondContact O-N 3.25Å; R2522-H2526 PolarHBondContact O-N 3.13Å; R2522-H2526 VanDerWaalsContact O-N 3.14Å; R2522-H2526 PolarHBondContact O-ND1 3.13Å; R2522-T2562 HydrophobicContact CB-CG2 3.9Å |
| 2523 | L | 90.8 | Very high | 86.4 | Confident | 0.75 Ų | 0.75 | 17.1 Ų | 17.1 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 177.6 | -171 | 84.5 | 0 | 0 | 0 | 111.9 | M2452 L2455 G2519 L2520 V2521 N2525 H2526 G2527 L2559 T2562 A2563 | M2452-L2523 HydrophobicContact CB-CD2 4.26Å; M2452-L2523 HydrophobicContact CE-CD1 4.43Å; M2452-L2523 HydrophobicContact CG-CD1 4.27Å; M2452-L2523 HydrophobicContact CG-CD2 3.6Å; M2452-L2523 HydrophobicContact CG-CG 4.36Å; M2452-L2523 HydrophobicContact SD-CD1 4.41Å; M2452-L2523 HydrophobicContact SD-CD2 4.07Å; L2455-L2523 HydrophobicContact CD1-CD2 4.24Å; L2455-L2523 HydrophobicContact CD2-CD2 4.11Å; L2455-L2523 HydrophobicContact CD2-CG 4.21Å; G2519-L2523 PolarHBondContact O-N 3.16Å; L2520-L2523 HydrophobicContact CD2-CD2 4.35Å; L2520-L2523 PolarHBondContact O-N 3.17Å; V2521-L2523 VanDerWaalsContact C-N 3.34Å; V2521-L2523 PolarHBondContact O-N 3.13Å; L2523-N2525 VanDerWaalsContact C-N 3.34Å; L2523-N2525 PolarHBondContact O-N 3.12Å; L2523-H2526 PolarHBondContact O-N 3.13Å; L2523-G2527 PolarHBondContact O-N 2.94Å; L2523-L2559 HydrophobicContact CD1-CD1 3.66Å; L2523-L2559 HydrophobicContact CD1-CG 4.25Å; L2523-L2559 HydrophobicContact CG-CD1 3.94Å; L2523-L2559 VanDerWaalsContact O-CD1 3.24Å; L2523-L2559 WeakPolarHBondContact O-CD1 3.37Å; L2523-T2562 HydrophobicContact CB-CG2 4.24Å; L2523-T2562 HydrophobicContact CD1-CG2 4.27Å; L2523-A2563 HydrophobicContact CD1-CB 3.89Å |
| 2524 | L | 90.1 | Very high | 85.6 | Confident | 0.5 Ų | 0.5 | 17.5 Ų | 17.5 | 0% | 0.003 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69 | -31.1 | 178.6 | -74.9 | 165.3 | 0 | 0 | 0 | 113 | C2385 A2388 I2389 L2392 L2455 A2470 L2520 V2521 R2522 H2526 G2527 K2528 | C2385-L2524 HydrophobicContact CB-CD2 4.34Å; A2388-L2524 HydrophobicContact CB-CD1 3.84Å; I2389-L2524 HydrophobicContact CD1-CB 3.89Å; I2389-L2524 HydrophobicContact CG1-CB 3.61Å; I2389-L2524 HydrophobicContact CG1-CD1 4.33Å; L2392-L2524 HydrophobicContact CD1-CD1 3.42Å; L2392-L2524 VanDerWaalsContact CD1-CD1 3.42Å; L2455-L2524 HydrophobicContact CD1-CD2 3.61Å; L2455-L2524 HydrophobicContact CD1-CG 4.36Å; A2470-L2524 HydrophobicContact CB-CD2 3.6Å; L2520-L2524 WeakPolarHBondContact O-CB 3.45Å; L2520-L2524 WeakPolarHBondContact O-CG 3.39Å; L2520-L2524 PolarHBondContact O-N 3.21Å; V2521-L2524 PolarHBondContact O-N 3.18Å; R2522-L2524 VanDerWaalsContact C-N 3.35Å; R2522-L2524 PolarHBondContact O-N 3.38Å; L2524-H2526 VanDerWaalsContact C-N 3.35Å; L2524-G2527 PolarHBondContact O-N 3.14Å; L2524-K2528 WeakPolarHBondContact O-CB 3.43Å; L2524-K2528 PolarHBondContact O-N 2.96Å |
| 2525 | N | 85 | Confident | 84.6 | Confident | 36 Ų | 36 | 16.1 Ų | 16.1 | 19% | 0.193 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | 171.1 | -85.7 | -15.2 | 0 | 0 | 0 | 110.9 | I2389 V2521 R2522 L2523 G2527 K2528 S2529 I2671 | I2389-N2525 WeakPolarHBondContact CD1-OD1 3.36Å; V2521-N2525 PolarHBondContact O-N 3.23Å; R2522-N2525 WeakPolarHBondContact O-CB 3.27Å; R2522-N2525 PolarHBondContact O-N 3.25Å; L2523-N2525 VanDerWaalsContact C-N 3.34Å; L2523-N2525 PolarHBondContact O-N 3.12Å; N2525-G2527 VanDerWaalsContact C-N 3.32Å; N2525-G2527 PolarHBondContact O-N 3.04Å; N2525-K2528 WeakPolarHBondContact O-CB 3.35Å; N2525-K2528 PolarHBondContact O-N 3.3Å; N2525-S2529 PolarHBondContact O-N 3.17Å; N2525-S2529 PolarHBondContact O-OG 3.36Å; N2525-S2529 VanDerWaalsContact O-OG 3.06Å; N2525-I2671 HydrophobicContact CB-CD1 3.93Å; N2525-I2671 WeakPolarHBondContact OD1-CD1 3.45Å |
| 2526 | H | 84.2 | Confident | 83.5 | Confident | 22.25 Ų | 22.25 | 14.1 Ų | 14.1 | 10% | 0.103 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 174.4 | -70.4 | 90 | 0 | 0 | 0 | 112 | R2522 L2523 L2524 K2528 S2529 I2530 A2558 L2559 T2562 D2668 | R2522-H2526 PolarHBondContact O-N 3.13Å; R2522-H2526 VanDerWaalsContact O-N 3.14Å; R2522-H2526 PolarHBondContact O-ND1 3.13Å; L2523-H2526 PolarHBondContact O-N 3.13Å; L2524-H2526 VanDerWaalsContact C-N 3.35Å; H2526-K2528 PolarHBondContact O-N 3.33Å; H2526-S2529 PolarHBondContact O-N 3.01Å; H2526-I2530 WeakPolarHBondContact O-CD1 3.42Å; H2526-I2530 VanDerWaalsContact O-CG1 3.31Å; H2526-I2530 WeakPolarHBondContact O-CG1 3.24Å; H2526-I2530 PolarHBondContact O-N 3.15Å; H2526-A2558 VanDerWaalsContact CD2-CB 3.48Å; H2526-A2558 WeakPolarHBondContact CD2-CB 3.42Å; H2526-A2558 WeakPolarHBondContact NE2-CB 3.36Å; H2526-L2559 HydrophobicContact CB-CB 4.02Å; H2526-L2559 HydrophobicContact CB-CD1 3.59Å; H2526-L2559 HydrophobicContact CB-CG 4.43Å; H2526-T2562 PolarHBondContact CE1-OG1 3.1Å; H2526-T2562 VanDerWaalsContact CE1-OG1 3.29Å; H2526-T2562 PolarHBondContact ND1-OG1 3.06Å; H2526-D2668 IonicContact CD2-OD2 2.99Å; H2526-D2668 PolarHBondContact CD2-OD2 3.4Å; H2526-D2668 IonicContact NE2-OD2 3.45Å; H2526-D2668 PolarHBondContact NE2-OD2 3.14Å |
| 2527 | G | 85 | Confident | 82.3 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2523 L2524 N2525 I2530 S2531 | L2523-G2527 PolarHBondContact O-N 2.94Å; L2524-G2527 PolarHBondContact O-N 3.14Å; N2525-G2527 VanDerWaalsContact C-N 3.32Å; N2525-G2527 PolarHBondContact O-N 3.04Å; G2527-I2530 PolarHBondContact O-N 2.91Å; G2527-S2531 VanDerWaalsContact O-CB 3.29Å; G2527-S2531 WeakPolarHBondContact O-CB 3.35Å; G2527-S2531 PolarHBondContact O-N 3.37Å |
| 2528 | K | 81.8 | Confident | 81.2 | Confident | 38.75 Ų | 38.75 | 22.1 Ų | 22.1 | 17% | 0.168 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 172.6 | 178.4 | -167.3 | 173.2 | -175.5 | 0 | 111.3 | A2382 C2385 T2386 L2524 N2525 H2526 S2531 A2532 I2671 | A2382-K2528 HydrophobicContact CB-CG 4.05Å; C2385-K2528 HydrophobicContact CB-CB 4.02Å; T2386-K2528 WeakPolarHBondContact OG1-CD 3.4Å; T2386-K2528 VanDerWaalsContact OG1-CE 3.3Å; T2386-K2528 WeakPolarHBondContact OG1-CE 3.28Å; T2386-K2528 PolarHBondContact OG1-NZ 2.96Å; L2524-K2528 WeakPolarHBondContact O-CB 3.43Å; L2524-K2528 PolarHBondContact O-N 2.96Å; N2525-K2528 WeakPolarHBondContact O-CB 3.35Å; N2525-K2528 PolarHBondContact O-N 3.3Å; H2526-K2528 PolarHBondContact O-N 3.33Å; K2528-S2531 WeakPolarHBondContact O-CB 3.28Å; K2528-S2531 PolarHBondContact O-N 3.16Å; K2528-A2532 WeakPolarHBondContact O-CB 3.41Å; K2528-A2532 PolarHBondContact O-N 3.07Å; K2528-A2532 VanDerWaalsContact O-N 3.11Å; K2528-I2671 HydrophobicContact CD-CD1 4.29Å |
| 2529 | S | 77.1 | Confident | 80 | Confident | 25 Ų | 25 | 23.5 Ų | 23.5 | 18% | 0.175 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | -179.5 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | N2525 H2526 A2532 V2533 D2669 | N2525-S2529 PolarHBondContact O-N 3.17Å; N2525-S2529 PolarHBondContact O-OG 3.36Å; N2525-S2529 VanDerWaalsContact O-OG 3.06Å; H2526-S2529 PolarHBondContact O-N 3.01Å; S2529-A2532 PolarHBondContact O-N 3.05Å; S2529-V2533 WeakPolarHBondContact O-CG2 3.37Å; S2529-V2533 PolarHBondContact O-N 3.14Å; S2529-V2533 VanDerWaalsContact O-N 3.08Å; S2529-D2669 WeakPolarHBondContact CB-OD2 3.18Å; S2529-D2669 PolarHBondContact OG-OD2 2.94Å |
| 2530 | I | 80.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 177.1 | -63.2 | 158.5 | 0 | 0 | 0 | 110.9 | T2459 H2526 G2527 A2532 V2533 C2534 K2555 Q2556 L2559 | T2459-I2530 HydrophobicContact CG2-CB 3.59Å; T2459-I2530 HydrophobicContact CG2-CD1 3.91Å; T2459-I2530 HydrophobicContact CG2-CG1 4.38Å; T2459-I2530 HydrophobicContact CG2-CG2 3.63Å; H2526-I2530 WeakPolarHBondContact O-CD1 3.42Å; H2526-I2530 VanDerWaalsContact O-CG1 3.31Å; H2526-I2530 WeakPolarHBondContact O-CG1 3.24Å; H2526-I2530 PolarHBondContact O-N 3.15Å; G2527-I2530 PolarHBondContact O-N 2.91Å; I2530-A2532 PolarHBondContact O-N 3.11Å; I2530-V2533 CarbonylContact O-C 3.48Å; I2530-V2533 PolarHBondContact O-N 3.09Å; I2530-V2533 VanDerWaalsContact O-N 3.11Å; I2530-C2534 PolarHBondContact O-N 3.2Å; I2530-C2534 PolarHBondContact O-SG 3.26Å; I2530-C2534 VanDerWaalsContact O-SG 3.35Å; I2530-K2555 HydrophobicContact CD1-CB 4.46Å; I2530-K2555 HydrophobicContact CG1-CB 3.72Å; I2530-Q2556 HydrophobicContact CD1-CB 4.49Å; I2530-L2559 HydrophobicContact CD1-CB 3.77Å; I2530-L2559 HydrophobicContact CD1-CD2 3.77Å; I2530-L2559 HydrophobicContact CD1-CG 4.26Å |
| 2531 | S | 79.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.1 | -39.7 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 112.4 | A2382 Q2463 G2527 K2528 C2534 Y2535 | A2382-S2531 PolarHBondContact N-OG 3.42Å; Q2463-S2531 VanDerWaalsContact CD-OG 3.28Å; Q2463-S2531 PolarHBondContact NE2-O 2.91Å; Q2463-S2531 VanDerWaalsContact NE2-O 3.11Å; Q2463-S2531 PolarHBondContact NE2-OG 3.29Å; Q2463-S2531 VanDerWaalsContact NE2-OG 3.11Å; Q2463-S2531 PolarHBondContact OE1-OG 2.89Å; Q2463-S2531 VanDerWaalsContact OE1-OG 3.13Å; G2527-S2531 VanDerWaalsContact O-CB 3.29Å; G2527-S2531 WeakPolarHBondContact O-CB 3.35Å; G2527-S2531 PolarHBondContact O-N 3.37Å; K2528-S2531 WeakPolarHBondContact O-CB 3.28Å; K2528-S2531 PolarHBondContact O-N 3.16Å; S2531-C2534 PolarHBondContact O-N 3.03Å; S2531-Y2535 PolarHBondContact O-N 2.94Å; S2531-Y2535 VanDerWaalsContact O-N 3.14Å |
| 2532 | A | 69.6 | Low | 75.2 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.4 | -35.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V2264 K2528 S2529 I2530 C2534 Y2535 A2536 | V2264-A2532 HydrophobicContact CB-CB 4.1Å; V2264-A2532 HydrophobicContact CG1-CB 3.43Å; V2264-A2532 VanDerWaalsContact CG2-C 3.49Å; V2264-A2532 HydrophobicContact CG2-CB 3.61Å; V2264-A2532 VanDerWaalsContact CG2-CB 3.48Å; V2264-A2532 WeakPolarHBondContact CG2-O 3.2Å; K2528-A2532 WeakPolarHBondContact O-CB 3.41Å; K2528-A2532 PolarHBondContact O-N 3.07Å; K2528-A2532 VanDerWaalsContact O-N 3.11Å; S2529-A2532 PolarHBondContact O-N 3.05Å; I2530-A2532 PolarHBondContact O-N 3.11Å; A2532-C2534 VanDerWaalsContact C-N 3.35Å; A2532-Y2535 PolarHBondContact O-N 3.23Å; A2532-A2536 WeakPolarHBondContact O-CB 3.44Å; A2532-A2536 PolarHBondContact O-N 3.1Å; A2532-A2536 VanDerWaalsContact O-N 3.09Å |
| 2533 | V | 72.3 | Confident | 73.5 | Confident | 11.25 Ų | 11.25 | 38 Ų | 38 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -36.1 | 171 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | V2264 S2529 I2530 A2536 I2537 L2548 L2551 M2552 | V2264-V2533 HydrophobicContact CG2-CG2 4.31Å; S2529-V2533 WeakPolarHBondContact O-CG2 3.37Å; S2529-V2533 PolarHBondContact O-N 3.14Å; S2529-V2533 VanDerWaalsContact O-N 3.08Å; I2530-V2533 CarbonylContact O-C 3.48Å; I2530-V2533 PolarHBondContact O-N 3.09Å; I2530-V2533 VanDerWaalsContact O-N 3.11Å; V2533-A2536 CarbonylContact O-C 3.51Å; V2533-A2536 WeakPolarHBondContact O-CA 3.46Å; V2533-A2536 VanDerWaalsContact O-CB 3.31Å; V2533-A2536 WeakPolarHBondContact O-CB 3.3Å; V2533-A2536 PolarHBondContact O-N 3.14Å; V2533-A2536 VanDerWaalsContact O-N 3.14Å; V2533-I2537 HydrophobicContact CG1-CD1 4.01Å; V2533-I2537 HydrophobicContact CG1-CG1 4.44Å; V2533-I2537 VanDerWaalsContact O-CG1 3.29Å; V2533-I2537 WeakPolarHBondContact O-CG1 3.32Å; V2533-I2537 PolarHBondContact O-N 3.27Å; V2533-L2548 HydrophobicContact CG1-CD2 4.17Å; V2533-L2551 HydrophobicContact CG1-CD2 4.49Å; V2533-L2551 HydrophobicContact CG2-CD2 4.01Å; V2533-L2551 HydrophobicContact CG2-CG 4.28Å; V2533-M2552 HydrophobicContact CG1-CB 3.9Å; V2533-M2552 HydrophobicContact CG1-CG 4.45Å |
| 2534 | C | 76.6 | Confident | 71.6 | Confident | 10.25 Ų | 10.25 | 42 Ų | 42 | 7% | 0.069 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 175.9 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | I2530 S2531 A2532 A2536 I2537 E2538 M2552 | I2530-C2534 PolarHBondContact O-N 3.2Å; I2530-C2534 PolarHBondContact O-SG 3.26Å; I2530-C2534 VanDerWaalsContact O-SG 3.35Å; S2531-C2534 PolarHBondContact O-N 3.03Å; A2532-C2534 VanDerWaalsContact C-N 3.35Å; C2534-A2536 VanDerWaalsContact C-N 3.29Å; C2534-A2536 PolarHBondContact O-N 3Å; C2534-I2537 WeakPolarHBondContact O-CA 3.34Å; C2534-I2537 WeakPolarHBondContact O-CB 3.42Å; C2534-I2537 PolarHBondContact O-N 3.07Å; C2534-I2537 VanDerWaalsContact O-N 3.14Å; C2534-E2538 WeakPolarHBondContact O-CG 3.38Å; C2534-E2538 PolarHBondContact O-N 3.34Å; C2534-M2552 VanDerWaalsContact SG-CE 3.5Å |
| 2535 | Y | 71.7 | Confident | 69.7 | Low | 26 Ų | 26 | 46.3 Ų | 46.3 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -38.9 | 173 | -174.7 | -91.8 | 0 | 0 | 0 | 111.9 | F2263 C2378 T2379 S2531 A2532 I2537 E2538 F2539 | F2263-Y2535 HydrophobicContact CD1-CD1 4.4Å; F2263-Y2535 HydrophobicContact CD1-CE1 4.27Å; F2263-Y2535 AromaticContact CE1-CD1 3.73Å; F2263-Y2535 HydrophobicContact CE1-CD1 3.91Å; F2263-Y2535 AromaticContact CE1-CE1 3.73Å; F2263-Y2535 HydrophobicContact CE1-CE1 3.73Å; F2263-Y2535 VanDerWaalsContact CE1-CE1 3.41Å; F2263-Y2535 HydrophobicContact CZ-CD1 4.35Å; F2263-Y2535 AromaticContact CZ-CE1 3.89Å; F2263-Y2535 HydrophobicContact CZ-CE1 3.89Å; C2378-Y2535 HydrophobicContact CB-CE1 4.29Å; C2378-Y2535 HydrophobicContact CB-CE2 4.08Å; C2378-Y2535 WeakPolarHBondContact O-CD2 3.38Å; C2378-Y2535 VanDerWaalsContact O-CE2 3.27Å; C2378-Y2535 WeakPolarHBondContact O-CE2 3.43Å; T2379-Y2535 HydrophobicContact CG2-CD1 4.37Å; T2379-Y2535 HydrophobicContact CG2-CD2 4.17Å; T2379-Y2535 HydrophobicContact CG2-CG 3.89Å; S2531-Y2535 PolarHBondContact O-N 2.94Å; S2531-Y2535 VanDerWaalsContact O-N 3.14Å; A2532-Y2535 PolarHBondContact O-N 3.23Å; Y2535-I2537 VanDerWaalsContact C-N 3.32Å; Y2535-I2537 PolarHBondContact O-N 3.01Å; Y2535-E2538 PolarHBondContact O-N 3.25Å; Y2535-F2539 HydrophobicContact CD1-CD2 4.14Å; Y2535-F2539 AromaticContact CD2-CD2 3.98Å; Y2535-F2539 HydrophobicContact CD2-CD2 4.15Å; Y2535-F2539 AromaticContact CD2-CE2 3.81Å; Y2535-F2539 HydrophobicContact CD2-CE2 4.02Å; Y2535-F2539 AromaticContact CE1-CD2 3.78Å; Y2535-F2539 HydrophobicContact CE1-CD2 3.78Å; Y2535-F2539 AromaticContact CE1-CE2 3.9Å; Y2535-F2539 HydrophobicContact CE1-CE2 3.96Å; Y2535-F2539 HydrophobicContact CE1-CG 4.31Å; Y2535-F2539 HydrophobicContact CE1-CZ 4.48Å; Y2535-F2539 AromaticContact CE2-CD2 3.82Å; Y2535-F2539 HydrophobicContact CE2-CD2 3.82Å; Y2535-F2539 AromaticContact CE2-CE2 3.33Å; Y2535-F2539 HydrophobicContact CE2-CE2 3.33Å; Y2535-F2539 VanDerWaalsContact CE2-CE2 3.5Å; Y2535-F2539 AromaticContact CE2-CZ 3.87Å; Y2535-F2539 HydrophobicContact CE2-CZ 4.14Å; Y2535-F2539 HydrophobicContact CG-CD2 4.33Å; Y2535-F2539 HydrophobicContact CG-CE2 4.47Å; Y2535-F2539 AromaticContact CZ-CD2 3.62Å; Y2535-F2539 AromaticContact CZ-CE2 3.3Å; Y2535-F2539 AromaticContact CZ-CZ 3.73Å; Y2535-F2539 WeakPolarHBondContact O-CB 3.46Å; Y2535-F2539 WeakPolarHBondContact O-CD2 3.48Å; Y2535-F2539 PolarHBondContact O-N 3.07Å; Y2535-F2539 VanDerWaalsContact O-N 3.09Å; Y2535-F2539 VanDerWaalsContact OH-CE2 3.29Å; Y2535-F2539 WeakPolarHBondContact OH-CE2 3.46Å; Y2535-F2539 VanDerWaalsContact OH-CZ 3.25Å; Y2535-F2539 WeakPolarHBondContact OH-CZ 3.41Å |
| 2536 | A | 66.6 | Low | 68.8 | Low | 2.75 Ų | 2.75 | 50.3 Ų | 50.3 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P2260 A2532 V2533 C2534 F2539 W2540 L2548 | P2260-A2536 HydrophobicContact CB-CB 3.91Å; A2532-A2536 WeakPolarHBondContact O-CB 3.44Å; A2532-A2536 PolarHBondContact O-N 3.1Å; A2532-A2536 VanDerWaalsContact O-N 3.09Å; V2533-A2536 CarbonylContact O-C 3.51Å; V2533-A2536 WeakPolarHBondContact O-CA 3.46Å; V2533-A2536 VanDerWaalsContact O-CB 3.31Å; V2533-A2536 WeakPolarHBondContact O-CB 3.3Å; V2533-A2536 PolarHBondContact O-N 3.14Å; V2533-A2536 VanDerWaalsContact O-N 3.14Å; C2534-A2536 VanDerWaalsContact C-N 3.29Å; C2534-A2536 PolarHBondContact O-N 3Å; A2536-F2539 PolarHBondContact O-N 3.18Å; A2536-W2540 HydrophobicContact CB-CE3 3.52Å; A2536-W2540 VanDerWaalsContact CB-CE3 3.48Å; A2536-W2540 HydrophobicContact CB-CZ3 3.45Å; A2536-W2540 VanDerWaalsContact CB-CZ3 3.45Å; A2536-W2540 WeakPolarHBondContact O-CB 3.42Å; A2536-W2540 VanDerWaalsContact O-CD1 3.27Å; A2536-W2540 PolarHBondContact O-N 3Å; A2536-L2548 HydrophobicContact CB-CD1 4.35Å; A2536-L2548 HydrophobicContact CB-CD2 4.16Å |
| 2537 | I | 70 | Confident | 68 | Low | 26 Ų | 26 | 52.8 Ų | 52.8 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.7 | -48.4 | 173.7 | -70.3 | 165.3 | 0 | 0 | 0 | 110.1 | V2533 C2534 Y2535 F2539 W2540 N2541 L2548 M2552 | V2533-I2537 HydrophobicContact CG1-CD1 4.01Å; V2533-I2537 HydrophobicContact CG1-CG1 4.44Å; V2533-I2537 VanDerWaalsContact O-CG1 3.29Å; V2533-I2537 WeakPolarHBondContact O-CG1 3.32Å; V2533-I2537 PolarHBondContact O-N 3.27Å; C2534-I2537 WeakPolarHBondContact O-CA 3.34Å; C2534-I2537 WeakPolarHBondContact O-CB 3.42Å; C2534-I2537 PolarHBondContact O-N 3.07Å; C2534-I2537 VanDerWaalsContact O-N 3.14Å; Y2535-I2537 VanDerWaalsContact C-N 3.32Å; Y2535-I2537 PolarHBondContact O-N 3.01Å; I2537-F2539 PolarHBondContact O-N 3.09Å; I2537-F2539 VanDerWaalsContact O-N 3.11Å; I2537-W2540 PolarHBondContact O-N 3.16Å; I2537-W2540 VanDerWaalsContact O-N 3.16Å; I2537-N2541 HydrophobicContact CB-CB 4.47Å; I2537-N2541 HydrophobicContact CG2-CB 3.91Å; I2537-N2541 WeakPolarHBondContact CG2-OD1 3.38Å; I2537-N2541 WeakPolarHBondContact O-CA 3.32Å; I2537-N2541 VanDerWaalsContact O-CB 3.22Å; I2537-N2541 WeakPolarHBondContact O-CB 3.42Å; I2537-N2541 PolarHBondContact O-N 3.31Å; I2537-N2541 VanDerWaalsContact O-N 3.1Å; I2537-L2548 HydrophobicContact CD1-CB 4.4Å; I2537-L2548 HydrophobicContact CG1-CB 3.83Å; I2537-L2548 HydrophobicContact CG1-CD1 4.29Å; I2537-L2548 HydrophobicContact CG1-CD2 4.23Å; I2537-L2548 HydrophobicContact CG1-CG 4.43Å; I2537-M2552 HydrophobicContact CD1-CB 4.01Å; I2537-M2552 HydrophobicContact CD1-CG 4.26Å; I2537-M2552 HydrophobicContact CD1-SD 3.61Å; I2537-M2552 WeakPolarHBondContact CD1-SD 3.4Å |
| 2538 | E | 70.6 | Confident | 67 | Low | 140.5 Ų | 140.5 | 53.5 Ų | 53.5 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -57.6 | -31.7 | 179.7 | -73.4 | 173.8 | -177.9 | 0 | 0 | 113.4 | C2534 Y2535 | C2534-E2538 WeakPolarHBondContact O-CG 3.38Å; C2534-E2538 PolarHBondContact O-N 3.34Å; Y2535-E2538 PolarHBondContact O-N 3.25Å |
| 2539 | F | 63.9 | Low | 66.6 | Low | 52.25 Ų | 52.25 | 53.8 Ų | 53.8 | 23% | 0.229 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -97 | -26.5 | -177.4 | -103.4 | -92.5 | 0 | 0 | 0 | 115.4 | I2327 T2329 Y2535 A2536 I2537 | I2327-F2539 HydrophobicContact CD1-CD1 4.43Å; I2327-F2539 HydrophobicContact CD1-CE1 4.42Å; I2327-F2539 WeakPolarHBondContact CD1-O 3.27Å; T2329-F2539 VanDerWaalsContact OG1-CE1 3.27Å; T2329-F2539 WeakPolarHBondContact OG1-CE1 3.42Å; T2329-F2539 VanDerWaalsContact OG1-CE2 3.28Å; T2329-F2539 WeakPolarHBondContact OG1-CE2 3.21Å; Y2535-F2539 HydrophobicContact CD1-CD2 4.14Å; Y2535-F2539 AromaticContact CD2-CD2 3.98Å; Y2535-F2539 HydrophobicContact CD2-CD2 4.15Å; Y2535-F2539 AromaticContact CD2-CE2 3.81Å; Y2535-F2539 HydrophobicContact CD2-CE2 4.02Å; Y2535-F2539 AromaticContact CE1-CD2 3.78Å; Y2535-F2539 HydrophobicContact CE1-CD2 3.78Å; Y2535-F2539 AromaticContact CE1-CE2 3.9Å; Y2535-F2539 HydrophobicContact CE1-CE2 3.96Å; Y2535-F2539 HydrophobicContact CE1-CG 4.31Å; Y2535-F2539 HydrophobicContact CE1-CZ 4.48Å; Y2535-F2539 AromaticContact CE2-CD2 3.82Å; Y2535-F2539 HydrophobicContact CE2-CD2 3.82Å; Y2535-F2539 AromaticContact CE2-CE2 3.33Å; Y2535-F2539 HydrophobicContact CE2-CE2 3.33Å; Y2535-F2539 VanDerWaalsContact CE2-CE2 3.5Å; Y2535-F2539 AromaticContact CE2-CZ 3.87Å; Y2535-F2539 HydrophobicContact CE2-CZ 4.14Å; Y2535-F2539 HydrophobicContact CG-CD2 4.33Å; Y2535-F2539 HydrophobicContact CG-CE2 4.47Å; Y2535-F2539 AromaticContact CZ-CD2 3.62Å; Y2535-F2539 AromaticContact CZ-CE2 3.3Å; Y2535-F2539 AromaticContact CZ-CZ 3.73Å; Y2535-F2539 WeakPolarHBondContact O-CB 3.46Å; Y2535-F2539 WeakPolarHBondContact O-CD2 3.48Å; Y2535-F2539 PolarHBondContact O-N 3.07Å; Y2535-F2539 VanDerWaalsContact O-N 3.09Å; Y2535-F2539 VanDerWaalsContact OH-CE2 3.29Å; Y2535-F2539 WeakPolarHBondContact OH-CE2 3.46Å; Y2535-F2539 VanDerWaalsContact OH-CZ 3.25Å; Y2535-F2539 WeakPolarHBondContact OH-CZ 3.41Å; A2536-F2539 PolarHBondContact O-N 3.18Å; I2537-F2539 PolarHBondContact O-N 3.09Å; I2537-F2539 VanDerWaalsContact O-N 3.11Å |
| 2540 | W | 64.2 | Low | 66.6 | Low | 45.75 Ų | 45.75 | 56.1 Ų | 56.1 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -121.7 | 2.2 | -172.4 | -61 | 12.7 | 0 | 0 | 0 | 114.9 | L2259 P2260 F2263 V2320 L2321 H2324 A2536 I2537 D2542 T2544 L2548 | L2259-W2540 HydrophobicContact CB-CH2 4.25Å; L2259-W2540 HydrophobicContact CB-CZ3 4.37Å; L2259-W2540 HydrophobicContact CD2-CH2 4.09Å; L2259-W2540 HydrophobicContact CD2-CZ3 4.18Å; P2260-W2540 HydrophobicContact CB-CD2 4.33Å; P2260-W2540 HydrophobicContact CB-CE3 3.68Å; P2260-W2540 HydrophobicContact CB-CZ3 3.64Å; P2260-W2540 HydrophobicContact CG-CB 4.41Å; P2260-W2540 HydrophobicContact CG-CD2 4.16Å; P2260-W2540 HydrophobicContact CG-CE3 4.02Å; P2260-W2540 HydrophobicContact CG-CG 4.23Å; P2260-W2540 HydrophobicContact CG-CZ3 4.24Å; F2263-W2540 HydrophobicContact CB-CH2 3.41Å; F2263-W2540 HydrophobicContact CB-CZ2 4.24Å; F2263-W2540 HydrophobicContact CB-CZ3 3.93Å; F2263-W2540 AromaticContact CD1-CH2 3.59Å; F2263-W2540 HydrophobicContact CD1-CH2 3.59Å; F2263-W2540 VanDerWaalsContact CD1-CH2 3.49Å; F2263-W2540 AromaticContact CD1-CZ3 3.73Å; F2263-W2540 HydrophobicContact CD1-CZ3 4.02Å; F2263-W2540 AromaticContact CD2-CH2 3.56Å; F2263-W2540 HydrophobicContact CD2-CH2 3.82Å; F2263-W2540 HydrophobicContact CD2-CZ2 4.33Å; F2263-W2540 AromaticContact CE1-CH2 3.97Å; F2263-W2540 HydrophobicContact CE1-CH2 3.97Å; F2263-W2540 HydrophobicContact CE1-CZ3 4.39Å; F2263-W2540 HydrophobicContact CE2-CH2 4.01Å; F2263-W2540 AromaticContact CG-CH2 3.34Å; F2263-W2540 HydrophobicContact CG-CH2 3.34Å; F2263-W2540 VanDerWaalsContact CG-CH2 3.43Å; F2263-W2540 HydrophobicContact CG-CZ2 4.22Å; F2263-W2540 AromaticContact CG-CZ3 3.79Å; F2263-W2540 HydrophobicContact CG-CZ3 4.08Å; F2263-W2540 HydrophobicContact CZ-CH2 4.2Å; V2320-W2540 HydrophobicContact CG1-CZ2 4.18Å; L2321-W2540 HydrophobicContact CD2-CZ2 4.33Å; H2324-W2540 HydrophobicContact CB-CE3 4.41Å; H2324-W2540 HydrophobicContact CB-CH2 3.9Å; H2324-W2540 HydrophobicContact CB-CZ3 3.74Å; H2324-W2540 AromaticContact CD2-CD1 3.96Å; H2324-W2540 AromaticContact CD2-CE3 3.61Å; H2324-W2540 AromaticContact CD2-CZ3 3.57Å; H2324-W2540 AromaticContact CG-CZ3 3.96Å; A2536-W2540 HydrophobicContact CB-CE3 3.52Å; A2536-W2540 VanDerWaalsContact CB-CE3 3.48Å; A2536-W2540 HydrophobicContact CB-CZ3 3.45Å; A2536-W2540 VanDerWaalsContact CB-CZ3 3.45Å; A2536-W2540 WeakPolarHBondContact O-CB 3.42Å; A2536-W2540 VanDerWaalsContact O-CD1 3.27Å; A2536-W2540 PolarHBondContact O-N 3Å; I2537-W2540 PolarHBondContact O-N 3.16Å; I2537-W2540 VanDerWaalsContact O-N 3.16Å; W2540-D2542 VanDerWaalsContact C-N 3.32Å; W2540-D2542 PolarHBondContact O-N 3.11Å; W2540-D2542 VanDerWaalsContact O-N 3.14Å; W2540-T2544 PolarHBondContact O-OG1 3.26Å; W2540-L2548 HydrophobicContact CB-CD1 4.34Å |
| 2541 | N | 59.2 | Low | 66.1 | Low | 67 Ų | 67 | 59 Ų | 59 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | trans | -71.8 | 54.8 | -175.4 | -163.6 | 56.1 | 0 | 0 | 0 | 112.8 | I2537 Q2543 | I2537-N2541 HydrophobicContact CB-CB 4.47Å; I2537-N2541 HydrophobicContact CG2-CB 3.91Å; I2537-N2541 WeakPolarHBondContact CG2-OD1 3.38Å; I2537-N2541 WeakPolarHBondContact O-CA 3.32Å; I2537-N2541 VanDerWaalsContact O-CB 3.22Å; I2537-N2541 WeakPolarHBondContact O-CB 3.42Å; I2537-N2541 PolarHBondContact O-N 3.31Å; I2537-N2541 VanDerWaalsContact O-N 3.1Å; N2541-Q2543 PolarHBondContact O-N 2.85Å | ||
| 2542 | D | 50.8 | Low | 66.1 | Low | 109.25 Ų | 109.25 | 60.9 Ų | 60.9 | 58% | 0.584 | 32% | 0.318 | S | S | * | . | trans | -79.4 | 60.4 | 168.5 | -124 | -1.2 | 0 | 0 | 0 | 111.1 | H2324 W2540 T2544 D2545 | H2324-D2542 IonicContact CE1-OD2 3.76Å; W2540-D2542 VanDerWaalsContact C-N 3.32Å; W2540-D2542 PolarHBondContact O-N 3.11Å; W2540-D2542 VanDerWaalsContact O-N 3.14Å; D2542-T2544 PolarHBondContact O-N 3.19Å; D2542-D2545 PolarHBondContact O-N 2.85Å | ||
| 2543 | Q | 53 | Low | 66.7 | Low | 175.75 Ų | 175.75 | 67.2 Ų | 67.2 | 82% | 0.821 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 4.2 | -173.4 | -66.9 | -166.7 | -2.8 | 0 | 0 | 116.3 | N2541 | N2541-Q2543 PolarHBondContact O-N 2.85Š|
| 2544 | T | 50.7 | Low | 67.1 | Low | 84 Ų | 84 | 70.4 Ų | 70.4 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 11.6 | -172.4 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | W2540 D2542 D2546 T2547 L2548 | W2540-T2544 PolarHBondContact O-OG1 3.26Å; D2542-T2544 PolarHBondContact O-N 3.19Å; T2544-D2546 PolarHBondContact O-N 3.22Å; T2544-D2546 VanDerWaalsContact O-N 3.11Å; T2544-T2547 PolarHBondContact O-N 3.36Å; T2544-T2547 VanDerWaalsContact O-N 3.11Å; T2544-T2547 PolarHBondContact O-OG1 3.46Å; T2544-T2547 VanDerWaalsContact O-OG1 3.13Å; T2544-L2548 PolarHBondContact O-N 3.49Å; T2544-L2548 WeakPolarHBondContact OG1-CD1 3.49Å |
| 2545 | D | 52.1 | Low | 67.2 | Low | 90.75 Ų | 90.75 | 71.9 Ų | 71.9 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | trans | -88.9 | 36.1 | -168 | -118.5 | -24.7 | 0 | 0 | 0 | 115 | D2542 T2547 N2549 | D2542-D2545 PolarHBondContact O-N 2.85Å; D2545-T2547 PolarHBondContact O-N 3.34Å; D2545-T2547 VanDerWaalsContact O-N 3.16Å; D2545-T2547 WeakPolarHBondContact OD1-CG2 3.42Å; D2545-T2547 PolarHBondContact OD1-OG1 2.94Å; D2545-N2549 WeakPolarHBondContact O-CB 3.27Å; D2545-N2549 PolarHBondContact O-N 3.18Å; D2545-N2549 PolarHBondContact O-ND2 3.05Å; D2545-N2549 PolarHBondContact OD1-ND2 2.99Å | ||
| 2546 | D | 65.3 | Low | 67.9 | Low | 118.75 Ų | 118.75 | 72.4 Ų | 72.4 | 64% | 0.635 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -17.8 | -178 | -106.5 | -24 | 0 | 0 | 0 | 114.3 | T2544 L2548 N2549 T2550 | T2544-D2546 PolarHBondContact O-N 3.22Å; T2544-D2546 VanDerWaalsContact O-N 3.11Å; D2546-L2548 PolarHBondContact O-N 2.98Å; D2546-N2549 PolarHBondContact O-N 3.33Å; D2546-T2550 WeakPolarHBondContact O-CB 3.39Å; D2546-T2550 VanDerWaalsContact O-CG2 3.3Å; D2546-T2550 WeakPolarHBondContact O-CG2 3.35Å; D2546-T2550 PolarHBondContact O-N 3.18Å; D2546-T2550 PolarHBondContact O-OG1 3.08Å |
| 2547 | T | 67.1 | Low | 68.8 | Low | 76.5 Ų | 76.5 | 78.5 Ų | 78.5 | 47% | 0.469 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.3 | -45.7 | -173.9 | 51 | 0 | 0 | 0 | 0 | 112.7 | T2544 D2545 N2549 T2550 L2551 | T2544-T2547 PolarHBondContact O-N 3.36Å; T2544-T2547 VanDerWaalsContact O-N 3.11Å; T2544-T2547 PolarHBondContact O-OG1 3.46Å; T2544-T2547 VanDerWaalsContact O-OG1 3.13Å; D2545-T2547 PolarHBondContact O-N 3.34Å; D2545-T2547 VanDerWaalsContact O-N 3.16Å; D2545-T2547 WeakPolarHBondContact OD1-CG2 3.42Å; D2545-T2547 PolarHBondContact OD1-OG1 2.94Å; T2547-N2549 VanDerWaalsContact C-N 3.34Å; T2547-N2549 PolarHBondContact O-N 3.08Å; T2547-T2550 VanDerWaalsContact C-OG1 3.3Å; T2547-T2550 VanDerWaalsContact CA-OG1 3.23Å; T2547-T2550 WeakPolarHBondContact CA-OG1 3.32Å; T2547-T2550 PolarHBondContact O-N 3.2Å; T2547-T2550 PolarHBondContact O-OG1 3.1Å; T2547-L2551 WeakPolarHBondContact O-CB 3.43Å; T2547-L2551 PolarHBondContact O-N 3.29Å |
| 2548 | L | 65.1 | Low | 69.4 | Low | 13.25 Ų | 13.25 | 78 Ų | 78 | 7% | 0.069 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 176.1 | -84.3 | 172.5 | 0 | 0 | 0 | 111.9 | P2260 V2533 A2536 I2537 W2540 T2544 D2546 T2550 L2551 M2552 | P2260-L2548 HydrophobicContact CB-CD1 4.15Å; P2260-L2548 HydrophobicContact CB-CD2 3.86Å; P2260-L2548 HydrophobicContact CB-CG 3.84Å; P2260-L2548 HydrophobicContact CG-CD1 3.98Å; P2260-L2548 HydrophobicContact CG-CD2 4.08Å; P2260-L2548 HydrophobicContact CG-CG 4.22Å; V2533-L2548 HydrophobicContact CG1-CD2 4.17Å; A2536-L2548 HydrophobicContact CB-CD1 4.35Å; A2536-L2548 HydrophobicContact CB-CD2 4.16Å; I2537-L2548 HydrophobicContact CD1-CB 4.4Å; I2537-L2548 HydrophobicContact CG1-CB 3.83Å; I2537-L2548 HydrophobicContact CG1-CD1 4.29Å; I2537-L2548 HydrophobicContact CG1-CD2 4.23Å; I2537-L2548 HydrophobicContact CG1-CG 4.43Å; W2540-L2548 HydrophobicContact CB-CD1 4.34Å; T2544-L2548 PolarHBondContact O-N 3.49Å; T2544-L2548 WeakPolarHBondContact OG1-CD1 3.49Å; D2546-L2548 PolarHBondContact O-N 2.98Å; L2548-T2550 VanDerWaalsContact C-N 3.32Å; L2548-T2550 PolarHBondContact O-N 3.13Å; L2548-L2551 PolarHBondContact O-N 3.29Å; L2548-M2552 WeakPolarHBondContact O-CB 3.38Å; L2548-M2552 PolarHBondContact O-N 3.22Å |
| 2549 | N | 72.9 | Confident | 70.3 | Confident | 46.75 Ų | 46.75 | 71.3 Ų | 71.3 | 25% | 0.25 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | 175.2 | -81 | -50.4 | 0 | 0 | 0 | 112.3 | D2545 D2546 T2547 K2553 | D2545-N2549 WeakPolarHBondContact O-CB 3.27Å; D2545-N2549 PolarHBondContact O-N 3.18Å; D2545-N2549 PolarHBondContact O-ND2 3.05Å; D2545-N2549 PolarHBondContact OD1-ND2 2.99Å; D2546-N2549 PolarHBondContact O-N 3.33Å; T2547-N2549 VanDerWaalsContact C-N 3.34Å; T2547-N2549 PolarHBondContact O-N 3.08Å; N2549-K2553 WeakPolarHBondContact O-CB 3.25Å; N2549-K2553 VanDerWaalsContact O-CD 3.25Å; N2549-K2553 WeakPolarHBondContact O-CD 3.46Å; N2549-K2553 VanDerWaalsContact O-CG 3.29Å; N2549-K2553 WeakPolarHBondContact O-CG 3.35Å; N2549-K2553 PolarHBondContact O-N 3.19Å |
| 2550 | T | 75.8 | Confident | 71.5 | Confident | 73 Ų | 73 | 72 Ų | 72 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 173.4 | 30.8 | 0 | 0 | 0 | 0 | 111.8 | D2546 T2547 L2548 M2552 K2553 T2554 | D2546-T2550 WeakPolarHBondContact O-CB 3.39Å; D2546-T2550 VanDerWaalsContact O-CG2 3.3Å; D2546-T2550 WeakPolarHBondContact O-CG2 3.35Å; D2546-T2550 PolarHBondContact O-N 3.18Å; D2546-T2550 PolarHBondContact O-OG1 3.08Å; T2547-T2550 VanDerWaalsContact C-OG1 3.3Å; T2547-T2550 VanDerWaalsContact CA-OG1 3.23Å; T2547-T2550 WeakPolarHBondContact CA-OG1 3.32Å; T2547-T2550 PolarHBondContact O-N 3.2Å; T2547-T2550 PolarHBondContact O-OG1 3.1Å; L2548-T2550 VanDerWaalsContact C-N 3.32Å; L2548-T2550 PolarHBondContact O-N 3.13Å; T2550-M2552 VanDerWaalsContact C-N 3.33Å; T2550-M2552 PolarHBondContact O-N 3.22Å; T2550-K2553 PolarHBondContact O-N 3.12Å; T2550-T2554 WeakPolarHBondContact O-CB 3.34Å; T2550-T2554 PolarHBondContact O-N 3.1Å; T2550-T2554 PolarHBondContact O-OG1 3.09Å; T2550-T2554 VanDerWaalsContact O-OG1 3.09Å |
| 2551 | L | 72 | Confident | 72.6 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 32% | 0.319 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 173.4 | -178.7 | 62.9 | 0 | 0 | 0 | 111.7 | A2261 V2533 T2547 L2548 K2553 T2554 K2555 | A2261-L2551 HydrophobicContact CB-CD2 4.36Å; V2533-L2551 HydrophobicContact CG1-CD2 4.49Å; V2533-L2551 HydrophobicContact CG2-CD2 4.01Å; V2533-L2551 HydrophobicContact CG2-CG 4.28Å; T2547-L2551 WeakPolarHBondContact O-CB 3.43Å; T2547-L2551 PolarHBondContact O-N 3.29Å; L2548-L2551 PolarHBondContact O-N 3.29Å; L2551-K2553 PolarHBondContact O-N 3.15Å; L2551-T2554 VanDerWaalsContact CA-OG1 3.27Å; L2551-T2554 WeakPolarHBondContact CA-OG1 3.47Å; L2551-T2554 PolarHBondContact O-N 3.29Å; L2551-T2554 PolarHBondContact O-OG1 3.5Å; L2551-K2555 HydrophobicContact CD1-CG 4.25Å; L2551-K2555 WeakPolarHBondContact O-CG 3.4Å; L2551-K2555 PolarHBondContact O-N 3.31Å |
| 2552 | M | 79.3 | Confident | 73.9 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.1 | -173.9 | -171.7 | -178.7 | 0 | 0 | 111.4 | S2460 V2533 C2534 I2537 L2548 T2550 T2554 K2555 Q2556 | S2460-M2552 VanDerWaalsContact CB-CE 3.48Å; V2533-M2552 HydrophobicContact CG1-CB 3.9Å; V2533-M2552 HydrophobicContact CG1-CG 4.45Å; C2534-M2552 VanDerWaalsContact SG-CE 3.5Å; I2537-M2552 HydrophobicContact CD1-CB 4.01Å; I2537-M2552 HydrophobicContact CD1-CG 4.26Å; I2537-M2552 HydrophobicContact CD1-SD 3.61Å; I2537-M2552 WeakPolarHBondContact CD1-SD 3.4Å; L2548-M2552 WeakPolarHBondContact O-CB 3.38Å; L2548-M2552 PolarHBondContact O-N 3.22Å; T2550-M2552 VanDerWaalsContact C-N 3.33Å; T2550-M2552 PolarHBondContact O-N 3.22Å; M2552-T2554 VanDerWaalsContact C-N 3.32Å; M2552-T2554 PolarHBondContact O-N 3.07Å; M2552-K2555 PolarHBondContact O-N 3.19Å; M2552-Q2556 WeakPolarHBondContact O-CB 3.38Å; M2552-Q2556 PolarHBondContact O-N 3.14Å |
| 2553 | K | 82.1 | Confident | 75.8 | Confident | 140.5 Ų | 140.5 | 66.3 Ų | 66.3 | 61% | 0.611 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.4 | -39.9 | 176.4 | -74.3 | 166.4 | -172.1 | 166.7 | 0 | 112.1 | N2549 T2550 L2551 K2557 | N2549-K2553 WeakPolarHBondContact O-CB 3.25Å; N2549-K2553 VanDerWaalsContact O-CD 3.25Å; N2549-K2553 WeakPolarHBondContact O-CD 3.46Å; N2549-K2553 VanDerWaalsContact O-CG 3.29Å; N2549-K2553 WeakPolarHBondContact O-CG 3.35Å; N2549-K2553 PolarHBondContact O-N 3.19Å; T2550-K2553 PolarHBondContact O-N 3.12Å; L2551-K2553 PolarHBondContact O-N 3.15Å; K2553-K2557 WeakPolarHBondContact O-CB 3.43Å; K2553-K2557 PolarHBondContact O-N 3.14Å |
| 2554 | T | 79.4 | Confident | 77.5 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.4 | -48.4 | 178.1 | -41.5 | 0 | 0 | 0 | 0 | 111.7 | T2550 L2551 M2552 Q2556 K2557 A2558 D2666 | T2550-T2554 WeakPolarHBondContact O-CB 3.34Å; T2550-T2554 PolarHBondContact O-N 3.1Å; T2550-T2554 PolarHBondContact O-OG1 3.09Å; T2550-T2554 VanDerWaalsContact O-OG1 3.09Å; L2551-T2554 VanDerWaalsContact CA-OG1 3.27Å; L2551-T2554 WeakPolarHBondContact CA-OG1 3.47Å; L2551-T2554 PolarHBondContact O-N 3.29Å; L2551-T2554 PolarHBondContact O-OG1 3.5Å; M2552-T2554 VanDerWaalsContact C-N 3.32Å; M2552-T2554 PolarHBondContact O-N 3.07Å; T2554-Q2556 VanDerWaalsContact C-N 3.33Å; T2554-Q2556 PolarHBondContact O-N 3.12Å; T2554-K2557 WeakPolarHBondContact O-CB 3.42Å; T2554-K2557 PolarHBondContact O-N 3.11Å; T2554-K2557 VanDerWaalsContact O-N 3.17Å; T2554-A2558 PolarHBondContact O-N 2.95Å; T2554-D2666 HydrophobicContact CG2-CB 4.01Å; T2554-D2666 WeakPolarHBondContact CG2-OD2 3.35Å |
| 2555 | K | 80.1 | Confident | 79.3 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 176.8 | -66.4 | -68.3 | -175.5 | 179.9 | 0 | 111.9 | I2530 L2551 M2552 K2557 A2558 L2559 D2666 D2668 D2669 | I2530-K2555 HydrophobicContact CD1-CB 4.46Å; I2530-K2555 HydrophobicContact CG1-CB 3.72Å; L2551-K2555 HydrophobicContact CD1-CG 4.25Å; L2551-K2555 WeakPolarHBondContact O-CG 3.4Å; L2551-K2555 PolarHBondContact O-N 3.31Å; M2552-K2555 PolarHBondContact O-N 3.19Å; K2555-K2557 VanDerWaalsContact C-N 3.35Å; K2555-K2557 PolarHBondContact O-N 3.07Å; K2555-A2558 PolarHBondContact O-N 3.03Å; K2555-L2559 PolarHBondContact O-N 2.96Å; K2555-D2666 HydrophobicContact CD-CB 4.4Å; K2555-D2666 WeakPolarHBondContact CE-OD1 3.25Å; K2555-D2666 PolarHBondContact NZ-O 3.15Å; K2555-D2666 VanDerWaalsContact NZ-O 3.13Å; K2555-D2666 IonicContact NZ-OD1 3.81Å; K2555-D2666 PolarHBondContact NZ-OD1 3.16Å; K2555-D2668 WeakPolarHBondContact CD-OD1 3.37Å; K2555-D2668 WeakPolarHBondContact CD-OD2 3.49Å; K2555-D2668 VanDerWaalsContact CE-OD1 3.27Å; K2555-D2668 WeakPolarHBondContact CE-OD1 3.4Å; K2555-D2668 VanDerWaalsContact NZ-CG 3.28Å; K2555-D2668 IonicContact NZ-OD1 3.96Å; K2555-D2668 PolarHBondContact NZ-OD1 2.62Å; K2555-D2668 IonicContact NZ-OD2 2.77Å; K2555-D2669 IonicContact NZ-OD1 2.71Å; K2555-D2669 PolarHBondContact NZ-OD1 3.02Å; K2555-D2669 IonicContact NZ-OD2 3.77Å; K2555-D2669 PolarHBondContact NZ-OD2 3.07Å |
| 2556 | Q | 85.2 | Confident | 81.1 | Confident | 36.5 Ų | 36.5 | 57.5 Ų | 57.5 | 17% | 0.171 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -38.3 | 172.9 | -174.3 | 68 | 51.7 | 0 | 0 | 112.3 | I2530 M2552 T2554 L2559 N2560 | I2530-Q2556 HydrophobicContact CD1-CB 4.49Å; M2552-Q2556 WeakPolarHBondContact O-CB 3.38Å; M2552-Q2556 PolarHBondContact O-N 3.14Å; T2554-Q2556 VanDerWaalsContact C-N 3.33Å; T2554-Q2556 PolarHBondContact O-N 3.12Å; Q2556-L2559 PolarHBondContact O-N 3.2Å; Q2556-N2560 PolarHBondContact NE2-OD1 2.98Å; Q2556-N2560 VanDerWaalsContact O-CG 3.3Å; Q2556-N2560 PolarHBondContact O-N 3.23Å; Q2556-N2560 VanDerWaalsContact O-N 3.1Å; Q2556-N2560 PolarHBondContact O-ND2 3.07Å; Q2556-N2560 PolarHBondContact O-OD1 3.47Å |
| 2557 | K | 86.7 | Confident | 82.3 | Confident | 130.5 Ų | 130.5 | 55.2 Ų | 55.2 | 57% | 0.567 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.7 | -47.1 | 172.9 | -174.5 | -168.8 | 171.6 | -160.1 | 0 | 110.7 | K2553 T2554 K2555 L2559 N2560 D2561 | K2553-K2557 WeakPolarHBondContact O-CB 3.43Å; K2553-K2557 PolarHBondContact O-N 3.14Å; T2554-K2557 WeakPolarHBondContact O-CB 3.42Å; T2554-K2557 PolarHBondContact O-N 3.11Å; T2554-K2557 VanDerWaalsContact O-N 3.17Å; K2555-K2557 VanDerWaalsContact C-N 3.35Å; K2555-K2557 PolarHBondContact O-N 3.07Å; K2557-L2559 VanDerWaalsContact C-N 3.31Å; K2557-L2559 PolarHBondContact O-N 3.31Å; K2557-N2560 WeakPolarHBondContact O-CB 3.32Å; K2557-N2560 PolarHBondContact O-N 2.94Å; K2557-N2560 VanDerWaalsContact O-N 3.12Å; K2557-D2561 WeakPolarHBondContact CE-OD2 3.41Å; K2557-D2561 IonicContact NZ-OD2 3.84Å; K2557-D2561 PolarHBondContact NZ-OD2 3.19Å; K2557-D2561 VanDerWaalsContact O-CG 3.31Å; K2557-D2561 PolarHBondContact O-N 3.26Å |
| 2558 | A | 82.4 | Confident | 83.3 | Confident | 14.5 Ų | 14.5 | 57.3 Ų | 57.3 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | H2526 T2554 K2555 N2560 D2561 T2562 L2667 | H2526-A2558 VanDerWaalsContact CD2-CB 3.48Å; H2526-A2558 WeakPolarHBondContact CD2-CB 3.42Å; H2526-A2558 WeakPolarHBondContact NE2-CB 3.36Å; T2554-A2558 PolarHBondContact O-N 2.95Å; K2555-A2558 PolarHBondContact O-N 3.03Å; A2558-N2560 PolarHBondContact O-N 3.22Å; A2558-D2561 PolarHBondContact O-N 3.43Å; A2558-T2562 VanDerWaalsContact O-CB 3.27Å; A2558-T2562 WeakPolarHBondContact O-CB 3.41Å; A2558-T2562 PolarHBondContact O-N 3.31Å; A2558-T2562 PolarHBondContact O-OG1 3.15Å; A2558-L2667 HydrophobicContact CB-CD2 4.08Å; A2558-L2667 HydrophobicContact CB-CG 4.26Å |
| 2559 | L | 88.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 170.3 | -177.4 | 74 | 0 | 0 | 0 | 111.7 | L2455 I2456 T2459 L2523 H2526 I2530 K2555 Q2556 K2557 T2562 A2563 | L2455-L2559 HydrophobicContact CD2-CD1 4.12Å; L2455-L2559 HydrophobicContact CD2-CD2 4.38Å; I2456-L2559 HydrophobicContact CB-CD2 4.45Å; I2456-L2559 HydrophobicContact CG1-CD2 4.08Å; I2456-L2559 HydrophobicContact CG1-CG 4.29Å; I2456-L2559 HydrophobicContact CG2-CD2 4.46Å; T2459-L2559 HydrophobicContact CG2-CD2 4.32Å; L2523-L2559 HydrophobicContact CD1-CD1 3.66Å; L2523-L2559 HydrophobicContact CD1-CG 4.25Å; L2523-L2559 HydrophobicContact CG-CD1 3.94Å; L2523-L2559 VanDerWaalsContact O-CD1 3.24Å; L2523-L2559 WeakPolarHBondContact O-CD1 3.37Å; H2526-L2559 HydrophobicContact CB-CB 4.02Å; H2526-L2559 HydrophobicContact CB-CD1 3.59Å; H2526-L2559 HydrophobicContact CB-CG 4.43Å; I2530-L2559 HydrophobicContact CD1-CB 3.77Å; I2530-L2559 HydrophobicContact CD1-CD2 3.77Å; I2530-L2559 HydrophobicContact CD1-CG 4.26Å; K2555-L2559 PolarHBondContact O-N 2.96Å; Q2556-L2559 PolarHBondContact O-N 3.2Å; K2557-L2559 VanDerWaalsContact C-N 3.31Å; K2557-L2559 PolarHBondContact O-N 3.31Å; L2559-T2562 PolarHBondContact O-N 3.07Å; L2559-A2563 WeakPolarHBondContact O-CB 3.35Å; L2559-A2563 PolarHBondContact O-N 3.03Å |
| 2560 | N | 89.2 | Confident | 85.3 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 179.3 | -69.5 | -21.1 | 0 | 0 | 0 | 111.9 | I2456 Q2556 K2557 A2558 T2562 A2563 V2564 | I2456-N2560 WeakPolarHBondContact CG2-OD1 3.42Å; Q2556-N2560 PolarHBondContact NE2-OD1 2.98Å; Q2556-N2560 VanDerWaalsContact O-CG 3.3Å; Q2556-N2560 PolarHBondContact O-N 3.23Å; Q2556-N2560 VanDerWaalsContact O-N 3.1Å; Q2556-N2560 PolarHBondContact O-ND2 3.07Å; Q2556-N2560 PolarHBondContact O-OD1 3.47Å; K2557-N2560 WeakPolarHBondContact O-CB 3.32Å; K2557-N2560 PolarHBondContact O-N 2.94Å; K2557-N2560 VanDerWaalsContact O-N 3.12Å; A2558-N2560 PolarHBondContact O-N 3.22Å; N2560-T2562 VanDerWaalsContact C-N 3.33Å; N2560-T2562 PolarHBondContact O-N 3.36Å; N2560-A2563 WeakPolarHBondContact O-CB 3.31Å; N2560-A2563 PolarHBondContact O-N 2.98Å; N2560-A2563 VanDerWaalsContact O-N 3.16Å; N2560-V2564 WeakPolarHBondContact O-CG2 3.43Å; N2560-V2564 PolarHBondContact O-N 3.07Å; N2560-V2564 VanDerWaalsContact O-N 3.09Å |
| 2561 | D | 87.6 | Confident | 85.9 | Confident | 83 Ų | 83 | 55.5 Ų | 55.5 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 177.2 | -67.4 | -17.7 | 0 | 0 | 0 | 110.3 | K2557 A2558 A2563 V2564 Q2565 | K2557-D2561 WeakPolarHBondContact CE-OD2 3.41Å; K2557-D2561 IonicContact NZ-OD2 3.84Å; K2557-D2561 PolarHBondContact NZ-OD2 3.19Å; K2557-D2561 VanDerWaalsContact O-CG 3.31Å; K2557-D2561 PolarHBondContact O-N 3.26Å; A2558-D2561 PolarHBondContact O-N 3.43Å; D2561-A2563 VanDerWaalsContact C-N 3.34Å; D2561-A2563 PolarHBondContact O-N 2.87Å; D2561-V2564 WeakPolarHBondContact O-CB 3.43Å; D2561-V2564 PolarHBondContact O-N 3.16Å; D2561-Q2565 PolarHBondContact O-N 3.25Å; D2561-Q2565 VanDerWaalsContact O-N 3.13Å |
| 2562 | T | 87.4 | Confident | 86.7 | Confident | 13.75 Ų | 13.75 | 54.1 Ų | 54.1 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 172.9 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | R2522 L2523 H2526 A2558 L2559 N2560 V2564 Q2565 V2566 | R2522-T2562 HydrophobicContact CB-CG2 3.9Å; L2523-T2562 HydrophobicContact CB-CG2 4.24Å; L2523-T2562 HydrophobicContact CD1-CG2 4.27Å; H2526-T2562 PolarHBondContact CE1-OG1 3.1Å; H2526-T2562 VanDerWaalsContact CE1-OG1 3.29Å; H2526-T2562 PolarHBondContact ND1-OG1 3.06Å; A2558-T2562 VanDerWaalsContact O-CB 3.27Å; A2558-T2562 WeakPolarHBondContact O-CB 3.41Å; A2558-T2562 PolarHBondContact O-N 3.31Å; A2558-T2562 PolarHBondContact O-OG1 3.15Å; L2559-T2562 PolarHBondContact O-N 3.07Å; N2560-T2562 VanDerWaalsContact C-N 3.33Å; N2560-T2562 PolarHBondContact O-N 3.36Å; T2562-V2564 VanDerWaalsContact C-N 3.32Å; T2562-V2564 PolarHBondContact O-N 3.21Å; T2562-Q2565 WeakPolarHBondContact O-CA 3.31Å; T2562-Q2565 WeakPolarHBondContact O-CB 3.48Å; T2562-Q2565 PolarHBondContact O-N 3.16Å; T2562-Q2565 VanDerWaalsContact O-N 3.11Å; T2562-V2566 WeakPolarHBondContact O-CG2 3.29Å; T2562-V2566 PolarHBondContact O-N 3.17Å |
| 2563 | A | 89.8 | Confident | 87.2 | Confident | 5.5 Ų | 5.5 | 52.2 Ų | 52.2 | 5% | 0.045 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M2452 I2456 L2523 L2559 N2560 D2561 Q2565 V2566 I2567 | M2452-A2563 VanDerWaalsContact CE-CA 3.49Å; M2452-A2563 HydrophobicContact CE-CB 4.01Å; M2452-A2563 VanDerWaalsContact CE-O 3.27Å; M2452-A2563 WeakPolarHBondContact CE-O 3.39Å; M2452-A2563 HydrophobicContact CG-CB 4.24Å; M2452-A2563 HydrophobicContact SD-CB 3.84Å; I2456-A2563 HydrophobicContact CD1-CB 3.49Å; I2456-A2563 HydrophobicContact CG1-CB 4.39Å; L2523-A2563 HydrophobicContact CD1-CB 3.89Å; L2559-A2563 WeakPolarHBondContact O-CB 3.35Å; L2559-A2563 PolarHBondContact O-N 3.03Å; N2560-A2563 WeakPolarHBondContact O-CB 3.31Å; N2560-A2563 PolarHBondContact O-N 2.98Å; N2560-A2563 VanDerWaalsContact O-N 3.16Å; D2561-A2563 VanDerWaalsContact C-N 3.34Å; D2561-A2563 PolarHBondContact O-N 2.87Å; A2563-Q2565 VanDerWaalsContact C-N 3.31Å; A2563-Q2565 PolarHBondContact O-N 3.09Å; A2563-V2566 PolarHBondContact O-N 3.15Å; A2563-I2567 WeakPolarHBondContact O-CG1 3.42Å; A2563-I2567 PolarHBondContact O-N 3.22Å; A2563-I2567 VanDerWaalsContact O-N 3.1Å |
| 2564 | V | 90.1 | Very high | 87.6 | Confident | 92.75 Ų | 92.75 | 46.9 Ų | 46.9 | 56% | 0.562 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.6 | -43.5 | 172.6 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | N2560 D2561 T2562 V2566 I2567 E2568 | N2560-V2564 WeakPolarHBondContact O-CG2 3.43Å; N2560-V2564 PolarHBondContact O-N 3.07Å; N2560-V2564 VanDerWaalsContact O-N 3.09Å; D2561-V2564 WeakPolarHBondContact O-CB 3.43Å; D2561-V2564 PolarHBondContact O-N 3.16Å; T2562-V2564 VanDerWaalsContact C-N 3.32Å; T2562-V2564 PolarHBondContact O-N 3.21Å; V2564-V2566 VanDerWaalsContact C-N 3.33Å; V2564-V2566 PolarHBondContact O-N 3.39Å; V2564-I2567 WeakPolarHBondContact O-CB 3.48Å; V2564-I2567 PolarHBondContact O-N 3.2Å; V2564-I2567 VanDerWaalsContact O-N 3.16Å; V2564-E2568 PolarHBondContact O-N 3.11Å |
| 2565 | Q | 87.4 | Confident | 88 | Confident | 71.25 Ų | 71.25 | 47.4 Ų | 47.4 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 177.3 | -168.8 | 83.4 | 60 | 0 | 0 | 112.8 | D2561 T2562 A2563 I2567 E2568 T2569 | D2561-Q2565 PolarHBondContact O-N 3.25Å; D2561-Q2565 VanDerWaalsContact O-N 3.13Å; T2562-Q2565 WeakPolarHBondContact O-CA 3.31Å; T2562-Q2565 WeakPolarHBondContact O-CB 3.48Å; T2562-Q2565 PolarHBondContact O-N 3.16Å; T2562-Q2565 VanDerWaalsContact O-N 3.11Å; A2563-Q2565 VanDerWaalsContact C-N 3.31Å; A2563-Q2565 PolarHBondContact O-N 3.09Å; Q2565-I2567 VanDerWaalsContact C-N 3.33Å; Q2565-I2567 PolarHBondContact O-N 3.45Å; Q2565-E2568 PolarHBondContact NE2-OE2 2.96Å; Q2565-E2568 WeakPolarHBondContact O-CB 3.41Å; Q2565-E2568 PolarHBondContact O-N 3.22Å; Q2565-T2569 WeakPolarHBondContact O-CG2 3.45Å; Q2565-T2569 PolarHBondContact O-N 3.38Å |
| 2566 | V | 89.6 | Confident | 88.2 | Confident | 0.5 Ų | 0.5 | 45.5 Ų | 45.5 | 0% | 0.003 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | M2452 V2516 G2519 L2520 T2562 A2563 V2564 E2568 T2569 I2570 | M2452-V2566 HydrophobicContact CE-CB 3.75Å; M2452-V2566 HydrophobicContact CE-CG1 3.79Å; M2452-V2566 VanDerWaalsContact CE-CG1 3.45Å; M2452-V2566 HydrophobicContact CE-CG2 4.45Å; M2452-V2566 HydrophobicContact SD-CB 4.12Å; M2452-V2566 HydrophobicContact SD-CG1 3.75Å; M2452-V2566 VanDerWaalsContact SD-CG1 3.57Å; M2452-V2566 HydrophobicContact SD-CG2 4.23Å; V2516-V2566 HydrophobicContact CG1-CG1 4.37Å; G2519-V2566 VanDerWaalsContact C-CG2 3.45Å; G2519-V2566 WeakPolarHBondContact O-CG2 3.4Å; L2520-V2566 HydrophobicContact CD2-CG1 4.19Å; L2520-V2566 HydrophobicContact CG-CG1 4.44Å; T2562-V2566 WeakPolarHBondContact O-CG2 3.29Å; T2562-V2566 PolarHBondContact O-N 3.17Å; A2563-V2566 PolarHBondContact O-N 3.15Å; V2564-V2566 VanDerWaalsContact C-N 3.33Å; V2564-V2566 PolarHBondContact O-N 3.39Å; V2566-E2568 VanDerWaalsContact C-N 3.29Å; V2566-E2568 PolarHBondContact O-N 3.37Å; V2566-T2569 WeakPolarHBondContact CA-OG1 3.41Å; V2566-T2569 PolarHBondContact O-N 3.26Å; V2566-T2569 VanDerWaalsContact O-N 3.12Å; V2566-T2569 PolarHBondContact O-OG1 3.02Å; V2566-T2569 VanDerWaalsContact O-OG1 3.13Å; V2566-I2570 HydrophobicContact CG1-CD1 4.09Å; V2566-I2570 HydrophobicContact CG1-CG1 4.45Å; V2566-I2570 WeakPolarHBondContact O-CB 3.28Å; V2566-I2570 VanDerWaalsContact O-CG1 3.27Å; V2566-I2570 WeakPolarHBondContact O-CG1 3.38Å; V2566-I2570 PolarHBondContact O-N 3.32Å |
| 2567 | I | 90.6 | Very high | 88.3 | Confident | 71.5 Ų | 71.5 | 43.9 Ų | 43.9 | 37% | 0.367 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 175.2 | -66.6 | 165.8 | 0 | 0 | 0 | 111.1 | M2452 A2563 V2564 Q2565 I2570 S2571 | M2452-I2567 HydrophobicContact CE-CD1 4.04Å; M2452-I2567 HydrophobicContact CE-CG1 3.77Å; M2452-I2567 VanDerWaalsContact CE-CG1 3.45Å; M2452-I2567 HydrophobicContact SD-CD1 4.31Å; M2452-I2567 HydrophobicContact SD-CG1 4.07Å; A2563-I2567 WeakPolarHBondContact O-CG1 3.42Å; A2563-I2567 PolarHBondContact O-N 3.22Å; A2563-I2567 VanDerWaalsContact O-N 3.1Å; V2564-I2567 WeakPolarHBondContact O-CB 3.48Å; V2564-I2567 PolarHBondContact O-N 3.2Å; V2564-I2567 VanDerWaalsContact O-N 3.16Å; Q2565-I2567 VanDerWaalsContact C-N 3.33Å; Q2565-I2567 PolarHBondContact O-N 3.45Å; I2567-I2570 PolarHBondContact O-N 3.12Å; I2567-S2571 WeakPolarHBondContact O-CB 3.21Å; I2567-S2571 PolarHBondContact O-N 3.12Å; I2567-S2571 PolarHBondContact O-OG 3.37Å |
| 2568 | E | 89 | Confident | 88.2 | Confident | 119.5 Ų | 119.5 | 43.5 Ų | 43.5 | 56% | 0.558 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.7 | -42.9 | 173.4 | -152.2 | 176.9 | -157 | 0 | 0 | 112 | V2564 Q2565 V2566 I2570 S2571 G2572 | V2564-E2568 PolarHBondContact O-N 3.11Å; Q2565-E2568 PolarHBondContact NE2-OE2 2.96Å; Q2565-E2568 WeakPolarHBondContact O-CB 3.41Å; Q2565-E2568 PolarHBondContact O-N 3.22Å; V2566-E2568 VanDerWaalsContact C-N 3.29Å; V2566-E2568 PolarHBondContact O-N 3.37Å; E2568-I2570 VanDerWaalsContact C-N 3.34Å; E2568-I2570 PolarHBondContact O-N 3.19Å; E2568-S2571 CarbonylContact O-C 3.58Å; E2568-S2571 WeakPolarHBondContact O-CA 3.39Å; E2568-S2571 WeakPolarHBondContact O-CB 3.35Å; E2568-S2571 PolarHBondContact O-N 3.32Å; E2568-S2571 VanDerWaalsContact O-N 3.13Å; E2568-G2572 PolarHBondContact O-N 3.14Å |
| 2569 | T | 88.6 | Confident | 88.2 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 175.7 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | D2515 Q2565 V2566 S2571 G2572 L2573 | D2515-T2569 HydrophobicContact CB-CG2 4.28Å; Q2565-T2569 WeakPolarHBondContact O-CG2 3.45Å; Q2565-T2569 PolarHBondContact O-N 3.38Å; V2566-T2569 WeakPolarHBondContact CA-OG1 3.41Å; V2566-T2569 PolarHBondContact O-N 3.26Å; V2566-T2569 VanDerWaalsContact O-N 3.12Å; V2566-T2569 PolarHBondContact O-OG1 3.02Å; V2566-T2569 VanDerWaalsContact O-OG1 3.13Å; T2569-S2571 VanDerWaalsContact C-N 3.32Å; T2569-S2571 PolarHBondContact O-N 3.44Å; T2569-G2572 CarbonylContact O-C 3.49Å; T2569-G2572 WeakPolarHBondContact O-CA 3.41Å; T2569-G2572 PolarHBondContact O-N 3.12Å; T2569-G2572 VanDerWaalsContact O-N 3.11Å; T2569-L2573 PolarHBondContact O-N 3.19Å |
| 2570 | I | 91.1 | Very high | 87.8 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 171.8 | -70.6 | 170.1 | 0 | 0 | 0 | 110.2 | E2445 I2448 V2449 M2452 V2516 V2566 I2567 E2568 G2572 L2573 S2574 | E2445-I2570 HydrophobicContact CB-CG2 3.93Å; E2445-I2570 HydrophobicContact CG-CG2 3.93Å; I2448-I2570 HydrophobicContact CG2-CD1 4Å; V2449-I2570 HydrophobicContact CG2-CD1 3.76Å; M2452-I2570 HydrophobicContact CE-CD1 4.31Å; V2516-I2570 HydrophobicContact CB-CG1 4.48Å; V2516-I2570 HydrophobicContact CG1-CD1 4.41Å; V2516-I2570 HydrophobicContact CG1-CG1 3.82Å; V2516-I2570 HydrophobicContact CG2-CG1 3.85Å; V2566-I2570 HydrophobicContact CG1-CD1 4.09Å; V2566-I2570 HydrophobicContact CG1-CG1 4.45Å; V2566-I2570 WeakPolarHBondContact O-CB 3.28Å; V2566-I2570 VanDerWaalsContact O-CG1 3.27Å; V2566-I2570 WeakPolarHBondContact O-CG1 3.38Å; V2566-I2570 PolarHBondContact O-N 3.32Å; I2567-I2570 PolarHBondContact O-N 3.12Å; E2568-I2570 VanDerWaalsContact C-N 3.34Å; E2568-I2570 PolarHBondContact O-N 3.19Å; I2570-G2572 VanDerWaalsContact C-N 3.27Å; I2570-G2572 PolarHBondContact O-N 2.87Å; I2570-L2573 PolarHBondContact O-N 3.15Å; I2570-S2574 WeakPolarHBondContact O-CB 3.42Å; I2570-S2574 PolarHBondContact O-N 3.15Å |
| 2571 | S | 88.9 | Confident | 87.5 | Confident | 56.75 Ų | 56.75 | 42.3 Ų | 42.3 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.8 | -34.4 | 173.7 | -114.3 | 0 | 0 | 0 | 0 | 112.1 | I2567 E2568 T2569 N2575 | I2567-S2571 WeakPolarHBondContact O-CB 3.21Å; I2567-S2571 PolarHBondContact O-N 3.12Å; I2567-S2571 PolarHBondContact O-OG 3.37Å; E2568-S2571 CarbonylContact O-C 3.58Å; E2568-S2571 WeakPolarHBondContact O-CA 3.39Å; E2568-S2571 WeakPolarHBondContact O-CB 3.35Å; E2568-S2571 PolarHBondContact O-N 3.32Å; E2568-S2571 VanDerWaalsContact O-N 3.13Å; T2569-S2571 VanDerWaalsContact C-N 3.32Å; T2569-S2571 PolarHBondContact O-N 3.44Å; S2571-N2575 WeakPolarHBondContact O-CB 3.47Å; S2571-N2575 PolarHBondContact O-N 3.14Å; S2571-N2575 VanDerWaalsContact O-N 3.07Å; S2571-N2575 PolarHBondContact O-ND2 3.11Å; S2571-N2575 VanDerWaalsContact O-ND2 3.09Å |
| 2572 | G | 87.6 | Confident | 87 | Confident | 31.5 Ų | 31.5 | 42.1 Ų | 42.1 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2568 T2569 I2570 N2575 A2576 | E2568-G2572 PolarHBondContact O-N 3.14Å; T2569-G2572 CarbonylContact O-C 3.49Å; T2569-G2572 WeakPolarHBondContact O-CA 3.41Å; T2569-G2572 PolarHBondContact O-N 3.12Å; T2569-G2572 VanDerWaalsContact O-N 3.11Å; I2570-G2572 VanDerWaalsContact C-N 3.27Å; I2570-G2572 PolarHBondContact O-N 2.87Å; G2572-N2575 CarbonylContact O-C 3.57Å; G2572-N2575 WeakPolarHBondContact O-CB 3.4Å; G2572-N2575 PolarHBondContact O-N 3.3Å; G2572-N2575 VanDerWaalsContact O-N 3.11Å; G2572-A2576 PolarHBondContact O-N 3.02Å |
| 2573 | L | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 176.2 | -178.8 | 59.6 | 0 | 0 | 0 | 111.9 | V2441 E2445 L2480 L2509 T2513 V2516 T2569 I2570 N2575 A2576 L2577 | V2441-L2573 HydrophobicContact CG1-CD2 4.12Å; V2441-L2573 HydrophobicContact CG1-CG 4.41Å; E2445-L2573 HydrophobicContact CG-CD2 4.25Å; E2445-L2573 WeakPolarHBondContact OE1-CB 3.43Å; E2445-L2573 WeakPolarHBondContact OE1-CD2 3.43Å; E2445-L2573 WeakPolarHBondContact OE1-CG 3.35Å; L2480-L2573 HydrophobicContact CD1-CD2 4.02Å; L2480-L2573 HydrophobicContact CD2-CD2 4.36Å; L2509-L2573 HydrophobicContact CD1-CD1 3.84Å; L2509-L2573 HydrophobicContact CG-CD1 4.36Å; T2513-L2573 WeakPolarHBondContact OG1-CD1 3.39Å; V2516-L2573 HydrophobicContact CG2-CB 4.34Å; V2516-L2573 HydrophobicContact CG2-CD2 4.26Å; T2569-L2573 PolarHBondContact O-N 3.19Å; I2570-L2573 PolarHBondContact O-N 3.15Å; L2573-N2575 VanDerWaalsContact C-N 3.26Å; L2573-N2575 PolarHBondContact O-N 3.12Å; L2573-N2575 VanDerWaalsContact O-N 3.16Å; L2573-A2576 WeakPolarHBondContact O-CB 3.17Å; L2573-A2576 PolarHBondContact O-N 3.15Å; L2573-A2576 VanDerWaalsContact O-N 3.13Å; L2573-L2577 HydrophobicContact CD1-CD1 4.24Å; L2573-L2577 HydrophobicContact CG-CD1 4.36Å; L2573-L2577 VanDerWaalsContact O-CB 3.25Å; L2573-L2577 WeakPolarHBondContact O-CB 3.38Å; L2573-L2577 PolarHBondContact O-N 3.3Å |
| 2574 | S | 89.7 | Confident | 85.2 | Confident | 28.5 Ų | 28.5 | 44.8 Ų | 44.8 | 20% | 0.199 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -31.3 | 173.5 | -105.9 | 0 | 0 | 0 | 0 | 113.1 | E2445 I2570 R2578 | E2445-S2574 PolarHBondContact OE1-N 3.25Å; E2445-S2574 PolarHBondContact OE2-OG 3.25Å; I2570-S2574 WeakPolarHBondContact O-CB 3.42Å; I2570-S2574 PolarHBondContact O-N 3.15Å; S2574-R2578 WeakPolarHBondContact O-CB 3.3Å; S2574-R2578 PolarHBondContact O-N 3.27Å; S2574-R2578 VanDerWaalsContact O-N 3.16Å; S2574-R2578 PolarHBondContact O-NH1 3.38Å; S2574-R2578 PolarHBondContact O-NH2 3.41Å |
| 2575 | N | 87.1 | Confident | 83.9 | Confident | 91.25 Ų | 91.25 | 44.2 Ų | 44.2 | 49% | 0.488 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -78.8 | -39.2 | 174.3 | -73.7 | -23.1 | 0 | 0 | 0 | 112.5 | S2571 G2572 L2573 L2577 R2578 S2579 | S2571-N2575 WeakPolarHBondContact O-CB 3.47Å; S2571-N2575 PolarHBondContact O-N 3.14Å; S2571-N2575 VanDerWaalsContact O-N 3.07Å; S2571-N2575 PolarHBondContact O-ND2 3.11Å; S2571-N2575 VanDerWaalsContact O-ND2 3.09Å; G2572-N2575 CarbonylContact O-C 3.57Å; G2572-N2575 WeakPolarHBondContact O-CB 3.4Å; G2572-N2575 PolarHBondContact O-N 3.3Å; G2572-N2575 VanDerWaalsContact O-N 3.11Å; L2573-N2575 VanDerWaalsContact C-N 3.26Å; L2573-N2575 PolarHBondContact O-N 3.12Å; L2573-N2575 VanDerWaalsContact O-N 3.16Å; N2575-L2577 VanDerWaalsContact C-N 3.33Å; N2575-L2577 PolarHBondContact O-N 2.93Å; N2575-R2578 PolarHBondContact O-N 2.88Å; N2575-R2578 PolarHBondContact OD1-NH1 3.2Å; N2575-S2579 WeakPolarHBondContact O-CB 3.39Å; N2575-S2579 PolarHBondContact O-N 3.35Å |
| 2576 | A | 84.6 | Confident | 81.9 | Confident | 1.5 Ų | 1.5 | 46.3 Ų | 46.3 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q2508 G2572 L2573 R2578 S2579 V2580 | Q2508-A2576 HydrophobicContact CG-CB 3.93Å; G2572-A2576 PolarHBondContact O-N 3.02Å; L2573-A2576 WeakPolarHBondContact O-CB 3.17Å; L2573-A2576 PolarHBondContact O-N 3.15Å; L2573-A2576 VanDerWaalsContact O-N 3.13Å; A2576-R2578 VanDerWaalsContact C-N 3.32Å; A2576-R2578 PolarHBondContact O-N 3.23Å; A2576-S2579 WeakPolarHBondContact O-CB 3.33Å; A2576-S2579 PolarHBondContact O-N 3.01Å; A2576-S2579 VanDerWaalsContact O-N 3.16Å; A2576-V2580 WeakPolarHBondContact O-CG2 3.43Å; A2576-V2580 PolarHBondContact O-N 3.09Å |
| 2577 | L | 86.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.2 | -135.1 | 103.6 | 0 | 0 | 0 | 112.3 | F2434 Q2438 V2441 M2442 L2509 L2573 N2575 S2581 | F2434-L2577 HydrophobicContact CZ-CD1 4.01Å; Q2438-L2577 HydrophobicContact CB-CD1 4.2Å; Q2438-L2577 HydrophobicContact CB-CD2 3.97Å; Q2438-L2577 HydrophobicContact CB-CG 4.27Å; Q2438-L2577 HydrophobicContact CG-CB 4.49Å; Q2438-L2577 HydrophobicContact CG-CD1 4.19Å; Q2438-L2577 HydrophobicContact CG-CD2 3.7Å; Q2438-L2577 HydrophobicContact CG-CG 3.79Å; V2441-L2577 HydrophobicContact CB-CD1 4.06Å; V2441-L2577 HydrophobicContact CB-CD2 4.13Å; V2441-L2577 HydrophobicContact CG1-CD1 3.57Å; V2441-L2577 VanDerWaalsContact CG1-CD1 3.46Å; V2441-L2577 HydrophobicContact CG1-CD2 3.83Å; V2441-L2577 HydrophobicContact CG2-CD1 4.43Å; M2442-L2577 HydrophobicContact CG-CD1 4.41Å; M2442-L2577 HydrophobicContact CG-CD2 4.15Å; L2509-L2577 HydrophobicContact CD1-CB 4.34Å; L2509-L2577 HydrophobicContact CD1-CD1 3.86Å; L2509-L2577 HydrophobicContact CD1-CD2 3.52Å; L2509-L2577 HydrophobicContact CD1-CG 3.7Å; L2509-L2577 HydrophobicContact CD2-CD2 4.45Å; L2573-L2577 HydrophobicContact CD1-CD1 4.24Å; L2573-L2577 HydrophobicContact CG-CD1 4.36Å; L2573-L2577 VanDerWaalsContact O-CB 3.25Å; L2573-L2577 WeakPolarHBondContact O-CB 3.38Å; L2573-L2577 PolarHBondContact O-N 3.3Å; N2575-L2577 VanDerWaalsContact C-N 3.33Å; N2575-L2577 PolarHBondContact O-N 2.93Å; L2577-S2581 VanDerWaalsContact O-CB 3.31Å; L2577-S2581 WeakPolarHBondContact O-CB 3.37Å; L2577-S2581 PolarHBondContact O-N 3.24Å |
| 2578 | R | 85.6 | Confident | 76.8 | Confident | 122.75 Ų | 122.75 | 56.7 Ų | 56.7 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 175.1 | -171.3 | 173.1 | -62.5 | 97.4 | 10 | 112.1 | S2574 N2575 A2576 V2580 S2581 D2582 | S2574-R2578 WeakPolarHBondContact O-CB 3.3Å; S2574-R2578 PolarHBondContact O-N 3.27Å; S2574-R2578 VanDerWaalsContact O-N 3.16Å; S2574-R2578 PolarHBondContact O-NH1 3.38Å; S2574-R2578 PolarHBondContact O-NH2 3.41Å; N2575-R2578 PolarHBondContact O-N 2.88Å; N2575-R2578 PolarHBondContact OD1-NH1 3.2Å; A2576-R2578 VanDerWaalsContact C-N 3.32Å; A2576-R2578 PolarHBondContact O-N 3.23Å; R2578-V2580 VanDerWaalsContact C-N 3.34Å; R2578-V2580 PolarHBondContact O-N 2.99Å; R2578-S2581 CarbonylContact O-C 3.55Å; R2578-S2581 WeakPolarHBondContact O-CA 3.3Å; R2578-S2581 WeakPolarHBondContact O-CB 3.32Å; R2578-S2581 PolarHBondContact O-N 3.21Å; R2578-S2581 VanDerWaalsContact O-N 3.12Å; R2578-D2582 WeakPolarHBondContact O-CB 3.44Å; R2578-D2582 VanDerWaalsContact O-CG 3.25Å; R2578-D2582 PolarHBondContact O-N 3.12Å |
| 2579 | S | 82.1 | Confident | 74 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 175.5 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | N2575 A2576 S2581 D2582 M2583 N2633 | N2575-S2579 WeakPolarHBondContact O-CB 3.39Å; N2575-S2579 PolarHBondContact O-N 3.35Å; A2576-S2579 WeakPolarHBondContact O-CB 3.33Å; A2576-S2579 PolarHBondContact O-N 3.01Å; A2576-S2579 VanDerWaalsContact O-N 3.16Å; S2579-S2581 VanDerWaalsContact C-N 3.31Å; S2579-S2581 PolarHBondContact O-N 3.11Å; S2579-D2582 PolarHBondContact O-N 3.42Å; S2579-M2583 VanDerWaalsContact C-SD 3.56Å; S2579-M2583 VanDerWaalsContact O-CG 3.23Å; S2579-M2583 WeakPolarHBondContact O-CG 3.38Å; S2579-M2583 PolarHBondContact O-N 3.41Å; S2579-M2583 VanDerWaalsContact O-N 3.12Å; S2579-N2633 PolarHBondContact OG-ND2 3.08Å; S2579-N2633 PolarHBondContact OG-OD1 3.13Å |
| 2580 | V | 80.2 | Confident | 71.4 | Confident | 0.25 Ų | 0.25 | 60.4 Ų | 60.4 | 0% | 0.002 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | F2434 T2491 A2576 R2578 M2583 F2584 | F2434-V2580 HydrophobicContact CE2-CB 4.4Å; F2434-V2580 HydrophobicContact CE2-CG1 3.65Å; F2434-V2580 HydrophobicContact CZ-CB 4.18Å; F2434-V2580 HydrophobicContact CZ-CG1 3.66Å; T2491-V2580 HydrophobicContact CG2-CG1 3.7Å; T2491-V2580 WeakPolarHBondContact OG1-CG1 3.31Å; A2576-V2580 WeakPolarHBondContact O-CG2 3.43Å; A2576-V2580 PolarHBondContact O-N 3.09Å; R2578-V2580 VanDerWaalsContact C-N 3.34Å; R2578-V2580 PolarHBondContact O-N 2.99Å; V2580-M2583 HydrophobicContact CG2-SD 4.4Å; V2580-M2583 WeakPolarHBondContact O-CB 3.34Å; V2580-M2583 PolarHBondContact O-N 2.96Å; V2580-F2584 HydrophobicContact CG1-CE1 4.25Å; V2580-F2584 HydrophobicContact CG1-CE2 3.81Å; V2580-F2584 HydrophobicContact CG1-CZ 3.66Å; V2580-F2584 WeakPolarHBondContact O-CD1 3.35Å; V2580-F2584 WeakPolarHBondContact O-CD2 3.45Å; V2580-F2584 WeakPolarHBondContact O-CE1 3.45Å; V2580-F2584 WeakPolarHBondContact O-CE2 3.33Å; V2580-F2584 WeakPolarHBondContact O-CZ 3.44Å |
| 2581 | S | 82.1 | Confident | 68.7 | Low | 20.25 Ų | 20.25 | 66 Ų | 66 | 14% | 0.142 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 113 | L2577 R2578 S2579 M2583 F2584 T2585 | L2577-S2581 VanDerWaalsContact O-CB 3.31Å; L2577-S2581 WeakPolarHBondContact O-CB 3.37Å; L2577-S2581 PolarHBondContact O-N 3.24Å; R2578-S2581 CarbonylContact O-C 3.55Å; R2578-S2581 WeakPolarHBondContact O-CA 3.3Å; R2578-S2581 WeakPolarHBondContact O-CB 3.32Å; R2578-S2581 PolarHBondContact O-N 3.21Å; R2578-S2581 VanDerWaalsContact O-N 3.12Å; S2579-S2581 VanDerWaalsContact C-N 3.31Å; S2579-S2581 PolarHBondContact O-N 3.11Å; S2581-M2583 VanDerWaalsContact C-N 3.29Å; S2581-M2583 PolarHBondContact O-N 3.2Å; S2581-F2584 VanDerWaalsContact CA-CD2 3.46Å; S2581-F2584 VanDerWaalsContact CA-CZ 3.5Å; S2581-F2584 WeakPolarHBondContact O-CB 3.22Å; S2581-F2584 VanDerWaalsContact O-CD2 3.25Å; S2581-F2584 WeakPolarHBondContact O-CD2 3.32Å; S2581-F2584 PolarHBondContact O-N 3.07Å; S2581-F2584 VanDerWaalsContact O-N 3.1Å; S2581-T2585 WeakPolarHBondContact O-CG2 3.34Å; S2581-T2585 PolarHBondContact O-N 2.79Å; S2581-T2585 PolarHBondContact O-OG1 3.32Å |
| 2582 | D | 78.4 | Confident | 66.2 | Low | 78.75 Ų | 78.75 | 69.7 Ų | 69.7 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.9 | -34.4 | -178.9 | -68.6 | -20.7 | 0 | 0 | 0 | 110.8 | R2578 S2579 F2584 T2585 V2586 | R2578-D2582 WeakPolarHBondContact O-CB 3.44Å; R2578-D2582 VanDerWaalsContact O-CG 3.25Å; R2578-D2582 PolarHBondContact O-N 3.12Å; S2579-D2582 PolarHBondContact O-N 3.42Å; D2582-F2584 VanDerWaalsContact C-N 3.26Å; D2582-F2584 PolarHBondContact O-N 3.2Å; D2582-F2584 VanDerWaalsContact O-N 3.11Å; D2582-T2585 WeakPolarHBondContact CA-OG1 3.35Å; D2582-T2585 PolarHBondContact O-N 3.11Å; D2582-T2585 VanDerWaalsContact O-N 3.16Å; D2582-T2585 PolarHBondContact O-OG1 3.12Å; D2582-V2586 WeakPolarHBondContact O-CG2 3.38Å; D2582-V2586 PolarHBondContact O-N 2.95Å |
| 2583 | M | 70.7 | Confident | 63.6 | Low | 39.75 Ų | 39.75 | 77.6 Ų | 77.6 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.2 | -23.5 | 177.9 | -74.8 | 159 | 52.3 | 0 | 0 | 114.4 | L2495 L2501 S2579 V2580 S2581 H2629 N2633 | L2495-M2583 HydrophobicContact CD1-CE 3.78Å; L2495-M2583 HydrophobicContact CD2-CE 3.86Å; L2501-M2583 HydrophobicContact CB-CE 4.36Å; L2501-M2583 HydrophobicContact CD1-CE 3.49Å; L2501-M2583 VanDerWaalsContact CD1-CE 3.49Å; L2501-M2583 HydrophobicContact CD1-SD 4.04Å; L2501-M2583 HydrophobicContact CD2-CE 3.77Å; L2501-M2583 HydrophobicContact CD2-CG 4.43Å; L2501-M2583 HydrophobicContact CD2-SD 4.26Å; L2501-M2583 HydrophobicContact CG-CE 3.49Å; L2501-M2583 HydrophobicContact CG-SD 4.34Å; L2501-M2583 WeakPolarHBondContact O-CE 3.48Å; S2579-M2583 VanDerWaalsContact C-SD 3.56Å; S2579-M2583 VanDerWaalsContact O-CG 3.23Å; S2579-M2583 WeakPolarHBondContact O-CG 3.38Å; S2579-M2583 PolarHBondContact O-N 3.41Å; S2579-M2583 VanDerWaalsContact O-N 3.12Å; V2580-M2583 HydrophobicContact CG2-SD 4.4Å; V2580-M2583 WeakPolarHBondContact O-CB 3.34Å; V2580-M2583 PolarHBondContact O-N 2.96Å; S2581-M2583 VanDerWaalsContact C-N 3.29Å; S2581-M2583 PolarHBondContact O-N 3.2Å; M2583-H2629 HydrophobicContact CG-CB 4.06Å; M2583-N2633 PolarHBondContact SD-ND2 3.26Å |
| 2584 | F | 68 | Low | 60.8 | Low | 37 Ų | 37 | 84.8 Ų | 84.8 | 16% | 0.162 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -104.2 | -9.3 | 175.7 | 39.2 | -94.4 | 0 | 0 | 0 | 114.8 | Q2431 F2434 T2491 L2494 L2495 V2580 S2581 D2582 | Q2431-F2584 HydrophobicContact CG-CD2 4.36Å; Q2431-F2584 HydrophobicContact CG-CE2 4.05Å; F2434-F2584 HydrophobicContact CD1-CD2 4.41Å; F2434-F2584 AromaticContact CD1-CE1 3.77Å; F2434-F2584 HydrophobicContact CD1-CE1 3.88Å; F2434-F2584 AromaticContact CD1-CE2 3.72Å; F2434-F2584 HydrophobicContact CD1-CE2 4.06Å; F2434-F2584 AromaticContact CD1-CZ 3.51Å; F2434-F2584 HydrophobicContact CD1-CZ 3.75Å; F2434-F2584 VanDerWaalsContact CD1-CZ 3.42Å; F2434-F2584 HydrophobicContact CD2-CE1 4.38Å; F2434-F2584 HydrophobicContact CD2-CE2 4.36Å; F2434-F2584 HydrophobicContact CD2-CZ 4.41Å; F2434-F2584 HydrophobicContact CE1-CD2 4.38Å; F2434-F2584 AromaticContact CE1-CE1 3.81Å; F2434-F2584 HydrophobicContact CE1-CE1 3.88Å; F2434-F2584 AromaticContact CE1-CE2 3.6Å; F2434-F2584 HydrophobicContact CE1-CE2 3.6Å; F2434-F2584 AromaticContact CE1-CZ 3.71Å; F2434-F2584 HydrophobicContact CE1-CZ 3.91Å; F2434-F2584 HydrophobicContact CE2-CE1 4.38Å; F2434-F2584 HydrophobicContact CE2-CE2 4.25Å; F2434-F2584 HydrophobicContact CE2-CZ 4.41Å; F2434-F2584 HydrophobicContact CG-CE1 4.21Å; F2434-F2584 HydrophobicContact CG-CE2 4.11Å; F2434-F2584 AromaticContact CG-CZ 3.97Å; F2434-F2584 HydrophobicContact CG-CZ 4.21Å; F2434-F2584 HydrophobicContact CZ-CE1 4.22Å; F2434-F2584 AromaticContact CZ-CE2 3.88Å; F2434-F2584 HydrophobicContact CZ-CE2 3.88Å; F2434-F2584 HydrophobicContact CZ-CZ 4.36Å; T2491-F2584 HydrophobicContact CG2-CZ 4.46Å; L2494-F2584 HydrophobicContact CB-CD1 4.38Å; L2494-F2584 HydrophobicContact CB-CE1 3.71Å; L2494-F2584 HydrophobicContact CB-CZ 4.4Å; L2494-F2584 HydrophobicContact CD1-CD1 4.11Å; L2494-F2584 HydrophobicContact CD1-CE1 3.99Å; L2494-F2584 HydrophobicContact CD1-CG 4.43Å; L2494-F2584 HydrophobicContact CD1-CZ 4.25Å; L2494-F2584 HydrophobicContact CG-CE1 4.42Å; L2495-F2584 HydrophobicContact CD1-CD1 4.32Å; L2495-F2584 HydrophobicContact CD1-CE1 3.42Å; L2495-F2584 VanDerWaalsContact CD1-CE1 3.42Å; L2495-F2584 HydrophobicContact CD1-CZ 3.96Å; L2495-F2584 HydrophobicContact CD2-CB 4.29Å; L2495-F2584 HydrophobicContact CG-CD1 4.41Å; L2495-F2584 HydrophobicContact CG-CE1 3.85Å; V2580-F2584 HydrophobicContact CG1-CE1 4.25Å; V2580-F2584 HydrophobicContact CG1-CE2 3.81Å; V2580-F2584 HydrophobicContact CG1-CZ 3.66Å; V2580-F2584 WeakPolarHBondContact O-CD1 3.35Å; V2580-F2584 WeakPolarHBondContact O-CD2 3.45Å; V2580-F2584 WeakPolarHBondContact O-CE1 3.45Å; V2580-F2584 WeakPolarHBondContact O-CE2 3.33Å; V2580-F2584 WeakPolarHBondContact O-CZ 3.44Å; S2581-F2584 VanDerWaalsContact CA-CD2 3.46Å; S2581-F2584 VanDerWaalsContact CA-CZ 3.5Å; S2581-F2584 WeakPolarHBondContact O-CB 3.22Å; S2581-F2584 VanDerWaalsContact O-CD2 3.25Å; S2581-F2584 WeakPolarHBondContact O-CD2 3.32Å; S2581-F2584 PolarHBondContact O-N 3.07Å; S2581-F2584 VanDerWaalsContact O-N 3.1Å; D2582-F2584 VanDerWaalsContact C-N 3.26Å; D2582-F2584 PolarHBondContact O-N 3.2Å; D2582-F2584 VanDerWaalsContact O-N 3.11Å |
| 2585 | T | 61.7 | Low | 58.2 | Low | 79.5 Ų | 79.5 | 91.7 Ų | 91.7 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -86 | -17.2 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | S2581 D2582 A2587 | S2581-T2585 WeakPolarHBondContact O-CG2 3.34Å; S2581-T2585 PolarHBondContact O-N 2.79Å; S2581-T2585 PolarHBondContact O-OG1 3.32Å; D2582-T2585 WeakPolarHBondContact CA-OG1 3.35Å; D2582-T2585 PolarHBondContact O-N 3.11Å; D2582-T2585 VanDerWaalsContact O-N 3.16Å; D2582-T2585 PolarHBondContact O-OG1 3.12Å; T2585-A2587 VanDerWaalsContact C-N 3.28Å; T2585-A2587 PolarHBondContact O-N 3.23Å; T2585-A2587 VanDerWaalsContact O-N 3.16Å |
| 2586 | V | 47.4 | Very low | 55.8 | Low | 114 Ų | 114 | 94.8 Ų | 94.8 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | trans | -81 | 2.3 | -173.9 | 177.6 | 0 | 0 | 0 | 0 | 114.1 | D2582 K2588 | D2582-V2586 WeakPolarHBondContact O-CG2 3.38Å; D2582-V2586 PolarHBondContact O-N 2.95Å; V2586-K2588 PolarHBondContact O-N 3.24Å | ||
| 2587 | A | 39.1 | Very low | 54 | Low | 96 Ų | 96 | 100.2 Ų | 100.2 | 79% | 0.793 | 56% | 0.555 | S | S | * | * | trans | -83.1 | 45.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T2585 | T2585-A2587 VanDerWaalsContact C-N 3.28Å; T2585-A2587 PolarHBondContact O-N 3.23Å; T2585-A2587 VanDerWaalsContact O-N 3.16Å | ||
| 2588 | K | 33.2 | Very low | 51.7 | Low | 196.25 Ų | 196.25 | 105.8 Ų | 105.8 | 85% | 0.853 | 59% | 0.591 | S | S | * | * | trans | -124.3 | 113.6 | 170.4 | -133.3 | 174 | -174.2 | 177 | 0 | 110.8 | V2586 | V2586-K2588 PolarHBondContact O-N 3.24Š| ||
| 2589 | S | 29.9 | Very low | 49.3 | Very low | 94.75 Ų | 94.75 | 107.6 Ų | 107.6 | 66% | 0.663 | 61% | 0.609 | S | S | * | * | trans | -62.4 | 148.6 | -177.1 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | T2591 | S2589-T2591 PolarHBondContact O-N 3.21Š| ||
| 2590 | P | 33.2 | Very low | 47.1 | Very low | 128.75 Ų | 128.75 | 111 Ų | 111 | 84% | 0.836 | 63% | 0.632 | S | S | * | * | trans | -80.4 | 112.2 | 175.6 | 31.7 | -30.8 | 0 | 0 | 0 | 110.4 | V2592 | P2590-V2592 PolarHBondContact O-N 3.47Š| ||
| 2591 | T | 35 | Very low | 45.3 | Very low | 130 Ų | 130 | 116.8 Ų | 116.8 | 80% | 0.798 | 67% | 0.67 | S | S | * | * | trans | -102.6 | 127.8 | 167.3 | 32.1 | 0 | 0 | 0 | 0 | 110.8 | S2589 | S2589-T2591 PolarHBondContact O-N 3.21Š| ||
| 2592 | V | 36 | Very low | 43.2 | Very low | 134.75 Ų | 134.75 | 122.2 Ų | 122.2 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | trans | -37.8 | 133.1 | 170.2 | -179.2 | 0 | 0 | 0 | 0 | 113.8 | P2590 D2594 | P2590-V2592 PolarHBondContact O-N 3.47Å; V2592-D2594 PolarHBondContact O-N 3.11Å; V2592-D2594 VanDerWaalsContact O-N 3.16Å | ||
| 2593 | K | 33.7 | Very low | 41.4 | Very low | 197.25 Ų | 197.25 | 123.7 Ų | 123.7 | 86% | 0.858 | 72% | 0.716 | S | S | * | * | trans | -59 | 128.7 | 156.9 | -73 | 174 | -180 | -179.1 | 0 | 112.8 | ||||
| 2594 | D | 32.6 | Very low | 40 | Very low | 151.25 Ų | 151.25 | 127.7 Ų | 127.7 | 81% | 0.809 | 75% | 0.745 | S | S | * | * | trans | -142.3 | 159 | 147.5 | -115.3 | -35.1 | 0 | 0 | 0 | 113.1 | V2592 | V2592-D2594 PolarHBondContact O-N 3.11Å; V2592-D2594 VanDerWaalsContact O-N 3.16Å | ||
| 2595 | E | 34.7 | Very low | 38.4 | Very low | 172.5 Ų | 172.5 | 130.5 Ų | 130.5 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -11.8 | 128.4 | 178.2 | -65.3 | -174.6 | 152.8 | 0 | 0 | 119.4 | ||||
| 2596 | N | 38.1 | Very low | 37.2 | Very low | 156.5 Ų | 156.5 | 133.1 Ų | 133.1 | 84% | 0.837 | 79% | 0.79 | S | S | * | * | trans | 55.8 | 132.8 | 149.5 | -71.3 | -37.1 | 0 | 0 | 0 | 122.3 | ||||
| 2597 | P | 45.1 | Very low | 36.7 | Very low | 115.5 Ų | 115.5 | 133 Ų | 133 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | trans | -113.3 | 168.4 | 178.4 | 38.4 | -28.8 | 0 | 0 | 0 | 114.7 | ||||
| 2598 | P | 40 | Very low | 36.4 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -121.4 | 151.2 | 137.7 | 34.9 | -23.5 | 0 | 0 | 0 | 116.4 | ||||
| 2599 | I | 33.8 | Very low | 36.3 | Very low | 160.5 Ų | 160.5 | 135.1 Ų | 135.1 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | -8.3 | 121.9 | 162.5 | -59.9 | 163.3 | 0 | 0 | 0 | 117.2 | ||||
| 2600 | S | 36.7 | Very low | 36.4 | Very low | 106.75 Ų | 106.75 | 139.4 Ų | 139.4 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | 121.9 | 148.5 | 139.1 | -98.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2601 | P | 41.2 | Very low | 36.3 | Very low | 122.667 Ų | 122.667 | 139.1 Ų | 139.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -112.8 | 150.3 | -171.7 | 36.8 | -29.3 | 0 | 0 | 0 | 116 | ||||
| 2602 | V | 38.3 | Very low | 35.9 | Very low | 132.333 Ų | 132.333 | 137.9 Ų | 137.9 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -94.6 | 157.3 | 168.9 | -161.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2603 | P | 41.9 | Very low | 35.6 | Very low | 111.333 Ų | 111.333 | 137.8 Ų | 137.8 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 174.6 | -176.8 | 8.8 | 6.2 | 0 | 0 | 0 | 111.5 | A2605 | P2603-A2605 PolarHBondContact O-N 2.85Š|
| 2604 | P | 40.6 | Very low | 35.3 | Very low | 123.667 Ų | 123.667 | 138.4 Ų | 138.4 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 144.6 | -139.7 | 34.3 | -31.8 | 0 | 0 | 0 | 112.2 | V2606 | P2604-V2606 PolarHBondContact O-N 2.87Š|
| 2605 | A | 35.3 | Very low | 35.2 | Very low | 94.6667 Ų | 94.6667 | 136.6 Ų | 136.6 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 145.4 | 160 | 0 | 0 | 0 | 0 | 0 | 108.2 | P2603 | P2603-A2605 PolarHBondContact O-N 2.85Š|
| 2606 | V | 36.2 | Very low | 34.8 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 134 | 165.4 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | P2604 L2608 | P2604-V2606 PolarHBondContact O-N 2.87Å; V2606-L2608 PolarHBondContact O-N 3.34Å |
| 2607 | P | 36.7 | Very low | 34.3 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 136.9 | -169.9 | 26.8 | -20.4 | 0 | 0 | 0 | 114.1 | K2609 | P2607-K2609 PolarHBondContact O-N 3.27Å; P2607-K2609 VanDerWaalsContact O-N 3.11Å |
| 2608 | L | 33.1 | Very low | 33.6 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | trans | -27.5 | 119.6 | 160.1 | -80.7 | 161.1 | 0 | 0 | 0 | 114.9 | E2439 V2606 K2610 | E2439-L2608 HydrophobicContact CG-CD2 4.24Å; V2606-L2608 PolarHBondContact O-N 3.34Å; L2608-K2610 HydrophobicContact CD2-CG 4.17Å; L2608-K2610 PolarHBondContact O-N 3.24Å; L2608-K2610 VanDerWaalsContact O-N 3.13Å | ||
| 2609 | K | 30.6 | Very low | 32.9 | Very low | 201.333 Ų | 201.333 | 139.1 Ų | 139.1 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -99.3 | 104 | 156.9 | -140.5 | 172.5 | -174.5 | 177.9 | 0 | 109 | P2607 V2611 | P2607-K2609 PolarHBondContact O-N 3.27Å; P2607-K2609 VanDerWaalsContact O-N 3.11Å; K2609-V2611 PolarHBondContact O-N 3.39Å | ||
| 2610 | K | 30.7 | Very low | 32.7 | Very low | 185.667 Ų | 185.667 | 136.8 Ų | 136.8 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -18.8 | 106.7 | 145.9 | -86.5 | -176.2 | 175.8 | 179.7 | 0 | 112.6 | L2608 S2612 | L2608-K2610 HydrophobicContact CD2-CG 4.17Å; L2608-K2610 PolarHBondContact O-N 3.24Å; L2608-K2610 VanDerWaalsContact O-N 3.13Å; K2610-S2612 PolarHBondContact O-N 2.95Å | ||
| 2611 | V | 31 | Very low | 32.5 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | -97.2 | 116.5 | 151.9 | 178.5 | 0 | 0 | 0 | 0 | 106.6 | K2609 L2613 | K2609-V2611 PolarHBondContact O-N 3.39Å; V2611-L2613 PolarHBondContact O-N 2.97Å | ||
| 2612 | S | 28 | Very low | 31.7 | Very low | 103.667 Ų | 103.667 | 136.6 Ų | 136.6 | 73% | 0.725 | 78% | 0.778 | S | S | * | * | trans | -94.5 | 106.8 | 175.8 | -71 | 0 | 0 | 0 | 0 | 111 | K2610 K2614 | K2610-S2612 PolarHBondContact O-N 2.95Å; S2612-K2614 PolarHBondContact O-N 3.22Å | ||
| 2613 | L | 30 | Very low | 31.4 | Very low | 133.667 Ų | 133.667 | 138 Ų | 138 | 70% | 0.7 | 78% | 0.78 | S | S | * | * | trans | -91.6 | 117.9 | 156 | -76 | 166.4 | 0 | 0 | 0 | 107.8 | V2611 V2615 | V2611-L2613 PolarHBondContact O-N 2.97Å; L2613-V2615 VanDerWaalsContact C-N 3.25Å; L2613-V2615 PolarHBondContact O-N 3.3Å | ||
| 2614 | K | 26.1 | Very low | 30.8 | Very low | 209 Ų | 209 | 139.9 Ų | 139.9 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -80.1 | 100 | 174.2 | -83.8 | -177.3 | 173.7 | 179.9 | 0 | 109.5 | S2612 | S2612-K2614 PolarHBondContact O-N 3.22Š| ||
| 2615 | V | 30.5 | Very low | 30.6 | Very low | 114.667 Ų | 114.667 | 142.9 Ų | 142.9 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -114 | 137.2 | 153.7 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | L2613 V2617 | L2613-V2615 VanDerWaalsContact C-N 3.25Å; L2613-V2615 PolarHBondContact O-N 3.3Å; V2615-V2617 PolarHBondContact O-N 3.23Å | ||
| 2616 | S | 26.5 | Very low | 30.5 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -79.1 | 103.6 | -172.3 | -167.8 | 0 | 0 | 0 | 0 | 111.2 | Q2618 | S2616-Q2618 PolarHBondContact O-N 3.21Š| ||
| 2617 | V | 28.1 | Very low | 30.9 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | -69.4 | 116.7 | 166.4 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | V2615 K2619 | V2615-V2617 PolarHBondContact O-N 3.23Å; V2617-K2619 PolarHBondContact O-N 3.11Å | ||
| 2618 | Q | 30.1 | Very low | 31.8 | Very low | 177.333 Ų | 177.333 | 146.8 Ų | 146.8 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 129.4 | 166.6 | -80.3 | -172.2 | -23.6 | 0 | 0 | 109 | S2616 S2620 | S2616-Q2618 PolarHBondContact O-N 3.21Å; Q2618-S2620 PolarHBondContact O-N 2.93Å; Q2618-S2620 VanDerWaalsContact O-N 3.07Å | ||
| 2619 | K | 25.7 | Very low | 33.1 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -93.2 | 97.8 | -175.6 | -173 | -178.8 | -176.2 | -178.6 | 0 | 109.1 | V2617 T2621 | V2617-K2619 PolarHBondContact O-N 3.11Å; K2619-T2621 PolarHBondContact O-N 3.08Å | ||
| 2620 | S | 30.2 | Very low | 34.8 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -88.7 | 111.5 | 170.3 | 0.4 | 0 | 0 | 0 | 0 | 109 | Q2618 | Q2618-S2620 PolarHBondContact O-N 2.93Å; Q2618-S2620 VanDerWaalsContact O-N 3.07Å | ||
| 2621 | T | 30.7 | Very low | 36.7 | Very low | 116.667 Ų | 116.667 | 132.7 Ų | 132.7 | 72% | 0.716 | 71% | 0.714 | S | S | * | * | trans | -29.3 | 124.5 | 154.5 | 44.7 | 0 | 0 | 0 | 0 | 113.3 | K2619 L2623 | K2619-T2621 PolarHBondContact O-N 3.08Å; T2621-L2623 PolarHBondContact O-N 2.88Å | ||
| 2622 | S | 25.6 | Very low | 38.8 | Very low | 109.333 Ų | 109.333 | 129.7 Ų | 129.7 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | -26.5 | 119.5 | 157.7 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2623 | L | 31.7 | Very low | 41 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | trans | -126.1 | 119.5 | 149.7 | -115 | 84.7 | 0 | 0 | 0 | 109.3 | T2621 K2625 | T2621-L2623 PolarHBondContact O-N 2.88Å; L2623-K2625 PolarHBondContact O-N 3.46Å | ||
| 2624 | D | 29.4 | Very low | 43.5 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 81% | 0.807 | 65% | 0.645 | S | S | * | * | trans | -69.5 | 133.3 | 171.7 | -69.6 | -66.6 | 0 | 0 | 0 | 111.6 | ||||
| 2625 | K | 35.6 | Very low | 46.3 | Very low | 185 Ų | 185 | 112.3 Ų | 112.3 | 80% | 0.804 | 61% | 0.608 | S | S | * | * | trans | 168.6 | 119.9 | 156.6 | -86.4 | 167.5 | -173 | 177.6 | 0 | 112.2 | L2623 T2627 | L2623-K2625 PolarHBondContact O-N 3.46Å; K2625-T2627 PolarHBondContact O-N 3.21Å; K2625-T2627 PolarHBondContact O-OG1 2.88Å | ||
| 2626 | K | 34.7 | Very low | 48.7 | Very low | 218 Ų | 218 | 110.7 Ų | 110.7 | 95% | 0.948 | 60% | 0.598 | S | S | * | * | trans | -16.7 | 88.7 | 157.2 | -96.8 | -179.4 | 176.7 | -175.6 | 0 | 112.6 | ||||
| 2627 | T | 43 | Very low | 51.3 | Low | 104.333 Ų | 104.333 | 107 Ų | 107 | 64% | 0.64 | 57% | 0.573 | S | S | * | * | trans | -121.4 | 143.7 | 170.1 | 4.1 | 0 | 0 | 0 | 0 | 108.1 | K2625 | K2625-T2627 PolarHBondContact O-N 3.21Å; K2625-T2627 PolarHBondContact O-OG1 2.88Å | ||
| 2628 | D | 57.3 | Low | 54.2 | Low | 100.333 Ų | 100.333 | 100.8 Ų | 100.8 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | trans | -72.1 | 137.2 | -171.8 | -129 | -40.4 | 0 | 0 | 0 | 111.3 | T2630 E2631 S2632 | D2628-T2630 VanDerWaalsContact CG-OG1 3.26Å; D2628-T2630 PolarHBondContact O-N 3.06Å; D2628-T2630 VanDerWaalsContact O-N 3.12Å; D2628-T2630 WeakPolarHBondContact OD1-CB 3.33Å; D2628-T2630 PolarHBondContact OD1-N 2.71Å; D2628-T2630 PolarHBondContact OD1-OG1 2.74Å; D2628-E2631 HydrophobicContact CB-CB 4.46Å; D2628-E2631 HydrophobicContact CB-CG 4.12Å; D2628-E2631 PolarHBondContact N-OE2 2.97Å; D2628-E2631 WeakPolarHBondContact O-CB 3.3Å; D2628-E2631 PolarHBondContact O-N 3.2Å; D2628-E2631 VanDerWaalsContact O-N 3.07Å; D2628-S2632 PolarHBondContact O-N 3.27Å; D2628-S2632 VanDerWaalsContact O-N 3.15Å | ||
| 2629 | H | 60.7 | Low | 56.9 | Low | 115.333 Ų | 115.333 | 97.6 Ų | 97.6 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -27.3 | -179.1 | -75.1 | -77.7 | 0 | 0 | 0 | 112.5 | L2501 M2583 S2632 N2633 | L2501-H2629 HydrophobicContact CD1-CB 4.09Å; M2583-H2629 HydrophobicContact CG-CB 4.06Å; H2629-S2632 PolarHBondContact O-N 3.28Å; H2629-N2633 VanDerWaalsContact O-CG 3.26Å; H2629-N2633 PolarHBondContact O-N 3Å; H2629-N2633 VanDerWaalsContact O-N 3.12Å |
| 2630 | T | 65.3 | Low | 59.8 | Low | 46.3333 Ų | 46.3333 | 91.2 Ų | 91.2 | 28% | 0.284 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 174.5 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | L2501 D2628 S2632 N2633 V2634 | L2501-T2630 HydrophobicContact CB-CG2 3.88Å; L2501-T2630 HydrophobicContact CD1-CG2 3.52Å; L2501-T2630 VanDerWaalsContact CD1-CG2 3.43Å; L2501-T2630 HydrophobicContact CG-CG2 4.3Å; D2628-T2630 VanDerWaalsContact CG-OG1 3.26Å; D2628-T2630 PolarHBondContact O-N 3.06Å; D2628-T2630 VanDerWaalsContact O-N 3.12Å; D2628-T2630 WeakPolarHBondContact OD1-CB 3.33Å; D2628-T2630 PolarHBondContact OD1-N 2.71Å; D2628-T2630 PolarHBondContact OD1-OG1 2.74Å; T2630-S2632 VanDerWaalsContact C-N 3.31Å; T2630-S2632 PolarHBondContact O-N 3.35Å; T2630-N2633 PolarHBondContact O-N 3.07Å; T2630-V2634 WeakPolarHBondContact O-CG2 3.35Å; T2630-V2634 PolarHBondContact O-N 3.29Å; T2630-V2634 VanDerWaalsContact O-N 3.08Å |
| 2631 | E | 71.7 | Confident | 62.6 | Low | 64.3333 Ų | 64.3333 | 85.9 Ų | 85.9 | 30% | 0.301 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.2 | -64.7 | 174.5 | 156.4 | 0 | 0 | 111.1 | D2628 N2633 V2634 H2635 T2711 L2819 | D2628-E2631 HydrophobicContact CB-CB 4.46Å; D2628-E2631 HydrophobicContact CB-CG 4.12Å; D2628-E2631 PolarHBondContact N-OE2 2.97Å; D2628-E2631 WeakPolarHBondContact O-CB 3.3Å; D2628-E2631 PolarHBondContact O-N 3.2Å; D2628-E2631 VanDerWaalsContact O-N 3.07Å; E2631-N2633 PolarHBondContact O-N 3.07Å; E2631-V2634 PolarHBondContact O-N 2.99Å; E2631-H2635 VanDerWaalsContact O-CB 3.26Å; E2631-H2635 WeakPolarHBondContact O-CB 3.33Å; E2631-H2635 PolarHBondContact O-CD2 3.39Å; E2631-H2635 VanDerWaalsContact O-CD2 3.23Å; E2631-H2635 PolarHBondContact O-N 3.17Å; E2631-T2711 HydrophobicContact CG-CG2 3.79Å; E2631-L2819 HydrophobicContact CB-CD2 4.31Å; E2631-L2819 HydrophobicContact CB-CG 4.48Å; E2631-L2819 HydrophobicContact CG-CD1 4.49Å; E2631-L2819 HydrophobicContact CG-CG 4.46Å; E2631-L2819 WeakPolarHBondContact O-CD2 3.48Å |
| 2632 | S | 74.5 | Confident | 65.5 | Low | 61 Ų | 61 | 81.7 Ų | 81.7 | 43% | 0.427 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 178.4 | -165.5 | 0 | 0 | 0 | 0 | 113.1 | D2628 H2629 T2630 T2636 | D2628-S2632 PolarHBondContact O-N 3.27Å; D2628-S2632 VanDerWaalsContact O-N 3.15Å; H2629-S2632 PolarHBondContact O-N 3.28Å; T2630-S2632 VanDerWaalsContact C-N 3.31Å; T2630-S2632 PolarHBondContact O-N 3.35Å; S2632-T2636 WeakPolarHBondContact O-CB 3.41Å; S2632-T2636 PolarHBondContact O-N 3.03Å; S2632-T2636 VanDerWaalsContact O-N 3.08Å; S2632-T2636 PolarHBondContact O-OG1 3.31Å |
| 2633 | N | 74.5 | Confident | 68.5 | Low | 43.6667 Ų | 43.6667 | 80.2 Ų | 80.2 | 23% | 0.234 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.9 | -44 | 176.3 | -73.3 | -16.4 | 0 | 0 | 0 | 111.5 | E2504 Q2508 S2579 M2583 H2629 T2630 E2631 H2635 T2636 S2637 | E2504-N2633 HydrophobicContact CG-CB 4.08Å; Q2508-N2633 PolarHBondContact OE1-ND2 3.47Å; Q2508-N2633 PolarHBondContact OE1-OD1 2.93Å; S2579-N2633 PolarHBondContact OG-ND2 3.08Å; S2579-N2633 PolarHBondContact OG-OD1 3.13Å; M2583-N2633 PolarHBondContact SD-ND2 3.26Å; H2629-N2633 VanDerWaalsContact O-CG 3.26Å; H2629-N2633 PolarHBondContact O-N 3Å; H2629-N2633 VanDerWaalsContact O-N 3.12Å; T2630-N2633 PolarHBondContact O-N 3.07Å; E2631-N2633 PolarHBondContact O-N 3.07Å; N2633-H2635 PolarHBondContact O-N 3.42Å; N2633-T2636 WeakPolarHBondContact O-CB 3.45Å; N2633-T2636 PolarHBondContact O-N 3.13Å; N2633-T2636 VanDerWaalsContact O-N 3.1Å; N2633-S2637 PolarHBondContact O-N 3.22Å |
| 2634 | V | 82.8 | Confident | 71.1 | Confident | 7.66667 Ų | 7.66667 | 74.5 Ų | 74.5 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 177 | 177.5 | 0 | 0 | 0 | 0 | 111 | E2504 T2630 E2631 T2636 S2637 L2638 T2711 I2714 L2819 | E2504-V2634 HydrophobicContact CG-CG2 4.18Å; T2630-V2634 WeakPolarHBondContact O-CG2 3.35Å; T2630-V2634 PolarHBondContact O-N 3.29Å; T2630-V2634 VanDerWaalsContact O-N 3.08Å; E2631-V2634 PolarHBondContact O-N 2.99Å; V2634-T2636 VanDerWaalsContact C-N 3.27Å; V2634-T2636 PolarHBondContact O-N 3.27Å; V2634-S2637 WeakPolarHBondContact O-CB 3.4Å; V2634-S2637 PolarHBondContact O-N 3Å; V2634-S2637 VanDerWaalsContact O-N 3.14Å; V2634-L2638 HydrophobicContact CG1-CD1 4.06Å; V2634-L2638 HydrophobicContact CG1-CG 4.17Å; V2634-L2638 WeakPolarHBondContact O-CG 3.4Å; V2634-L2638 PolarHBondContact O-N 3.24Å; V2634-T2711 WeakPolarHBondContact CG2-O 3.45Å; V2634-I2714 HydrophobicContact CG1-CB 4.39Å; V2634-I2714 HydrophobicContact CG1-CG2 3.92Å; V2634-L2819 HydrophobicContact CB-CD2 4.1Å; V2634-L2819 HydrophobicContact CG1-CD1 4.43Å; V2634-L2819 HydrophobicContact CG1-CD2 3.99Å |
| 2635 | H | 84.2 | Confident | 74 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 13% | 0.134 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.9 | -39.5 | 172.9 | -119.4 | -86.4 | 0 | 0 | 0 | 112.6 | E2631 N2633 K2639 N2816 L2819 D2820 | E2631-H2635 VanDerWaalsContact O-CB 3.26Å; E2631-H2635 WeakPolarHBondContact O-CB 3.33Å; E2631-H2635 PolarHBondContact O-CD2 3.39Å; E2631-H2635 VanDerWaalsContact O-CD2 3.23Å; E2631-H2635 PolarHBondContact O-N 3.17Å; N2633-H2635 PolarHBondContact O-N 3.42Å; H2635-K2639 WeakPolarHBondContact CE1-CE 3.37Å; H2635-K2639 PolarHBondContact CE1-NZ 3.22Å; H2635-K2639 PolarHBondContact ND1-NZ 3.19Å; H2635-K2639 WeakPolarHBondContact O-CB 3.37Å; H2635-K2639 VanDerWaalsContact O-CD 3.3Å; H2635-K2639 WeakPolarHBondContact O-CD 3.13Å; H2635-K2639 VanDerWaalsContact O-CG 3.3Å; H2635-K2639 WeakPolarHBondContact O-CG 3.35Å; H2635-K2639 PolarHBondContact O-N 2.96Å; H2635-K2639 VanDerWaalsContact O-N 3.07Å; H2635-N2816 PolarHBondContact CD2-ND2 2.74Å; H2635-N2816 PolarHBondContact CD2-OD1 3.04Å; H2635-N2816 PolarHBondContact CE1-O 2.65Å; H2635-N2816 PolarHBondContact ND1-ND2 3.5Å; H2635-N2816 PolarHBondContact ND1-OD1 2.8Å; H2635-N2816 PolarHBondContact NE2-ND2 3.14Å; H2635-L2819 HydrophobicContact CB-CD2 4.21Å; H2635-D2820 IonicContact CE1-OD1 2.63Å; H2635-D2820 IonicContact CE1-OD2 3.42Å; H2635-D2820 PolarHBondContact CE1-OD2 2.89Å; H2635-D2820 IonicContact NE2-OD1 2.66Å; H2635-D2820 PolarHBondContact NE2-OD1 3.27Å; H2635-D2820 IonicContact NE2-OD2 3.73Å |
| 2636 | T | 80.2 | Confident | 76.6 | Confident | 80.6667 Ų | 80.6667 | 59.8 Ų | 59.8 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 177.7 | -57 | 0 | 0 | 0 | 0 | 111.2 | S2632 N2633 V2634 K2639 S2640 | S2632-T2636 WeakPolarHBondContact O-CB 3.41Å; S2632-T2636 PolarHBondContact O-N 3.03Å; S2632-T2636 VanDerWaalsContact O-N 3.08Å; S2632-T2636 PolarHBondContact O-OG1 3.31Å; N2633-T2636 WeakPolarHBondContact O-CB 3.45Å; N2633-T2636 PolarHBondContact O-N 3.13Å; N2633-T2636 VanDerWaalsContact O-N 3.1Å; V2634-T2636 VanDerWaalsContact C-N 3.27Å; V2634-T2636 PolarHBondContact O-N 3.27Å; T2636-K2639 PolarHBondContact O-N 3.22Å; T2636-S2640 PolarHBondContact O-N 3.27Å; T2636-S2640 VanDerWaalsContact O-N 3.08Å |
| 2637 | S | 81.3 | Confident | 79.1 | Confident | 34.3333 Ų | 34.3333 | 53.7 Ų | 53.7 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -50.8 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | N2633 V2634 K2639 S2640 I2641 | N2633-S2637 PolarHBondContact O-N 3.22Å; V2634-S2637 WeakPolarHBondContact O-CB 3.4Å; V2634-S2637 PolarHBondContact O-N 3Å; V2634-S2637 VanDerWaalsContact O-N 3.14Å; S2637-K2639 VanDerWaalsContact C-N 3.32Å; S2637-K2639 PolarHBondContact O-N 3.42Å; S2637-S2640 WeakPolarHBondContact O-CA 3.16Å; S2637-S2640 VanDerWaalsContact O-CB 3.32Å; S2637-S2640 WeakPolarHBondContact O-CB 3.4Å; S2637-S2640 PolarHBondContact O-N 3.16Å; S2637-S2640 VanDerWaalsContact O-N 3.08Å; S2637-I2641 WeakPolarHBondContact O-CG1 3.28Å; S2637-I2641 PolarHBondContact O-N 3.16Å |
| 2638 | L | 88.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -39 | 179 | -63.4 | 179.5 | 0 | 0 | 0 | 112 | V2634 S2640 I2641 I2642 I2714 V2812 M2815 N2816 | V2634-L2638 HydrophobicContact CG1-CD1 4.06Å; V2634-L2638 HydrophobicContact CG1-CG 4.17Å; V2634-L2638 WeakPolarHBondContact O-CG 3.4Å; V2634-L2638 PolarHBondContact O-N 3.24Å; L2638-S2640 PolarHBondContact O-N 3.29Å; L2638-I2641 HydrophobicContact CD2-CD1 4.33Å; L2638-I2641 PolarHBondContact O-N 3.09Å; L2638-I2642 WeakPolarHBondContact O-CD1 3.2Å; L2638-I2642 VanDerWaalsContact O-CG1 3.26Å; L2638-I2642 WeakPolarHBondContact O-CG1 3.38Å; L2638-I2642 PolarHBondContact O-N 2.94Å; L2638-I2714 HydrophobicContact CD1-CG2 3.96Å; L2638-V2812 HydrophobicContact CB-CG1 4.15Å; L2638-V2812 HydrophobicContact CD2-CG1 4Å; L2638-M2815 HydrophobicContact CD1-CB 4.35Å; L2638-M2815 HydrophobicContact CD2-CE 4.3Å; L2638-N2816 HydrophobicContact CB-CB 4.27Å; L2638-N2816 HydrophobicContact CD1-CB 4.05Å |
| 2639 | K | 88.2 | Confident | 82.7 | Confident | 110.333 Ų | 110.333 | 45.9 Ų | 45.9 | 48% | 0.48 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 173.2 | -76.9 | 170.7 | -177.6 | 169.8 | 0 | 112.9 | H2635 T2636 S2637 I2641 I2642 T2643 | H2635-K2639 WeakPolarHBondContact CE1-CE 3.37Å; H2635-K2639 PolarHBondContact CE1-NZ 3.22Å; H2635-K2639 PolarHBondContact ND1-NZ 3.19Å; H2635-K2639 WeakPolarHBondContact O-CB 3.37Å; H2635-K2639 VanDerWaalsContact O-CD 3.3Å; H2635-K2639 WeakPolarHBondContact O-CD 3.13Å; H2635-K2639 VanDerWaalsContact O-CG 3.3Å; H2635-K2639 WeakPolarHBondContact O-CG 3.35Å; H2635-K2639 PolarHBondContact O-N 2.96Å; H2635-K2639 VanDerWaalsContact O-N 3.07Å; T2636-K2639 PolarHBondContact O-N 3.22Å; S2637-K2639 VanDerWaalsContact C-N 3.32Å; S2637-K2639 PolarHBondContact O-N 3.42Å; K2639-I2641 VanDerWaalsContact C-N 3.33Å; K2639-I2642 PolarHBondContact O-N 2.87Å; K2639-T2643 PolarHBondContact O-N 3.22Å; K2639-T2643 VanDerWaalsContact O-N 3.16Å; K2639-T2643 PolarHBondContact O-OG1 3.08Å |
| 2640 | S | 85.4 | Confident | 83.9 | Confident | 62.3333 Ų | 62.3333 | 42 Ų | 42 | 44% | 0.436 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 172.5 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | T2636 S2637 L2638 I2642 T2643 I2644 | T2636-S2640 PolarHBondContact O-N 3.27Å; T2636-S2640 VanDerWaalsContact O-N 3.08Å; S2637-S2640 WeakPolarHBondContact O-CA 3.16Å; S2637-S2640 VanDerWaalsContact O-CB 3.32Å; S2637-S2640 WeakPolarHBondContact O-CB 3.4Å; S2637-S2640 PolarHBondContact O-N 3.16Å; S2637-S2640 VanDerWaalsContact O-N 3.08Å; L2638-S2640 PolarHBondContact O-N 3.29Å; S2640-I2642 VanDerWaalsContact C-N 3.35Å; S2640-I2642 PolarHBondContact O-N 3.19Å; S2640-T2643 WeakPolarHBondContact O-CA 3.49Å; S2640-T2643 WeakPolarHBondContact O-CB 3.41Å; S2640-T2643 PolarHBondContact O-N 3.17Å; S2640-T2643 VanDerWaalsContact O-N 3.15Å; S2640-I2644 WeakPolarHBondContact O-CG1 3.27Å; S2640-I2644 PolarHBondContact O-N 2.82Å |
| 2641 | I | 89.6 | Confident | 84.8 | Confident | 2.66667 Ų | 2.66667 | 44 Ų | 44 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.9 | -64.5 | 158.5 | 0 | 0 | 0 | 111.5 | S2637 L2638 K2639 T2643 I2644 L2645 G2718 R2722 V2812 | S2637-I2641 WeakPolarHBondContact O-CG1 3.28Å; S2637-I2641 PolarHBondContact O-N 3.16Å; L2638-I2641 HydrophobicContact CD2-CD1 4.33Å; L2638-I2641 PolarHBondContact O-N 3.09Å; K2639-I2641 VanDerWaalsContact C-N 3.33Å; I2641-T2643 VanDerWaalsContact C-N 3.31Å; I2641-T2643 PolarHBondContact O-N 3.31Å; I2641-I2644 PolarHBondContact O-N 2.94Å; I2641-L2645 HydrophobicContact CG2-CD1 3.9Å; I2641-L2645 HydrophobicContact CG2-CG 4.23Å; I2641-L2645 WeakPolarHBondContact O-CB 3.39Å; I2641-L2645 WeakPolarHBondContact O-CG 3.27Å; I2641-L2645 PolarHBondContact O-N 3.13Å; I2641-G2718 VanDerWaalsContact CD1-C 3.48Å; I2641-G2718 WeakPolarHBondContact CD1-O 3.46Å; I2641-R2722 HydrophobicContact CG1-CB 4.26Å; I2641-R2722 HydrophobicContact CG2-CB 4.3Å; I2641-V2812 HydrophobicContact CB-CG1 4.41Å; I2641-V2812 HydrophobicContact CG2-CG1 4.17Å; I2641-V2812 HydrophobicContact CG2-CG2 4.21Å |
| 2642 | I | 91 | Very high | 85.5 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -39.5 | 174.9 | -70.1 | 160.6 | 0 | 0 | 0 | 111.3 | L2638 K2639 S2640 G2646 K2809 V2812 E2813 | L2638-I2642 WeakPolarHBondContact O-CD1 3.2Å; L2638-I2642 VanDerWaalsContact O-CG1 3.26Å; L2638-I2642 WeakPolarHBondContact O-CG1 3.38Å; L2638-I2642 PolarHBondContact O-N 2.94Å; K2639-I2642 PolarHBondContact O-N 2.87Å; S2640-I2642 VanDerWaalsContact C-N 3.35Å; S2640-I2642 PolarHBondContact O-N 3.19Å; I2642-G2646 PolarHBondContact O-N 3.13Å; I2642-K2809 HydrophobicContact CG2-CG 4.24Å; I2642-V2812 HydrophobicContact CD1-CG1 4.11Å; I2642-V2812 HydrophobicContact CG1-CB 4.13Å; I2642-V2812 HydrophobicContact CG1-CG1 3.64Å; I2642-E2813 HydrophobicContact CD1-CB 4.46Å; I2642-E2813 HydrophobicContact CD1-CG 3.76Å; I2642-E2813 HydrophobicContact CG1-CG 4.05Å; I2642-E2813 HydrophobicContact CG2-CG 4.21Å |
| 2643 | T | 88.3 | Confident | 86 | Confident | 78.3333 Ų | 78.3333 | 42.8 Ų | 42.8 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.6 | -44.1 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | K2639 S2640 I2641 G2646 N2647 | K2639-T2643 PolarHBondContact O-N 3.22Å; K2639-T2643 VanDerWaalsContact O-N 3.16Å; K2639-T2643 PolarHBondContact O-OG1 3.08Å; S2640-T2643 WeakPolarHBondContact O-CA 3.49Å; S2640-T2643 WeakPolarHBondContact O-CB 3.41Å; S2640-T2643 PolarHBondContact O-N 3.17Å; S2640-T2643 VanDerWaalsContact O-N 3.15Å; I2641-T2643 VanDerWaalsContact C-N 3.31Å; I2641-T2643 PolarHBondContact O-N 3.31Å; T2643-G2646 PolarHBondContact O-N 3.23Å; T2643-N2647 PolarHBondContact O-N 3.05Å |
| 2644 | I | 86.9 | Confident | 86.4 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 176.9 | -65.8 | 167.6 | 0 | 0 | 0 | 110.8 | S2640 I2641 G2646 N2647 L2648 R2722 | S2640-I2644 WeakPolarHBondContact O-CG1 3.27Å; S2640-I2644 PolarHBondContact O-N 2.82Å; I2641-I2644 PolarHBondContact O-N 2.94Å; I2644-G2646 VanDerWaalsContact C-N 3.29Å; I2644-G2646 PolarHBondContact O-N 3.23Å; I2644-N2647 PolarHBondContact O-N 3.11Å; I2644-N2647 VanDerWaalsContact O-N 3.13Å; I2644-L2648 HydrophobicContact CG2-CD1 4.15Å; I2644-L2648 HydrophobicContact CG2-CG 4.41Å; I2644-L2648 WeakPolarHBondContact O-CG 3.45Å; I2644-L2648 PolarHBondContact O-N 3.01Å; I2644-R2722 HydrophobicContact CD1-CG 4.25Å; I2644-R2722 HydrophobicContact CG2-CG 4.4Å |
| 2645 | L | 91.2 | Very high | 86.6 | Confident | 0.666667 Ų | 0.666667 | 47.3 Ų | 47.3 | 0% | 0.003 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 176.5 | -67.5 | 171.7 | 0 | 0 | 0 | 111.7 | I2641 L2648 N2649 I2721 A2725 I2805 L2808 K2809 V2812 | I2641-L2645 HydrophobicContact CG2-CD1 3.9Å; I2641-L2645 HydrophobicContact CG2-CG 4.23Å; I2641-L2645 WeakPolarHBondContact O-CB 3.39Å; I2641-L2645 WeakPolarHBondContact O-CG 3.27Å; I2641-L2645 PolarHBondContact O-N 3.13Å; L2645-L2648 PolarHBondContact O-N 3.2Å; L2645-N2649 WeakPolarHBondContact O-CB 3.17Å; L2645-N2649 PolarHBondContact O-N 3.19Å; L2645-I2721 HydrophobicContact CD1-CG2 4.03Å; L2645-I2721 HydrophobicContact CD2-CG2 4.42Å; L2645-A2725 HydrophobicContact CD2-CB 3.44Å; L2645-A2725 VanDerWaalsContact CD2-CB 3.42Å; L2645-I2805 HydrophobicContact CB-CG2 4.29Å; L2645-I2805 HydrophobicContact CD2-CG2 4.19Å; L2645-I2805 VanDerWaalsContact O-CG2 3.24Å; L2645-I2805 WeakPolarHBondContact O-CG2 3.44Å; L2645-L2808 HydrophobicContact CD1-CB 4.3Å; L2645-L2808 HydrophobicContact CD2-CB 4.43Å; L2645-K2809 HydrophobicContact CB-CB 4.12Å; L2645-K2809 HydrophobicContact CB-CG 4.39Å; L2645-K2809 HydrophobicContact CD1-CB 4.36Å; L2645-V2812 HydrophobicContact CD1-CB 4.45Å; L2645-V2812 HydrophobicContact CD1-CG2 3.95Å |
| 2646 | G | 89.9 | Confident | 86.5 | Confident | 25.6667 Ų | 25.6667 | 49 Ų | 49 | 27% | 0.265 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I2642 T2643 I2644 N2649 G2650 | I2642-G2646 PolarHBondContact O-N 3.13Å; T2643-G2646 PolarHBondContact O-N 3.23Å; I2644-G2646 VanDerWaalsContact C-N 3.29Å; I2644-G2646 PolarHBondContact O-N 3.23Å; G2646-N2649 PolarHBondContact O-N 3.22Å; G2646-G2650 PolarHBondContact O-N 3.25Å |
| 2647 | N | 86.3 | Confident | 86.5 | Confident | 91.6667 Ų | 91.6667 | 45.2 Ų | 45.2 | 49% | 0.49 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 177.4 | -71.8 | -14.8 | 0 | 0 | 0 | 112.4 | T2643 I2644 G2650 R2651 | T2643-N2647 PolarHBondContact O-N 3.05Å; I2644-N2647 PolarHBondContact O-N 3.11Å; I2644-N2647 VanDerWaalsContact O-N 3.13Å; N2647-G2650 CarbonylContact O-C 3.54Å; N2647-G2650 PolarHBondContact O-N 3.24Å; N2647-R2651 VanDerWaalsContact O-CG 3.31Å; N2647-R2651 WeakPolarHBondContact O-CG 3.32Å; N2647-R2651 PolarHBondContact O-N 3.04Å |
| 2648 | L | 87.3 | Confident | 86 | Confident | 8.66667 Ų | 8.66667 | 48.7 Ų | 48.7 | 5% | 0.045 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.4 | -67.9 | 175.4 | 0 | 0 | 0 | 111.6 | I2644 L2645 G2650 R2651 L2652 A2725 E2726 V2729 I2805 | I2644-L2648 HydrophobicContact CG2-CD1 4.15Å; I2644-L2648 HydrophobicContact CG2-CG 4.41Å; I2644-L2648 WeakPolarHBondContact O-CG 3.45Å; I2644-L2648 PolarHBondContact O-N 3.01Å; L2645-L2648 PolarHBondContact O-N 3.2Å; L2648-G2650 VanDerWaalsContact C-N 3.29Å; L2648-G2650 PolarHBondContact O-N 3.49Å; L2648-R2651 VanDerWaalsContact CD2-NH1 3.32Å; L2648-R2651 WeakPolarHBondContact O-CB 3.41Å; L2648-R2651 PolarHBondContact O-N 3.1Å; L2648-R2651 VanDerWaalsContact O-N 3.11Å; L2648-L2652 PolarHBondContact O-N 3.24Å; L2648-A2725 HydrophobicContact CD1-CB 3.94Å; L2648-E2726 HydrophobicContact CD1-CG 4.25Å; L2648-V2729 HydrophobicContact CB-CG2 4.42Å; L2648-V2729 HydrophobicContact CD2-CG2 4.22Å; L2648-I2805 HydrophobicContact CB-CD1 4.04Å; L2648-I2805 HydrophobicContact CB-CG2 4.27Å |
| 2649 | N | 89.8 | Confident | 84.9 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 17% | 0.171 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 174 | -165 | 19.9 | 0 | 0 | 0 | 111.1 | L2645 G2646 R2651 L2652 N2653 A2802 I2805 | L2645-N2649 WeakPolarHBondContact O-CB 3.17Å; L2645-N2649 PolarHBondContact O-N 3.19Å; G2646-N2649 PolarHBondContact O-N 3.22Å; N2649-R2651 VanDerWaalsContact C-N 3.26Å; N2649-R2651 PolarHBondContact O-N 3.06Å; N2649-L2652 PolarHBondContact O-N 2.98Å; N2649-N2653 PolarHBondContact O-N 3.19Å; N2649-N2653 VanDerWaalsContact O-N 3.08Å; N2649-N2653 PolarHBondContact O-ND2 3.28Å; N2649-N2653 PolarHBondContact OD1-ND2 3.16Å; N2649-N2653 VanDerWaalsContact OD1-ND2 3.08Å; N2649-A2802 PolarHBondContact OD1-O 2.99Å; N2649-I2805 HydrophobicContact CB-CB 4.47Å; N2649-I2805 HydrophobicContact CB-CG2 3.88Å |
| 2650 | G | 86 | Confident | 83.6 | Confident | 31.6667 Ų | 31.6667 | 51.2 Ų | 51.2 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.7 | -21 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G2646 N2647 L2648 K2654 | G2646-G2650 PolarHBondContact O-N 3.25Å; N2647-G2650 CarbonylContact O-C 3.54Å; N2647-G2650 PolarHBondContact O-N 3.24Å; L2648-G2650 VanDerWaalsContact C-N 3.29Å; L2648-G2650 PolarHBondContact O-N 3.49Å; G2650-K2654 VanDerWaalsContact O-CD 3.27Å; G2650-K2654 WeakPolarHBondContact O-CD 3.34Å; G2650-K2654 WeakPolarHBondContact O-CE 3.33Å; G2650-K2654 WeakPolarHBondContact O-CG 3.37Å |
| 2651 | R | 82.7 | Confident | 82.7 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -79.2 | -52.2 | 170.4 | -74.6 | 165 | 68.6 | -166.8 | 1.5 | 110.9 | N2647 L2648 N2649 N2653 K2654 W2655 D2668 | N2647-R2651 VanDerWaalsContact O-CG 3.31Å; N2647-R2651 WeakPolarHBondContact O-CG 3.32Å; N2647-R2651 PolarHBondContact O-N 3.04Å; L2648-R2651 VanDerWaalsContact CD2-NH1 3.32Å; L2648-R2651 WeakPolarHBondContact O-CB 3.41Å; L2648-R2651 PolarHBondContact O-N 3.1Å; L2648-R2651 VanDerWaalsContact O-N 3.11Å; N2649-R2651 VanDerWaalsContact C-N 3.26Å; N2649-R2651 PolarHBondContact O-N 3.06Å; R2651-N2653 VanDerWaalsContact C-N 3.34Å; R2651-N2653 PolarHBondContact O-N 3.24Å; R2651-K2654 WeakPolarHBondContact O-CB 3.35Å; R2651-K2654 PolarHBondContact O-N 3.36Å; R2651-K2654 VanDerWaalsContact O-N 3.12Å; R2651-W2655 VanDerWaalsContact O-CD1 3.29Å; R2651-W2655 PolarHBondContact O-N 2.95Å; R2651-D2668 IonicContact CZ-OD1 2.93Å; R2651-D2668 IonicContact NE-OD1 2.77Å; R2651-D2668 PolarHBondContact NE-OD1 3.19Å; R2651-D2668 IonicContact NE-OD2 3.42Å; R2651-D2668 IonicContact NH2-OD1 2.71Å; R2651-D2668 PolarHBondContact NH2-OD1 3.33Å |
| 2652 | L | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -41.1 | -179.7 | -72.3 | -178.6 | 0 | 0 | 0 | 113 | L2648 N2649 K2654 W2655 V2729 L2732 A2802 I2805 | L2648-L2652 PolarHBondContact O-N 3.24Å; N2649-L2652 PolarHBondContact O-N 2.98Å; L2652-K2654 PolarHBondContact O-N 3.1Å; L2652-K2654 VanDerWaalsContact O-N 3.12Å; L2652-W2655 HydrophobicContact CD2-CD2 4.05Å; L2652-W2655 HydrophobicContact CD2-CE3 3.81Å; L2652-W2655 HydrophobicContact CD2-CH2 3.93Å; L2652-W2655 HydrophobicContact CD2-CZ2 4.19Å; L2652-W2655 HydrophobicContact CD2-CZ3 3.76Å; L2652-W2655 WeakPolarHBondContact O-CB 3.34Å; L2652-W2655 PolarHBondContact O-N 3.34Å; L2652-V2729 HydrophobicContact CD1-CG2 4.17Å; L2652-V2729 HydrophobicContact CD2-CG1 4.26Å; L2652-V2729 HydrophobicContact CD2-CG2 4.3Å; L2652-V2729 HydrophobicContact CG-CG2 4.22Å; L2652-L2732 HydrophobicContact CD2-CD2 3.74Å; L2652-A2802 HydrophobicContact CB-CB 4.17Å; L2652-A2802 HydrophobicContact CD1-CB 4.35Å; L2652-I2805 HydrophobicContact CD1-CD1 3.57Å; L2652-I2805 VanDerWaalsContact CD1-CD1 3.46Å; L2652-I2805 HydrophobicContact CD1-CG1 4.21Å; L2652-I2805 HydrophobicContact CG-CD1 4.46Å |
| 2653 | N | 85.8 | Confident | 81.1 | Confident | 101.333 Ų | 101.333 | 57.7 Ų | 57.7 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -6.5 | 177.6 | -73.2 | -65.9 | 0 | 0 | 0 | 114.3 | N2649 R2651 | N2649-N2653 PolarHBondContact O-N 3.19Å; N2649-N2653 VanDerWaalsContact O-N 3.08Å; N2649-N2653 PolarHBondContact O-ND2 3.28Å; N2649-N2653 PolarHBondContact OD1-ND2 3.16Å; N2649-N2653 VanDerWaalsContact OD1-ND2 3.08Å; R2651-N2653 VanDerWaalsContact C-N 3.34Å; R2651-N2653 PolarHBondContact O-N 3.24Å |
| 2654 | K | 83.7 | Confident | 80.1 | Confident | 128.667 Ų | 128.667 | 55.7 Ų | 55.7 | 56% | 0.559 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -13.5 | 172.3 | -64.2 | 171.7 | -178.8 | 171.3 | 0 | 112.9 | G2650 R2651 L2652 P2665 D2666 | G2650-K2654 VanDerWaalsContact O-CD 3.27Å; G2650-K2654 WeakPolarHBondContact O-CD 3.34Å; G2650-K2654 WeakPolarHBondContact O-CE 3.33Å; G2650-K2654 WeakPolarHBondContact O-CG 3.37Å; R2651-K2654 WeakPolarHBondContact O-CB 3.35Å; R2651-K2654 PolarHBondContact O-N 3.36Å; R2651-K2654 VanDerWaalsContact O-N 3.12Å; L2652-K2654 PolarHBondContact O-N 3.1Å; L2652-K2654 VanDerWaalsContact O-N 3.12Å; K2654-P2665 HydrophobicContact CB-CG 3.9Å; K2654-P2665 HydrophobicContact CD-CG 4.19Å; K2654-P2665 HydrophobicContact CG-CG 4.45Å; K2654-P2665 WeakPolarHBondContact O-CD 3.35Å; K2654-P2665 WeakPolarHBondContact O-CG 3.43Å; K2654-D2666 WeakPolarHBondContact CD-OD2 3.45Å; K2654-D2666 WeakPolarHBondContact CE-OD2 3.46Å; K2654-D2666 IonicContact NZ-OD2 3.81Å; K2654-D2666 PolarHBondContact NZ-OD2 3.22Å |
| 2655 | W | 85.7 | Confident | 78.9 | Confident | 16.3333 Ų | 16.3333 | 56.3 Ų | 56.3 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | trans | -72.3 | 141.2 | 177.8 | -67 | 8.7 | 0 | 0 | 0 | 110 | R2651 L2652 H2663 T2664 L2667 D2668 V2729 L2732 H2733 I2798 | R2651-W2655 VanDerWaalsContact O-CD1 3.29Å; R2651-W2655 PolarHBondContact O-N 2.95Å; L2652-W2655 HydrophobicContact CD2-CD2 4.05Å; L2652-W2655 HydrophobicContact CD2-CE3 3.81Å; L2652-W2655 HydrophobicContact CD2-CH2 3.93Å; L2652-W2655 HydrophobicContact CD2-CZ2 4.19Å; L2652-W2655 HydrophobicContact CD2-CZ3 3.76Å; L2652-W2655 WeakPolarHBondContact O-CB 3.34Å; L2652-W2655 PolarHBondContact O-N 3.34Å; W2655-H2663 WeakPolarHBondContact CA-O 3.42Å; W2655-T2664 HydrophobicContact CD2-CG2 3.82Å; W2655-T2664 HydrophobicContact CE3-CG2 4.41Å; W2655-T2664 HydrophobicContact CG-CG2 3.91Å; W2655-T2664 HydrophobicContact CZ2-CG2 4.27Å; W2655-L2667 HydrophobicContact CZ2-CD1 3.47Å; W2655-L2667 VanDerWaalsContact CZ2-CD1 3.47Å; W2655-L2667 HydrophobicContact CZ2-CD2 4.26Å; W2655-D2668 PolarHBondContact NE1-OD2 3.08Å; W2655-V2729 HydrophobicContact CH2-CG1 3.89Å; W2655-V2729 WeakPolarHBondContact CH2-O 3.46Å; W2655-V2729 HydrophobicContact CZ2-CG1 3.93Å; W2655-L2732 HydrophobicContact CE3-CD2 4.31Å; W2655-L2732 HydrophobicContact CZ3-CB 4.41Å; W2655-L2732 HydrophobicContact CZ3-CD2 3.74Å; W2655-L2732 HydrophobicContact CZ3-CG 4.01Å; W2655-H2733 HydrophobicContact CH2-CB 3.7Å; W2655-H2733 AromaticContact CH2-CD2 3.96Å; W2655-H2733 HydrophobicContact CZ2-CB 4.42Å; W2655-H2733 HydrophobicContact CZ3-CB 4.25Å; W2655-I2798 HydrophobicContact CB-CD1 4.11Å; W2655-I2798 HydrophobicContact CB-CG2 4.23Å; W2655-I2798 HydrophobicContact CE3-CD1 4.46Å; W2655-I2798 HydrophobicContact CE3-CG1 4.28Å | ||
| 2656 | N | 82.1 | Confident | 77 | Confident | 65.6667 Ų | 65.6667 | 61.1 Ų | 61.1 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.5 | 177.9 | -160.9 | -13.7 | 0 | 0 | 0 | 109.6 | K2658 H2663 | N2656-K2658 WeakPolarHBondContact ND2-CE 3.43Å; N2656-H2663 HydrophobicContact CB-CB 4.36Å; N2656-H2663 PolarHBondContact N-O 3.28Å; N2656-H2663 VanDerWaalsContact N-O 3.17Å; N2656-H2663 WeakPolarHBondContact O-CA 3.32Å; N2656-H2663 WeakPolarHBondContact O-CB 3.38Å; N2656-H2663 PolarHBondContact O-N 3.13Å |
| 2657 | V | 80.1 | Confident | 75.1 | Confident | 0.333333 Ų | 0.333333 | 64.3 Ų | 64.3 | 0% | 0.002 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.2 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | L2661 L2662 L2740 E2791 C2794 Q2795 I2798 | V2657-L2661 WeakPolarHBondContact CA-O 3.36Å; V2657-L2662 HydrophobicContact CG2-CD1 3.82Å; V2657-L2740 HydrophobicContact CG1-CD1 4.07Å; V2657-L2740 HydrophobicContact CG1-CD2 4.07Å; V2657-E2791 HydrophobicContact CB-CG 4.06Å; V2657-E2791 HydrophobicContact CG1-CB 4.3Å; V2657-E2791 HydrophobicContact CG1-CG 3.93Å; V2657-C2794 HydrophobicContact CG1-CB 4.41Å; V2657-C2794 HydrophobicContact CG2-CB 3.85Å; V2657-Q2795 HydrophobicContact CB-CG 4.23Å; V2657-Q2795 HydrophobicContact CG2-CG 4.42Å; V2657-Q2795 PolarHBondContact O-NE2 3.01Å; V2657-I2798 HydrophobicContact CG2-CD1 3.88Å |
| 2658 | K | 71.6 | Confident | 73.3 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 47% | 0.465 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 145.2 | 177.5 | -67.6 | -173.1 | 175.2 | -175.4 | 0 | 110.2 | N2656 G2660 L2661 E2791 | N2656-K2658 WeakPolarHBondContact ND2-CE 3.43Å; K2658-G2660 PolarHBondContact O-N 3.13Å; K2658-G2660 VanDerWaalsContact O-N 3.11Å; K2658-L2661 PolarHBondContact N-O 3.14Å; K2658-L2661 VanDerWaalsContact N-O 3.09Å; K2658-L2661 PolarHBondContact O-N 3.14Å; K2658-L2661 VanDerWaalsContact O-O 3.13Å; K2658-E2791 VanDerWaalsContact C-OE1 3.3Å |
| 2659 | D | 64.5 | Low | 71.5 | Confident | 147.333 Ų | 147.333 | 65 Ų | 65 | 79% | 0.788 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 32.1 | 173.6 | -53.5 | -52.3 | 0 | 0 | 0 | 113.1 | L2661 E2791 | D2659-L2661 VanDerWaalsContact C-N 3.29Å; D2659-L2661 PolarHBondContact O-N 2.85Å; D2659-E2791 PolarHBondContact N-OE1 3.2Å |
| 2660 | G | 62.4 | Low | 69.8 | Low | 16.3333 Ų | 16.3333 | 66 Ų | 66 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 8.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | K2658 E2791 | K2658-G2660 PolarHBondContact O-N 3.13Å; K2658-G2660 VanDerWaalsContact O-N 3.11Å; G2660-E2791 PolarHBondContact N-OE1 3.23Å |
| 2661 | L | 65.6 | Low | 68.2 | Low | 110 Ų | 110 | 67.7 Ų | 67.7 | 58% | 0.576 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.1 | -178.9 | -78 | 149.4 | 0 | 0 | 0 | 111.8 | V2657 K2658 D2659 H2663 | V2657-L2661 WeakPolarHBondContact CA-O 3.36Å; K2658-L2661 PolarHBondContact N-O 3.14Å; K2658-L2661 VanDerWaalsContact N-O 3.09Å; K2658-L2661 PolarHBondContact O-N 3.14Å; K2658-L2661 VanDerWaalsContact O-O 3.13Å; D2659-L2661 VanDerWaalsContact C-N 3.29Å; D2659-L2661 PolarHBondContact O-N 2.85Å; L2661-H2663 PolarHBondContact O-N 3.05Å |
| 2662 | L | 74.1 | Confident | 66.7 | Low | 26.3333 Ų | 26.3333 | 66.7 Ų | 66.7 | 14% | 0.138 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 111.4 | 169.4 | -178.3 | 66.7 | 0 | 0 | 0 | 108.9 | V2657 T2664 L2736 L2740 I2798 | V2657-L2662 HydrophobicContact CG2-CD1 3.82Å; L2662-T2664 HydrophobicContact CD2-CG2 4.05Å; L2662-T2664 HydrophobicContact CG-CG2 3.99Å; L2662-T2664 PolarHBondContact O-N 3.01Å; L2662-L2736 HydrophobicContact CD1-CD1 4.45Å; L2662-L2736 HydrophobicContact CD2-CB 4.26Å; L2662-L2740 HydrophobicContact CB-CD1 3.88Å; L2662-I2798 HydrophobicContact CD1-CD1 4.02Å |
| 2663 | H | 72 | Confident | 65.4 | Low | 91.6667 Ų | 91.6667 | 67.9 Ų | 67.9 | 42% | 0.424 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 101.4 | 172 | -68.8 | -59.3 | 0 | 0 | 0 | 110.3 | W2655 N2656 L2661 P2665 | W2655-H2663 WeakPolarHBondContact CA-O 3.42Å; N2656-H2663 HydrophobicContact CB-CB 4.36Å; N2656-H2663 PolarHBondContact N-O 3.28Å; N2656-H2663 VanDerWaalsContact N-O 3.17Å; N2656-H2663 WeakPolarHBondContact O-CA 3.32Å; N2656-H2663 WeakPolarHBondContact O-CB 3.38Å; N2656-H2663 PolarHBondContact O-N 3.13Å; L2661-H2663 PolarHBondContact O-N 3.05Å; H2663-P2665 WeakPolarHBondContact O-CD 3.41Å |
| 2664 | T | 68.2 | Low | 63.8 | Low | 36.6667 Ų | 36.6667 | 67.3 Ų | 67.3 | 23% | 0.225 | 34% | 0.344 | C | S | . | . | trans | -101.2 | 134.9 | 166.9 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | W2655 L2662 D2666 L2667 D2668 H2733 | W2655-T2664 HydrophobicContact CD2-CG2 3.82Å; W2655-T2664 HydrophobicContact CE3-CG2 4.41Å; W2655-T2664 HydrophobicContact CG-CG2 3.91Å; W2655-T2664 HydrophobicContact CZ2-CG2 4.27Å; L2662-T2664 HydrophobicContact CD2-CG2 4.05Å; L2662-T2664 HydrophobicContact CG-CG2 3.99Å; L2662-T2664 PolarHBondContact O-N 3.01Å; T2664-D2666 PolarHBondContact O-N 2.89Å; T2664-L2667 HydrophobicContact CG2-CD1 4.3Å; T2664-D2668 HydrophobicContact CG2-CB 4.49Å; T2664-H2733 WeakPolarHBondContact CG2-NE2 3.42Å | ||
| 2665 | P | 60.6 | Low | 62.4 | Low | 55.6667 Ų | 55.6667 | 66.7 Ų | 66.7 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | trans | -68.6 | 124.7 | 174.1 | -2.2 | 10 | 0 | 0 | 0 | 112.7 | K2654 H2663 L2667 D2668 | K2654-P2665 HydrophobicContact CB-CG 3.9Å; K2654-P2665 HydrophobicContact CD-CG 4.19Å; K2654-P2665 HydrophobicContact CG-CG 4.45Å; K2654-P2665 WeakPolarHBondContact O-CD 3.35Å; K2654-P2665 WeakPolarHBondContact O-CG 3.43Å; H2663-P2665 WeakPolarHBondContact O-CD 3.41Å; P2665-L2667 PolarHBondContact O-N 3.34Å; P2665-D2668 PolarHBondContact O-N 3.41Å | ||
| 2666 | D | 52.6 | Low | 60.9 | Low | 100.667 Ų | 100.667 | 66.7 Ų | 66.7 | 54% | 0.538 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 4.7 | -176.4 | -71.4 | -21.2 | 0 | 0 | 0 | 116.6 | T2554 K2555 K2654 T2664 | T2554-D2666 HydrophobicContact CG2-CB 4.01Å; T2554-D2666 WeakPolarHBondContact CG2-OD2 3.35Å; K2555-D2666 HydrophobicContact CD-CB 4.4Å; K2555-D2666 WeakPolarHBondContact CE-OD1 3.25Å; K2555-D2666 PolarHBondContact NZ-O 3.15Å; K2555-D2666 VanDerWaalsContact NZ-O 3.13Å; K2555-D2666 IonicContact NZ-OD1 3.81Å; K2555-D2666 PolarHBondContact NZ-OD1 3.16Å; K2654-D2666 WeakPolarHBondContact CD-OD2 3.45Å; K2654-D2666 WeakPolarHBondContact CE-OD2 3.46Å; K2654-D2666 IonicContact NZ-OD2 3.81Å; K2654-D2666 PolarHBondContact NZ-OD2 3.22Å; T2664-D2666 PolarHBondContact O-N 2.89Å |
| 2667 | L | 48.8 | Very low | 59.5 | Low | 93 Ų | 93 | 67 Ų | 67 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 18.5 | 175.2 | -78.2 | 131.1 | 0 | 0 | 0 | 112.5 | A2558 W2655 T2664 P2665 D2669 | A2558-L2667 HydrophobicContact CB-CD2 4.08Å; A2558-L2667 HydrophobicContact CB-CG 4.26Å; W2655-L2667 HydrophobicContact CZ2-CD1 3.47Å; W2655-L2667 VanDerWaalsContact CZ2-CD1 3.47Å; W2655-L2667 HydrophobicContact CZ2-CD2 4.26Å; T2664-L2667 HydrophobicContact CG2-CD1 4.3Å; P2665-L2667 PolarHBondContact O-N 3.34Å; L2667-D2669 PolarHBondContact O-N 2.96Å |
| 2668 | D | 49.5 | Very low | 57.9 | Low | 26.3333 Ų | 26.3333 | 68.5 Ų | 68.5 | 14% | 0.141 | 36% | 0.356 | C | S | . | . | trans | -91.2 | 48.8 | 175.9 | -76.1 | -19.9 | 0 | 0 | 0 | 111.8 | H2526 K2555 R2651 W2655 T2664 P2665 D2670 | H2526-D2668 IonicContact CD2-OD2 2.99Å; H2526-D2668 PolarHBondContact CD2-OD2 3.4Å; H2526-D2668 IonicContact NE2-OD2 3.45Å; H2526-D2668 PolarHBondContact NE2-OD2 3.14Å; K2555-D2668 WeakPolarHBondContact CD-OD1 3.37Å; K2555-D2668 WeakPolarHBondContact CD-OD2 3.49Å; K2555-D2668 VanDerWaalsContact CE-OD1 3.27Å; K2555-D2668 WeakPolarHBondContact CE-OD1 3.4Å; K2555-D2668 VanDerWaalsContact NZ-CG 3.28Å; K2555-D2668 IonicContact NZ-OD1 3.96Å; K2555-D2668 PolarHBondContact NZ-OD1 2.62Å; K2555-D2668 IonicContact NZ-OD2 2.77Å; R2651-D2668 IonicContact CZ-OD1 2.93Å; R2651-D2668 IonicContact NE-OD1 2.77Å; R2651-D2668 PolarHBondContact NE-OD1 3.19Å; R2651-D2668 IonicContact NE-OD2 3.42Å; R2651-D2668 IonicContact NH2-OD1 2.71Å; R2651-D2668 PolarHBondContact NH2-OD1 3.33Å; W2655-D2668 PolarHBondContact NE1-OD2 3.08Å; T2664-D2668 HydrophobicContact CG2-CB 4.49Å; P2665-D2668 PolarHBondContact O-N 3.41Å; D2668-D2670 VanDerWaalsContact C-N 3.32Å; D2668-D2670 PolarHBondContact O-N 3.17Å | ||
| 2669 | D | 49.9 | Very low | 56.8 | Low | 88 Ų | 88 | 66.6 Ų | 66.6 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | trans | -35.7 | 77.2 | 162.3 | -72.3 | -15.1 | 0 | 0 | 0 | 111.8 | S2529 K2555 L2667 I2671 | S2529-D2669 WeakPolarHBondContact CB-OD2 3.18Å; S2529-D2669 PolarHBondContact OG-OD2 2.94Å; K2555-D2669 IonicContact NZ-OD1 2.71Å; K2555-D2669 PolarHBondContact NZ-OD1 3.02Å; K2555-D2669 IonicContact NZ-OD2 3.77Å; K2555-D2669 PolarHBondContact NZ-OD2 3.07Å; L2667-D2669 PolarHBondContact O-N 2.96Å; D2669-I2671 VanDerWaalsContact C-N 3.32Å; D2669-I2671 PolarHBondContact O-N 3.19Å | ||
| 2670 | D | 53.3 | Low | 55.9 | Low | 54.3333 Ų | 54.3333 | 62.1 Ų | 62.1 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | trans | -74.2 | 97.9 | 175.6 | -145.2 | -22.3 | 0 | 0 | 0 | 109.5 | D2668 E2672 F2673 E2674 R2730 | D2668-D2670 VanDerWaalsContact C-N 3.32Å; D2668-D2670 PolarHBondContact O-N 3.17Å; D2670-E2672 PolarHBondContact O-N 3.2Å; D2670-E2672 WeakPolarHBondContact OD1-CB 3.38Å; D2670-E2672 PolarHBondContact OD1-N 3.41Å; D2670-F2673 HydrophobicContact CB-CB 4.15Å; D2670-F2673 WeakPolarHBondContact O-CB 3.42Å; D2670-F2673 PolarHBondContact O-N 3.14Å; D2670-E2674 PolarHBondContact O-N 3.45Å; D2670-E2674 VanDerWaalsContact O-N 3.11Å; D2670-R2730 WeakPolarHBondContact OD2-CD 3.22Å; D2670-R2730 WeakPolarHBondContact OD2-CG 3.37Å | ||
| 2671 | I | 52 | Low | 55.5 | Low | 68 Ų | 68 | 66 Ų | 66 | 35% | 0.349 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.5 | -22.1 | 174.9 | -64.6 | 170 | 0 | 0 | 0 | 110.4 | N2525 K2528 D2669 F2673 E2674 R2675 | N2525-I2671 HydrophobicContact CB-CD1 3.93Å; N2525-I2671 WeakPolarHBondContact OD1-CD1 3.45Å; K2528-I2671 HydrophobicContact CD-CD1 4.29Å; D2669-I2671 VanDerWaalsContact C-N 3.32Å; D2669-I2671 PolarHBondContact O-N 3.19Å; I2671-F2673 VanDerWaalsContact C-N 3.35Å; I2671-E2674 PolarHBondContact O-N 3.33Å; I2671-R2675 WeakPolarHBondContact O-CA 3.47Å; I2671-R2675 VanDerWaalsContact O-CB 3.31Å; I2671-R2675 WeakPolarHBondContact O-CB 3.38Å; I2671-R2675 PolarHBondContact O-N 2.98Å; I2671-R2675 VanDerWaalsContact O-N 3.07Å |
| 2672 | E | 52.7 | Low | 55 | Low | 67 Ų | 67 | 66.7 Ų | 66.7 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 173.2 | -158.4 | 148.6 | -121.9 | 0 | 0 | 112.9 | D2670 R2675 E2676 R2730 | D2670-E2672 PolarHBondContact O-N 3.2Å; D2670-E2672 WeakPolarHBondContact OD1-CB 3.38Å; D2670-E2672 PolarHBondContact OD1-N 3.41Å; E2672-R2675 WeakPolarHBondContact O-CB 3.4Å; E2672-R2675 PolarHBondContact O-N 3.06Å; E2672-R2675 IonicContact OE1-CZ 2.8Å; E2672-R2675 IonicContact OE1-NH1 2.8Å; E2672-R2675 PolarHBondContact OE1-NH1 3.21Å; E2672-R2675 IonicContact OE1-NH2 3.9Å; E2672-R2675 PolarHBondContact OE1-NH2 3.4Å; E2672-E2676 WeakPolarHBondContact O-CB 3.35Å; E2672-E2676 VanDerWaalsContact O-CG 3.27Å; E2672-E2676 WeakPolarHBondContact O-CG 3.28Å; E2672-E2676 PolarHBondContact O-N 3.13Å; E2672-R2730 VanDerWaalsContact OE2-CD 3.32Å; E2672-R2730 WeakPolarHBondContact OE2-CD 3.43Å; E2672-R2730 IonicContact OE2-NE 3.77Å; E2672-R2730 IonicContact OE2-NH1 3.62Å |
| 2673 | F | 57.2 | Low | 54.7 | Low | 25.6667 Ų | 25.6667 | 65.8 Ų | 65.8 | 11% | 0.113 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 171.4 | 173.4 | -97.9 | 0 | 0 | 0 | 111.7 | D2670 I2671 R2675 E2676 T2677 I2683 Q2737 | D2670-F2673 HydrophobicContact CB-CB 4.15Å; D2670-F2673 WeakPolarHBondContact O-CB 3.42Å; D2670-F2673 PolarHBondContact O-N 3.14Å; I2671-F2673 VanDerWaalsContact C-N 3.35Å; F2673-R2675 VanDerWaalsContact C-N 3.27Å; F2673-R2675 PolarHBondContact O-N 3Å; F2673-E2676 PolarHBondContact O-N 3.07Å; F2673-T2677 WeakPolarHBondContact CE2-OG1 3Å; F2673-T2677 VanDerWaalsContact CZ-OG1 3.23Å; F2673-T2677 WeakPolarHBondContact CZ-OG1 3.38Å; F2673-T2677 VanDerWaalsContact O-CB 3.27Å; F2673-T2677 WeakPolarHBondContact O-CB 3.44Å; F2673-T2677 PolarHBondContact O-N 3.26Å; F2673-T2677 PolarHBondContact O-OG1 3.31Å; F2673-I2683 HydrophobicContact CD2-CD1 3.91Å; F2673-I2683 HydrophobicContact CE2-CD1 3.96Å; F2673-Q2737 HydrophobicContact CD1-CG 4.4Å; F2673-Q2737 HydrophobicContact CE1-CB 4.38Å; F2673-Q2737 HydrophobicContact CE1-CG 4.04Å; F2673-Q2737 VanDerWaalsContact CE1-NE2 3.33Å; F2673-Q2737 VanDerWaalsContact CE1-OE1 3.26Å; F2673-Q2737 HydrophobicContact CE2-CB 4.2Å; F2673-Q2737 HydrophobicContact CE2-CG 4.29Å; F2673-Q2737 HydrophobicContact CZ-CB 4.09Å; F2673-Q2737 VanDerWaalsContact CZ-CD 3.48Å; F2673-Q2737 HydrophobicContact CZ-CG 3.68Å |
| 2674 | E | 54 | Low | 54.6 | Low | 87.6667 Ų | 87.6667 | 62.8 Ų | 62.8 | 41% | 0.41 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -36.4 | 173.7 | -74.3 | -164.5 | 154.3 | 0 | 0 | 111.1 | Q2265 D2670 I2671 A2678 | Q2265-E2674 WeakPolarHBondContact CG-OE1 3.46Å; Q2265-E2674 PolarHBondContact NE2-OE1 3.41Å; D2670-E2674 PolarHBondContact O-N 3.45Å; D2670-E2674 VanDerWaalsContact O-N 3.11Å; I2671-E2674 PolarHBondContact O-N 3.33Å; E2674-A2678 WeakPolarHBondContact O-CA 3.36Å; E2674-A2678 WeakPolarHBondContact O-CB 3.38Å; E2674-A2678 PolarHBondContact O-N 2.98Å |
| 2675 | R | 52.8 | Low | 55.2 | Low | 115.667 Ų | 115.667 | 61.2 Ų | 61.2 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.3 | -49.2 | 176.6 | -172.6 | -176.6 | 108.9 | -164.6 | -2.9 | 112.3 | H2272 I2671 E2672 F2673 T2677 A2678 L2679 | H2272-R2675 WeakPolarHBondContact NE2-CD 3.46Å; H2272-R2675 VanDerWaalsContact NE2-CG 3.27Å; H2272-R2675 WeakPolarHBondContact NE2-CG 3.4Å; I2671-R2675 WeakPolarHBondContact O-CA 3.47Å; I2671-R2675 VanDerWaalsContact O-CB 3.31Å; I2671-R2675 WeakPolarHBondContact O-CB 3.38Å; I2671-R2675 PolarHBondContact O-N 2.98Å; I2671-R2675 VanDerWaalsContact O-N 3.07Å; E2672-R2675 WeakPolarHBondContact O-CB 3.4Å; E2672-R2675 PolarHBondContact O-N 3.06Å; E2672-R2675 IonicContact OE1-CZ 2.8Å; E2672-R2675 IonicContact OE1-NH1 2.8Å; E2672-R2675 PolarHBondContact OE1-NH1 3.21Å; E2672-R2675 IonicContact OE1-NH2 3.9Å; E2672-R2675 PolarHBondContact OE1-NH2 3.4Å; F2673-R2675 VanDerWaalsContact C-N 3.27Å; F2673-R2675 PolarHBondContact O-N 3Å; R2675-T2677 VanDerWaalsContact C-N 3.31Å; R2675-T2677 PolarHBondContact O-N 3.25Å; R2675-A2678 PolarHBondContact O-N 3.12Å; R2675-L2679 HydrophobicContact CG-CD1 3.95Å; R2675-L2679 HydrophobicContact CG-CG 4.39Å; R2675-L2679 VanDerWaalsContact O-CB 3.29Å; R2675-L2679 WeakPolarHBondContact O-CB 3.35Å; R2675-L2679 WeakPolarHBondContact O-CD1 3.39Å; R2675-L2679 VanDerWaalsContact O-CG 3.26Å; R2675-L2679 WeakPolarHBondContact O-CG 3.42Å; R2675-L2679 PolarHBondContact O-N 3.19Å |
| 2676 | E | 54 | Low | 56.1 | Low | 17 Ų | 17 | 59.5 Ų | 59.5 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 177.7 | -73.8 | -178.4 | 166.9 | 0 | 0 | 110.4 | E2672 F2673 L2679 G2680 Q2681 I2683 R2731 | E2672-E2676 WeakPolarHBondContact O-CB 3.35Å; E2672-E2676 VanDerWaalsContact O-CG 3.27Å; E2672-E2676 WeakPolarHBondContact O-CG 3.28Å; E2672-E2676 PolarHBondContact O-N 3.13Å; F2673-E2676 PolarHBondContact O-N 3.07Å; E2676-L2679 PolarHBondContact O-N 3.24Å; E2676-G2680 PolarHBondContact O-N 2.83Å; E2676-Q2681 WeakPolarHBondContact O-CB 3.42Å; E2676-Q2681 PolarHBondContact O-N 3.06Å; E2676-Q2681 VanDerWaalsContact O-N 3.15Å; E2676-I2683 HydrophobicContact CB-CD1 4.1Å; E2676-I2683 HydrophobicContact CB-CG1 4.25Å; E2676-I2683 WeakPolarHBondContact OE2-CD1 3.4Å; E2676-R2731 VanDerWaalsContact CD-NH1 3.29Å; E2676-R2731 IonicContact OE1-CZ 2.96Å; E2676-R2731 IonicContact OE1-NH1 3.6Å; E2676-R2731 PolarHBondContact OE1-NH1 3.25Å; E2676-R2731 IonicContact OE1-NH2 3.34Å; E2676-R2731 IonicContact OE2-NH1 3.14Å; E2676-R2731 PolarHBondContact OE2-NH1 3.21Å; E2676-R2731 VanDerWaalsContact OE2-NH1 3.1Å |
| 2677 | T | 52.5 | Low | 57.5 | Low | 73.3333 Ų | 73.3333 | 58.3 Ų | 58.3 | 45% | 0.45 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 174.9 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | F2673 R2675 L2679 G2680 | F2673-T2677 WeakPolarHBondContact CE2-OG1 3Å; F2673-T2677 VanDerWaalsContact CZ-OG1 3.23Å; F2673-T2677 WeakPolarHBondContact CZ-OG1 3.38Å; F2673-T2677 VanDerWaalsContact O-CB 3.27Å; F2673-T2677 WeakPolarHBondContact O-CB 3.44Å; F2673-T2677 PolarHBondContact O-N 3.26Å; F2673-T2677 PolarHBondContact O-OG1 3.31Å; R2675-T2677 VanDerWaalsContact C-N 3.31Å; R2675-T2677 PolarHBondContact O-N 3.25Å; T2677-L2679 VanDerWaalsContact C-N 3.29Å; T2677-L2679 PolarHBondContact O-N 3.12Å; T2677-G2680 PolarHBondContact O-N 3.15Å; T2677-G2680 VanDerWaalsContact O-N 3.08Å |
| 2678 | A | 47.8 | Very low | 59.2 | Low | 31.3333 Ų | 31.3333 | 53.9 Ų | 53.9 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.5 | -24.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R2269 Q2273 Q2309 E2674 R2675 G2680 | R2269-A2678 HydrophobicContact CG-CB 3.69Å; Q2273-A2678 PolarHBondContact NE2-O 3.33Å; Q2273-A2678 VanDerWaalsContact NE2-O 3.17Å; Q2309-A2678 PolarHBondContact OE1-O 3.27Å; E2674-A2678 WeakPolarHBondContact O-CA 3.36Å; E2674-A2678 WeakPolarHBondContact O-CB 3.38Å; E2674-A2678 PolarHBondContact O-N 2.98Å; R2675-A2678 PolarHBondContact O-N 3.12Å; A2678-G2680 VanDerWaalsContact C-N 3.29Å; A2678-G2680 PolarHBondContact O-N 3.03Å |
| 2679 | L | 47.3 | Very low | 60.9 | Low | 67.3333 Ų | 67.3333 | 52.8 Ų | 52.8 | 35% | 0.353 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.9 | 172.6 | -71.7 | 169.6 | 0 | 0 | 0 | 113 | E2276 R2675 E2676 T2677 Q2681 | E2276-L2679 HydrophobicContact CG-CD2 3.68Å; R2675-L2679 HydrophobicContact CG-CD1 3.95Å; R2675-L2679 HydrophobicContact CG-CG 4.39Å; R2675-L2679 VanDerWaalsContact O-CB 3.29Å; R2675-L2679 WeakPolarHBondContact O-CB 3.35Å; R2675-L2679 WeakPolarHBondContact O-CD1 3.39Å; R2675-L2679 VanDerWaalsContact O-CG 3.26Å; R2675-L2679 WeakPolarHBondContact O-CG 3.42Å; R2675-L2679 PolarHBondContact O-N 3.19Å; E2676-L2679 PolarHBondContact O-N 3.24Å; T2677-L2679 VanDerWaalsContact C-N 3.29Å; T2677-L2679 PolarHBondContact O-N 3.12Å; L2679-Q2681 VanDerWaalsContact C-N 3.32Å; L2679-Q2681 HydrophobicContact CB-CG 4.25Å; L2679-Q2681 PolarHBondContact O-N 3.14Å |
| 2680 | G | 45.5 | Very low | 62.6 | Low | 51.6667 Ų | 51.6667 | 51.4 Ų | 51.4 | 53% | 0.533 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 20.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E2676 T2677 A2678 V2682 | E2676-G2680 PolarHBondContact O-N 2.83Å; T2677-G2680 PolarHBondContact O-N 3.15Å; T2677-G2680 VanDerWaalsContact O-N 3.08Å; A2678-G2680 VanDerWaalsContact C-N 3.29Å; A2678-G2680 PolarHBondContact O-N 3.03Å; G2680-V2682 PolarHBondContact O-N 3Å |
| 2681 | Q | 54 | Low | 64.1 | Low | 98.6667 Ų | 98.6667 | 48.9 Ų | 48.9 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | trans | -77.3 | 113.5 | 176.9 | -67 | -174.6 | -18.8 | 0 | 0 | 109.3 | E2676 L2679 I2683 | E2676-Q2681 WeakPolarHBondContact O-CB 3.42Å; E2676-Q2681 PolarHBondContact O-N 3.06Å; E2676-Q2681 VanDerWaalsContact O-N 3.15Å; L2679-Q2681 VanDerWaalsContact C-N 3.32Å; L2679-Q2681 HydrophobicContact CB-CG 4.25Å; L2679-Q2681 PolarHBondContact O-N 3.14Å; Q2681-I2683 WeakPolarHBondContact O-CG1 3.37Å; Q2681-I2683 PolarHBondContact O-N 3.05Å; Q2681-I2683 VanDerWaalsContact O-N 3.14Å | ||
| 2682 | V | 57 | Low | 65.9 | Low | 124.333 Ų | 124.333 | 45.7 Ų | 45.7 | 75% | 0.754 | 25% | 0.252 | S | S | * | . | trans | -69.5 | 112.1 | 174.7 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | G2680 S2684 | G2680-V2682 PolarHBondContact O-N 3Å; V2682-S2684 PolarHBondContact O-N 3.17Å; V2682-S2684 VanDerWaalsContact O-N 3.12Å | ||
| 2683 | I | 67 | Low | 67.5 | Low | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -81.2 | 96.2 | -179.1 | -53.5 | 172.3 | 0 | 0 | 0 | 108.3 | F2673 E2676 Q2681 Y2687 V2735 T2738 | F2673-I2683 HydrophobicContact CD2-CD1 3.91Å; F2673-I2683 HydrophobicContact CE2-CD1 3.96Å; E2676-I2683 HydrophobicContact CB-CD1 4.1Å; E2676-I2683 HydrophobicContact CB-CG1 4.25Å; E2676-I2683 WeakPolarHBondContact OE2-CD1 3.4Å; Q2681-I2683 WeakPolarHBondContact O-CG1 3.37Å; Q2681-I2683 PolarHBondContact O-N 3.05Å; Q2681-I2683 VanDerWaalsContact O-N 3.14Å; I2683-Y2687 HydrophobicContact CG2-CD2 4.24Å; I2683-V2735 HydrophobicContact CG2-CB 4.39Å; I2683-V2735 HydrophobicContact CG2-CG2 3.73Å; I2683-T2738 HydrophobicContact CB-CG2 4.41Å; I2683-T2738 WeakPolarHBondContact CD1-OG1 3.06Å | ||
| 2684 | S | 70.4 | Confident | 68.9 | Low | 29.3333 Ų | 29.3333 | 47.6 Ų | 47.6 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | trans | -75.2 | 153.1 | -178.9 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | V2682 S2686 Y2687 V2735 | V2682-S2684 PolarHBondContact O-N 3.17Å; V2682-S2684 VanDerWaalsContact O-N 3.12Å; S2684-S2686 WeakPolarHBondContact CB-OG 3.33Å; S2684-S2686 PolarHBondContact O-N 3.25Å; S2684-S2686 PolarHBondContact OG-OG 3.26Å; S2684-Y2687 WeakPolarHBondContact O-CD2 3.39Å; S2684-Y2687 PolarHBondContact O-N 3.02Å; S2684-Y2687 VanDerWaalsContact O-N 3.11Å; S2684-Y2687 VanDerWaalsContact OG-CD2 3.32Å; S2684-Y2687 WeakPolarHBondContact OG-CD2 3.31Å; S2684-Y2687 WeakPolarHBondContact OG-CE2 3.39Å; S2684-V2735 WeakPolarHBondContact O-CG2 3.44Å | ||
| 2685 | P | 79.4 | Confident | 70.7 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.3 | 171.5 | -26.9 | 36.5 | 0 | 0 | 0 | 114.1 | Y2687 L2688 S2849 L2852 G2854 A2855 | P2685-Y2687 PolarHBondContact O-N 3.28Å; P2685-L2688 WeakPolarHBondContact O-CB 3.41Å; P2685-L2688 PolarHBondContact O-N 3.17Å; P2685-S2849 VanDerWaalsContact CB-O 3.22Å; P2685-S2849 WeakPolarHBondContact CB-O 3.18Å; P2685-L2852 HydrophobicContact CB-CB 4.22Å; P2685-L2852 HydrophobicContact CG-CB 3.83Å; P2685-G2854 WeakPolarHBondContact CD-O 3.49Å; P2685-A2855 HydrophobicContact CB-CB 4.17Å; P2685-A2855 HydrophobicContact CG-CB 4.17Å |
| 2686 | S | 79.9 | Confident | 72.4 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 13% | 0.133 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -22.8 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | S2684 L2688 V2689 C2690 | S2684-S2686 WeakPolarHBondContact CB-OG 3.33Å; S2684-S2686 PolarHBondContact O-N 3.25Å; S2684-S2686 PolarHBondContact OG-OG 3.26Å; S2686-L2688 VanDerWaalsContact C-N 3.28Å; S2686-L2688 PolarHBondContact O-N 3.13Å; S2686-V2689 WeakPolarHBondContact O-CB 3.37Å; S2686-V2689 PolarHBondContact O-N 3.14Å; S2686-V2689 VanDerWaalsContact O-N 3.1Å; S2686-C2690 PolarHBondContact O-N 3.04Å; S2686-C2690 PolarHBondContact O-SG 3.15Å |
| 2687 | Y | 81.7 | Confident | 74 | Confident | 76.3333 Ų | 76.3333 | 43.8 Ų | 43.8 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -33.5 | 171.2 | -77.3 | -82.9 | 0 | 0 | 0 | 113 | I2683 S2684 P2685 V2689 C2690 A2691 | I2683-Y2687 HydrophobicContact CG2-CD2 4.24Å; S2684-Y2687 WeakPolarHBondContact O-CD2 3.39Å; S2684-Y2687 PolarHBondContact O-N 3.02Å; S2684-Y2687 VanDerWaalsContact O-N 3.11Å; S2684-Y2687 VanDerWaalsContact OG-CD2 3.32Å; S2684-Y2687 WeakPolarHBondContact OG-CD2 3.31Å; S2684-Y2687 WeakPolarHBondContact OG-CE2 3.39Å; P2685-Y2687 PolarHBondContact O-N 3.28Å; Y2687-V2689 VanDerWaalsContact C-N 3.35Å; Y2687-C2690 WeakPolarHBondContact O-CB 3.47Å; Y2687-C2690 PolarHBondContact O-N 3.24Å; Y2687-A2691 PolarHBondContact O-N 3.34Å; Y2687-A2691 VanDerWaalsContact O-N 3.09Å |
| 2688 | L | 85.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 175.5 | -143.6 | 89.4 | 0 | 0 | 0 | 111.1 | P2685 S2686 C2690 A2691 A2692 L2728 L2732 V2735 I2845 S2849 | P2685-L2688 WeakPolarHBondContact O-CB 3.41Å; P2685-L2688 PolarHBondContact O-N 3.17Å; S2686-L2688 VanDerWaalsContact C-N 3.28Å; S2686-L2688 PolarHBondContact O-N 3.13Å; L2688-C2690 VanDerWaalsContact C-N 3.31Å; L2688-C2690 PolarHBondContact O-N 3.29Å; L2688-A2691 PolarHBondContact O-N 3.01Å; L2688-A2692 WeakPolarHBondContact O-CB 3.39Å; L2688-A2692 PolarHBondContact O-N 3.37Å; L2688-L2728 HydrophobicContact CD1-CD1 3.62Å; L2688-L2728 HydrophobicContact CD2-CD1 3.87Å; L2688-L2732 HydrophobicContact CD1-CB 4.19Å; L2688-L2732 HydrophobicContact CD1-CD1 4.11Å; L2688-L2732 HydrophobicContact CD2-CB 4.02Å; L2688-L2732 HydrophobicContact CD2-CD1 4Å; L2688-V2735 HydrophobicContact CB-CG2 4.4Å; L2688-V2735 HydrophobicContact CD1-CB 4.29Å; L2688-V2735 HydrophobicContact CD1-CG1 3.8Å; L2688-V2735 HydrophobicContact CG-CB 4.34Å; L2688-V2735 HydrophobicContact CG-CG1 4.27Å; L2688-V2735 HydrophobicContact CG-CG2 4.34Å; L2688-I2845 HydrophobicContact CD1-CG2 3.77Å; L2688-I2845 HydrophobicContact CD2-CG2 3.94Å; L2688-I2845 HydrophobicContact CG-CG2 3.51Å; L2688-I2845 VanDerWaalsContact CG-CG2 3.5Å; L2688-S2849 WeakPolarHBondContact CB-OG 3.41Å; L2688-S2849 WeakPolarHBondContact CD2-OG 3.41Å; L2688-S2849 WeakPolarHBondContact CG-OG 3.43Å |
| 2689 | V | 85.7 | Confident | 77.8 | Confident | 2.33333 Ų | 2.33333 | 39 Ų | 39 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | S2686 Y2687 A2692 R2693 S2849 I2860 F2863 | S2686-V2689 WeakPolarHBondContact O-CB 3.37Å; S2686-V2689 PolarHBondContact O-N 3.14Å; S2686-V2689 VanDerWaalsContact O-N 3.1Å; Y2687-V2689 VanDerWaalsContact C-N 3.35Å; V2689-A2692 WeakPolarHBondContact O-CB 3.46Å; V2689-A2692 PolarHBondContact O-N 3.38Å; V2689-R2693 WeakPolarHBondContact O-CB 3.44Å; V2689-R2693 VanDerWaalsContact O-CG 3.29Å; V2689-R2693 WeakPolarHBondContact O-CG 3.4Å; V2689-R2693 PolarHBondContact O-N 3.08Å; V2689-S2849 WeakPolarHBondContact CG2-OG 3.3Å; V2689-I2860 HydrophobicContact CG1-CG2 4.22Å; V2689-I2860 HydrophobicContact CG2-CD1 4.31Å; V2689-I2860 HydrophobicContact CG2-CG1 4.34Å; V2689-I2860 HydrophobicContact CG2-CG2 3.92Å; V2689-F2863 HydrophobicContact CG1-CD2 3.84Å; V2689-F2863 HydrophobicContact CG1-CE2 3.75Å |
| 2690 | C | 83.7 | Confident | 79.8 | Confident | 58.6667 Ų | 58.6667 | 37.9 Ų | 37.9 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 173.6 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | S2686 Y2687 L2688 R2693 A2694 | S2686-C2690 PolarHBondContact O-N 3.04Å; S2686-C2690 PolarHBondContact O-SG 3.15Å; Y2687-C2690 WeakPolarHBondContact O-CB 3.47Å; Y2687-C2690 PolarHBondContact O-N 3.24Å; L2688-C2690 VanDerWaalsContact C-N 3.31Å; L2688-C2690 PolarHBondContact O-N 3.29Å; C2690-R2693 PolarHBondContact O-N 3.12Å; C2690-A2694 PolarHBondContact O-N 3.25Å |
| 2691 | A | 86.1 | Confident | 81.8 | Confident | 2.66667 Ų | 2.66667 | 38.2 Ų | 38.2 | 2% | 0.022 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y2687 L2688 R2693 A2694 I2695 L2728 | Y2687-A2691 PolarHBondContact O-N 3.34Å; Y2687-A2691 VanDerWaalsContact O-N 3.09Å; L2688-A2691 PolarHBondContact O-N 3.01Å; A2691-R2693 PolarHBondContact O-N 3.01Å; A2691-A2694 PolarHBondContact O-N 3.16Å; A2691-I2695 WeakPolarHBondContact O-CG1 3.36Å; A2691-I2695 PolarHBondContact O-N 3.29Å; A2691-L2728 HydrophobicContact CB-CB 4.24Å; A2691-L2728 HydrophobicContact CB-CD1 4.07Å |
| 2692 | A | 88.4 | Confident | 83.5 | Confident | 0.333333 Ų | 0.333333 | 33.5 Ų | 33.5 | 0% | 0.003 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2688 V2689 I2695 T2696 V2842 I2845 V2846 | L2688-A2692 WeakPolarHBondContact O-CB 3.39Å; L2688-A2692 PolarHBondContact O-N 3.37Å; V2689-A2692 WeakPolarHBondContact O-CB 3.46Å; V2689-A2692 PolarHBondContact O-N 3.38Å; A2692-I2695 PolarHBondContact O-N 2.94Å; A2692-T2696 WeakPolarHBondContact O-CB 3.28Å; A2692-T2696 PolarHBondContact O-N 3.42Å; A2692-T2696 VanDerWaalsContact O-N 3.12Å; A2692-T2696 PolarHBondContact O-OG1 3.01Å; A2692-V2842 HydrophobicContact CB-CG1 3.78Å; A2692-I2845 HydrophobicContact CB-CG2 4.29Å; A2692-V2846 HydrophobicContact CB-CG2 3.84Å |
| 2693 | R | 86.7 | Confident | 85 | Confident | 94.3333 Ų | 94.3333 | 29 Ų | 29 | 36% | 0.356 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63 | -45.4 | 173.2 | -72.9 | 175.5 | -179.2 | 162.6 | 2.9 | 111.7 | V2689 C2690 A2691 I2695 T2696 Q2697 I2860 F2863 | V2689-R2693 WeakPolarHBondContact O-CB 3.44Å; V2689-R2693 VanDerWaalsContact O-CG 3.29Å; V2689-R2693 WeakPolarHBondContact O-CG 3.4Å; V2689-R2693 PolarHBondContact O-N 3.08Å; C2690-R2693 PolarHBondContact O-N 3.12Å; A2691-R2693 PolarHBondContact O-N 3.01Å; R2693-I2695 VanDerWaalsContact C-N 3.33Å; R2693-I2695 PolarHBondContact O-N 3.31Å; R2693-T2696 WeakPolarHBondContact O-CB 3.47Å; R2693-T2696 PolarHBondContact O-N 3.3Å; R2693-T2696 VanDerWaalsContact O-N 3.16Å; R2693-Q2697 PolarHBondContact O-N 3.12Å; R2693-I2860 PolarHBondContact NH2-O 3.04Å; R2693-F2863 HydrophobicContact CG-CE2 3.59Å; R2693-F2863 HydrophobicContact CG-CZ 3.88Å |
| 2694 | A | 87.2 | Confident | 86 | Confident | 38.3333 Ų | 38.3333 | 32.9 Ų | 32.9 | 32% | 0.317 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C2690 A2691 Q2697 A2698 A2724 | C2690-A2694 PolarHBondContact O-N 3.25Å; A2691-A2694 PolarHBondContact O-N 3.16Å; A2694-Q2697 WeakPolarHBondContact O-CB 3.48Å; A2694-Q2697 PolarHBondContact O-N 3.14Å; A2694-A2698 WeakPolarHBondContact O-CB 3.36Å; A2694-A2698 PolarHBondContact O-N 3.1Å; A2694-A2724 HydrophobicContact CB-CB 4.37Å |
| 2695 | I | 91.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 174 | -74.8 | 175.9 | 0 | 0 | 0 | 111.4 | A2691 A2692 R2693 Q2697 A2698 A2699 A2724 L2728 T2804 L2808 L2838 V2842 | A2691-I2695 WeakPolarHBondContact O-CG1 3.36Å; A2691-I2695 PolarHBondContact O-N 3.29Å; A2692-I2695 PolarHBondContact O-N 2.94Å; R2693-I2695 VanDerWaalsContact C-N 3.33Å; R2693-I2695 PolarHBondContact O-N 3.31Å; I2695-Q2697 VanDerWaalsContact C-N 3.32Å; I2695-Q2697 PolarHBondContact O-N 3.09Å; I2695-A2698 PolarHBondContact O-N 2.94Å; I2695-A2699 WeakPolarHBondContact O-CB 3.36Å; I2695-A2699 PolarHBondContact O-N 3.22Å; I2695-A2724 HydrophobicContact CG1-CB 3.74Å; I2695-L2728 HydrophobicContact CD1-CB 3.8Å; I2695-L2728 HydrophobicContact CD1-CD2 3.54Å; I2695-L2728 VanDerWaalsContact CD1-CD2 3.45Å; I2695-L2728 HydrophobicContact CD1-CG 4.18Å; I2695-T2804 HydrophobicContact CD1-CG2 3.81Å; I2695-T2804 HydrophobicContact CG2-CG2 3.84Å; I2695-L2808 HydrophobicContact CD1-CD1 4.24Å; I2695-L2808 HydrophobicContact CG1-CD1 4.27Å; I2695-L2808 HydrophobicContact CG2-CD1 4.06Å; I2695-L2808 HydrophobicContact CG2-CD2 4.23Å; I2695-L2808 HydrophobicContact CG2-CG 4.37Å; I2695-L2838 HydrophobicContact CG2-CD1 4.24Å; I2695-L2838 HydrophobicContact CG2-CD2 3.89Å; I2695-L2838 HydrophobicContact CG2-CG 4.28Å; I2695-V2842 HydrophobicContact CG2-CG2 3.91Å |
| 2696 | T | 89.7 | Confident | 87.1 | Confident | 46.6667 Ų | 46.6667 | 31.7 Ų | 31.7 | 29% | 0.286 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | A2692 R2693 A2699 T2700 | A2692-T2696 WeakPolarHBondContact O-CB 3.28Å; A2692-T2696 PolarHBondContact O-N 3.42Å; A2692-T2696 VanDerWaalsContact O-N 3.12Å; A2692-T2696 PolarHBondContact O-OG1 3.01Å; R2693-T2696 WeakPolarHBondContact O-CB 3.47Å; R2693-T2696 PolarHBondContact O-N 3.3Å; R2693-T2696 VanDerWaalsContact O-N 3.16Å; T2696-A2699 PolarHBondContact O-N 3.22Å; T2696-T2700 WeakPolarHBondContact O-CB 3.29Å; T2696-T2700 PolarHBondContact O-N 3.29Å; T2696-T2700 PolarHBondContact O-OG1 2.87Å |
| 2697 | Q | 88 | Confident | 87.2 | Confident | 95 Ų | 95 | 33.1 Ų | 33.1 | 44% | 0.444 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 176.3 | -166.2 | 150.6 | 18.6 | 0 | 0 | 111.8 | R2693 A2694 I2695 A2699 T2700 N2701 M2720 | R2693-Q2697 PolarHBondContact O-N 3.12Å; A2694-Q2697 WeakPolarHBondContact O-CB 3.48Å; A2694-Q2697 PolarHBondContact O-N 3.14Å; I2695-Q2697 VanDerWaalsContact C-N 3.32Å; I2695-Q2697 PolarHBondContact O-N 3.09Å; Q2697-A2699 VanDerWaalsContact C-N 3.35Å; Q2697-A2699 PolarHBondContact O-N 3.11Å; Q2697-T2700 PolarHBondContact O-N 3.13Å; Q2697-N2701 WeakPolarHBondContact O-CB 3.47Å; Q2697-N2701 PolarHBondContact O-N 3.19Å; Q2697-M2720 HydrophobicContact CG-CE 4.42Å |
| 2698 | A | 88.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | A2694 I2695 N2701 A2702 M2720 I2721 A2724 | A2694-A2698 WeakPolarHBondContact O-CB 3.36Å; A2694-A2698 PolarHBondContact O-N 3.1Å; I2695-A2698 PolarHBondContact O-N 2.94Å; A2698-N2701 PolarHBondContact O-N 3.3Å; A2698-A2702 WeakPolarHBondContact O-CB 3.26Å; A2698-A2702 PolarHBondContact O-N 3.11Å; A2698-M2720 HydrophobicContact CB-CB 3.9Å; A2698-I2721 HydrophobicContact CB-CG1 3.98Å; A2698-A2724 HydrophobicContact CB-CB 4.28Å |
| 2699 | A | 90.1 | Very high | 86.8 | Confident | 1.33333 Ų | 1.33333 | 33.4 Ų | 33.4 | 1% | 0.011 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I2695 T2696 Q2697 A2702 N2703 L2811 M2835 L2838 | I2695-A2699 WeakPolarHBondContact O-CB 3.36Å; I2695-A2699 PolarHBondContact O-N 3.22Å; T2696-A2699 PolarHBondContact O-N 3.22Å; Q2697-A2699 VanDerWaalsContact C-N 3.35Å; Q2697-A2699 PolarHBondContact O-N 3.11Å; A2699-A2702 PolarHBondContact O-N 3.09Å; A2699-N2703 WeakPolarHBondContact O-CB 3.41Å; A2699-N2703 PolarHBondContact O-N 3.07Å; A2699-L2811 HydrophobicContact CB-CD1 3.9Å; A2699-M2835 HydrophobicContact CB-CG 4.26Å; A2699-L2838 HydrophobicContact CB-CD2 3.28Å |
| 2700 | T | 89 | Confident | 86.6 | Confident | 44.6667 Ų | 44.6667 | 38.4 Ų | 38.4 | 27% | 0.274 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.4 | -46 | 173.4 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | T2696 Q2697 A2702 N2703 N2704 M2835 | T2696-T2700 WeakPolarHBondContact O-CB 3.29Å; T2696-T2700 PolarHBondContact O-N 3.29Å; T2696-T2700 PolarHBondContact O-OG1 2.87Å; Q2697-T2700 PolarHBondContact O-N 3.13Å; T2700-A2702 VanDerWaalsContact C-N 3.32Å; T2700-A2702 PolarHBondContact O-N 3.27Å; T2700-N2703 PolarHBondContact O-N 3.08Å; T2700-N2704 VanDerWaalsContact O-CG 3.23Å; T2700-N2704 PolarHBondContact O-N 3.38Å; T2700-N2704 PolarHBondContact O-ND2 3.07Å; T2700-N2704 PolarHBondContact O-OD1 3.13Å; T2700-M2835 HydrophobicContact CG2-CE 4.1Å; T2700-M2835 VanDerWaalsContact OG1-CE 3.24Å; T2700-M2835 WeakPolarHBondContact OG1-CE 3.4Å |
| 2701 | N | 87.8 | Confident | 86.4 | Confident | 57.3333 Ų | 57.3333 | 37.2 Ų | 37.2 | 31% | 0.307 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 176.4 | -72.9 | -4.3 | 0 | 0 | 0 | 111.9 | Q2697 A2698 N2704 A2705 M2720 | Q2697-N2701 WeakPolarHBondContact O-CB 3.47Å; Q2697-N2701 PolarHBondContact O-N 3.19Å; A2698-N2701 PolarHBondContact O-N 3.3Å; N2701-N2704 PolarHBondContact O-N 3.33Å; N2701-A2705 WeakPolarHBondContact O-CB 3.27Å; N2701-A2705 PolarHBondContact O-N 3.21Å; N2701-M2720 HydrophobicContact CB-SD 4.36Å; N2701-M2720 VanDerWaalsContact ND2-CE 3.33Å; N2701-M2720 WeakPolarHBondContact ND2-CE 3.33Å; N2701-M2720 PolarHBondContact ND2-SD 3.21Å |
| 2702 | A | 89 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A2698 A2699 T2700 T2706 A2717 I2721 L2811 M2815 | A2698-A2702 WeakPolarHBondContact O-CB 3.26Å; A2698-A2702 PolarHBondContact O-N 3.11Å; A2699-A2702 PolarHBondContact O-N 3.09Å; T2700-A2702 VanDerWaalsContact C-N 3.32Å; T2700-A2702 PolarHBondContact O-N 3.27Å; A2702-T2706 WeakPolarHBondContact O-CB 3.34Å; A2702-T2706 PolarHBondContact O-N 3.18Å; A2702-T2706 PolarHBondContact O-OG1 3.23Å; A2702-A2717 VanDerWaalsContact CA-CB 3.48Å; A2702-A2717 HydrophobicContact CB-CB 3.9Å; A2702-I2721 HydrophobicContact CB-CD1 3.78Å; A2702-L2811 HydrophobicContact CB-CD2 3.67Å; A2702-M2815 HydrophobicContact CB-CE 3.93Å; A2702-M2815 HydrophobicContact CB-SD 3.6Å; A2702-M2815 VanDerWaalsContact CB-SD 3.56Å |
| 2703 | N | 89.8 | Confident | 85.6 | Confident | 31.3333 Ų | 31.3333 | 42.9 Ų | 42.9 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 174.2 | -177.4 | 78.4 | 0 | 0 | 0 | 111.4 | A2699 T2700 T2706 G2707 V2831 T2832 M2835 | A2699-N2703 WeakPolarHBondContact O-CB 3.41Å; A2699-N2703 PolarHBondContact O-N 3.07Å; T2700-N2703 PolarHBondContact O-N 3.08Å; N2703-T2706 PolarHBondContact O-N 3.15Å; N2703-G2707 PolarHBondContact O-N 3.36Å; N2703-V2831 HydrophobicContact CB-CG1 4.37Å; N2703-T2832 VanDerWaalsContact OD1-CA 3.24Å; N2703-T2832 WeakPolarHBondContact OD1-CA 3.42Å; N2703-T2832 WeakPolarHBondContact OD1-CB 3.31Å; N2703-T2832 PolarHBondContact OD1-N 3.08Å; N2703-T2832 PolarHBondContact OD1-OG1 2.97Å; N2703-M2835 HydrophobicContact CB-SD 3.69Å |
| 2704 | N | 87.4 | Confident | 85.6 | Confident | 89.6667 Ų | 89.6667 | 38.5 Ų | 38.5 | 48% | 0.48 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 178.8 | -65.9 | -12.1 | 0 | 0 | 0 | 112 | T2700 N2701 T2706 G2707 S2708 | T2700-N2704 VanDerWaalsContact O-CG 3.23Å; T2700-N2704 PolarHBondContact O-N 3.38Å; T2700-N2704 PolarHBondContact O-ND2 3.07Å; T2700-N2704 PolarHBondContact O-OD1 3.13Å; N2701-N2704 PolarHBondContact O-N 3.33Å; N2704-T2706 VanDerWaalsContact C-N 3.35Å; N2704-T2706 PolarHBondContact O-N 3.44Å; N2704-G2707 PolarHBondContact O-N 3.12Å; N2704-S2708 PolarHBondContact O-N 3.24Å |
| 2705 | A | 86 | Confident | 85.4 | Confident | 3.33333 Ų | 3.33333 | 37 Ų | 37 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N2701 G2707 S2708 G2709 E2713 I2714 A2717 | N2701-A2705 WeakPolarHBondContact O-CB 3.27Å; N2701-A2705 PolarHBondContact O-N 3.21Å; A2705-G2707 VanDerWaalsContact C-N 3.33Å; A2705-G2707 PolarHBondContact O-N 3.45Å; A2705-S2708 WeakPolarHBondContact O-CB 3.39Å; A2705-S2708 PolarHBondContact O-N 3Å; A2705-S2708 VanDerWaalsContact O-N 3.14Å; A2705-S2708 PolarHBondContact O-OG 3.03Å; A2705-G2709 PolarHBondContact O-N 3.31Å; A2705-E2713 VanDerWaalsContact CB-C 3.46Å; A2705-E2713 HydrophobicContact CB-CB 3.73Å; A2705-E2713 WeakPolarHBondContact CB-O 3.45Å; A2705-I2714 HydrophobicContact CB-CG1 4.05Å; A2705-I2714 WeakPolarHBondContact O-CG1 3.31Å; A2705-A2717 HydrophobicContact CB-CB 4.18Å |
| 2706 | T | 86.4 | Confident | 85 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -39.5 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | A2702 N2703 N2704 S2708 G2709 A2818 V2831 | A2702-T2706 WeakPolarHBondContact O-CB 3.34Å; A2702-T2706 PolarHBondContact O-N 3.18Å; A2702-T2706 PolarHBondContact O-OG1 3.23Å; N2703-T2706 PolarHBondContact O-N 3.15Å; N2704-T2706 VanDerWaalsContact C-N 3.35Å; N2704-T2706 PolarHBondContact O-N 3.44Å; T2706-S2708 VanDerWaalsContact C-N 3.3Å; T2706-S2708 PolarHBondContact O-N 2.96Å; T2706-G2709 PolarHBondContact O-N 2.97Å; T2706-A2818 HydrophobicContact CG2-CB 3.42Å; T2706-A2818 VanDerWaalsContact CG2-CB 3.42Å; T2706-V2831 HydrophobicContact CG2-CB 4.37Å; T2706-V2831 HydrophobicContact CG2-CG2 3.98Å |
| 2707 | G | 82.5 | Confident | 84.9 | Confident | 47.3333 Ų | 47.3333 | 39 Ų | 39 | 49% | 0.488 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.2 | -28.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N2703 N2704 A2705 | N2703-G2707 PolarHBondContact O-N 3.36Å; N2704-G2707 PolarHBondContact O-N 3.12Å; A2705-G2707 VanDerWaalsContact C-N 3.33Å; A2705-G2707 PolarHBondContact O-N 3.45Å |
| 2708 | S | 82.2 | Confident | 84.9 | Confident | 46.6667 Ų | 46.6667 | 34.4 Ų | 34.4 | 33% | 0.326 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -76.9 | -25.4 | 177.6 | 82.6 | 0 | 0 | 0 | 0 | 113.8 | N2704 A2705 T2706 K2710 E2713 | N2704-S2708 PolarHBondContact O-N 3.24Å; A2705-S2708 WeakPolarHBondContact O-CB 3.39Å; A2705-S2708 PolarHBondContact O-N 3Å; A2705-S2708 VanDerWaalsContact O-N 3.14Å; A2705-S2708 PolarHBondContact O-OG 3.03Å; T2706-S2708 VanDerWaalsContact C-N 3.3Å; T2706-S2708 PolarHBondContact O-N 2.96Å; S2708-K2710 PolarHBondContact O-N 3.03Å; S2708-K2710 WeakPolarHBondContact OG-CB 3.42Å; S2708-K2710 PolarHBondContact OG-N 3.12Å; S2708-E2713 VanDerWaalsContact CB-OE2 3.26Å; S2708-E2713 WeakPolarHBondContact CB-OE2 3.48Å; S2708-E2713 PolarHBondContact OG-OE2 3.24Å |
| 2709 | G | 77.6 | Confident | 84.6 | Confident | 35.6667 Ų | 35.6667 | 35.7 Ų | 35.7 | 37% | 0.368 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 5.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A2705 T2706 | A2705-G2709 PolarHBondContact O-N 3.31Å; T2706-G2709 PolarHBondContact O-N 2.97Å |
| 2710 | K | 80 | Confident | 84.4 | Confident | 107.667 Ų | 107.667 | 38.2 Ų | 38.2 | 47% | 0.468 | 23% | 0.229 | S | C | . | . | trans | -83.5 | 121 | -178.2 | -62.8 | 172.8 | -170 | 164.9 | 0 | 111.6 | S2708 S2712 E2713 I2714 | S2708-K2710 PolarHBondContact O-N 3.03Å; S2708-K2710 WeakPolarHBondContact OG-CB 3.42Å; S2708-K2710 PolarHBondContact OG-N 3.12Å; K2710-S2712 VanDerWaalsContact C-N 3.29Å; K2710-S2712 PolarHBondContact O-N 3.24Å; K2710-E2713 HydrophobicContact CB-CB 4.26Å; K2710-E2713 HydrophobicContact CB-CG 4.21Å; K2710-E2713 VanDerWaalsContact CD-CD 3.49Å; K2710-E2713 HydrophobicContact CD-CG 4.17Å; K2710-E2713 WeakPolarHBondContact CD-OE1 3.42Å; K2710-E2713 WeakPolarHBondContact CD-OE2 3.33Å; K2710-E2713 WeakPolarHBondContact CE-OE1 3.41Å; K2710-E2713 IonicContact NZ-OE1 3.7Å; K2710-E2713 PolarHBondContact NZ-OE1 3.15Å; K2710-E2713 IonicContact NZ-OE2 3.24Å; K2710-E2713 PolarHBondContact O-N 2.93Å; K2710-E2713 VanDerWaalsContact O-N 3.17Å; K2710-I2714 WeakPolarHBondContact O-CG1 3.31Å; K2710-I2714 PolarHBondContact O-N 2.94Å; K2710-I2714 VanDerWaalsContact O-N 3.11Å | ||
| 2711 | T | 79.5 | Confident | 84.5 | Confident | 34.6667 Ų | 34.6667 | 36.1 Ų | 36.1 | 21% | 0.213 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.8 | -40.9 | 178.8 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | E2631 V2634 I2714 G2715 L2819 | E2631-T2711 HydrophobicContact CG-CG2 3.79Å; V2634-T2711 WeakPolarHBondContact CG2-O 3.45Å; T2711-I2714 PolarHBondContact O-N 3.43Å; T2711-G2715 PolarHBondContact O-N 3.35Å; T2711-L2819 HydrophobicContact CG2-CD1 4.22Å |
| 2712 | S | 76.2 | Confident | 84.6 | Confident | 55.6667 Ų | 55.6667 | 34.8 Ų | 34.8 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 179.3 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | K2710 I2714 G2715 L2716 | K2710-S2712 VanDerWaalsContact C-N 3.29Å; K2710-S2712 PolarHBondContact O-N 3.24Å; S2712-I2714 VanDerWaalsContact C-N 3.33Å; S2712-G2715 PolarHBondContact O-N 3.11Å; S2712-L2716 WeakPolarHBondContact O-CB 3.47Å; S2712-L2716 WeakPolarHBondContact O-CG 3.37Å; S2712-L2716 PolarHBondContact O-N 3.32Å; S2712-L2716 VanDerWaalsContact O-N 3.1Å |
| 2713 | E | 83.6 | Confident | 84.4 | Confident | 65.3333 Ų | 65.3333 | 40.6 Ų | 40.6 | 31% | 0.305 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 176.9 | -67.4 | -179.7 | -165.7 | 0 | 0 | 110.9 | A2705 S2708 K2710 L2716 A2717 | A2705-E2713 VanDerWaalsContact CB-C 3.46Å; A2705-E2713 HydrophobicContact CB-CB 3.73Å; A2705-E2713 WeakPolarHBondContact CB-O 3.45Å; S2708-E2713 VanDerWaalsContact CB-OE2 3.26Å; S2708-E2713 WeakPolarHBondContact CB-OE2 3.48Å; S2708-E2713 PolarHBondContact OG-OE2 3.24Å; K2710-E2713 HydrophobicContact CB-CB 4.26Å; K2710-E2713 HydrophobicContact CB-CG 4.21Å; K2710-E2713 VanDerWaalsContact CD-CD 3.49Å; K2710-E2713 HydrophobicContact CD-CG 4.17Å; K2710-E2713 WeakPolarHBondContact CD-OE1 3.42Å; K2710-E2713 WeakPolarHBondContact CD-OE2 3.33Å; K2710-E2713 WeakPolarHBondContact CE-OE1 3.41Å; K2710-E2713 IonicContact NZ-OE1 3.7Å; K2710-E2713 PolarHBondContact NZ-OE1 3.15Å; K2710-E2713 IonicContact NZ-OE2 3.24Å; K2710-E2713 PolarHBondContact O-N 2.93Å; K2710-E2713 VanDerWaalsContact O-N 3.17Å; E2713-L2716 WeakPolarHBondContact O-CB 3.45Å; E2713-L2716 PolarHBondContact O-N 3.28Å; E2713-A2717 WeakPolarHBondContact O-CB 3.3Å; E2713-A2717 PolarHBondContact O-N 3.2Å |
| 2714 | I | 85.9 | Confident | 84.4 | Confident | 3.66667 Ų | 3.66667 | 39.4 Ų | 39.4 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 177.3 | -67.7 | 169.3 | 0 | 0 | 0 | 110.8 | V2634 L2638 A2705 K2710 T2711 S2712 A2717 G2718 M2815 L2819 | V2634-I2714 HydrophobicContact CG1-CB 4.39Å; V2634-I2714 HydrophobicContact CG1-CG2 3.92Å; L2638-I2714 HydrophobicContact CD1-CG2 3.96Å; A2705-I2714 HydrophobicContact CB-CG1 4.05Å; A2705-I2714 WeakPolarHBondContact O-CG1 3.31Å; K2710-I2714 WeakPolarHBondContact O-CG1 3.31Å; K2710-I2714 PolarHBondContact O-N 2.94Å; K2710-I2714 VanDerWaalsContact O-N 3.11Å; T2711-I2714 PolarHBondContact O-N 3.43Å; S2712-I2714 VanDerWaalsContact C-N 3.33Å; I2714-A2717 PolarHBondContact O-N 3.09Å; I2714-G2718 PolarHBondContact O-N 3.11Å; I2714-G2718 VanDerWaalsContact O-N 3.12Å; I2714-M2815 HydrophobicContact CG2-CE 3.86Å; I2714-M2815 WeakPolarHBondContact O-CE 3.49Å; I2714-L2819 HydrophobicContact CD1-CD1 3.78Å; I2714-L2819 HydrophobicContact CG2-CD1 4.5Å |
| 2715 | G | 82.3 | Confident | 84.6 | Confident | 6.66667 Ų | 6.66667 | 35.2 Ų | 35.2 | 7% | 0.069 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | T2711 S2712 A2717 G2718 D2719 | T2711-G2715 PolarHBondContact O-N 3.35Å; S2712-G2715 PolarHBondContact O-N 3.11Å; G2715-A2717 VanDerWaalsContact C-N 3.34Å; G2715-A2717 PolarHBondContact O-N 3.23Å; G2715-G2718 PolarHBondContact O-N 3.2Å; G2715-G2718 VanDerWaalsContact O-N 3.16Å; G2715-D2719 PolarHBondContact O-N 3.11Å; G2715-D2719 VanDerWaalsContact O-N 3.15Å |
| 2716 | L | 83.5 | Confident | 84.6 | Confident | 85 Ų | 85 | 37.7 Ų | 37.7 | 45% | 0.445 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 175.4 | -79.9 | 169.1 | 0 | 0 | 0 | 112.5 | S2712 E2713 G2718 D2719 M2720 | S2712-L2716 WeakPolarHBondContact O-CB 3.47Å; S2712-L2716 WeakPolarHBondContact O-CG 3.37Å; S2712-L2716 PolarHBondContact O-N 3.32Å; S2712-L2716 VanDerWaalsContact O-N 3.1Å; E2713-L2716 WeakPolarHBondContact O-CB 3.45Å; E2713-L2716 PolarHBondContact O-N 3.28Å; L2716-G2718 VanDerWaalsContact C-N 3.34Å; L2716-D2719 PolarHBondContact O-N 3.06Å; L2716-M2720 WeakPolarHBondContact O-CG 3.47Å; L2716-M2720 PolarHBondContact O-N 3.11Å; L2716-M2720 VanDerWaalsContact O-N 3.07Å |
| 2717 | A | 87.5 | Confident | 84.5 | Confident | 2.33333 Ų | 2.33333 | 40 Ų | 40 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2702 A2705 E2713 I2714 G2715 D2719 M2720 I2721 M2815 | A2702-A2717 VanDerWaalsContact CA-CB 3.48Å; A2702-A2717 HydrophobicContact CB-CB 3.9Å; A2705-A2717 HydrophobicContact CB-CB 4.18Å; E2713-A2717 WeakPolarHBondContact O-CB 3.3Å; E2713-A2717 PolarHBondContact O-N 3.2Å; I2714-A2717 PolarHBondContact O-N 3.09Å; G2715-A2717 VanDerWaalsContact C-N 3.34Å; G2715-A2717 PolarHBondContact O-N 3.23Å; A2717-D2719 PolarHBondContact O-N 3.5Å; A2717-M2720 WeakPolarHBondContact O-CB 3.35Å; A2717-M2720 PolarHBondContact O-N 3.09Å; A2717-I2721 WeakPolarHBondContact O-CG1 3.32Å; A2717-I2721 PolarHBondContact O-N 3.02Å; A2717-M2815 HydrophobicContact CB-CE 3.99Å |
| 2718 | G | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58 | -46.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2641 I2714 G2715 L2716 M2720 I2721 R2722 | I2641-G2718 VanDerWaalsContact CD1-C 3.48Å; I2641-G2718 WeakPolarHBondContact CD1-O 3.46Å; I2714-G2718 PolarHBondContact O-N 3.11Å; I2714-G2718 VanDerWaalsContact O-N 3.12Å; G2715-G2718 PolarHBondContact O-N 3.2Å; G2715-G2718 VanDerWaalsContact O-N 3.16Å; L2716-G2718 VanDerWaalsContact C-N 3.34Å; G2718-M2720 VanDerWaalsContact C-N 3.31Å; G2718-M2720 PolarHBondContact O-N 3.21Å; G2718-I2721 PolarHBondContact O-N 3.22Å; G2718-R2722 PolarHBondContact O-N 3.03Å |
| 2719 | D | 82.3 | Confident | 85.1 | Confident | 27.6667 Ų | 27.6667 | 35.8 Ų | 35.8 | 15% | 0.148 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -27.2 | 176.4 | -95 | -39.3 | 0 | 0 | 0 | 113.7 | R2407 G2715 L2716 A2717 R2722 R2723 | R2407-D2719 IonicContact CZ-OD2 3.42Å; R2407-D2719 IonicContact NH2-OD2 3.4Å; R2407-D2719 PolarHBondContact NH2-OD2 3.35Å; G2715-D2719 PolarHBondContact O-N 3.11Å; G2715-D2719 VanDerWaalsContact O-N 3.15Å; L2716-D2719 PolarHBondContact O-N 3.06Å; A2717-D2719 PolarHBondContact O-N 3.5Å; D2719-R2722 IonicContact OD1-CZ 3.61Å; D2719-R2722 IonicContact OD1-NE 3.19Å; D2719-R2722 PolarHBondContact OD1-NE 2.84Å; D2719-R2722 IonicContact OD1-NH2 3.26Å; D2719-R2722 PolarHBondContact OD1-NH2 3.24Å; D2719-R2723 WeakPolarHBondContact O-CG 3.31Å; D2719-R2723 PolarHBondContact O-N 3.11Å; D2719-R2723 VanDerWaalsContact O-N 3.15Å; D2719-R2723 PolarHBondContact O-NE 3.24Å |
| 2720 | M | 87 | Confident | 85.3 | Confident | 53.3333 Ų | 53.3333 | 36.7 Ų | 36.7 | 26% | 0.263 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.8 | -44.5 | 170.3 | -71.8 | -174.2 | 68.1 | 0 | 0 | 111.3 | Q2697 A2698 N2701 L2716 A2717 G2718 R2722 R2723 A2724 | Q2697-M2720 HydrophobicContact CG-CE 4.42Å; A2698-M2720 HydrophobicContact CB-CB 3.9Å; N2701-M2720 HydrophobicContact CB-SD 4.36Å; N2701-M2720 VanDerWaalsContact ND2-CE 3.33Å; N2701-M2720 WeakPolarHBondContact ND2-CE 3.33Å; N2701-M2720 PolarHBondContact ND2-SD 3.21Å; L2716-M2720 WeakPolarHBondContact O-CG 3.47Å; L2716-M2720 PolarHBondContact O-N 3.11Å; L2716-M2720 VanDerWaalsContact O-N 3.07Å; A2717-M2720 WeakPolarHBondContact O-CB 3.35Å; A2717-M2720 PolarHBondContact O-N 3.09Å; G2718-M2720 VanDerWaalsContact C-N 3.31Å; G2718-M2720 PolarHBondContact O-N 3.21Å; M2720-R2722 VanDerWaalsContact C-N 3.33Å; M2720-R2722 PolarHBondContact O-N 3.17Å; M2720-R2723 PolarHBondContact O-N 3.18Å; M2720-A2724 VanDerWaalsContact O-CB 3.29Å; M2720-A2724 WeakPolarHBondContact O-CB 3.37Å; M2720-A2724 PolarHBondContact O-N 3.06Å |
| 2721 | I | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 176.6 | -71.8 | 166.4 | 0 | 0 | 0 | 110.7 | L2645 A2698 A2702 A2717 G2718 R2723 A2724 A2725 L2808 L2811 V2812 M2815 | L2645-I2721 HydrophobicContact CD1-CG2 4.03Å; L2645-I2721 HydrophobicContact CD2-CG2 4.42Å; A2698-I2721 HydrophobicContact CB-CG1 3.98Å; A2702-I2721 HydrophobicContact CB-CD1 3.78Å; A2717-I2721 WeakPolarHBondContact O-CG1 3.32Å; A2717-I2721 PolarHBondContact O-N 3.02Å; G2718-I2721 PolarHBondContact O-N 3.22Å; I2721-R2723 PolarHBondContact O-N 3.23Å; I2721-A2724 PolarHBondContact O-N 3.14Å; I2721-A2725 WeakPolarHBondContact O-CB 3.34Å; I2721-A2725 PolarHBondContact O-N 3.05Å; I2721-L2808 HydrophobicContact CG1-CD2 4.33Å; I2721-L2808 HydrophobicContact CG2-CB 4.27Å; I2721-L2808 HydrophobicContact CG2-CD1 4.32Å; I2721-L2808 HydrophobicContact CG2-CD2 3.98Å; I2721-L2808 HydrophobicContact CG2-CG 4.42Å; I2721-L2811 HydrophobicContact CD1-CD2 3.58Å; I2721-V2812 HydrophobicContact CB-CG2 4.45Å; I2721-V2812 HydrophobicContact CD1-CG2 3.72Å; I2721-V2812 HydrophobicContact CG2-CG2 3.88Å; I2721-M2815 HydrophobicContact CD1-SD 3.95Å |
| 2722 | R | 89.4 | Confident | 85.8 | Confident | 30.6667 Ų | 30.6667 | 31.5 Ų | 31.5 | 12% | 0.116 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.9 | -52 | 178.2 | -174 | -174.2 | 59.9 | 75.1 | -3.1 | 111.7 | I2641 I2644 G2718 D2719 M2720 A2724 A2725 E2726 | I2641-R2722 HydrophobicContact CG1-CB 4.26Å; I2641-R2722 HydrophobicContact CG2-CB 4.3Å; I2644-R2722 HydrophobicContact CD1-CG 4.25Å; I2644-R2722 HydrophobicContact CG2-CG 4.4Å; G2718-R2722 PolarHBondContact O-N 3.03Å; D2719-R2722 IonicContact OD1-CZ 3.61Å; D2719-R2722 IonicContact OD1-NE 3.19Å; D2719-R2722 PolarHBondContact OD1-NE 2.84Å; D2719-R2722 IonicContact OD1-NH2 3.26Å; D2719-R2722 PolarHBondContact OD1-NH2 3.24Å; M2720-R2722 VanDerWaalsContact C-N 3.33Å; M2720-R2722 PolarHBondContact O-N 3.17Å; R2722-A2724 PolarHBondContact O-N 3.39Å; R2722-A2725 PolarHBondContact O-N 3.28Å; R2722-E2726 VanDerWaalsContact CG-OE1 3.29Å; R2722-E2726 WeakPolarHBondContact CG-OE1 3.36Å; R2722-E2726 IonicContact CZ-OE1 2.72Å; R2722-E2726 IonicContact CZ-OE2 3.64Å; R2722-E2726 VanDerWaalsContact NH1-CD 3.28Å; R2722-E2726 IonicContact NH1-OE1 3.12Å; R2722-E2726 PolarHBondContact NH1-OE1 3.14Å; R2722-E2726 IonicContact NH1-OE2 3.22Å; R2722-E2726 PolarHBondContact NH1-OE2 3.19Å; R2722-E2726 WeakPolarHBondContact O-CB 3.35Å; R2722-E2726 WeakPolarHBondContact O-CG 3.43Å; R2722-E2726 PolarHBondContact O-N 3.01Å; R2722-E2726 VanDerWaalsContact O-N 3.09Å |
| 2723 | R | 85.3 | Confident | 86.2 | Confident | 122 Ų | 122 | 29.4 Ų | 29.4 | 46% | 0.46 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.5 | -42 | 179.3 | -75 | 179.6 | -72.8 | 166.7 | -2.1 | 112.6 | D2719 M2720 I2721 A2725 E2726 E2727 | D2719-R2723 WeakPolarHBondContact O-CG 3.31Å; D2719-R2723 PolarHBondContact O-N 3.11Å; D2719-R2723 VanDerWaalsContact O-N 3.15Å; D2719-R2723 PolarHBondContact O-NE 3.24Å; M2720-R2723 PolarHBondContact O-N 3.18Å; I2721-R2723 PolarHBondContact O-N 3.23Å; R2723-A2725 VanDerWaalsContact C-N 3.32Å; R2723-A2725 PolarHBondContact O-N 2.91Å; R2723-E2726 PolarHBondContact O-N 3.43Å; R2723-E2727 VanDerWaalsContact O-CA 3.28Å; R2723-E2727 WeakPolarHBondContact O-CA 3.41Å; R2723-E2727 VanDerWaalsContact O-CB 3.31Å; R2723-E2727 WeakPolarHBondContact O-CB 3.43Å; R2723-E2727 PolarHBondContact O-N 3.02Å |
| 2724 | A | 89.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 6% | 0.058 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67 | -33.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A2694 I2695 A2698 M2720 I2721 R2722 E2727 L2728 | A2694-A2724 HydrophobicContact CB-CB 4.37Å; I2695-A2724 HydrophobicContact CG1-CB 3.74Å; A2698-A2724 HydrophobicContact CB-CB 4.28Å; M2720-A2724 VanDerWaalsContact O-CB 3.29Å; M2720-A2724 WeakPolarHBondContact O-CB 3.37Å; M2720-A2724 PolarHBondContact O-N 3.06Å; I2721-A2724 PolarHBondContact O-N 3.14Å; R2722-A2724 PolarHBondContact O-N 3.39Å; A2724-E2727 WeakPolarHBondContact O-CA 3.27Å; A2724-L2728 PolarHBondContact O-N 3.22Å; A2724-L2728 VanDerWaalsContact O-N 3.07Å |
| 2725 | A | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73.1 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2645 L2648 I2721 R2722 R2723 E2727 L2728 V2729 I2805 L2808 | L2645-A2725 HydrophobicContact CD2-CB 3.44Å; L2645-A2725 VanDerWaalsContact CD2-CB 3.42Å; L2648-A2725 HydrophobicContact CD1-CB 3.94Å; I2721-A2725 WeakPolarHBondContact O-CB 3.34Å; I2721-A2725 PolarHBondContact O-N 3.05Å; R2722-A2725 PolarHBondContact O-N 3.28Å; R2723-A2725 VanDerWaalsContact C-N 3.32Å; R2723-A2725 PolarHBondContact O-N 2.91Å; A2725-E2727 VanDerWaalsContact C-N 3.31Å; A2725-E2727 PolarHBondContact O-N 2.95Å; A2725-L2728 PolarHBondContact O-N 3Å; A2725-V2729 WeakPolarHBondContact O-CG2 3.32Å; A2725-V2729 PolarHBondContact O-N 3.32Å; A2725-I2805 HydrophobicContact CB-CG1 4.45Å; A2725-L2808 HydrophobicContact CB-CD1 4.19Å |
| 2726 | E | 86.1 | Confident | 85.7 | Confident | 55.6667 Ų | 55.6667 | 26 Ų | 26 | 26% | 0.26 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 173.7 | -73.6 | 169 | -163.8 | 0 | 0 | 111.2 | R2514 L2648 R2722 R2723 V2729 R2730 | R2514-E2726 IonicContact CZ-OE2 3.11Å; R2514-E2726 IonicContact NH1-OE1 2.65Å; R2514-E2726 IonicContact NH1-OE2 2.67Å; R2514-E2726 IonicContact NH2-OE2 3.6Å; R2514-E2726 PolarHBondContact NH2-OE2 3.46Å; L2648-E2726 HydrophobicContact CD1-CG 4.25Å; R2722-E2726 VanDerWaalsContact CG-OE1 3.29Å; R2722-E2726 WeakPolarHBondContact CG-OE1 3.36Å; R2722-E2726 IonicContact CZ-OE1 2.72Å; R2722-E2726 IonicContact CZ-OE2 3.64Å; R2722-E2726 VanDerWaalsContact NH1-CD 3.28Å; R2722-E2726 IonicContact NH1-OE1 3.12Å; R2722-E2726 PolarHBondContact NH1-OE1 3.14Å; R2722-E2726 IonicContact NH1-OE2 3.22Å; R2722-E2726 PolarHBondContact NH1-OE2 3.19Å; R2722-E2726 WeakPolarHBondContact O-CB 3.35Å; R2722-E2726 WeakPolarHBondContact O-CG 3.43Å; R2722-E2726 PolarHBondContact O-N 3.01Å; R2722-E2726 VanDerWaalsContact O-N 3.09Å; R2723-E2726 PolarHBondContact O-N 3.43Å; E2726-V2729 PolarHBondContact O-N 3.5Å; E2726-R2730 PolarHBondContact O-N 3.26Å |
| 2727 | E | 83.7 | Confident | 85.5 | Confident | 54 Ų | 54 | 25.2 Ų | 25.2 | 25% | 0.252 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -35.7 | -68.4 | 157 | -149.9 | 72.1 | -156.5 | 0 | 0 | 114.7 | R2723 A2724 A2725 V2729 R2730 R2731 | R2723-E2727 VanDerWaalsContact O-CA 3.28Å; R2723-E2727 WeakPolarHBondContact O-CA 3.41Å; R2723-E2727 VanDerWaalsContact O-CB 3.31Å; R2723-E2727 WeakPolarHBondContact O-CB 3.43Å; R2723-E2727 PolarHBondContact O-N 3.02Å; A2724-E2727 WeakPolarHBondContact O-CA 3.27Å; A2725-E2727 VanDerWaalsContact C-N 3.31Å; A2725-E2727 PolarHBondContact O-N 2.95Å; E2727-V2729 VanDerWaalsContact C-N 3.3Å; E2727-V2729 PolarHBondContact O-N 3.2Å; E2727-R2730 PolarHBondContact O-N 3.36Å; E2727-R2730 IonicContact OE1-NH1 3.34Å; E2727-R2730 PolarHBondContact OE1-NH1 3.02Å; E2727-R2730 VanDerWaalsContact OE1-NH1 3.09Å; E2727-R2730 IonicContact OE2-CZ 3.53Å; E2727-R2730 IonicContact OE2-NH1 3.12Å; E2727-R2730 PolarHBondContact OE2-NH1 3.33Å; E2727-R2730 IonicContact OE2-NH2 2.9Å; E2727-R2730 PolarHBondContact OE2-NH2 3.2Å; E2727-R2731 HydrophobicContact CG-CG 4.22Å; E2727-R2731 WeakPolarHBondContact O-CB 3.36Å; E2727-R2731 WeakPolarHBondContact O-CG 3.49Å; E2727-R2731 PolarHBondContact O-N 3.33Å; E2727-R2731 WeakPolarHBondContact OE1-CG 3.39Å; E2727-R2731 IonicContact OE1-CZ 3.23Å; E2727-R2731 IonicContact OE1-NE 3.23Å; E2727-R2731 PolarHBondContact OE1-NE 3.3Å; E2727-R2731 IonicContact OE1-NH2 3.43Å; E2727-R2731 PolarHBondContact OE1-NH2 3.27Å; E2727-R2731 VanDerWaalsContact OE1-NH2 3.15Å |
| 2728 | L | 89.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | -179.9 | 174.1 | 65.1 | 0 | 0 | 0 | 112.3 | L2688 A2691 I2695 A2724 A2725 R2730 R2731 L2732 T2804 I2805 I2845 | L2688-L2728 HydrophobicContact CD1-CD1 3.62Å; L2688-L2728 HydrophobicContact CD2-CD1 3.87Å; A2691-L2728 HydrophobicContact CB-CB 4.24Å; A2691-L2728 HydrophobicContact CB-CD1 4.07Å; I2695-L2728 HydrophobicContact CD1-CB 3.8Å; I2695-L2728 HydrophobicContact CD1-CD2 3.54Å; I2695-L2728 VanDerWaalsContact CD1-CD2 3.45Å; I2695-L2728 HydrophobicContact CD1-CG 4.18Å; A2724-L2728 PolarHBondContact O-N 3.22Å; A2724-L2728 VanDerWaalsContact O-N 3.07Å; A2725-L2728 PolarHBondContact O-N 3Å; L2728-R2730 VanDerWaalsContact C-N 3.31Å; L2728-R2730 PolarHBondContact O-N 3.19Å; L2728-R2731 PolarHBondContact O-N 2.85Å; L2728-L2732 WeakPolarHBondContact O-CB 3.37Å; L2728-L2732 PolarHBondContact O-N 2.96Å; L2728-T2804 HydrophobicContact CD2-CG2 4.23Å; L2728-I2805 HydrophobicContact CD2-CD1 4.41Å; L2728-I2805 HydrophobicContact CD2-CG1 4.47Å; L2728-I2845 HydrophobicContact CD1-CD1 4.12Å; L2728-I2845 HydrophobicContact CD1-CG2 4.39Å; L2728-I2845 HydrophobicContact CD2-CD1 3.9Å |
| 2729 | V | 88.1 | Confident | 84.4 | Confident | 4.33333 Ų | 4.33333 | 26.7 Ų | 26.7 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | -177.5 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | L2648 L2652 W2655 A2725 E2726 E2727 H2733 I2805 | L2648-V2729 HydrophobicContact CB-CG2 4.42Å; L2648-V2729 HydrophobicContact CD2-CG2 4.22Å; L2652-V2729 HydrophobicContact CD1-CG2 4.17Å; L2652-V2729 HydrophobicContact CD2-CG1 4.26Å; L2652-V2729 HydrophobicContact CD2-CG2 4.3Å; L2652-V2729 HydrophobicContact CG-CG2 4.22Å; W2655-V2729 HydrophobicContact CH2-CG1 3.89Å; W2655-V2729 WeakPolarHBondContact CH2-O 3.46Å; W2655-V2729 HydrophobicContact CZ2-CG1 3.93Å; A2725-V2729 WeakPolarHBondContact O-CG2 3.32Å; A2725-V2729 PolarHBondContact O-N 3.32Å; E2726-V2729 PolarHBondContact O-N 3.5Å; E2727-V2729 VanDerWaalsContact C-N 3.3Å; E2727-V2729 PolarHBondContact O-N 3.2Å; V2729-H2733 PolarHBondContact O-N 3.12Å; V2729-H2733 VanDerWaalsContact O-N 3.12Å; V2729-I2805 HydrophobicContact CG2-CD1 3.53Å; V2729-I2805 VanDerWaalsContact CG2-CD1 3.48Å |
| 2730 | R | 82.4 | Confident | 84.1 | Confident | 54 Ų | 54 | 25.9 Ų | 25.9 | 20% | 0.204 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | 179.4 | -150.8 | -174.6 | -29.3 | 90.8 | 7.9 | 112.3 | D2670 E2672 E2726 E2727 L2728 L2732 H2733 S2734 | D2670-R2730 WeakPolarHBondContact OD2-CD 3.22Å; D2670-R2730 WeakPolarHBondContact OD2-CG 3.37Å; E2672-R2730 VanDerWaalsContact OE2-CD 3.32Å; E2672-R2730 WeakPolarHBondContact OE2-CD 3.43Å; E2672-R2730 IonicContact OE2-NE 3.77Å; E2672-R2730 IonicContact OE2-NH1 3.62Å; E2726-R2730 PolarHBondContact O-N 3.26Å; E2727-R2730 PolarHBondContact O-N 3.36Å; E2727-R2730 IonicContact OE1-NH1 3.34Å; E2727-R2730 PolarHBondContact OE1-NH1 3.02Å; E2727-R2730 VanDerWaalsContact OE1-NH1 3.09Å; E2727-R2730 IonicContact OE2-CZ 3.53Å; E2727-R2730 IonicContact OE2-NH1 3.12Å; E2727-R2730 PolarHBondContact OE2-NH1 3.33Å; E2727-R2730 IonicContact OE2-NH2 2.9Å; E2727-R2730 PolarHBondContact OE2-NH2 3.2Å; L2728-R2730 VanDerWaalsContact C-N 3.31Å; L2728-R2730 PolarHBondContact O-N 3.19Å; R2730-L2732 PolarHBondContact O-N 3.27Å; R2730-H2733 WeakPolarHBondContact O-CB 3.5Å; R2730-H2733 PolarHBondContact O-N 3.35Å; R2730-S2734 PolarHBondContact O-N 3.27Å; R2730-S2734 PolarHBondContact O-OG 2.92Å |
| 2731 | R | 83 | Confident | 83.3 | Confident | 33.3333 Ų | 33.3333 | 27.7 Ų | 27.7 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.8 | -37.9 | 178.5 | -64.6 | -59.2 | 177.8 | -165.8 | -11.4 | 112.2 | E2676 E2727 L2728 S2734 V2735 | E2676-R2731 VanDerWaalsContact CD-NH1 3.29Å; E2676-R2731 IonicContact OE1-CZ 2.96Å; E2676-R2731 IonicContact OE1-NH1 3.6Å; E2676-R2731 PolarHBondContact OE1-NH1 3.25Å; E2676-R2731 IonicContact OE1-NH2 3.34Å; E2676-R2731 IonicContact OE2-NH1 3.14Å; E2676-R2731 PolarHBondContact OE2-NH1 3.21Å; E2676-R2731 VanDerWaalsContact OE2-NH1 3.1Å; E2727-R2731 HydrophobicContact CG-CG 4.22Å; E2727-R2731 WeakPolarHBondContact O-CB 3.36Å; E2727-R2731 WeakPolarHBondContact O-CG 3.49Å; E2727-R2731 PolarHBondContact O-N 3.33Å; E2727-R2731 WeakPolarHBondContact OE1-CG 3.39Å; E2727-R2731 IonicContact OE1-CZ 3.23Å; E2727-R2731 IonicContact OE1-NE 3.23Å; E2727-R2731 PolarHBondContact OE1-NE 3.3Å; E2727-R2731 IonicContact OE1-NH2 3.43Å; E2727-R2731 PolarHBondContact OE1-NH2 3.27Å; E2727-R2731 VanDerWaalsContact OE1-NH2 3.15Å; L2728-R2731 PolarHBondContact O-N 2.85Å; R2731-S2734 PolarHBondContact O-N 3.18Å; R2731-V2735 WeakPolarHBondContact O-CB 3.34Å; R2731-V2735 VanDerWaalsContact O-CG2 3.28Å; R2731-V2735 WeakPolarHBondContact O-CG2 3.39Å; R2731-V2735 PolarHBondContact O-N 3.02Å |
| 2732 | L | 87.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 174.6 | -177.4 | 72.4 | 0 | 0 | 0 | 111.4 | L2652 W2655 L2688 L2728 R2730 S2734 V2735 L2736 A2797 I2798 S2801 | L2652-L2732 HydrophobicContact CD2-CD2 3.74Å; W2655-L2732 HydrophobicContact CE3-CD2 4.31Å; W2655-L2732 HydrophobicContact CZ3-CB 4.41Å; W2655-L2732 HydrophobicContact CZ3-CD2 3.74Å; W2655-L2732 HydrophobicContact CZ3-CG 4.01Å; L2688-L2732 HydrophobicContact CD1-CB 4.19Å; L2688-L2732 HydrophobicContact CD1-CD1 4.11Å; L2688-L2732 HydrophobicContact CD2-CB 4.02Å; L2688-L2732 HydrophobicContact CD2-CD1 4Å; L2728-L2732 WeakPolarHBondContact O-CB 3.37Å; L2728-L2732 PolarHBondContact O-N 2.96Å; R2730-L2732 PolarHBondContact O-N 3.27Å; L2732-S2734 VanDerWaalsContact C-N 3.3Å; L2732-S2734 PolarHBondContact O-N 3.13Å; L2732-V2735 PolarHBondContact O-N 3.35Å; L2732-L2736 HydrophobicContact CD1-CD1 3.8Å; L2732-L2736 HydrophobicContact CD1-CD2 4.47Å; L2732-L2736 HydrophobicContact CD1-CG 4.01Å; L2732-L2736 HydrophobicContact CD2-CD1 4.5Å; L2732-L2736 HydrophobicContact CG-CD1 3.81Å; L2732-L2736 HydrophobicContact CG-CG 4.28Å; L2732-L2736 VanDerWaalsContact O-CB 3.3Å; L2732-L2736 WeakPolarHBondContact O-CB 3.41Å; L2732-L2736 WeakPolarHBondContact O-CG 3.45Å; L2732-L2736 PolarHBondContact O-N 3.13Å; L2732-A2797 HydrophobicContact CD1-CB 3.99Å; L2732-I2798 HydrophobicContact CD2-CG1 4.44Å; L2732-S2801 WeakPolarHBondContact CD2-OG 3.33Å |
| 2733 | H | 83.2 | Confident | 80.7 | Confident | 13.3333 Ų | 13.3333 | 31.2 Ų | 31.2 | 6% | 0.062 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -53.4 | -54.4 | 176.3 | -171.1 | -97.5 | 0 | 0 | 0 | 111.3 | W2655 T2664 V2729 R2730 V2735 L2736 Q2737 | W2655-H2733 HydrophobicContact CH2-CB 3.7Å; W2655-H2733 AromaticContact CH2-CD2 3.96Å; W2655-H2733 HydrophobicContact CZ2-CB 4.42Å; W2655-H2733 HydrophobicContact CZ3-CB 4.25Å; T2664-H2733 WeakPolarHBondContact CG2-NE2 3.42Å; V2729-H2733 PolarHBondContact O-N 3.12Å; V2729-H2733 VanDerWaalsContact O-N 3.12Å; R2730-H2733 WeakPolarHBondContact O-CB 3.5Å; R2730-H2733 PolarHBondContact O-N 3.35Å; H2733-V2735 PolarHBondContact O-N 3.35Å; H2733-L2736 PolarHBondContact O-N 3.18Å; H2733-Q2737 PolarHBondContact CE1-OE1 2.99Å; H2733-Q2737 PolarHBondContact ND1-OE1 2.97Å; H2733-Q2737 WeakPolarHBondContact O-CB 3.35Å; H2733-Q2737 PolarHBondContact O-N 3Å |
| 2734 | S | 76.3 | Confident | 78.8 | Confident | 2.66667 Ų | 2.66667 | 30.3 Ų | 30.3 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | -173.4 | -54.4 | 0 | 0 | 0 | 0 | 112.9 | R2730 R2731 L2732 T2738 | R2730-S2734 PolarHBondContact O-N 3.27Å; R2730-S2734 PolarHBondContact O-OG 2.92Å; R2731-S2734 PolarHBondContact O-N 3.18Å; L2732-S2734 VanDerWaalsContact C-N 3.3Å; L2732-S2734 PolarHBondContact O-N 3.13Å; S2734-T2738 VanDerWaalsContact O-CB 3.3Å; S2734-T2738 WeakPolarHBondContact O-CB 3.38Å; S2734-T2738 PolarHBondContact O-N 3.2Å; S2734-T2738 VanDerWaalsContact O-N 3.09Å; S2734-T2738 PolarHBondContact O-OG1 3.09Å |
| 2735 | V | 82.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.1 | -44.9 | 177.8 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | I2683 S2684 L2688 R2731 L2732 H2733 Q2737 T2738 S2739 L2852 | I2683-V2735 HydrophobicContact CG2-CB 4.39Å; I2683-V2735 HydrophobicContact CG2-CG2 3.73Å; S2684-V2735 WeakPolarHBondContact O-CG2 3.44Å; L2688-V2735 HydrophobicContact CB-CG2 4.4Å; L2688-V2735 HydrophobicContact CD1-CB 4.29Å; L2688-V2735 HydrophobicContact CD1-CG1 3.8Å; L2688-V2735 HydrophobicContact CG-CB 4.34Å; L2688-V2735 HydrophobicContact CG-CG1 4.27Å; L2688-V2735 HydrophobicContact CG-CG2 4.34Å; R2731-V2735 WeakPolarHBondContact O-CB 3.34Å; R2731-V2735 VanDerWaalsContact O-CG2 3.28Å; R2731-V2735 WeakPolarHBondContact O-CG2 3.39Å; R2731-V2735 PolarHBondContact O-N 3.02Å; L2732-V2735 PolarHBondContact O-N 3.35Å; H2733-V2735 PolarHBondContact O-N 3.35Å; V2735-Q2737 PolarHBondContact O-N 3.06Å; V2735-T2738 PolarHBondContact O-N 3.07Å; V2735-S2739 VanDerWaalsContact O-CB 3.31Å; V2735-S2739 WeakPolarHBondContact O-CB 3.42Å; V2735-S2739 PolarHBondContact O-N 3.22Å; V2735-S2739 PolarHBondContact O-OG 2.91Å; V2735-L2852 HydrophobicContact CG1-CD1 3.62Å |
| 2736 | L | 83.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 179.6 | -68.1 | -178.8 | 0 | 0 | 0 | 111.7 | L2662 L2732 H2733 T2738 S2739 L2740 C2794 A2797 I2798 L2852 | L2662-L2736 HydrophobicContact CD1-CD1 4.45Å; L2662-L2736 HydrophobicContact CD2-CB 4.26Å; L2732-L2736 HydrophobicContact CD1-CD1 3.8Å; L2732-L2736 HydrophobicContact CD1-CD2 4.47Å; L2732-L2736 HydrophobicContact CD1-CG 4.01Å; L2732-L2736 HydrophobicContact CD2-CD1 4.5Å; L2732-L2736 HydrophobicContact CG-CD1 3.81Å; L2732-L2736 HydrophobicContact CG-CG 4.28Å; L2732-L2736 VanDerWaalsContact O-CB 3.3Å; L2732-L2736 WeakPolarHBondContact O-CB 3.41Å; L2732-L2736 WeakPolarHBondContact O-CG 3.45Å; L2732-L2736 PolarHBondContact O-N 3.13Å; H2733-L2736 PolarHBondContact O-N 3.18Å; L2736-T2738 VanDerWaalsContact C-N 3.34Å; L2736-T2738 PolarHBondContact O-N 3.03Å; L2736-S2739 PolarHBondContact O-N 2.9Å; L2736-L2740 WeakPolarHBondContact O-CB 3.34Å; L2736-L2740 WeakPolarHBondContact O-CD1 3.45Å; L2736-L2740 VanDerWaalsContact O-CG 3.28Å; L2736-L2740 WeakPolarHBondContact O-CG 3.39Å; L2736-L2740 PolarHBondContact O-N 3.15Å; L2736-C2794 HydrophobicContact CD2-CB 3.8Å; L2736-A2797 HydrophobicContact CD2-CB 4.21Å; L2736-I2798 HydrophobicContact CD1-CD1 4.04Å; L2736-I2798 HydrophobicContact CD1-CG1 3.68Å; L2736-L2852 HydrophobicContact CD2-CD1 4.37Å |
| 2737 | Q | 78 | Confident | 70.6 | Confident | 68 Ų | 68 | 45.1 Ų | 45.1 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.8 | -170.3 | 169.5 | 4.2 | 0 | 0 | 111.7 | F2673 H2733 V2735 L2740 S2741 | F2673-Q2737 HydrophobicContact CD1-CG 4.4Å; F2673-Q2737 HydrophobicContact CE1-CB 4.38Å; F2673-Q2737 HydrophobicContact CE1-CG 4.04Å; F2673-Q2737 VanDerWaalsContact CE1-NE2 3.33Å; F2673-Q2737 VanDerWaalsContact CE1-OE1 3.26Å; F2673-Q2737 HydrophobicContact CE2-CB 4.2Å; F2673-Q2737 HydrophobicContact CE2-CG 4.29Å; F2673-Q2737 HydrophobicContact CZ-CB 4.09Å; F2673-Q2737 VanDerWaalsContact CZ-CD 3.48Å; F2673-Q2737 HydrophobicContact CZ-CG 3.68Å; H2733-Q2737 PolarHBondContact CE1-OE1 2.99Å; H2733-Q2737 PolarHBondContact ND1-OE1 2.97Å; H2733-Q2737 WeakPolarHBondContact O-CB 3.35Å; H2733-Q2737 PolarHBondContact O-N 3Å; V2735-Q2737 PolarHBondContact O-N 3.06Å; Q2737-L2740 PolarHBondContact O-N 3.33Å; Q2737-S2741 WeakPolarHBondContact O-CB 3.38Å; Q2737-S2741 PolarHBondContact O-N 3.14Å; Q2737-S2741 VanDerWaalsContact O-N 3.1Å; Q2737-S2741 PolarHBondContact O-OG 3.06Å |
| 2738 | T | 74.3 | Confident | 68 | Low | 31.6667 Ų | 31.6667 | 52.9 Ų | 52.9 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | I2683 S2734 V2735 L2736 L2740 S2741 S2742 | I2683-T2738 HydrophobicContact CB-CG2 4.41Å; I2683-T2738 WeakPolarHBondContact CD1-OG1 3.06Å; S2734-T2738 VanDerWaalsContact O-CB 3.3Å; S2734-T2738 WeakPolarHBondContact O-CB 3.38Å; S2734-T2738 PolarHBondContact O-N 3.2Å; S2734-T2738 VanDerWaalsContact O-N 3.09Å; S2734-T2738 PolarHBondContact O-OG1 3.09Å; V2735-T2738 PolarHBondContact O-N 3.07Å; L2736-T2738 VanDerWaalsContact C-N 3.34Å; L2736-T2738 PolarHBondContact O-N 3.03Å; T2738-L2740 VanDerWaalsContact C-N 3.34Å; T2738-L2740 PolarHBondContact O-N 3.28Å; T2738-S2741 WeakPolarHBondContact CA-OG 3.45Å; T2738-S2741 PolarHBondContact O-N 3.38Å; T2738-S2741 VanDerWaalsContact O-N 3.11Å; T2738-S2741 PolarHBondContact O-OG 3.03Å; T2738-S2742 PolarHBondContact O-N 3.45Å |
| 2739 | S | 77.4 | Confident | 65.1 | Low | 3.33333 Ų | 3.33333 | 59.9 Ų | 59.9 | 2% | 0.023 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 179.8 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | V2735 L2736 S2742 L2790 | V2735-S2739 VanDerWaalsContact O-CB 3.31Å; V2735-S2739 WeakPolarHBondContact O-CB 3.42Å; V2735-S2739 PolarHBondContact O-N 3.22Å; V2735-S2739 PolarHBondContact O-OG 2.91Å; L2736-S2739 PolarHBondContact O-N 2.9Å; S2739-S2742 PolarHBondContact O-N 2.81Å; S2739-S2742 PolarHBondContact O-OG 3.35Å; S2739-L2790 WeakPolarHBondContact O-CD2 3.3Å |
| 2740 | L | 77 | Confident | 62.3 | Low | 11.3333 Ų | 11.3333 | 64.7 Ų | 64.7 | 6% | 0.059 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 175.4 | -71.9 | 167.1 | 0 | 0 | 0 | 112.1 | V2657 L2662 L2736 Q2737 T2738 S2742 Y2787 L2790 | V2657-L2740 HydrophobicContact CG1-CD1 4.07Å; V2657-L2740 HydrophobicContact CG1-CD2 4.07Å; L2662-L2740 HydrophobicContact CB-CD1 3.88Å; L2736-L2740 WeakPolarHBondContact O-CB 3.34Å; L2736-L2740 WeakPolarHBondContact O-CD1 3.45Å; L2736-L2740 VanDerWaalsContact O-CG 3.28Å; L2736-L2740 WeakPolarHBondContact O-CG 3.39Å; L2736-L2740 PolarHBondContact O-N 3.15Å; Q2737-L2740 PolarHBondContact O-N 3.33Å; T2738-L2740 VanDerWaalsContact C-N 3.34Å; T2738-L2740 PolarHBondContact O-N 3.28Å; L2740-S2742 VanDerWaalsContact C-N 3.33Å; L2740-S2742 PolarHBondContact O-N 2.74Å; L2740-Y2787 PolarHBondContact O-OH 3.4Å; L2740-L2790 HydrophobicContact CD2-CD2 4.11Å; L2740-L2790 HydrophobicContact CD2-CG 4.25Å |
| 2741 | S | 69.5 | Low | 59.7 | Low | 89.3333 Ų | 89.3333 | 67.3 Ų | 67.3 | 63% | 0.625 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -74.5 | -24.8 | 177.8 | 73.6 | 0 | 0 | 0 | 0 | 114.5 | Q2737 T2738 V2743 | Q2737-S2741 WeakPolarHBondContact O-CB 3.38Å; Q2737-S2741 PolarHBondContact O-N 3.14Å; Q2737-S2741 VanDerWaalsContact O-N 3.1Å; Q2737-S2741 PolarHBondContact O-OG 3.06Å; T2738-S2741 WeakPolarHBondContact CA-OG 3.45Å; T2738-S2741 PolarHBondContact O-N 3.38Å; T2738-S2741 VanDerWaalsContact O-N 3.11Å; T2738-S2741 PolarHBondContact O-OG 3.03Å; S2741-V2743 VanDerWaalsContact C-N 3.29Å; S2741-V2743 PolarHBondContact O-N 3.08Å |
| 2742 | S | 65.9 | Low | 57.1 | Low | 70.3333 Ų | 70.3333 | 77.3 Ų | 77.3 | 49% | 0.492 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.7 | -20.5 | -177.8 | 67.4 | 0 | 0 | 0 | 0 | 113.9 | T2738 S2739 L2740 S2744 | T2738-S2742 PolarHBondContact O-N 3.45Å; S2739-S2742 PolarHBondContact O-N 2.81Å; S2739-S2742 PolarHBondContact O-OG 3.35Å; L2740-S2742 VanDerWaalsContact C-N 3.33Å; L2740-S2742 PolarHBondContact O-N 2.74Å; S2742-S2744 PolarHBondContact O-N 2.92Å |
| 2743 | V | 61.1 | Low | 54.4 | Low | 34.6667 Ų | 34.6667 | 86.7 Ų | 86.7 | 21% | 0.21 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -87.8 | 111.5 | 173.5 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | S2741 V2745 Y2787 L2790 | S2741-V2743 VanDerWaalsContact C-N 3.29Å; S2741-V2743 PolarHBondContact O-N 3.08Å; V2743-V2745 PolarHBondContact O-N 3.07Å; V2743-Y2787 VanDerWaalsContact C-OH 3.28Å; V2743-Y2787 HydrophobicContact CB-CD2 4.47Å; V2743-Y2787 HydrophobicContact CB-CE1 3.93Å; V2743-Y2787 HydrophobicContact CB-CE2 4.17Å; V2743-Y2787 HydrophobicContact CG1-CD1 4.34Å; V2743-Y2787 HydrophobicContact CG1-CD2 3.9Å; V2743-Y2787 HydrophobicContact CG1-CE1 3.9Å; V2743-Y2787 HydrophobicContact CG1-CE2 3.43Å; V2743-Y2787 VanDerWaalsContact CG1-CE2 3.44Å; V2743-Y2787 HydrophobicContact CG1-CG 4.38Å; V2743-Y2787 VanDerWaalsContact CG1-CZ 3.41Å; V2743-Y2787 WeakPolarHBondContact O-CE2 3.35Å; V2743-Y2787 PolarHBondContact O-OH 3.17Å; V2743-L2790 HydrophobicContact CG2-CD2 3.65Å |
| 2744 | S | 45.9 | Very low | 51.8 | Low | 103.333 Ų | 103.333 | 91.4 Ų | 91.4 | 72% | 0.723 | 50% | 0.504 | S | S | * | . | trans | -68.3 | 129.9 | -179.1 | 23.3 | 0 | 0 | 0 | 0 | 111.6 | S2742 P2746 Y2787 | S2742-S2744 PolarHBondContact O-N 2.92Å; S2744-P2746 VanDerWaalsContact O-CD 3.27Å; S2744-P2746 WeakPolarHBondContact O-CD 3.3Å; S2744-Y2787 VanDerWaalsContact C-OH 3.31Å; S2744-Y2787 PolarHBondContact O-OH 3.31Å | ||
| 2745 | V | 36 | Very low | 49.6 | Very low | 96 Ų | 96 | 97.3 Ų | 97.3 | 58% | 0.582 | 54% | 0.54 | S | S | * | . | trans | -77.5 | 115.8 | 176.6 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | V2743 K2747 Y2787 | V2743-V2745 PolarHBondContact O-N 3.07Å; V2745-K2747 VanDerWaalsContact C-N 3.27Å; V2745-K2747 HydrophobicContact CB-CG 4.35Å; V2745-K2747 HydrophobicContact CG1-CB 3.69Å; V2745-K2747 HydrophobicContact CG1-CD 3.75Å; V2745-K2747 HydrophobicContact CG1-CG 3.79Å; V2745-K2747 VanDerWaalsContact CG1-CG 3.43Å; V2745-K2747 PolarHBondContact O-N 2.97Å; V2745-K2747 VanDerWaalsContact O-N 3.08Å; V2745-Y2787 WeakPolarHBondContact CA-OH 3.46Å; V2745-Y2787 HydrophobicContact CG2-CE2 4.08Å; V2745-Y2787 WeakPolarHBondContact CG2-OH 3.42Å; V2745-Y2787 PolarHBondContact N-OH 3.16Å | ||
| 2746 | P | 29.1 | Very low | 47.2 | Very low | 110.667 Ų | 110.667 | 104.7 Ų | 104.7 | 72% | 0.719 | 58% | 0.58 | S | S | * | * | trans | -79 | 80.4 | 169.3 | 32.5 | -30.6 | 0 | 0 | 0 | 109.4 | S2744 Y2748 | S2744-P2746 VanDerWaalsContact O-CD 3.27Å; S2744-P2746 WeakPolarHBondContact O-CD 3.3Å; P2746-Y2748 PolarHBondContact O-N 3.35Å; P2746-Y2748 VanDerWaalsContact O-N 3.08Å | ||
| 2747 | K | 28.8 | Very low | 44.5 | Very low | 167.333 Ų | 167.333 | 110.2 Ų | 110.2 | 73% | 0.728 | 62% | 0.618 | S | S | * | * | trans | -74.6 | 78 | 172.8 | -88.2 | -174 | -178.7 | 179.5 | 0 | 110.6 | V2745 N2749 | V2745-K2747 VanDerWaalsContact C-N 3.27Å; V2745-K2747 HydrophobicContact CB-CG 4.35Å; V2745-K2747 HydrophobicContact CG1-CB 3.69Å; V2745-K2747 HydrophobicContact CG1-CD 3.75Å; V2745-K2747 HydrophobicContact CG1-CG 3.79Å; V2745-K2747 VanDerWaalsContact CG1-CG 3.43Å; V2745-K2747 PolarHBondContact O-N 2.97Å; V2745-K2747 VanDerWaalsContact O-N 3.08Å; K2747-N2749 PolarHBondContact O-N 3.39Å; K2747-N2749 VanDerWaalsContact O-N 3.16Å | ||
| 2748 | Y | 28.5 | Very low | 42.1 | Very low | 216.667 Ų | 216.667 | 111.8 Ų | 111.8 | 85% | 0.85 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -119.8 | 119.7 | 161.2 | -97.7 | -88.1 | 0 | 0 | 0 | 109 | P2746 A2750 | P2746-Y2748 PolarHBondContact O-N 3.35Å; P2746-Y2748 VanDerWaalsContact O-N 3.08Å; Y2748-A2750 PolarHBondContact O-N 3.1Å |
| 2749 | N | 28.5 | Very low | 40.1 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | trans | 60.8 | 67.7 | 175.6 | -61.8 | -27.7 | 0 | 0 | 0 | 116.9 | K2747 S2751 | K2747-N2749 PolarHBondContact O-N 3.39Å; K2747-N2749 VanDerWaalsContact O-N 3.16Å; N2749-S2751 PolarHBondContact O-N 3.41Å | ||
| 2750 | A | 28.9 | Very low | 37.9 | Very low | 105.667 Ų | 105.667 | 124.9 Ų | 124.9 | 87% | 0.873 | 70% | 0.704 | S | S | * | * | trans | -112.3 | 45.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y2748 | Y2748-A2750 PolarHBondContact O-N 3.1Š| ||
| 2751 | S | 28.6 | Very low | 35.5 | Very low | 107.667 Ų | 107.667 | 132.6 Ų | 132.6 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | -145.9 | 85 | 174.4 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | N2749 | N2749-S2751 PolarHBondContact O-N 3.41Š| ||
| 2752 | R | 28.5 | Very low | 33.6 | Very low | 244 Ų | 244 | 136.8 Ų | 136.8 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | 159.7 | 101.1 | 172.8 | -94.1 | 176.3 | -178 | 179.9 | 1.5 | 111.6 | ||||
| 2753 | E | 29.7 | Very low | 32 | Very low | 196.667 Ų | 196.667 | 140.1 Ų | 140.1 | 92% | 0.919 | 77% | 0.766 | S | S | * | * | -157.9 | 105 | 123.4 | -90.8 | 177.1 | -177.8 | 0 | 0 | 111.2 | |||||
| 2754 | S | 28.6 | Very low | 30.4 | Very low | 112.667 Ų | 112.667 | 146.2 Ų | 146.2 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -101 | 99.3 | 175 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2755 | T | 30.5 | Very low | 29.6 | Very low | 125.667 Ų | 125.667 | 146 Ų | 146 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | -169 | 129.8 | 146.6 | 33.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2756 | N | 32.1 | Very low | 29.4 | Very low | 156.333 Ų | 156.333 | 149.4 Ų | 149.4 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | 96.7 | 95.6 | 149.4 | -68 | -12.5 | 0 | 0 | 0 | 116.5 | ||||
| 2757 | S | 26.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -54.1 | 156.3 | 158.9 | -43 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2758 | S | 29.5 | Very low | 29.5 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | trans | 104 | 113.8 | 153 | 66.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2759 | N | 31.4 | Very low | 29.6 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | 136.9 | 121.1 | 135.1 | -75.2 | -25.5 | 0 | 0 | 0 | 113.6 | ||||
| 2760 | I | 31.4 | Very low | 29.7 | Very low | 161.333 Ų | 161.333 | 146.7 Ų | 146.7 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | -162.1 | 118.4 | 131.7 | -77 | 168 | 0 | 0 | 0 | 110.9 | ||||
| 2761 | Q | 27.4 | Very low | 29.8 | Very low | 173.667 Ų | 173.667 | 150.4 Ų | 150.4 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -141.6 | 119.7 | 148 | -168.4 | 170.7 | -18.4 | 0 | 0 | 111.8 | ||||
| 2762 | E | 28.7 | Very low | 29.9 | Very low | 176.333 Ų | 176.333 | 151.1 Ų | 151.1 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | 101.2 | 118.9 | 177.7 | -74.9 | 164.7 | -178.5 | 0 | 0 | 112.3 | ||||
| 2763 | V | 32.7 | Very low | 29.9 | Very low | 140.333 Ų | 140.333 | 143 Ų | 143 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | -159.4 | 115.4 | 94 | 169.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 2764 | L | 27.6 | Very low | 30 | Very low | 163.333 Ų | 163.333 | 140.3 Ų | 140.3 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -117.3 | 128.6 | 162.8 | -84.9 | 169.2 | 0 | 0 | 0 | 108.6 | ||||
| 2765 | S | 29.3 | Very low | 30 | Very low | 99.6667 Ų | 99.6667 | 143.1 Ų | 143.1 | 70% | 0.697 | 82% | 0.815 | S | S | * | * | trans | 117.9 | 142.5 | 158.1 | -26.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 2766 | N | 31.3 | Very low | 30 | Very low | 165.667 Ų | 165.667 | 144.1 Ų | 144.1 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | trans | 79.3 | 111.6 | 165.9 | -54.1 | -19.2 | 0 | 0 | 0 | 117 | ||||
| 2767 | G | 27.2 | Very low | 29.9 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | 176.6 | 108.4 | 139.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2768 | V | 32.5 | Very low | 30.1 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 138.6 | 157.7 | 155.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2769 | V | 30 | Very low | 30.1 | Very low | 120.667 Ų | 120.667 | 146.4 Ų | 146.4 | 73% | 0.731 | 82% | 0.815 | S | S | * | * | trans | -96.9 | 137.3 | 164.2 | 164.5 | 0 | 0 | 0 | 0 | 113.4 | E2771 | V2769-E2771 HydrophobicContact CG1-CG 4.42Š| ||
| 2770 | R | 31.7 | Very low | 30 | Very low | 243.667 Ų | 243.667 | 147.4 Ų | 147.4 | 92% | 0.919 | 82% | 0.82 | S | S | * | * | trans | 174.4 | 130.9 | 145.3 | -101.7 | 175.2 | -178.2 | 178 | -0.3 | 116.5 | ||||
| 2771 | E | 29.7 | Very low | 29.9 | Very low | 183.667 Ų | 183.667 | 144.7 Ų | 144.7 | 86% | 0.858 | 81% | 0.814 | S | S | * | * | trans | -82.3 | 147.1 | 174.5 | -55.6 | 157.7 | 130.3 | 0 | 0 | 112.4 | V2769 | V2769-E2771 HydrophobicContact CG1-CG 4.42Š| ||
| 2772 | S | 32.3 | Very low | 30.2 | Very low | 122.667 Ų | 122.667 | 142.3 Ų | 142.3 | 86% | 0.858 | 82% | 0.816 | S | S | * | * | trans | -164.8 | 128.2 | 137.8 | 54.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2773 | G | 28.7 | Very low | 30.7 | Very low | 72.6667 Ų | 72.6667 | 142.9 Ų | 142.9 | 75% | 0.749 | 82% | 0.819 | S | S | * | * | trans | -85.5 | 178.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2774 | T | 31.8 | Very low | 31.6 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | -154.4 | 148.8 | 106.4 | -38.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 2775 | E | 28.1 | Very low | 33.2 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 145.7 | -177.5 | -61 | 153.6 | 127.3 | 0 | 0 | 113.6 | ||||
| 2776 | N | 30.7 | Very low | 35.1 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | 173.3 | 108.1 | 131.1 | -86.6 | -33.1 | 0 | 0 | 0 | 111.5 | ||||
| 2777 | T | 30 | Very low | 37 | Very low | 117.333 Ų | 117.333 | 130.4 Ų | 130.4 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | 57.6 | 118.3 | 125.2 | 57.8 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 2778 | L | 30.6 | Very low | 39.3 | Very low | 163.667 Ų | 163.667 | 130.7 Ų | 130.7 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | trans | 70.8 | 111.8 | 137 | -104.9 | 108.3 | 0 | 0 | 0 | 115.4 | ||||
| 2779 | D | 29.7 | Very low | 41.6 | Very low | 141.667 Ų | 141.667 | 125.4 Ų | 125.4 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | trans | -156.9 | 117 | 138.3 | -132.2 | -24.9 | 0 | 0 | 0 | 110.5 | C2781 | D2779-C2781 VanDerWaalsContact C-N 3.29Å; D2779-C2781 PolarHBondContact O-N 3.3Å; D2779-C2781 VanDerWaalsContact O-N 3.12Å; D2779-C2781 PolarHBondContact OD1-SG 3.19Å | ||
| 2780 | D | 28.3 | Very low | 44.1 | Very low | 168.667 Ų | 168.667 | 119.7 Ų | 119.7 | 90% | 0.902 | 68% | 0.676 | S | S | * | * | trans | -60.4 | 80.2 | 167.3 | -84 | -28.1 | 0 | 0 | 0 | 110.9 | ||||
| 2781 | C | 29.2 | Very low | 46.6 | Very low | 105 Ų | 105 | 110.3 Ų | 110.3 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | trans | -105.3 | 117.4 | 167.3 | -82.5 | 0 | 0 | 0 | 0 | 110 | D2779 E2783 | D2779-C2781 VanDerWaalsContact C-N 3.29Å; D2779-C2781 PolarHBondContact O-N 3.3Å; D2779-C2781 VanDerWaalsContact O-N 3.12Å; D2779-C2781 PolarHBondContact OD1-SG 3.19Å; C2781-E2783 PolarHBondContact O-N 3.11Å; C2781-E2783 VanDerWaalsContact O-N 3.16Å | ||
| 2782 | S | 34.3 | Very low | 49.2 | Very low | 122.333 Ų | 122.333 | 108.5 Ų | 108.5 | 86% | 0.855 | 63% | 0.632 | S | S | * | * | trans | -63.5 | 114.4 | 176 | 1.7 | 0 | 0 | 0 | 0 | 110.8 | S2784 | S2782-S2784 PolarHBondContact O-N 2.98Š| ||
| 2783 | E | 38.1 | Very low | 51.7 | Low | 188.667 Ų | 188.667 | 104.1 Ų | 104.1 | 88% | 0.882 | 60% | 0.598 | S | S | * | * | trans | -63.8 | 106.9 | 178 | -74.8 | -167.7 | 134.9 | 0 | 0 | 111.2 | C2781 I2785 | C2781-E2783 PolarHBondContact O-N 3.11Å; C2781-E2783 VanDerWaalsContact O-N 3.16Å; E2783-I2785 PolarHBondContact O-N 3.11Å; E2783-I2785 VanDerWaalsContact O-N 3.09Å | ||
| 2784 | S | 51.8 | Low | 54.5 | Low | 116.333 Ų | 116.333 | 100.7 Ų | 100.7 | 81% | 0.814 | 56% | 0.563 | S | S | * | * | trans | -68.8 | 104 | 169.4 | 60.5 | 0 | 0 | 0 | 0 | 109.8 | S2782 S2786 | S2782-S2784 PolarHBondContact O-N 2.98Å; S2784-S2786 PolarHBondContact O-N 3.34Å; S2784-S2786 VanDerWaalsContact O-N 3.13Å | ||
| 2785 | I | 61.4 | Low | 57.2 | Low | 57.3333 Ų | 57.3333 | 97 Ų | 97 | 29% | 0.294 | 54% | 0.536 | S | S | . | . | trans | -58.1 | 119.2 | 179.1 | -61.1 | 176.3 | 0 | 0 | 0 | 110 | E2783 A2789 L2790 I2793 S2851 P2853 | E2783-I2785 PolarHBondContact O-N 3.11Å; E2783-I2785 VanDerWaalsContact O-N 3.09Å; I2785-A2789 HydrophobicContact CG2-CB 4.05Å; I2785-L2790 HydrophobicContact CG2-CB 4.01Å; I2785-I2793 HydrophobicContact CG2-CD1 4.29Å; I2785-S2851 VanDerWaalsContact CD1-O 3.29Å; I2785-S2851 WeakPolarHBondContact CD1-O 3.36Å; I2785-P2853 HydrophobicContact CD1-CG 4.24Å | ||
| 2786 | S | 69.3 | Low | 60.1 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | trans | -67 | 144.5 | 175.7 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | S2784 P2788 A2789 L2790 | S2784-S2786 PolarHBondContact O-N 3.34Å; S2784-S2786 VanDerWaalsContact O-N 3.13Å; S2786-P2788 VanDerWaalsContact C-CD 3.45Å; S2786-A2789 WeakPolarHBondContact O-CA 3.36Å; S2786-A2789 WeakPolarHBondContact O-CB 3.37Å; S2786-A2789 PolarHBondContact O-N 3.05Å; S2786-L2790 PolarHBondContact O-N 2.96Å | ||
| 2787 | Y | 71.3 | Confident | 62.9 | Low | 63 Ų | 63 | 86.7 Ų | 86.7 | 25% | 0.247 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -47.8 | -46.5 | 179.2 | -90.7 | -79.2 | 0 | 0 | 0 | 114.4 | L2740 V2743 S2744 V2745 A2789 L2790 E2791 | L2740-Y2787 PolarHBondContact O-OH 3.4Å; V2743-Y2787 VanDerWaalsContact C-OH 3.28Å; V2743-Y2787 HydrophobicContact CB-CD2 4.47Å; V2743-Y2787 HydrophobicContact CB-CE1 3.93Å; V2743-Y2787 HydrophobicContact CB-CE2 4.17Å; V2743-Y2787 HydrophobicContact CG1-CD1 4.34Å; V2743-Y2787 HydrophobicContact CG1-CD2 3.9Å; V2743-Y2787 HydrophobicContact CG1-CE1 3.9Å; V2743-Y2787 HydrophobicContact CG1-CE2 3.43Å; V2743-Y2787 VanDerWaalsContact CG1-CE2 3.44Å; V2743-Y2787 HydrophobicContact CG1-CG 4.38Å; V2743-Y2787 VanDerWaalsContact CG1-CZ 3.41Å; V2743-Y2787 WeakPolarHBondContact O-CE2 3.35Å; V2743-Y2787 PolarHBondContact O-OH 3.17Å; S2744-Y2787 VanDerWaalsContact C-OH 3.31Å; S2744-Y2787 PolarHBondContact O-OH 3.31Å; V2745-Y2787 WeakPolarHBondContact CA-OH 3.46Å; V2745-Y2787 HydrophobicContact CG2-CE2 4.08Å; V2745-Y2787 WeakPolarHBondContact CG2-OH 3.42Å; V2745-Y2787 PolarHBondContact N-OH 3.16Å; Y2787-A2789 VanDerWaalsContact C-N 3.26Å; Y2787-A2789 PolarHBondContact O-N 3.31Å; Y2787-L2790 PolarHBondContact O-N 3.15Å; Y2787-L2790 VanDerWaalsContact O-N 3.11Å; Y2787-E2791 WeakPolarHBondContact O-CG 3.37Å; Y2787-E2791 PolarHBondContact O-N 3.24Å |
| 2788 | P | 76.3 | Confident | 65.7 | Low | 80.3333 Ų | 80.3333 | 81.4 Ų | 81.4 | 52% | 0.522 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.5 | -20.3 | 179 | -20.8 | 34.1 | 0 | 0 | 0 | 114.2 | S2786 K2792 | S2786-P2788 VanDerWaalsContact C-CD 3.45Å; P2788-K2792 WeakPolarHBondContact O-CD 3.24Å; P2788-K2792 VanDerWaalsContact O-CG 3.32Å; P2788-K2792 WeakPolarHBondContact O-CG 3.32Å; P2788-K2792 PolarHBondContact O-N 2.83Å |
| 2789 | A | 79.5 | Confident | 68.5 | Low | 36 Ų | 36 | 79.7 Ų | 79.7 | 30% | 0.298 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -79.3 | -43.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I2785 S2786 Y2787 E2791 K2792 I2793 | I2785-A2789 HydrophobicContact CG2-CB 4.05Å; S2786-A2789 WeakPolarHBondContact O-CA 3.36Å; S2786-A2789 WeakPolarHBondContact O-CB 3.37Å; S2786-A2789 PolarHBondContact O-N 3.05Å; Y2787-A2789 VanDerWaalsContact C-N 3.26Å; Y2787-A2789 PolarHBondContact O-N 3.31Å; A2789-E2791 PolarHBondContact O-N 3.14Å; A2789-K2792 WeakPolarHBondContact O-CB 3.27Å; A2789-K2792 PolarHBondContact O-N 3.29Å; A2789-K2792 VanDerWaalsContact O-N 3.15Å; A2789-I2793 WeakPolarHBondContact O-CD1 3.37Å; A2789-I2793 VanDerWaalsContact O-CG1 3.3Å; A2789-I2793 WeakPolarHBondContact O-CG1 3.39Å; A2789-I2793 PolarHBondContact O-N 3.16Å |
| 2790 | L | 83.1 | Confident | 71.3 | Confident | 0.333333 Ų | 0.333333 | 73.1 Ų | 73.1 | 0% | 0.002 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.6 | -176.8 | 60 | 0 | 0 | 0 | 112 | S2739 L2740 V2743 I2785 S2786 Y2787 K2792 I2793 C2794 L2852 P2853 | S2739-L2790 WeakPolarHBondContact O-CD2 3.3Å; L2740-L2790 HydrophobicContact CD2-CD2 4.11Å; L2740-L2790 HydrophobicContact CD2-CG 4.25Å; V2743-L2790 HydrophobicContact CG2-CD2 3.65Å; I2785-L2790 HydrophobicContact CG2-CB 4.01Å; S2786-L2790 PolarHBondContact O-N 2.96Å; Y2787-L2790 PolarHBondContact O-N 3.15Å; Y2787-L2790 VanDerWaalsContact O-N 3.11Å; L2790-K2792 VanDerWaalsContact C-N 3.31Å; L2790-K2792 PolarHBondContact O-N 3Å; L2790-I2793 PolarHBondContact O-N 3.14Å; L2790-I2793 VanDerWaalsContact O-N 3.07Å; L2790-C2794 WeakPolarHBondContact O-CB 3.29Å; L2790-C2794 PolarHBondContact O-N 3.16Å; L2790-C2794 PolarHBondContact O-SG 3.42Å; L2790-L2852 HydrophobicContact CD1-CD2 3.74Å; L2790-P2853 HydrophobicContact CD1-CG 4.09Å |
| 2791 | E | 83.5 | Confident | 74.3 | Confident | 46.3333 Ų | 46.3333 | 65.1 Ų | 65.1 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 176.2 | -99 | -175.2 | 150.5 | 0 | 0 | 112 | V2657 K2658 D2659 G2660 Y2787 A2789 C2794 Q2795 | V2657-E2791 HydrophobicContact CB-CG 4.06Å; V2657-E2791 HydrophobicContact CG1-CB 4.3Å; V2657-E2791 HydrophobicContact CG1-CG 3.93Å; K2658-E2791 VanDerWaalsContact C-OE1 3.3Å; D2659-E2791 PolarHBondContact N-OE1 3.2Å; G2660-E2791 PolarHBondContact N-OE1 3.23Å; Y2787-E2791 WeakPolarHBondContact O-CG 3.37Å; Y2787-E2791 PolarHBondContact O-N 3.24Å; A2789-E2791 PolarHBondContact O-N 3.14Å; E2791-C2794 PolarHBondContact O-N 3.22Å; E2791-Q2795 WeakPolarHBondContact O-CB 3.39Å; E2791-Q2795 VanDerWaalsContact O-CG 3.3Å; E2791-Q2795 WeakPolarHBondContact O-CG 3.33Å; E2791-Q2795 PolarHBondContact O-N 3.14Å; E2791-Q2795 PolarHBondContact OE1-NE2 3.09Å |
| 2792 | K | 85.3 | Confident | 77.3 | Confident | 146.667 Ų | 146.667 | 60.4 Ų | 60.4 | 64% | 0.638 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 175.8 | -73.1 | 175 | -177.1 | 176.6 | 0 | 112.4 | P2788 A2789 L2790 Q2795 R2796 | P2788-K2792 WeakPolarHBondContact O-CD 3.24Å; P2788-K2792 VanDerWaalsContact O-CG 3.32Å; P2788-K2792 WeakPolarHBondContact O-CG 3.32Å; P2788-K2792 PolarHBondContact O-N 2.83Å; A2789-K2792 WeakPolarHBondContact O-CB 3.27Å; A2789-K2792 PolarHBondContact O-N 3.29Å; A2789-K2792 VanDerWaalsContact O-N 3.15Å; L2790-K2792 VanDerWaalsContact C-N 3.31Å; L2790-K2792 PolarHBondContact O-N 3Å; K2792-Q2795 PolarHBondContact O-N 3.22Å; K2792-R2796 VanDerWaalsContact O-CB 3.29Å; K2792-R2796 WeakPolarHBondContact O-CB 3.3Å; K2792-R2796 PolarHBondContact O-N 3.25Å |
| 2793 | I | 85.6 | Confident | 80 | Confident | 30.6667 Ų | 30.6667 | 55.7 Ų | 55.7 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 176.3 | -66.6 | 158.3 | 0 | 0 | 0 | 109.8 | I2785 A2789 L2790 R2796 A2797 L2852 | I2785-I2793 HydrophobicContact CG2-CD1 4.29Å; A2789-I2793 WeakPolarHBondContact O-CD1 3.37Å; A2789-I2793 VanDerWaalsContact O-CG1 3.3Å; A2789-I2793 WeakPolarHBondContact O-CG1 3.39Å; A2789-I2793 PolarHBondContact O-N 3.16Å; L2790-I2793 PolarHBondContact O-N 3.14Å; L2790-I2793 VanDerWaalsContact O-N 3.07Å; I2793-R2796 PolarHBondContact O-N 3.06Å; I2793-A2797 WeakPolarHBondContact O-CB 3.27Å; I2793-A2797 PolarHBondContact O-N 3.07Å; I2793-L2852 HydrophobicContact CG2-CD2 3.75Å; I2793-L2852 HydrophobicContact CG2-CG 4.02Å |
| 2794 | C | 86.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.6 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | V2657 L2736 L2790 E2791 R2796 A2797 I2798 | V2657-C2794 HydrophobicContact CG1-CB 4.41Å; V2657-C2794 HydrophobicContact CG2-CB 3.85Å; L2736-C2794 HydrophobicContact CD2-CB 3.8Å; L2790-C2794 WeakPolarHBondContact O-CB 3.29Å; L2790-C2794 PolarHBondContact O-N 3.16Å; L2790-C2794 PolarHBondContact O-SG 3.42Å; E2791-C2794 PolarHBondContact O-N 3.22Å; C2794-R2796 VanDerWaalsContact C-N 3.35Å; C2794-R2796 PolarHBondContact O-N 3.05Å; C2794-A2797 PolarHBondContact O-N 3.36Å; C2794-I2798 WeakPolarHBondContact O-CG1 3.36Å; C2794-I2798 PolarHBondContact O-N 3.12Å |
| 2795 | Q | 87.9 | Confident | 84.5 | Confident | 65 Ų | 65 | 41.2 Ų | 41.2 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 174.5 | -73.7 | 172.9 | 6.2 | 0 | 0 | 111.7 | V2657 E2791 K2792 A2797 I2798 H2799 | V2657-Q2795 HydrophobicContact CB-CG 4.23Å; V2657-Q2795 HydrophobicContact CG2-CG 4.42Å; V2657-Q2795 PolarHBondContact O-NE2 3.01Å; E2791-Q2795 WeakPolarHBondContact O-CB 3.39Å; E2791-Q2795 VanDerWaalsContact O-CG 3.3Å; E2791-Q2795 WeakPolarHBondContact O-CG 3.33Å; E2791-Q2795 PolarHBondContact O-N 3.14Å; E2791-Q2795 PolarHBondContact OE1-NE2 3.09Å; K2792-Q2795 PolarHBondContact O-N 3.22Å; Q2795-A2797 VanDerWaalsContact C-N 3.34Å; Q2795-A2797 PolarHBondContact O-N 3.05Å; Q2795-I2798 PolarHBondContact O-N 3.23Å; Q2795-H2799 PolarHBondContact O-CD2 3.2Å; Q2795-H2799 PolarHBondContact O-N 3.11Å |
| 2796 | R | 89.1 | Confident | 86 | Confident | 99 Ų | 99 | 40.4 Ų | 40.4 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 175.7 | -168.7 | -178 | 172 | -149.5 | -7.7 | 111.7 | K2792 I2793 C2794 I2798 H2799 G2800 E2844 D2847 C2848 | K2792-R2796 VanDerWaalsContact O-CB 3.29Å; K2792-R2796 WeakPolarHBondContact O-CB 3.3Å; K2792-R2796 PolarHBondContact O-N 3.25Å; I2793-R2796 PolarHBondContact O-N 3.06Å; C2794-R2796 VanDerWaalsContact C-N 3.35Å; C2794-R2796 PolarHBondContact O-N 3.05Å; R2796-I2798 PolarHBondContact O-N 3.48Å; R2796-H2799 PolarHBondContact O-N 3.44Å; R2796-G2800 PolarHBondContact O-N 2.97Å; R2796-E2844 IonicContact CZ-OE1 3.82Å; R2796-E2844 IonicContact CZ-OE2 2.67Å; R2796-E2844 VanDerWaalsContact CZ-OE2 3.23Å; R2796-E2844 IonicContact NE-OE1 3.04Å; R2796-E2844 IonicContact NE-OE2 2.86Å; R2796-E2844 PolarHBondContact NE-OE2 3.24Å; R2796-E2844 IonicContact NH2-OE1 2.75Å; R2796-E2844 PolarHBondContact NH2-OE1 3.21Å; R2796-E2844 IonicContact NH2-OE2 2.84Å; R2796-E2844 PolarHBondContact NH2-OE2 3.19Å; R2796-D2847 IonicContact CZ-OD2 2.79Å; R2796-D2847 IonicContact NH1-OD2 3.46Å; R2796-D2847 PolarHBondContact NH1-OD2 3.17Å; R2796-D2847 IonicContact NH2-OD2 3.28Å; R2796-D2847 PolarHBondContact NH2-OD2 3.45Å; R2796-C2848 VanDerWaalsContact CG-SG 3.54Å |
| 2797 | A | 89.1 | Confident | 87.1 | Confident | 0.666667 Ų | 0.666667 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2732 L2736 I2793 C2794 Q2795 S2801 C2848 | L2732-A2797 HydrophobicContact CD1-CB 3.99Å; L2736-A2797 HydrophobicContact CD2-CB 4.21Å; I2793-A2797 WeakPolarHBondContact O-CB 3.27Å; I2793-A2797 PolarHBondContact O-N 3.07Å; C2794-A2797 PolarHBondContact O-N 3.36Å; Q2795-A2797 VanDerWaalsContact C-N 3.34Å; Q2795-A2797 PolarHBondContact O-N 3.05Å; A2797-S2801 VanDerWaalsContact O-CB 3.31Å; A2797-S2801 WeakPolarHBondContact O-CB 3.29Å; A2797-S2801 PolarHBondContact O-N 3.16Å; A2797-S2801 PolarHBondContact O-OG 2.92Å; A2797-C2848 HydrophobicContact CB-CB 3.86Å |
| 2798 | I | 89.5 | Confident | 88.2 | Confident | 7.33333 Ų | 7.33333 | 35.4 Ų | 35.4 | 4% | 0.038 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -47.7 | 174 | -65.9 | 166.1 | 0 | 0 | 0 | 110.5 | W2655 V2657 L2662 L2732 L2736 C2794 Q2795 R2796 S2801 A2802 | W2655-I2798 HydrophobicContact CB-CD1 4.11Å; W2655-I2798 HydrophobicContact CB-CG2 4.23Å; W2655-I2798 HydrophobicContact CE3-CD1 4.46Å; W2655-I2798 HydrophobicContact CE3-CG1 4.28Å; V2657-I2798 HydrophobicContact CG2-CD1 3.88Å; L2662-I2798 HydrophobicContact CD1-CD1 4.02Å; L2732-I2798 HydrophobicContact CD2-CG1 4.44Å; L2736-I2798 HydrophobicContact CD1-CD1 4.04Å; L2736-I2798 HydrophobicContact CD1-CG1 3.68Å; C2794-I2798 WeakPolarHBondContact O-CG1 3.36Å; C2794-I2798 PolarHBondContact O-N 3.12Å; Q2795-I2798 PolarHBondContact O-N 3.23Å; R2796-I2798 PolarHBondContact O-N 3.48Å; I2798-S2801 PolarHBondContact O-N 3Å; I2798-A2802 WeakPolarHBondContact O-CB 3.37Å; I2798-A2802 PolarHBondContact O-N 3.33Å |
| 2799 | H | 89.2 | Confident | 89 | Confident | 128 Ų | 128 | 34.5 Ų | 34.5 | 59% | 0.593 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -64.9 | -43.4 | 178.9 | -77.1 | -58.3 | 0 | 0 | 0 | 112.9 | Q2795 R2796 S2801 A2802 G2803 | Q2795-H2799 PolarHBondContact O-CD2 3.2Å; Q2795-H2799 PolarHBondContact O-N 3.11Å; R2796-H2799 PolarHBondContact O-N 3.44Å; H2799-S2801 VanDerWaalsContact C-N 3.32Å; H2799-S2801 PolarHBondContact O-N 2.94Å; H2799-A2802 PolarHBondContact O-N 3.04Å; H2799-G2803 PolarHBondContact O-N 3.13Å |
| 2800 | G | 89.8 | Confident | 89.6 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R2796 A2802 G2803 T2804 | R2796-G2800 PolarHBondContact O-N 2.97Å; G2800-A2802 PolarHBondContact O-N 3.38Å; G2800-G2803 WeakPolarHBondContact O-CA 3.31Å; G2800-G2803 PolarHBondContact O-N 3.04Å; G2800-T2804 PolarHBondContact O-N 3.23Å; G2800-T2804 PolarHBondContact O-OG1 3.16Å; G2800-T2804 VanDerWaalsContact O-OG1 3.11Å |
| 2801 | S | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65 | -40 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | L2732 A2797 I2798 H2799 G2803 T2804 I2805 | L2732-S2801 WeakPolarHBondContact CD2-OG 3.33Å; A2797-S2801 VanDerWaalsContact O-CB 3.31Å; A2797-S2801 WeakPolarHBondContact O-CB 3.29Å; A2797-S2801 PolarHBondContact O-N 3.16Å; A2797-S2801 PolarHBondContact O-OG 2.92Å; I2798-S2801 PolarHBondContact O-N 3Å; H2799-S2801 VanDerWaalsContact C-N 3.32Å; H2799-S2801 PolarHBondContact O-N 2.94Å; S2801-G2803 VanDerWaalsContact C-N 3.33Å; S2801-T2804 PolarHBondContact O-N 3.11Å; S2801-I2805 WeakPolarHBondContact O-CG1 3.5Å; S2801-I2805 PolarHBondContact O-N 3.25Å |
| 2802 | A | 91.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 33 Ų | 33 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -40.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N2649 L2652 I2798 H2799 G2800 I2805 S2806 | N2649-A2802 PolarHBondContact OD1-O 2.99Å; L2652-A2802 HydrophobicContact CB-CB 4.17Å; L2652-A2802 HydrophobicContact CD1-CB 4.35Å; I2798-A2802 WeakPolarHBondContact O-CB 3.37Å; I2798-A2802 PolarHBondContact O-N 3.33Å; H2799-A2802 PolarHBondContact O-N 3.04Å; G2800-A2802 PolarHBondContact O-N 3.38Å; A2802-I2805 PolarHBondContact O-N 3.22Å; A2802-S2806 WeakPolarHBondContact O-CB 3.47Å; A2802-S2806 PolarHBondContact O-N 3.18Å |
| 2803 | G | 91.4 | Very high | 90.8 | Very high | 23.5 Ų | 23.5 | 28.7 Ų | 28.7 | 24% | 0.242 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.2 | -48.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H2799 G2800 S2801 I2805 S2806 E2807 | H2799-G2803 PolarHBondContact O-N 3.13Å; G2800-G2803 WeakPolarHBondContact O-CA 3.31Å; G2800-G2803 PolarHBondContact O-N 3.04Å; S2801-G2803 VanDerWaalsContact C-N 3.33Å; G2803-I2805 PolarHBondContact O-N 3.18Å; G2803-S2806 WeakPolarHBondContact O-CB 3.32Å; G2803-S2806 PolarHBondContact O-N 3.02Å; G2803-S2806 VanDerWaalsContact O-N 3.14Å; G2803-E2807 PolarHBondContact O-N 3Å |
| 2804 | T | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | I2695 L2728 G2800 S2801 E2807 L2808 L2838 T2841 V2842 I2845 | I2695-T2804 HydrophobicContact CD1-CG2 3.81Å; I2695-T2804 HydrophobicContact CG2-CG2 3.84Å; L2728-T2804 HydrophobicContact CD2-CG2 4.23Å; G2800-T2804 PolarHBondContact O-N 3.23Å; G2800-T2804 PolarHBondContact O-OG1 3.16Å; G2800-T2804 VanDerWaalsContact O-OG1 3.11Å; S2801-T2804 PolarHBondContact O-N 3.11Å; T2804-E2807 PolarHBondContact O-N 3.27Å; T2804-L2808 HydrophobicContact CG2-CD1 4.48Å; T2804-L2808 WeakPolarHBondContact O-CB 3.39Å; T2804-L2808 WeakPolarHBondContact O-CG 3.41Å; T2804-L2808 PolarHBondContact O-N 2.98Å; T2804-L2838 HydrophobicContact CG2-CD1 3.67Å; T2804-L2838 WeakPolarHBondContact O-CD1 3.36Å; T2804-T2841 VanDerWaalsContact CA-OG1 3.3Å; T2804-T2841 WeakPolarHBondContact CA-OG1 3.39Å; T2804-T2841 VanDerWaalsContact OG1-CB 3.27Å; T2804-T2841 WeakPolarHBondContact OG1-CB 3.42Å; T2804-T2841 PolarHBondContact OG1-O 2.95Å; T2804-T2841 PolarHBondContact OG1-OG1 2.91Å; T2804-V2842 HydrophobicContact CG2-CG2 3.85Å; T2804-I2845 HydrophobicContact CG2-CD1 4.19Å; T2804-I2845 VanDerWaalsContact OG1-CD1 3.27Å; T2804-I2845 WeakPolarHBondContact OG1-CD1 3.39Å |
| 2805 | I | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.6 | -35 | 176.9 | -67.3 | 176.6 | 0 | 0 | 0 | 111.6 | L2645 L2648 N2649 L2652 A2725 L2728 V2729 S2801 A2802 G2803 L2808 K2809 | L2645-I2805 HydrophobicContact CB-CG2 4.29Å; L2645-I2805 HydrophobicContact CD2-CG2 4.19Å; L2645-I2805 VanDerWaalsContact O-CG2 3.24Å; L2645-I2805 WeakPolarHBondContact O-CG2 3.44Å; L2648-I2805 HydrophobicContact CB-CD1 4.04Å; L2648-I2805 HydrophobicContact CB-CG2 4.27Å; N2649-I2805 HydrophobicContact CB-CB 4.47Å; N2649-I2805 HydrophobicContact CB-CG2 3.88Å; L2652-I2805 HydrophobicContact CD1-CD1 3.57Å; L2652-I2805 VanDerWaalsContact CD1-CD1 3.46Å; L2652-I2805 HydrophobicContact CD1-CG1 4.21Å; L2652-I2805 HydrophobicContact CG-CD1 4.46Å; A2725-I2805 HydrophobicContact CB-CG1 4.45Å; L2728-I2805 HydrophobicContact CD2-CD1 4.41Å; L2728-I2805 HydrophobicContact CD2-CG1 4.47Å; V2729-I2805 HydrophobicContact CG2-CD1 3.53Å; V2729-I2805 VanDerWaalsContact CG2-CD1 3.48Å; S2801-I2805 WeakPolarHBondContact O-CG1 3.5Å; S2801-I2805 PolarHBondContact O-N 3.25Å; A2802-I2805 PolarHBondContact O-N 3.22Å; G2803-I2805 PolarHBondContact O-N 3.18Å; I2805-L2808 PolarHBondContact O-N 3.04Å; I2805-K2809 WeakPolarHBondContact O-CB 3.37Å; I2805-K2809 PolarHBondContact O-N 3.14Å |
| 2806 | S | 92.7 | Very high | 91.4 | Very high | 42 Ų | 42 | 26.3 Ų | 26.3 | 29% | 0.294 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | A2802 G2803 K2809 Q2810 | A2802-S2806 WeakPolarHBondContact O-CB 3.47Å; A2802-S2806 PolarHBondContact O-N 3.18Å; G2803-S2806 WeakPolarHBondContact O-CB 3.32Å; G2803-S2806 PolarHBondContact O-N 3.02Å; G2803-S2806 VanDerWaalsContact O-N 3.14Å; S2806-K2809 WeakPolarHBondContact O-CB 3.28Å; S2806-K2809 PolarHBondContact O-N 3.41Å; S2806-Q2810 PolarHBondContact O-N 2.92Å |
| 2807 | E | 92.6 | Very high | 91.3 | Very high | 28.5 Ų | 28.5 | 25.9 Ų | 25.9 | 13% | 0.133 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.3 | -36.9 | 175.7 | -68.5 | -57.7 | 126.6 | 0 | 0 | 112.1 | G2803 T2804 K2809 Q2810 L2811 R2837 L2838 T2841 | G2803-E2807 PolarHBondContact O-N 3Å; T2804-E2807 PolarHBondContact O-N 3.27Å; E2807-K2809 VanDerWaalsContact C-N 3.31Å; E2807-K2809 PolarHBondContact O-N 3.15Å; E2807-Q2810 PolarHBondContact O-N 3.21Å; E2807-Q2810 PolarHBondContact OE1-NE2 2.93Å; E2807-L2811 VanDerWaalsContact O-CB 3.31Å; E2807-L2811 WeakPolarHBondContact O-CB 3.35Å; E2807-L2811 PolarHBondContact O-N 3.08Å; E2807-R2837 HydrophobicContact CG-CB 4.31Å; E2807-R2837 VanDerWaalsContact OE2-CB 3.28Å; E2807-R2837 WeakPolarHBondContact OE2-CB 3.32Å; E2807-R2837 WeakPolarHBondContact OE2-CD 3.33Å; E2807-L2838 HydrophobicContact CB-CB 4.36Å; E2807-L2838 HydrophobicContact CB-CD1 3.86Å; E2807-T2841 HydrophobicContact CG-CG2 4.18Å |
| 2808 | L | 93.3 | Very high | 91.2 | Very high | 0.5 Ų | 0.5 | 26.1 Ų | 26.1 | 0% | 0.003 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 170.2 | -78 | 176.3 | 0 | 0 | 0 | 111.9 | L2645 I2695 I2721 A2725 T2804 I2805 L2811 V2812 L2838 | L2645-L2808 HydrophobicContact CD1-CB 4.3Å; L2645-L2808 HydrophobicContact CD2-CB 4.43Å; I2695-L2808 HydrophobicContact CD1-CD1 4.24Å; I2695-L2808 HydrophobicContact CG1-CD1 4.27Å; I2695-L2808 HydrophobicContact CG2-CD1 4.06Å; I2695-L2808 HydrophobicContact CG2-CD2 4.23Å; I2695-L2808 HydrophobicContact CG2-CG 4.37Å; I2721-L2808 HydrophobicContact CG1-CD2 4.33Å; I2721-L2808 HydrophobicContact CG2-CB 4.27Å; I2721-L2808 HydrophobicContact CG2-CD1 4.32Å; I2721-L2808 HydrophobicContact CG2-CD2 3.98Å; I2721-L2808 HydrophobicContact CG2-CG 4.42Å; A2725-L2808 HydrophobicContact CB-CD1 4.19Å; T2804-L2808 HydrophobicContact CG2-CD1 4.48Å; T2804-L2808 WeakPolarHBondContact O-CB 3.39Å; T2804-L2808 WeakPolarHBondContact O-CG 3.41Å; T2804-L2808 PolarHBondContact O-N 2.98Å; I2805-L2808 PolarHBondContact O-N 3.04Å; L2808-L2811 WeakPolarHBondContact O-CB 3.39Å; L2808-L2811 PolarHBondContact O-N 3.14Å; L2808-V2812 WeakPolarHBondContact O-CG2 3.46Å; L2808-V2812 PolarHBondContact O-N 3.26Å; L2808-L2838 HydrophobicContact CD2-CD1 4.1Å; L2808-L2838 HydrophobicContact CD2-CD2 3.77Å; L2808-L2838 HydrophobicContact CG-CD1 3.83Å; L2808-L2838 HydrophobicContact CG-CD2 4.43Å |
| 2809 | K | 93.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 26.5 Ų | 26.5 | 27% | 0.27 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63 | -46.5 | 176.3 | -174 | -175.4 | 176.1 | -109.5 | 0 | 111.1 | I2642 L2645 I2805 S2806 E2807 L2811 V2812 E2813 | I2642-K2809 HydrophobicContact CG2-CG 4.24Å; L2645-K2809 HydrophobicContact CB-CB 4.12Å; L2645-K2809 HydrophobicContact CB-CG 4.39Å; L2645-K2809 HydrophobicContact CD1-CB 4.36Å; I2805-K2809 WeakPolarHBondContact O-CB 3.37Å; I2805-K2809 PolarHBondContact O-N 3.14Å; S2806-K2809 WeakPolarHBondContact O-CB 3.28Å; S2806-K2809 PolarHBondContact O-N 3.41Å; E2807-K2809 VanDerWaalsContact C-N 3.31Å; E2807-K2809 PolarHBondContact O-N 3.15Å; K2809-L2811 VanDerWaalsContact C-N 3.31Å; K2809-L2811 PolarHBondContact O-N 3.28Å; K2809-V2812 PolarHBondContact O-N 2.84Å; K2809-E2813 WeakPolarHBondContact CE-OE1 3.37Å; K2809-E2813 IonicContact NZ-OE1 3.32Å; K2809-E2813 PolarHBondContact NZ-OE1 3.24Å; K2809-E2813 WeakPolarHBondContact O-CB 3.48Å; K2809-E2813 WeakPolarHBondContact O-CG 3.4Å; K2809-E2813 PolarHBondContact O-N 3.09Å |
| 2810 | Q | 92.5 | Very high | 90.6 | Very high | 50 Ų | 50 | 26.1 Ų | 26.1 | 23% | 0.234 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 173.4 | -75.4 | 175 | 61.8 | 0 | 0 | 111.6 | S2806 E2807 V2812 E2813 H2814 | S2806-Q2810 PolarHBondContact O-N 2.92Å; E2807-Q2810 PolarHBondContact O-N 3.21Å; E2807-Q2810 PolarHBondContact OE1-NE2 2.93Å; Q2810-V2812 PolarHBondContact O-N 3.22Å; Q2810-E2813 WeakPolarHBondContact O-CB 3.46Å; Q2810-E2813 PolarHBondContact O-N 3.18Å; Q2810-H2814 PolarHBondContact O-CD2 3.09Å; Q2810-H2814 PolarHBondContact O-N 3.02Å |
| 2811 | L | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 178.2 | -171.6 | 152.7 | 0 | 0 | 0 | 111.1 | A2699 A2702 I2721 E2807 L2808 K2809 H2814 M2815 V2831 A2834 M2835 | A2699-L2811 HydrophobicContact CB-CD1 3.9Å; A2702-L2811 HydrophobicContact CB-CD2 3.67Å; I2721-L2811 HydrophobicContact CD1-CD2 3.58Å; E2807-L2811 VanDerWaalsContact O-CB 3.31Å; E2807-L2811 WeakPolarHBondContact O-CB 3.35Å; E2807-L2811 PolarHBondContact O-N 3.08Å; L2808-L2811 WeakPolarHBondContact O-CB 3.39Å; L2808-L2811 PolarHBondContact O-N 3.14Å; K2809-L2811 VanDerWaalsContact C-N 3.31Å; K2809-L2811 PolarHBondContact O-N 3.28Å; L2811-H2814 PolarHBondContact O-N 3.17Å; L2811-M2815 HydrophobicContact CD2-CG 4.16Å; L2811-M2815 HydrophobicContact CD2-SD 3.61Å; L2811-M2815 VanDerWaalsContact CD2-SD 3.57Å; L2811-M2815 VanDerWaalsContact O-CG 3.29Å; L2811-M2815 WeakPolarHBondContact O-CG 3.32Å; L2811-M2815 PolarHBondContact O-N 3.2Å; L2811-V2831 HydrophobicContact CD2-CG1 4.4Å; L2811-V2831 HydrophobicContact CG-CG1 4.18Å; L2811-A2834 HydrophobicContact CB-CB 3.88Å; L2811-A2834 HydrophobicContact CD1-CB 4.44Å; L2811-A2834 HydrophobicContact CG-CB 4.32Å; L2811-M2835 HydrophobicContact CD1-CB 4.1Å |
| 2812 | V | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.8 | -36.5 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | L2638 I2641 I2642 L2645 I2721 L2808 K2809 Q2810 H2814 M2815 N2816 | L2638-V2812 HydrophobicContact CB-CG1 4.15Å; L2638-V2812 HydrophobicContact CD2-CG1 4Å; I2641-V2812 HydrophobicContact CB-CG1 4.41Å; I2641-V2812 HydrophobicContact CG2-CG1 4.17Å; I2641-V2812 HydrophobicContact CG2-CG2 4.21Å; I2642-V2812 HydrophobicContact CD1-CG1 4.11Å; I2642-V2812 HydrophobicContact CG1-CB 4.13Å; I2642-V2812 HydrophobicContact CG1-CG1 3.64Å; L2645-V2812 HydrophobicContact CD1-CB 4.45Å; L2645-V2812 HydrophobicContact CD1-CG2 3.95Å; I2721-V2812 HydrophobicContact CB-CG2 4.45Å; I2721-V2812 HydrophobicContact CD1-CG2 3.72Å; I2721-V2812 HydrophobicContact CG2-CG2 3.88Å; L2808-V2812 WeakPolarHBondContact O-CG2 3.46Å; L2808-V2812 PolarHBondContact O-N 3.26Å; K2809-V2812 PolarHBondContact O-N 2.84Å; Q2810-V2812 PolarHBondContact O-N 3.22Å; V2812-H2814 VanDerWaalsContact C-N 3.32Å; V2812-H2814 PolarHBondContact O-N 3.18Å; V2812-M2815 HydrophobicContact CG2-SD 4.39Å; V2812-M2815 WeakPolarHBondContact O-CB 3.49Å; V2812-M2815 PolarHBondContact O-N 3.02Å; V2812-N2816 WeakPolarHBondContact O-CB 3.23Å; V2812-N2816 PolarHBondContact O-N 3.03Å |
| 2813 | E | 92.4 | Very high | 88.7 | Confident | 57.5 Ų | 57.5 | 33.5 Ų | 33.5 | 27% | 0.269 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61 | -40.1 | 172.6 | -77.4 | 175.7 | -167.4 | 0 | 0 | 112 | I2642 K2809 Q2810 N2816 K2817 | I2642-E2813 HydrophobicContact CD1-CB 4.46Å; I2642-E2813 HydrophobicContact CD1-CG 3.76Å; I2642-E2813 HydrophobicContact CG1-CG 4.05Å; I2642-E2813 HydrophobicContact CG2-CG 4.21Å; K2809-E2813 WeakPolarHBondContact CE-OE1 3.37Å; K2809-E2813 IonicContact NZ-OE1 3.32Å; K2809-E2813 PolarHBondContact NZ-OE1 3.24Å; K2809-E2813 WeakPolarHBondContact O-CB 3.48Å; K2809-E2813 WeakPolarHBondContact O-CG 3.4Å; K2809-E2813 PolarHBondContact O-N 3.09Å; Q2810-E2813 WeakPolarHBondContact O-CB 3.46Å; Q2810-E2813 PolarHBondContact O-N 3.18Å; E2813-N2816 PolarHBondContact O-N 2.91Å; E2813-K2817 WeakPolarHBondContact O-CG 3.44Å; E2813-K2817 PolarHBondContact O-N 2.9Å; E2813-K2817 VanDerWaalsContact O-N 3.13Å |
| 2814 | H | 91.5 | Very high | 87.9 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 12% | 0.12 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.2 | -35.7 | 175.2 | -71.8 | -60.3 | 0 | 0 | 0 | 112.6 | Q2810 L2811 V2812 N2816 K2817 A2818 D2827 Q2830 V2831 | Q2810-H2814 PolarHBondContact O-CD2 3.09Å; Q2810-H2814 PolarHBondContact O-N 3.02Å; L2811-H2814 PolarHBondContact O-N 3.17Å; V2812-H2814 VanDerWaalsContact C-N 3.32Å; V2812-H2814 PolarHBondContact O-N 3.18Å; H2814-N2816 VanDerWaalsContact C-N 3.3Å; H2814-N2816 PolarHBondContact O-N 2.79Å; H2814-K2817 PolarHBondContact O-N 3.28Å; H2814-A2818 VanDerWaalsContact O-CB 3.24Å; H2814-A2818 WeakPolarHBondContact O-CB 3.32Å; H2814-A2818 PolarHBondContact O-N 2.98Å; H2814-D2827 IonicContact ND1-OD1 3.54Å; H2814-D2827 PolarHBondContact ND1-OD1 3.44Å; H2814-Q2830 HydrophobicContact CB-CB 4.08Å; H2814-Q2830 VanDerWaalsContact CE1-CB 3.48Å; H2814-Q2830 WeakPolarHBondContact CE1-CB 3.42Å; H2814-Q2830 VanDerWaalsContact CG-CB 3.45Å; H2814-Q2830 VanDerWaalsContact ND1-CB 3.31Å; H2814-Q2830 WeakPolarHBondContact ND1-CB 3.33Å; H2814-V2831 HydrophobicContact CB-CG2 3.58Å |
| 2815 | M | 90.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 169.5 | -69.3 | 171.1 | 71.5 | 0 | 0 | 111.2 | L2638 A2702 I2714 A2717 I2721 L2811 V2812 K2817 A2818 L2819 V2831 | L2638-M2815 HydrophobicContact CD1-CB 4.35Å; L2638-M2815 HydrophobicContact CD2-CE 4.3Å; A2702-M2815 HydrophobicContact CB-CE 3.93Å; A2702-M2815 HydrophobicContact CB-SD 3.6Å; A2702-M2815 VanDerWaalsContact CB-SD 3.56Å; I2714-M2815 HydrophobicContact CG2-CE 3.86Å; I2714-M2815 WeakPolarHBondContact O-CE 3.49Å; A2717-M2815 HydrophobicContact CB-CE 3.99Å; I2721-M2815 HydrophobicContact CD1-SD 3.95Å; L2811-M2815 HydrophobicContact CD2-CG 4.16Å; L2811-M2815 HydrophobicContact CD2-SD 3.61Å; L2811-M2815 VanDerWaalsContact CD2-SD 3.57Å; L2811-M2815 VanDerWaalsContact O-CG 3.29Å; L2811-M2815 WeakPolarHBondContact O-CG 3.32Å; L2811-M2815 PolarHBondContact O-N 3.2Å; V2812-M2815 HydrophobicContact CG2-SD 4.39Å; V2812-M2815 WeakPolarHBondContact O-CB 3.49Å; V2812-M2815 PolarHBondContact O-N 3.02Å; M2815-K2817 VanDerWaalsContact C-N 3.33Å; M2815-K2817 PolarHBondContact O-N 3.34Å; M2815-A2818 PolarHBondContact O-N 3.43Å; M2815-L2819 PolarHBondContact O-N 3.06Å; M2815-V2831 HydrophobicContact CG-CG1 4.26Å; M2815-V2831 HydrophobicContact CG-CG2 3.97Å |
| 2816 | N | 89.7 | Confident | 87.1 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 10% | 0.096 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 179.7 | -173.6 | 85.2 | 0 | 0 | 0 | 111.9 | H2635 L2638 V2812 E2813 H2814 L2819 | H2635-N2816 PolarHBondContact CD2-ND2 2.74Å; H2635-N2816 PolarHBondContact CD2-OD1 3.04Å; H2635-N2816 PolarHBondContact CE1-O 2.65Å; H2635-N2816 PolarHBondContact ND1-ND2 3.5Å; H2635-N2816 PolarHBondContact ND1-OD1 2.8Å; H2635-N2816 PolarHBondContact NE2-ND2 3.14Å; L2638-N2816 HydrophobicContact CB-CB 4.27Å; L2638-N2816 HydrophobicContact CD1-CB 4.05Å; V2812-N2816 WeakPolarHBondContact O-CB 3.23Å; V2812-N2816 PolarHBondContact O-N 3.03Å; E2813-N2816 PolarHBondContact O-N 2.91Å; H2814-N2816 VanDerWaalsContact C-N 3.3Å; H2814-N2816 PolarHBondContact O-N 2.79Å; N2816-L2819 WeakPolarHBondContact O-CB 3.38Å |
| 2817 | K | 87.4 | Confident | 86.8 | Confident | 90.5 Ų | 90.5 | 40.6 Ų | 40.6 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.7 | -34 | 174 | -66.7 | 170.2 | -174.5 | 168.5 | 0 | 113 | E2813 H2814 M2815 L2819 D2820 S2821 D2827 | E2813-K2817 WeakPolarHBondContact O-CG 3.44Å; E2813-K2817 PolarHBondContact O-N 2.9Å; E2813-K2817 VanDerWaalsContact O-N 3.13Å; H2814-K2817 PolarHBondContact O-N 3.28Å; M2815-K2817 VanDerWaalsContact C-N 3.33Å; M2815-K2817 PolarHBondContact O-N 3.34Å; K2817-L2819 PolarHBondContact O-N 3.13Å; K2817-D2820 WeakPolarHBondContact O-CB 3.45Å; K2817-D2820 PolarHBondContact O-N 3.34Å; K2817-S2821 WeakPolarHBondContact O-CB 3.46Å; K2817-S2821 PolarHBondContact O-N 3.16Å; K2817-S2821 VanDerWaalsContact O-N 3.15Å; K2817-S2821 PolarHBondContact O-OG 3.31Å; K2817-D2827 HydrophobicContact CB-CB 3.85Å; K2817-D2827 VanDerWaalsContact CB-CG 3.42Å; K2817-D2827 VanDerWaalsContact CD-OD1 3.22Å; K2817-D2827 WeakPolarHBondContact CD-OD1 3.4Å |
| 2818 | A | 86.4 | Confident | 86.4 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -27.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T2706 H2814 M2815 D2820 S2821 G2822 D2827 | T2706-A2818 HydrophobicContact CG2-CB 3.42Å; T2706-A2818 VanDerWaalsContact CG2-CB 3.42Å; H2814-A2818 VanDerWaalsContact O-CB 3.24Å; H2814-A2818 WeakPolarHBondContact O-CB 3.32Å; H2814-A2818 PolarHBondContact O-N 2.98Å; M2815-A2818 PolarHBondContact O-N 3.43Å; A2818-D2820 VanDerWaalsContact C-N 3.29Å; A2818-D2820 PolarHBondContact O-N 2.88Å; A2818-S2821 WeakPolarHBondContact CA-OG 3.39Å; A2818-S2821 PolarHBondContact O-N 3.24Å; A2818-G2822 PolarHBondContact O-N 3.06Å; A2818-D2827 HydrophobicContact CB-CB 4.28Å |
| 2819 | L | 83.7 | Confident | 86.1 | Confident | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -43 | 170.9 | -159.2 | 67.9 | 0 | 0 | 0 | 111.6 | E2631 V2634 H2635 T2711 I2714 M2815 N2816 K2817 S2821 | E2631-L2819 HydrophobicContact CB-CD2 4.31Å; E2631-L2819 HydrophobicContact CB-CG 4.48Å; E2631-L2819 HydrophobicContact CG-CD1 4.49Å; E2631-L2819 HydrophobicContact CG-CG 4.46Å; E2631-L2819 WeakPolarHBondContact O-CD2 3.48Å; V2634-L2819 HydrophobicContact CB-CD2 4.1Å; V2634-L2819 HydrophobicContact CG1-CD1 4.43Å; V2634-L2819 HydrophobicContact CG1-CD2 3.99Å; H2635-L2819 HydrophobicContact CB-CD2 4.21Å; T2711-L2819 HydrophobicContact CG2-CD1 4.22Å; I2714-L2819 HydrophobicContact CD1-CD1 3.78Å; I2714-L2819 HydrophobicContact CG2-CD1 4.5Å; M2815-L2819 PolarHBondContact O-N 3.06Å; N2816-L2819 WeakPolarHBondContact O-CB 3.38Å; K2817-L2819 PolarHBondContact O-N 3.13Å; L2819-S2821 VanDerWaalsContact C-N 3.32Å; L2819-S2821 PolarHBondContact O-N 2.93Å |
| 2820 | D | 82.1 | Confident | 86 | Confident | 120 Ų | 120 | 43.8 Ų | 43.8 | 64% | 0.642 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -72.7 | -31.7 | 177.5 | -65.3 | -49.7 | 0 | 0 | 0 | 113.2 | H2635 K2817 A2818 | H2635-D2820 IonicContact CE1-OD1 2.63Å; H2635-D2820 IonicContact CE1-OD2 3.42Å; H2635-D2820 PolarHBondContact CE1-OD2 2.89Å; H2635-D2820 IonicContact NE2-OD1 2.66Å; H2635-D2820 PolarHBondContact NE2-OD1 3.27Å; H2635-D2820 IonicContact NE2-OD2 3.73Å; K2817-D2820 WeakPolarHBondContact O-CB 3.45Å; K2817-D2820 PolarHBondContact O-N 3.34Å; A2818-D2820 VanDerWaalsContact C-N 3.29Å; A2818-D2820 PolarHBondContact O-N 2.88Å |
| 2821 | S | 81.7 | Confident | 85.8 | Confident | 55.5 Ų | 55.5 | 41.4 Ų | 41.4 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -103.2 | -10.1 | -169.4 | 57.8 | 0 | 0 | 0 | 0 | 115.2 | K2817 A2818 L2819 S2825 | K2817-S2821 WeakPolarHBondContact O-CB 3.46Å; K2817-S2821 PolarHBondContact O-N 3.16Å; K2817-S2821 VanDerWaalsContact O-N 3.15Å; K2817-S2821 PolarHBondContact O-OG 3.31Å; A2818-S2821 WeakPolarHBondContact CA-OG 3.39Å; A2818-S2821 PolarHBondContact O-N 3.24Å; L2819-S2821 VanDerWaalsContact C-N 3.32Å; L2819-S2821 PolarHBondContact O-N 2.93Å; S2821-S2825 VanDerWaalsContact CB-CB 3.48Å; S2821-S2825 WeakPolarHBondContact O-CB 3.31Å; S2821-S2825 VanDerWaalsContact OG-CB 3.27Å; S2821-S2825 WeakPolarHBondContact OG-CB 3.45Å; S2821-S2825 PolarHBondContact OG-OG 3.19Å |
| 2822 | G | 75.7 | Confident | 85.6 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | trans | 83.5 | 168.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A2818 S2825 | A2818-G2822 PolarHBondContact O-N 3.06Å; G2822-S2825 WeakPolarHBondContact O-CB 3.44Å; G2822-S2825 PolarHBondContact O-N 3.37Å; G2822-S2825 PolarHBondContact O-OG 3.06Å | ||
| 2823 | P | 74.8 | Confident | 85.4 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 53% | 0.532 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 137 | -179.6 | 26.7 | -33.9 | 0 | 0 | 0 | 111.5 | S2825 | P2823-S2825 VanDerWaalsContact C-N 3.29Å; P2823-S2825 PolarHBondContact O-N 2.99Å |
| 2824 | G | 74.9 | Confident | 85.3 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 67% | 0.67 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 3.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2828 | G2824-S2828 PolarHBondContact N-OG 3.16Š|
| 2825 | S | 84 | Confident | 85.1 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -63.4 | 162.3 | 171.8 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | S2821 G2822 P2823 D2827 S2828 V2829 | S2821-S2825 VanDerWaalsContact CB-CB 3.48Å; S2821-S2825 WeakPolarHBondContact O-CB 3.31Å; S2821-S2825 VanDerWaalsContact OG-CB 3.27Å; S2821-S2825 WeakPolarHBondContact OG-CB 3.45Å; S2821-S2825 PolarHBondContact OG-OG 3.19Å; G2822-S2825 WeakPolarHBondContact O-CB 3.44Å; G2822-S2825 PolarHBondContact O-N 3.37Å; G2822-S2825 PolarHBondContact O-OG 3.06Å; P2823-S2825 VanDerWaalsContact C-N 3.29Å; P2823-S2825 PolarHBondContact O-N 2.99Å; S2825-D2827 PolarHBondContact O-N 3.15Å; S2825-D2827 VanDerWaalsContact O-N 3.17Å; S2825-D2827 PolarHBondContact OG-N 3.41Å; S2825-S2828 WeakPolarHBondContact O-CB 3.37Å; S2825-S2828 PolarHBondContact O-N 3.13Å; S2825-S2828 VanDerWaalsContact O-N 3.09Å; S2825-S2828 PolarHBondContact OG-N 3.16Å; S2825-V2829 PolarHBondContact O-N 3.05Å |
| 2826 | P | 85.2 | Confident | 85 | Confident | 100 Ų | 100 | 51.3 Ų | 51.3 | 65% | 0.649 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -54.1 | -34.8 | 172.1 | 21.6 | -34.1 | 0 | 0 | 0 | 112.7 | V2829 Q2830 | P2826-V2829 PolarHBondContact O-N 2.91Å; P2826-Q2830 WeakPolarHBondContact O-CG 3.24Å; P2826-Q2830 PolarHBondContact O-N 3.16Å |
| 2827 | D | 85.8 | Confident | 84.9 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.4 | -37.6 | 175.6 | -70.9 | -66 | 0 | 0 | 0 | 112.8 | H2814 K2817 A2818 S2825 V2829 Q2830 V2831 | H2814-D2827 IonicContact ND1-OD1 3.54Å; H2814-D2827 PolarHBondContact ND1-OD1 3.44Å; K2817-D2827 HydrophobicContact CB-CB 3.85Å; K2817-D2827 VanDerWaalsContact CB-CG 3.42Å; K2817-D2827 VanDerWaalsContact CD-OD1 3.22Å; K2817-D2827 WeakPolarHBondContact CD-OD1 3.4Å; A2818-D2827 HydrophobicContact CB-CB 4.28Å; S2825-D2827 PolarHBondContact O-N 3.15Å; S2825-D2827 VanDerWaalsContact O-N 3.17Å; S2825-D2827 PolarHBondContact OG-N 3.41Å; D2827-V2829 VanDerWaalsContact C-N 3.28Å; D2827-V2829 PolarHBondContact O-N 3.38Å; D2827-Q2830 WeakPolarHBondContact O-CB 3.38Å; D2827-Q2830 PolarHBondContact O-N 2.89Å; D2827-Q2830 VanDerWaalsContact O-N 3.08Å; D2827-V2831 PolarHBondContact O-N 2.83Å; D2827-V2831 VanDerWaalsContact O-N 3.09Å |
| 2828 | S | 83.9 | Confident | 85 | Confident | 11.5 Ų | 11.5 | 51.2 Ų | 51.2 | 8% | 0.08 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 170.9 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | G2824 S2825 Q2830 V2831 T2832 | G2824-S2828 PolarHBondContact N-OG 3.16Å; S2825-S2828 WeakPolarHBondContact O-CB 3.37Å; S2825-S2828 PolarHBondContact O-N 3.13Å; S2825-S2828 VanDerWaalsContact O-N 3.09Å; S2825-S2828 PolarHBondContact OG-N 3.16Å; S2828-Q2830 VanDerWaalsContact C-N 3.35Å; S2828-V2831 WeakPolarHBondContact O-CB 3.37Å; S2828-V2831 PolarHBondContact O-N 3.39Å; S2828-T2832 PolarHBondContact O-N 2.96Å |
| 2829 | V | 88 | Confident | 84.9 | Confident | 81.5 Ų | 81.5 | 58.8 Ų | 58.8 | 49% | 0.494 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.8 | -34.1 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 112 | S2825 P2826 D2827 V2831 T2832 L2833 | S2825-V2829 PolarHBondContact O-N 3.05Å; P2826-V2829 PolarHBondContact O-N 2.91Å; D2827-V2829 VanDerWaalsContact C-N 3.28Å; D2827-V2829 PolarHBondContact O-N 3.38Å; V2829-V2831 VanDerWaalsContact C-N 3.32Å; V2829-V2831 PolarHBondContact O-N 3.23Å; V2829-T2832 WeakPolarHBondContact O-CB 3.42Å; V2829-T2832 PolarHBondContact O-N 3.19Å; V2829-L2833 HydrophobicContact CG1-CD1 4.19Å; V2829-L2833 WeakPolarHBondContact O-CG 3.07Å; V2829-L2833 PolarHBondContact O-N 3.47Å |
| 2830 | Q | 90.2 | Very high | 85 | Confident | 64.5 Ų | 64.5 | 64.9 Ų | 64.9 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -31.8 | 173.9 | -66 | -60.4 | -29.3 | 0 | 0 | 112.6 | H2814 P2826 D2827 S2828 T2832 L2833 A2834 | H2814-Q2830 HydrophobicContact CB-CB 4.08Å; H2814-Q2830 VanDerWaalsContact CE1-CB 3.48Å; H2814-Q2830 WeakPolarHBondContact CE1-CB 3.42Å; H2814-Q2830 VanDerWaalsContact CG-CB 3.45Å; H2814-Q2830 VanDerWaalsContact ND1-CB 3.31Å; H2814-Q2830 WeakPolarHBondContact ND1-CB 3.33Å; P2826-Q2830 WeakPolarHBondContact O-CG 3.24Å; P2826-Q2830 PolarHBondContact O-N 3.16Å; D2827-Q2830 WeakPolarHBondContact O-CB 3.38Å; D2827-Q2830 PolarHBondContact O-N 2.89Å; D2827-Q2830 VanDerWaalsContact O-N 3.08Å; S2828-Q2830 VanDerWaalsContact C-N 3.35Å; Q2830-T2832 VanDerWaalsContact C-N 3.33Å; Q2830-T2832 PolarHBondContact O-N 3.21Å; Q2830-L2833 PolarHBondContact O-N 2.99Å; Q2830-A2834 WeakPolarHBondContact O-CB 3.43Å; Q2830-A2834 PolarHBondContact O-N 2.97Å |
| 2831 | V | 89.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 171.1 | 177 | 0 | 0 | 0 | 0 | 110.7 | N2703 T2706 L2811 H2814 M2815 D2827 S2828 V2829 L2833 A2834 M2835 | N2703-V2831 HydrophobicContact CB-CG1 4.37Å; T2706-V2831 HydrophobicContact CG2-CB 4.37Å; T2706-V2831 HydrophobicContact CG2-CG2 3.98Å; L2811-V2831 HydrophobicContact CD2-CG1 4.4Å; L2811-V2831 HydrophobicContact CG-CG1 4.18Å; H2814-V2831 HydrophobicContact CB-CG2 3.58Å; M2815-V2831 HydrophobicContact CG-CG1 4.26Å; M2815-V2831 HydrophobicContact CG-CG2 3.97Å; D2827-V2831 PolarHBondContact O-N 2.83Å; D2827-V2831 VanDerWaalsContact O-N 3.09Å; S2828-V2831 WeakPolarHBondContact O-CB 3.37Å; S2828-V2831 PolarHBondContact O-N 3.39Å; V2829-V2831 VanDerWaalsContact C-N 3.32Å; V2829-V2831 PolarHBondContact O-N 3.23Å; V2831-L2833 VanDerWaalsContact C-N 3.32Å; V2831-L2833 PolarHBondContact O-N 3.31Å; V2831-A2834 PolarHBondContact O-N 3.17Å; V2831-M2835 WeakPolarHBondContact O-CB 3.43Å; V2831-M2835 PolarHBondContact O-N 3.48Å |
| 2832 | T | 88.1 | Confident | 85.6 | Confident | 40.5 Ų | 40.5 | 58 Ų | 58 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 175.3 | -48.4 | 0 | 0 | 0 | 0 | 112.3 | N2703 S2828 V2829 Q2830 R2836 | N2703-T2832 VanDerWaalsContact OD1-CA 3.24Å; N2703-T2832 WeakPolarHBondContact OD1-CA 3.42Å; N2703-T2832 WeakPolarHBondContact OD1-CB 3.31Å; N2703-T2832 PolarHBondContact OD1-N 3.08Å; N2703-T2832 PolarHBondContact OD1-OG1 2.97Å; S2828-T2832 PolarHBondContact O-N 2.96Å; V2829-T2832 WeakPolarHBondContact O-CB 3.42Å; V2829-T2832 PolarHBondContact O-N 3.19Å; Q2830-T2832 VanDerWaalsContact C-N 3.33Å; Q2830-T2832 PolarHBondContact O-N 3.21Å; T2832-R2836 WeakPolarHBondContact O-CG 3.08Å; T2832-R2836 PolarHBondContact O-N 3Å; T2832-R2836 VanDerWaalsContact O-N 3.13Å |
| 2833 | L | 88.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.9 | -43.6 | 177.9 | -122.3 | 113.2 | 0 | 0 | 0 | 112.2 | V2829 Q2830 V2831 M2835 R2836 R2837 | V2829-L2833 HydrophobicContact CG1-CD1 4.19Å; V2829-L2833 WeakPolarHBondContact O-CG 3.07Å; V2829-L2833 PolarHBondContact O-N 3.47Å; Q2830-L2833 PolarHBondContact O-N 2.99Å; V2831-L2833 VanDerWaalsContact C-N 3.32Å; V2831-L2833 PolarHBondContact O-N 3.31Å; L2833-M2835 VanDerWaalsContact C-N 3.33Å; L2833-M2835 PolarHBondContact O-N 3.15Å; L2833-R2836 WeakPolarHBondContact O-CB 3.22Å; L2833-R2836 PolarHBondContact O-N 3.32Å; L2833-R2836 VanDerWaalsContact O-N 3.12Å; L2833-R2837 PolarHBondContact O-N 3.3Å; L2833-R2837 VanDerWaalsContact O-N 3.08Å |
| 2834 | A | 88.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L2811 Q2830 V2831 R2836 R2837 L2838 | L2811-A2834 HydrophobicContact CB-CB 3.88Å; L2811-A2834 HydrophobicContact CD1-CB 4.44Å; L2811-A2834 HydrophobicContact CG-CB 4.32Å; Q2830-A2834 WeakPolarHBondContact O-CB 3.43Å; Q2830-A2834 PolarHBondContact O-N 2.97Å; V2831-A2834 PolarHBondContact O-N 3.17Å; A2834-R2836 VanDerWaalsContact C-N 3.27Å; A2834-R2836 PolarHBondContact O-N 3.12Å; A2834-R2837 PolarHBondContact O-N 3.25Å; A2834-L2838 VanDerWaalsContact O-CB 3.3Å; A2834-L2838 WeakPolarHBondContact O-CB 3.36Å; A2834-L2838 PolarHBondContact O-N 3.4Å |
| 2835 | M | 89 | Confident | 87.4 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 14% | 0.143 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -36.5 | 173 | -176.3 | -160.5 | 170.8 | 0 | 0 | 112.5 | A2699 T2700 N2703 L2811 V2831 L2833 L2838 R2839 | A2699-M2835 HydrophobicContact CB-CG 4.26Å; T2700-M2835 HydrophobicContact CG2-CE 4.1Å; T2700-M2835 VanDerWaalsContact OG1-CE 3.24Å; T2700-M2835 WeakPolarHBondContact OG1-CE 3.4Å; N2703-M2835 HydrophobicContact CB-SD 3.69Å; L2811-M2835 HydrophobicContact CD1-CB 4.1Å; V2831-M2835 WeakPolarHBondContact O-CB 3.43Å; V2831-M2835 PolarHBondContact O-N 3.48Å; L2833-M2835 VanDerWaalsContact C-N 3.33Å; L2833-M2835 PolarHBondContact O-N 3.15Å; M2835-L2838 WeakPolarHBondContact O-CB 3.21Å; M2835-R2839 PolarHBondContact O-N 3.01Å |
| 2836 | R | 87.2 | Confident | 87.5 | Confident | 162 Ų | 162 | 59.5 Ų | 59.5 | 61% | 0.611 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.5 | -45.1 | 176.7 | -72.3 | 176.4 | -172.8 | 171.5 | 3.5 | 112.3 | T2832 L2833 A2834 L2838 R2839 | T2832-R2836 WeakPolarHBondContact O-CG 3.08Å; T2832-R2836 PolarHBondContact O-N 3Å; T2832-R2836 VanDerWaalsContact O-N 3.13Å; L2833-R2836 WeakPolarHBondContact O-CB 3.22Å; L2833-R2836 PolarHBondContact O-N 3.32Å; L2833-R2836 VanDerWaalsContact O-N 3.12Å; A2834-R2836 VanDerWaalsContact C-N 3.27Å; A2834-R2836 PolarHBondContact O-N 3.12Å; R2836-L2838 VanDerWaalsContact C-N 3.31Å; R2836-L2838 PolarHBondContact O-N 3.25Å; R2836-R2839 VanDerWaalsContact O-CB 3.25Å; R2836-R2839 WeakPolarHBondContact O-CB 3.38Å; R2836-R2839 PolarHBondContact O-N 3.11Å |
| 2837 | R | 87.8 | Confident | 87.5 | Confident | 102.5 Ų | 102.5 | 57.2 Ų | 57.2 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 175 | -68.1 | 176.8 | -174.4 | 158 | 3.6 | 112.1 | E2807 L2833 A2834 R2839 E2840 T2841 | E2807-R2837 HydrophobicContact CG-CB 4.31Å; E2807-R2837 VanDerWaalsContact OE2-CB 3.28Å; E2807-R2837 WeakPolarHBondContact OE2-CB 3.32Å; E2807-R2837 WeakPolarHBondContact OE2-CD 3.33Å; L2833-R2837 PolarHBondContact O-N 3.3Å; L2833-R2837 VanDerWaalsContact O-N 3.08Å; A2834-R2837 PolarHBondContact O-N 3.25Å; R2837-R2839 PolarHBondContact O-N 3.12Å; R2837-E2840 WeakPolarHBondContact O-CB 3.35Å; R2837-E2840 PolarHBondContact O-N 3.29Å; R2837-T2841 PolarHBondContact O-N 3.04Å |
| 2838 | L | 89.9 | Confident | 87.5 | Confident | 2.5 Ų | 2.5 | 55.4 Ų | 55.4 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.8 | -39.5 | 175.9 | -173.2 | 72.5 | 0 | 0 | 0 | 111.5 | I2695 A2699 T2804 E2807 L2808 A2834 M2835 R2836 E2840 T2841 V2842 | I2695-L2838 HydrophobicContact CG2-CD1 4.24Å; I2695-L2838 HydrophobicContact CG2-CD2 3.89Å; I2695-L2838 HydrophobicContact CG2-CG 4.28Å; A2699-L2838 HydrophobicContact CB-CD2 3.28Å; T2804-L2838 HydrophobicContact CG2-CD1 3.67Å; T2804-L2838 WeakPolarHBondContact O-CD1 3.36Å; E2807-L2838 HydrophobicContact CB-CB 4.36Å; E2807-L2838 HydrophobicContact CB-CD1 3.86Å; L2808-L2838 HydrophobicContact CD2-CD1 4.1Å; L2808-L2838 HydrophobicContact CD2-CD2 3.77Å; L2808-L2838 HydrophobicContact CG-CD1 3.83Å; L2808-L2838 HydrophobicContact CG-CD2 4.43Å; A2834-L2838 VanDerWaalsContact O-CB 3.3Å; A2834-L2838 WeakPolarHBondContact O-CB 3.36Å; A2834-L2838 PolarHBondContact O-N 3.4Å; M2835-L2838 WeakPolarHBondContact O-CB 3.21Å; R2836-L2838 VanDerWaalsContact C-N 3.31Å; R2836-L2838 PolarHBondContact O-N 3.25Å; L2838-E2840 VanDerWaalsContact C-N 3.27Å; L2838-E2840 PolarHBondContact O-N 2.99Å; L2838-T2841 PolarHBondContact O-N 3.04Å; L2838-T2841 PolarHBondContact O-OG1 3.02Å; L2838-V2842 HydrophobicContact CD1-CG2 4.38Å; L2838-V2842 HydrophobicContact CG-CG2 4.04Å; L2838-V2842 WeakPolarHBondContact O-CB 3.2Å; L2838-V2842 VanDerWaalsContact O-CG2 3.27Å; L2838-V2842 WeakPolarHBondContact O-CG2 3.27Å; L2838-V2842 PolarHBondContact O-N 2.83Å |
| 2839 | R | 84.2 | Confident | 87.6 | Confident | 164.5 Ų | 164.5 | 54.9 Ų | 54.9 | 62% | 0.621 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -57 | -37.8 | 177.9 | -168.7 | -176 | -62.9 | -127.2 | -2.6 | 112.9 | M2835 R2836 R2837 F2843 | M2835-R2839 PolarHBondContact O-N 3.01Å; R2836-R2839 VanDerWaalsContact O-CB 3.25Å; R2836-R2839 WeakPolarHBondContact O-CB 3.38Å; R2836-R2839 PolarHBondContact O-N 3.11Å; R2837-R2839 PolarHBondContact O-N 3.12Å; R2839-F2843 WeakPolarHBondContact O-CB 3.16Å; R2839-F2843 PolarHBondContact O-N 3.26Å |
| 2840 | E | 85 | Confident | 87.3 | Confident | 144 Ų | 144 | 54.3 Ų | 54.3 | 67% | 0.673 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.5 | -47.5 | 178.2 | -62.4 | 172.4 | -178.5 | 0 | 0 | 110.5 | R2837 L2838 V2842 F2843 E2844 | R2837-E2840 WeakPolarHBondContact O-CB 3.35Å; R2837-E2840 PolarHBondContact O-N 3.29Å; L2838-E2840 VanDerWaalsContact C-N 3.27Å; L2838-E2840 PolarHBondContact O-N 2.99Å; E2840-V2842 VanDerWaalsContact C-N 3.33Å; E2840-V2842 PolarHBondContact O-N 3.11Å; E2840-F2843 WeakPolarHBondContact O-CB 3.3Å; E2840-F2843 PolarHBondContact O-N 3.14Å; E2840-E2844 PolarHBondContact O-N 3.19Å; E2840-E2844 VanDerWaalsContact O-N 3.14Å |
| 2841 | T | 88.2 | Confident | 86.9 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -36 | 177.5 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | T2804 E2807 R2837 L2838 F2843 E2844 I2845 | T2804-T2841 VanDerWaalsContact CA-OG1 3.3Å; T2804-T2841 WeakPolarHBondContact CA-OG1 3.39Å; T2804-T2841 VanDerWaalsContact OG1-CB 3.27Å; T2804-T2841 WeakPolarHBondContact OG1-CB 3.42Å; T2804-T2841 PolarHBondContact OG1-O 2.95Å; T2804-T2841 PolarHBondContact OG1-OG1 2.91Å; E2807-T2841 HydrophobicContact CG-CG2 4.18Å; R2837-T2841 PolarHBondContact O-N 3.04Å; L2838-T2841 PolarHBondContact O-N 3.04Å; L2838-T2841 PolarHBondContact O-OG1 3.02Å; T2841-F2843 VanDerWaalsContact C-N 3.31Å; T2841-F2843 PolarHBondContact O-N 2.94Å; T2841-E2844 WeakPolarHBondContact O-CB 3.39Å; T2841-E2844 PolarHBondContact O-N 2.97Å; T2841-I2845 PolarHBondContact O-N 3.42Å |
| 2842 | V | 88.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.1 | -35.9 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | A2692 I2695 T2804 L2838 E2840 E2844 I2845 V2846 | A2692-V2842 HydrophobicContact CB-CG1 3.78Å; I2695-V2842 HydrophobicContact CG2-CG2 3.91Å; T2804-V2842 HydrophobicContact CG2-CG2 3.85Å; L2838-V2842 HydrophobicContact CD1-CG2 4.38Å; L2838-V2842 HydrophobicContact CG-CG2 4.04Å; L2838-V2842 WeakPolarHBondContact O-CB 3.2Å; L2838-V2842 VanDerWaalsContact O-CG2 3.27Å; L2838-V2842 WeakPolarHBondContact O-CG2 3.27Å; L2838-V2842 PolarHBondContact O-N 2.83Å; E2840-V2842 VanDerWaalsContact C-N 3.33Å; E2840-V2842 PolarHBondContact O-N 3.11Å; V2842-E2844 VanDerWaalsContact C-N 3.34Å; V2842-I2845 WeakPolarHBondContact O-CB 3.4Å; V2842-I2845 PolarHBondContact O-N 3.31Å; V2842-V2846 WeakPolarHBondContact O-CG2 3.27Å; V2842-V2846 PolarHBondContact O-N 2.83Å; V2842-V2846 VanDerWaalsContact O-N 3.11Å |
| 2843 | F | 87.9 | Confident | 85.7 | Confident | 119.5 Ų | 119.5 | 53.2 Ų | 53.2 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 174.2 | -175.1 | -94.2 | 0 | 0 | 0 | 111.7 | R2839 E2840 T2841 I2845 V2846 D2847 | R2839-F2843 WeakPolarHBondContact O-CB 3.16Å; R2839-F2843 PolarHBondContact O-N 3.26Å; E2840-F2843 WeakPolarHBondContact O-CB 3.3Å; E2840-F2843 PolarHBondContact O-N 3.14Å; T2841-F2843 VanDerWaalsContact C-N 3.31Å; T2841-F2843 PolarHBondContact O-N 2.94Å; F2843-I2845 VanDerWaalsContact C-N 3.28Å; F2843-I2845 PolarHBondContact O-N 3.05Å; F2843-V2846 PolarHBondContact O-N 3.09Å; F2843-V2846 VanDerWaalsContact O-N 3.12Å; F2843-D2847 HydrophobicContact CE1-CB 4.44Å; F2843-D2847 WeakPolarHBondContact O-CB 3.36Å; F2843-D2847 PolarHBondContact O-N 3.2Å |
| 2844 | E | 86.4 | Confident | 84.6 | Confident | 73.5 Ų | 73.5 | 53 Ų | 53 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 173 | -70.6 | -123 | 144.2 | 0 | 0 | 112.5 | R2796 E2840 T2841 V2842 C2848 | R2796-E2844 IonicContact CZ-OE1 3.82Å; R2796-E2844 IonicContact CZ-OE2 2.67Å; R2796-E2844 VanDerWaalsContact CZ-OE2 3.23Å; R2796-E2844 IonicContact NE-OE1 3.04Å; R2796-E2844 IonicContact NE-OE2 2.86Å; R2796-E2844 PolarHBondContact NE-OE2 3.24Å; R2796-E2844 IonicContact NH2-OE1 2.75Å; R2796-E2844 PolarHBondContact NH2-OE1 3.21Å; R2796-E2844 IonicContact NH2-OE2 2.84Å; R2796-E2844 PolarHBondContact NH2-OE2 3.19Å; E2840-E2844 PolarHBondContact O-N 3.19Å; E2840-E2844 VanDerWaalsContact O-N 3.14Å; T2841-E2844 WeakPolarHBondContact O-CB 3.39Å; T2841-E2844 PolarHBondContact O-N 2.97Å; V2842-E2844 VanDerWaalsContact C-N 3.34Å; E2844-C2848 WeakPolarHBondContact O-CB 3.42Å; E2844-C2848 PolarHBondContact O-N 3.17Å; E2844-C2848 PolarHBondContact O-SG 3.01Å |
| 2845 | I | 88.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 175.8 | -64.6 | 170.7 | 0 | 0 | 0 | 110.9 | L2688 A2692 L2728 T2804 T2841 V2842 F2843 C2848 S2849 | L2688-I2845 HydrophobicContact CD1-CG2 3.77Å; L2688-I2845 HydrophobicContact CD2-CG2 3.94Å; L2688-I2845 HydrophobicContact CG-CG2 3.51Å; L2688-I2845 VanDerWaalsContact CG-CG2 3.5Å; A2692-I2845 HydrophobicContact CB-CG2 4.29Å; L2728-I2845 HydrophobicContact CD1-CD1 4.12Å; L2728-I2845 HydrophobicContact CD1-CG2 4.39Å; L2728-I2845 HydrophobicContact CD2-CD1 3.9Å; T2804-I2845 HydrophobicContact CG2-CD1 4.19Å; T2804-I2845 VanDerWaalsContact OG1-CD1 3.27Å; T2804-I2845 WeakPolarHBondContact OG1-CD1 3.39Å; T2841-I2845 PolarHBondContact O-N 3.42Å; V2842-I2845 WeakPolarHBondContact O-CB 3.4Å; V2842-I2845 PolarHBondContact O-N 3.31Å; F2843-I2845 VanDerWaalsContact C-N 3.28Å; F2843-I2845 PolarHBondContact O-N 3.05Å; I2845-C2848 PolarHBondContact O-N 3.04Å; I2845-S2849 PolarHBondContact O-N 2.88Å; I2845-S2849 PolarHBondContact O-OG 3.33Å |
| 2846 | V | 86.5 | Confident | 82.2 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 178.6 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | A2692 V2842 F2843 C2848 S2849 M2850 F2863 | A2692-V2846 HydrophobicContact CB-CG2 3.84Å; V2842-V2846 WeakPolarHBondContact O-CG2 3.27Å; V2842-V2846 PolarHBondContact O-N 2.83Å; V2842-V2846 VanDerWaalsContact O-N 3.11Å; F2843-V2846 PolarHBondContact O-N 3.09Å; F2843-V2846 VanDerWaalsContact O-N 3.12Å; V2846-C2848 VanDerWaalsContact C-N 3.35Å; V2846-C2848 PolarHBondContact O-N 3.26Å; V2846-S2849 WeakPolarHBondContact O-CA 3.44Å; V2846-S2849 VanDerWaalsContact O-CB 3.28Å; V2846-S2849 WeakPolarHBondContact O-CB 3.48Å; V2846-S2849 PolarHBondContact O-N 3.07Å; V2846-S2849 PolarHBondContact O-OG 2.96Å; V2846-M2850 WeakPolarHBondContact O-CG 3.32Å; V2846-M2850 PolarHBondContact O-N 3.45Å; V2846-M2850 VanDerWaalsContact O-N 3.1Å; V2846-F2863 HydrophobicContact CG1-CB 4.06Å; V2846-F2863 HydrophobicContact CG1-CD2 4.13Å; V2846-F2863 HydrophobicContact CG1-CG 4.03Å; V2846-F2863 HydrophobicContact CG2-CD2 4.29Å; V2846-F2863 HydrophobicContact CG2-CE1 4.41Å; V2846-F2863 HydrophobicContact CG2-CE2 4.11Å; V2846-F2863 HydrophobicContact CG2-CG 4.5Å; V2846-F2863 HydrophobicContact CG2-CZ 4.18Å |
| 2847 | D | 86 | Confident | 80.6 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 176.9 | -172.3 | 50.4 | 0 | 0 | 0 | 112.1 | R2796 F2843 S2849 M2850 S2851 | R2796-D2847 IonicContact CZ-OD2 2.79Å; R2796-D2847 IonicContact NH1-OD2 3.46Å; R2796-D2847 PolarHBondContact NH1-OD2 3.17Å; R2796-D2847 IonicContact NH2-OD2 3.28Å; R2796-D2847 PolarHBondContact NH2-OD2 3.45Å; F2843-D2847 HydrophobicContact CE1-CB 4.44Å; F2843-D2847 WeakPolarHBondContact O-CB 3.36Å; F2843-D2847 PolarHBondContact O-N 3.2Å; D2847-S2849 VanDerWaalsContact C-N 3.32Å; D2847-S2849 PolarHBondContact O-N 3.35Å; D2847-M2850 PolarHBondContact O-N 3.34Å; D2847-S2851 PolarHBondContact O-N 3.33Å; D2847-S2851 VanDerWaalsContact O-N 3.15Å; D2847-S2851 PolarHBondContact O-OG 2.83Å; D2847-S2851 VanDerWaalsContact O-OG 3.05Å |
| 2848 | C | 86.2 | Confident | 78.9 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 172.6 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | R2796 A2797 E2844 I2845 V2846 M2850 S2851 L2852 | R2796-C2848 VanDerWaalsContact CG-SG 3.54Å; A2797-C2848 HydrophobicContact CB-CB 3.86Å; E2844-C2848 WeakPolarHBondContact O-CB 3.42Å; E2844-C2848 PolarHBondContact O-N 3.17Å; E2844-C2848 PolarHBondContact O-SG 3.01Å; I2845-C2848 PolarHBondContact O-N 3.04Å; V2846-C2848 VanDerWaalsContact C-N 3.35Å; V2846-C2848 PolarHBondContact O-N 3.26Å; C2848-M2850 VanDerWaalsContact C-N 3.33Å; C2848-M2850 PolarHBondContact O-N 3.43Å; C2848-S2851 PolarHBondContact O-N 2.98Å; C2848-S2851 VanDerWaalsContact O-N 3.11Å; C2848-L2852 WeakPolarHBondContact O-CG 3.39Å; C2848-L2852 PolarHBondContact O-N 3.4Å |
| 2849 | S | 84.8 | Confident | 77 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 178 | 13.1 | 0 | 0 | 0 | 0 | 112.3 | P2685 L2688 V2689 I2845 V2846 D2847 S2851 L2852 A2855 | P2685-S2849 VanDerWaalsContact CB-O 3.22Å; P2685-S2849 WeakPolarHBondContact CB-O 3.18Å; L2688-S2849 WeakPolarHBondContact CB-OG 3.41Å; L2688-S2849 WeakPolarHBondContact CD2-OG 3.41Å; L2688-S2849 WeakPolarHBondContact CG-OG 3.43Å; V2689-S2849 WeakPolarHBondContact CG2-OG 3.3Å; I2845-S2849 PolarHBondContact O-N 2.88Å; I2845-S2849 PolarHBondContact O-OG 3.33Å; V2846-S2849 WeakPolarHBondContact O-CA 3.44Å; V2846-S2849 VanDerWaalsContact O-CB 3.28Å; V2846-S2849 WeakPolarHBondContact O-CB 3.48Å; V2846-S2849 PolarHBondContact O-N 3.07Å; V2846-S2849 PolarHBondContact O-OG 2.96Å; D2847-S2849 VanDerWaalsContact C-N 3.32Å; D2847-S2849 PolarHBondContact O-N 3.35Å; S2849-S2851 VanDerWaalsContact C-N 3.26Å; S2849-S2851 PolarHBondContact O-N 3.08Å; S2849-L2852 PolarHBondContact O-N 3.09Å; S2849-A2855 WeakPolarHBondContact O-CB 3.44Å |
| 2850 | M | 81.8 | Confident | 75.4 | Confident | 69.5 Ų | 69.5 | 54.2 Ų | 54.2 | 34% | 0.342 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.9 | -27.4 | 174.8 | -62.1 | -59.4 | -70.3 | 0 | 0 | 112.6 | V2846 D2847 C2848 E2857 I2860 | V2846-M2850 WeakPolarHBondContact O-CG 3.32Å; V2846-M2850 PolarHBondContact O-N 3.45Å; V2846-M2850 VanDerWaalsContact O-N 3.1Å; D2847-M2850 PolarHBondContact O-N 3.34Å; C2848-M2850 VanDerWaalsContact C-N 3.33Å; C2848-M2850 PolarHBondContact O-N 3.43Å; M2850-E2857 HydrophobicContact CE-CG 4.07Å; M2850-I2860 HydrophobicContact CE-CD1 3.89Å; M2850-I2860 HydrophobicContact CG-CG2 4.38Å; M2850-I2860 HydrophobicContact SD-CB 3.57Å; M2850-I2860 VanDerWaalsContact SD-CB 3.57Å; M2850-I2860 HydrophobicContact SD-CD1 3.32Å; M2850-I2860 VanDerWaalsContact SD-CD1 3.51Å; M2850-I2860 WeakPolarHBondContact SD-CD1 3.45Å; M2850-I2860 HydrophobicContact SD-CG1 4.25Å; M2850-I2860 HydrophobicContact SD-CG2 3.8Å; M2850-I2860 WeakPolarHBondContact SD-CG2 3.43Å |
| 2851 | S | 82.8 | Confident | 73.6 | Confident | 41.5 Ų | 41.5 | 51 Ų | 51 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.5 | -178.4 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | I2785 D2847 C2848 S2849 | I2785-S2851 VanDerWaalsContact CD1-O 3.29Å; I2785-S2851 WeakPolarHBondContact CD1-O 3.36Å; D2847-S2851 PolarHBondContact O-N 3.33Å; D2847-S2851 VanDerWaalsContact O-N 3.15Å; D2847-S2851 PolarHBondContact O-OG 2.83Å; D2847-S2851 VanDerWaalsContact O-OG 3.05Å; C2848-S2851 PolarHBondContact O-N 2.98Å; C2848-S2851 VanDerWaalsContact O-N 3.11Å; S2849-S2851 VanDerWaalsContact C-N 3.26Å; S2849-S2851 PolarHBondContact O-N 3.08Å |
| 2852 | L | 82.1 | Confident | 71.5 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -86.3 | 147.1 | -178.6 | -75.6 | 171.5 | 0 | 0 | 0 | 112 | P2685 V2735 L2736 L2790 I2793 C2848 S2849 G2854 A2855 | P2685-L2852 HydrophobicContact CB-CB 4.22Å; P2685-L2852 HydrophobicContact CG-CB 3.83Å; V2735-L2852 HydrophobicContact CG1-CD1 3.62Å; L2736-L2852 HydrophobicContact CD2-CD1 4.37Å; L2790-L2852 HydrophobicContact CD1-CD2 3.74Å; I2793-L2852 HydrophobicContact CG2-CD2 3.75Å; I2793-L2852 HydrophobicContact CG2-CG 4.02Å; C2848-L2852 WeakPolarHBondContact O-CG 3.39Å; C2848-L2852 PolarHBondContact O-N 3.4Å; S2849-L2852 PolarHBondContact O-N 3.09Å; L2852-G2854 PolarHBondContact O-N 3.19Å; L2852-A2855 WeakPolarHBondContact O-CB 3.36Å; L2852-A2855 PolarHBondContact O-N 3.14Å |
| 2853 | P | 69.6 | Low | 69 | Low | 35.5 Ų | 35.5 | 60 Ų | 60 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 130.9 | 173.8 | -21.9 | 30.2 | 0 | 0 | 0 | 111.9 | I2785 L2790 | I2785-P2853 HydrophobicContact CD1-CG 4.24Å; L2790-P2853 HydrophobicContact CD1-CG 4.09Å |
| 2854 | G | 66 | Low | 66.4 | Low | 55 Ų | 55 | 61.4 Ų | 61.4 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 11.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P2685 L2852 N2856 | P2685-G2854 WeakPolarHBondContact CD-O 3.49Å; L2852-G2854 PolarHBondContact O-N 3.19Å; G2854-N2856 PolarHBondContact O-N 3.14Å |
| 2855 | A | 65.2 | Low | 63.6 | Low | 29 Ų | 29 | 63.5 Ų | 63.5 | 24% | 0.24 | 36% | 0.363 | C | S | . | . | trans | -78 | 112.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P2685 S2849 L2852 I2860 | P2685-A2855 HydrophobicContact CB-CB 4.17Å; P2685-A2855 HydrophobicContact CG-CB 4.17Å; S2849-A2855 WeakPolarHBondContact O-CB 3.44Å; L2852-A2855 WeakPolarHBondContact O-CB 3.36Å; L2852-A2855 PolarHBondContact O-N 3.14Å; A2855-I2860 HydrophobicContact CB-CD1 4.35Å | ||
| 2856 | N | 60.6 | Low | 60.7 | Low | 91.5 Ų | 91.5 | 66.6 Ų | 66.6 | 49% | 0.489 | 39% | 0.389 | S | S | . | . | trans | -90.6 | 130.3 | 169.4 | -55.5 | -40.9 | 0 | 0 | 0 | 109.1 | G2854 D2858 D2859 | G2854-N2856 PolarHBondContact O-N 3.14Å; N2856-D2858 PolarHBondContact O-N 3.26Å; N2856-D2859 HydrophobicContact CB-CB 4.34Å; N2856-D2859 WeakPolarHBondContact CB-OD2 3.36Å; N2856-D2859 PolarHBondContact ND2-OD2 3.38Å; N2856-D2859 PolarHBondContact O-N 3.04Å | ||
| 2857 | E | 55.1 | Low | 57.8 | Low | 140.5 Ų | 140.5 | 71.9 Ų | 71.9 | 66% | 0.657 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -59.5 | -35.3 | 175.4 | -72 | -159.8 | 136 | 0 | 0 | 112 | M2850 D2859 I2860 A2861 K2864 | M2850-E2857 HydrophobicContact CE-CG 4.07Å; E2857-D2859 VanDerWaalsContact C-N 3.31Å; E2857-D2859 PolarHBondContact O-N 3.3Å; E2857-I2860 PolarHBondContact O-N 3.08Å; E2857-I2860 VanDerWaalsContact O-N 3.12Å; E2857-A2861 PolarHBondContact O-N 2.97Å; E2857-A2861 VanDerWaalsContact O-N 3.11Å; E2857-K2864 IonicContact OE1-NZ 2.99Å |
| 2858 | D | 50.9 | Low | 55 | Low | 147 Ų | 147 | 73.5 Ų | 73.5 | 79% | 0.786 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -62.8 | -33 | -179.8 | -67.6 | -30.4 | 0 | 0 | 0 | 113.2 | N2856 I2860 | N2856-D2858 PolarHBondContact O-N 3.26Å; D2858-I2860 VanDerWaalsContact C-N 3.3Å; D2858-I2860 PolarHBondContact O-N 3.02Å |
| 2859 | D | 50.8 | Low | 52.2 | Low | 66.5 Ų | 66.5 | 77.8 Ų | 77.8 | 36% | 0.356 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -76 | -11.1 | 179.1 | -73.5 | -43.9 | 0 | 0 | 0 | 112.5 | N2856 E2857 F2863 | N2856-D2859 HydrophobicContact CB-CB 4.34Å; N2856-D2859 WeakPolarHBondContact CB-OD2 3.36Å; N2856-D2859 PolarHBondContact ND2-OD2 3.38Å; N2856-D2859 PolarHBondContact O-N 3.04Å; E2857-D2859 VanDerWaalsContact C-N 3.31Å; E2857-D2859 PolarHBondContact O-N 3.3Å; D2859-F2863 HydrophobicContact CB-CD2 4.3Å; D2859-F2863 HydrophobicContact CB-CE2 4.15Å; D2859-F2863 WeakPolarHBondContact O-CB 3.33Å; D2859-F2863 WeakPolarHBondContact O-CD2 3.21Å; D2859-F2863 WeakPolarHBondContact O-CG 3.47Å |
| 2860 | I | 51.2 | Low | 49.4 | Very low | 13.5 Ų | 13.5 | 85.4 Ų | 85.4 | 7% | 0.069 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -14.5 | -167.3 | -56.6 | 173.3 | 0 | 0 | 0 | 112.3 | V2689 R2693 M2850 A2855 E2857 D2858 D2862 F2863 | V2689-I2860 HydrophobicContact CG1-CG2 4.22Å; V2689-I2860 HydrophobicContact CG2-CD1 4.31Å; V2689-I2860 HydrophobicContact CG2-CG1 4.34Å; V2689-I2860 HydrophobicContact CG2-CG2 3.92Å; R2693-I2860 PolarHBondContact NH2-O 3.04Å; M2850-I2860 HydrophobicContact CE-CD1 3.89Å; M2850-I2860 HydrophobicContact CG-CG2 4.38Å; M2850-I2860 HydrophobicContact SD-CB 3.57Å; M2850-I2860 VanDerWaalsContact SD-CB 3.57Å; M2850-I2860 HydrophobicContact SD-CD1 3.32Å; M2850-I2860 VanDerWaalsContact SD-CD1 3.51Å; M2850-I2860 WeakPolarHBondContact SD-CD1 3.45Å; M2850-I2860 HydrophobicContact SD-CG1 4.25Å; M2850-I2860 HydrophobicContact SD-CG2 3.8Å; M2850-I2860 WeakPolarHBondContact SD-CG2 3.43Å; A2855-I2860 HydrophobicContact CB-CD1 4.35Å; E2857-I2860 PolarHBondContact O-N 3.08Å; E2857-I2860 VanDerWaalsContact O-N 3.12Å; D2858-I2860 VanDerWaalsContact C-N 3.3Å; D2858-I2860 PolarHBondContact O-N 3.02Å; I2860-D2862 PolarHBondContact O-N 3.24Å; I2860-F2863 PolarHBondContact O-N 2.93Å |
| 2861 | A | 46.3 | Very low | 46.8 | Very low | 77.5 Ų | 77.5 | 86.7 Ų | 86.7 | 64% | 0.64 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -64.6 | -31.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | E2857 F2863 | E2857-A2861 PolarHBondContact O-N 2.97Å; E2857-A2861 VanDerWaalsContact O-N 3.11Å; A2861-F2863 PolarHBondContact O-N 3.49Å; A2861-F2863 VanDerWaalsContact O-N 3.12Å |
| 2862 | D | 43.9 | Very low | 44.1 | Very low | 148.5 Ų | 148.5 | 91 Ų | 91 | 79% | 0.794 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -88 | 1.6 | -173.1 | -86 | -25.2 | 0 | 0 | 0 | 115.9 | I2860 K2864 | I2860-D2862 PolarHBondContact O-N 3.24Å; D2862-K2864 PolarHBondContact O-N 2.85Å; D2862-K2864 VanDerWaalsContact O-N 3.11Å |
| 2863 | F | 37.5 | Very low | 41.5 | Very low | 69.5 Ų | 69.5 | 95.8 Ų | 95.8 | 31% | 0.305 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -87.9 | 50.8 | -177.1 | -106.8 | -89.3 | 0 | 0 | 0 | 114.8 | V2689 R2693 V2846 D2859 I2860 A2861 | V2689-F2863 HydrophobicContact CG1-CD2 3.84Å; V2689-F2863 HydrophobicContact CG1-CE2 3.75Å; R2693-F2863 HydrophobicContact CG-CE2 3.59Å; R2693-F2863 HydrophobicContact CG-CZ 3.88Å; V2846-F2863 HydrophobicContact CG1-CB 4.06Å; V2846-F2863 HydrophobicContact CG1-CD2 4.13Å; V2846-F2863 HydrophobicContact CG1-CG 4.03Å; V2846-F2863 HydrophobicContact CG2-CD2 4.29Å; V2846-F2863 HydrophobicContact CG2-CE1 4.41Å; V2846-F2863 HydrophobicContact CG2-CE2 4.11Å; V2846-F2863 HydrophobicContact CG2-CG 4.5Å; V2846-F2863 HydrophobicContact CG2-CZ 4.18Å; D2859-F2863 HydrophobicContact CB-CD2 4.3Å; D2859-F2863 HydrophobicContact CB-CE2 4.15Å; D2859-F2863 WeakPolarHBondContact O-CB 3.33Å; D2859-F2863 WeakPolarHBondContact O-CD2 3.21Å; D2859-F2863 WeakPolarHBondContact O-CG 3.47Å; I2860-F2863 PolarHBondContact O-N 2.93Å; A2861-F2863 PolarHBondContact O-N 3.49Å; A2861-F2863 VanDerWaalsContact O-N 3.12Å |
| 2864 | K | 33 | Very low | 39.5 | Very low | 149 Ų | 149 | 99.7 Ų | 99.7 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | trans | -62 | 132.3 | 169.3 | -84.6 | 171.8 | -178.8 | 162.4 | 0 | 109.6 | E2857 D2862 A2866 | E2857-K2864 IonicContact OE1-NZ 2.99Å; D2862-K2864 PolarHBondContact O-N 2.85Å; D2862-K2864 VanDerWaalsContact O-N 3.11Å; K2864-A2866 PolarHBondContact O-N 3.07Å | ||
| 2865 | P | 26.1 | Very low | 37.6 | Very low | 118.5 Ų | 118.5 | 105 Ų | 105 | 77% | 0.769 | 59% | 0.592 | S | S | * | * | trans | -70.2 | 83.8 | 177.4 | 28.9 | -33.4 | 0 | 0 | 0 | 110.1 | V2867 | P2865-V2867 PolarHBondContact O-N 3.11Š| ||
| 2866 | A | 27.5 | Very low | 35.8 | Very low | 64.5 Ų | 64.5 | 109 Ų | 109 | 53% | 0.533 | 61% | 0.608 | S | S | . | * | trans | -100.4 | 98.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | K2864 S2868 | K2864-A2866 PolarHBondContact O-N 3.07Å; A2866-S2868 VanDerWaalsContact C-N 3.26Å; A2866-S2868 PolarHBondContact O-N 3.25Å | ||
| 2867 | V | 26.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 111.9 Ų | 111.9 | 81% | 0.812 | 62% | 0.623 | S | S | * | * | trans | -63.6 | 97.9 | 160.9 | 176.9 | 0 | 0 | 0 | 0 | 106.8 | P2865 T2869 | P2865-V2867 PolarHBondContact O-N 3.11Å; V2867-T2869 PolarHBondContact O-N 2.95Å | ||
| 2868 | S | 27 | Very low | 32.9 | Very low | 85.5 Ų | 85.5 | 112 Ų | 112 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -94.9 | 94.5 | -177.3 | -168.3 | 0 | 0 | 0 | 0 | 111 | A2866 K2870 | A2866-S2868 VanDerWaalsContact C-N 3.26Å; A2866-S2868 PolarHBondContact O-N 3.25Å; S2868-K2870 PolarHBondContact O-N 3.12Å |
| 2869 | T | 26.9 | Very low | 31.7 | Very low | 93 Ų | 93 | 114.1 Ų | 114.1 | 57% | 0.571 | 63% | 0.63 | S | S | * | * | trans | -98.3 | 71.4 | 162.8 | 45.7 | 0 | 0 | 0 | 0 | 108.9 | V2867 P2871 | V2867-T2869 PolarHBondContact O-N 2.95Å; T2869-P2871 WeakPolarHBondContact O-CD 3.49Å | ||
| 2870 | K | 27.4 | Very low | 30.6 | Very low | 159.5 Ų | 159.5 | 117.2 Ų | 117.2 | 69% | 0.693 | 65% | 0.652 | S | S | * | * | trans | -122 | 113.8 | 174.3 | -87.6 | 166.3 | -176 | 179.2 | 0 | 111.8 | S2868 | S2868-K2870 PolarHBondContact O-N 3.12Š| ||
| 2871 | P | 26 | Very low | 29.4 | Very low | 95.5 Ų | 95.5 | 122.7 Ų | 122.7 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -74 | 142 | 144.5 | -1.5 | 20.6 | 0 | 0 | 0 | 109.3 | T2869 | T2869-P2871 WeakPolarHBondContact O-CD 3.49Š|
| 2872 | I | 26.9 | Very low | 28.6 | Very low | 132.5 Ų | 132.5 | 124 Ų | 124 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | trans | -61.7 | 126.3 | 176.4 | -61.1 | 160.4 | 0 | 0 | 0 | 109.8 | I2874 | I2872-I2874 PolarHBondContact O-N 2.92Š| ||
| 2873 | P | 26.2 | Very low | 27.7 | Very low | 106.5 Ų | 106.5 | 121.5 Ų | 121.5 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | -78.4 | 116 | 176.4 | 30.5 | -30.4 | 0 | 0 | 0 | 109.9 | L2875 | P2873-L2875 PolarHBondContact O-N 3.48Š| ||
| 2874 | I | 28.8 | Very low | 27.3 | Very low | 116.5 Ų | 116.5 | 129.1 Ų | 129.1 | 60% | 0.597 | 71% | 0.713 | S | S | * | * | trans | -87.4 | 112 | 165.9 | -58.8 | 176.9 | 0 | 0 | 0 | 107 | I2872 I2876 | I2872-I2874 PolarHBondContact O-N 2.92Å; I2874-I2876 HydrophobicContact CG2-CD1 3.91Å; I2874-I2876 HydrophobicContact CG2-CG1 3.74Å; I2874-I2876 PolarHBondContact O-N 3.3Å | ||
| 2875 | L | 24.8 | Very low | 27 | Very low | 167.5 Ų | 167.5 | 130.6 Ų | 130.6 | 88% | 0.877 | 72% | 0.722 | S | S | * | * | trans | -89 | 109.8 | 175.3 | -146.6 | 112.5 | 0 | 0 | 0 | 107.5 | P2873 | P2873-L2875 PolarHBondContact O-N 3.48Š| ||
| 2876 | I | 29 | Very low | 27.2 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 57% | 0.574 | 72% | 0.721 | S | S | * | * | trans | -118.4 | 120.4 | 173.8 | -59.4 | 178.8 | 0 | 0 | 0 | 108.5 | I2874 N2878 | I2874-I2876 HydrophobicContact CG2-CD1 3.91Å; I2874-I2876 HydrophobicContact CG2-CG1 3.74Å; I2874-I2876 PolarHBondContact O-N 3.3Å; I2876-N2878 HydrophobicContact CG2-CB 4.01Å; I2876-N2878 WeakPolarHBondContact CG2-ND2 3.36Å | ||
| 2877 | D | 24.6 | Very low | 27.5 | Very low | 152.5 Ų | 152.5 | 134.4 Ų | 134.4 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | trans | -94.3 | 106.7 | -177.9 | -156.8 | 6.7 | 0 | 0 | 0 | 109.4 | ||||
| 2878 | N | 29.1 | Very low | 27.7 | Very low | 142.5 Ų | 142.5 | 136.9 Ų | 136.9 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | -103 | 92.1 | -175 | -97.9 | -9.4 | 0 | 0 | 0 | 111.6 | I2876 V2880 | I2876-N2878 HydrophobicContact CG2-CB 4.01Å; I2876-N2878 WeakPolarHBondContact CG2-ND2 3.36Å; N2878-V2880 PolarHBondContact O-N 2.91Å | ||
| 2879 | K | 25.4 | Very low | 27.7 | Very low | 190.5 Ų | 190.5 | 139.5 Ų | 139.5 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | trans | -119 | 77.3 | 168.5 | -159.5 | -179.5 | -173 | 179.2 | 0 | 112.2 | ||||
| 2880 | V | 29.3 | Very low | 27.9 | Very low | 132.5 Ų | 132.5 | 143.2 Ų | 143.2 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | trans | -125.8 | 109.4 | 160.8 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | N2878 | N2878-V2880 PolarHBondContact O-N 2.91Š| ||
| 2881 | T | 25.7 | Very low | 28.1 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -82.9 | 130.6 | 173.8 | -25.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2882 | S | 28.1 | Very low | 28.6 | Very low | 105.5 Ų | 105.5 | 145.8 Ų | 145.8 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -111.9 | 132.1 | 163 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2883 | S | 25.2 | Very low | 29.1 | Very low | 97 Ų | 97 | 144.7 Ų | 144.7 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -111.5 | 144.8 | 154.4 | 42 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2884 | Y | 30.4 | Very low | 29.8 | Very low | 228 Ų | 228 | 143 Ų | 143 | 89% | 0.894 | 74% | 0.735 | S | S | * | * | trans | 143.5 | 89 | 154.1 | -73.4 | -64.9 | 0 | 0 | 0 | 113.6 | ||||
| 2885 | E | 26.5 | Very low | 30.4 | Very low | 181.5 Ų | 181.5 | 140.1 Ų | 140.1 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | -75.6 | 141.5 | 157.6 | -66 | 178.5 | 142 | 0 | 0 | 110.8 | ||||
| 2886 | N | 30.5 | Very low | 31.6 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | -168.6 | 112.5 | 145.3 | -105.8 | -42.8 | 0 | 0 | 0 | 110.5 | ||||
| 2887 | P | 32.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | trans | -90.1 | 122.5 | 175.9 | 32.6 | -28.5 | 0 | 0 | 0 | 111.2 | ||||
| 2888 | F | 31.6 | Very low | 34.4 | Very low | 186 Ų | 186 | 127 Ų | 127 | 82% | 0.816 | 67% | 0.669 | S | S | * | * | trans | -115.6 | 136.3 | 170.2 | -83.7 | -77.6 | 0 | 0 | 0 | 112.2 | ||||
| 2889 | D | 28.2 | Very low | 36.1 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | trans | -38.4 | 125.7 | -177 | -84.9 | -55.7 | 0 | 0 | 0 | 117.4 | ||||
| 2890 | R | 30.4 | Very low | 37.9 | Very low | 170.5 Ų | 170.5 | 117.5 Ų | 117.5 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | trans | -150.4 | 61.8 | 154.3 | -110.2 | -175.6 | -116.2 | -151.9 | 2.5 | 112.7 | S2892 Y2894 | R2890-S2892 VanDerWaalsContact C-N 3.25Å; R2890-S2892 PolarHBondContact O-N 3.3Å; R2890-Y2894 HydrophobicContact CB-CE2 4.4Å; R2890-Y2894 WeakPolarHBondContact O-CD2 3.21Å; R2890-Y2894 WeakPolarHBondContact O-CE2 3.45Å | ||
| 2891 | K | 31.7 | Very low | 39.8 | Very low | 196.5 Ų | 196.5 | 116.1 Ų | 116.1 | 85% | 0.854 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 11.3 | -175.3 | -101.8 | 174.6 | 179.9 | 170.1 | 0 | 117.3 | ||
| 2892 | S | 35.1 | Very low | 42.1 | Very low | 114.5 Ų | 114.5 | 115.7 Ų | 115.7 | 80% | 0.801 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 1 | -166.1 | -165.9 | 0 | 0 | 0 | 0 | 116.8 | R2890 | R2890-S2892 VanDerWaalsContact C-N 3.25Å; R2890-S2892 PolarHBondContact O-N 3.3Å |
| 2893 | I | 39.4 | Very low | 44.3 | Very low | 109 Ų | 109 | 111.8 Ų | 111.8 | 56% | 0.559 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -126.3 | -0.8 | -172.1 | -52.8 | 179.4 | 0 | 0 | 0 | 112.7 | ||
| 2894 | Y | 40.2 | Very low | 46.6 | Very low | 71.5 Ų | 71.5 | 108.3 Ų | 108.3 | 28% | 0.28 | 55% | 0.545 | S | S | . | . | trans | -118.7 | 42.3 | -155.5 | -72.5 | -66.4 | 0 | 0 | 0 | 116.5 | R2890 S2896 S2897 I2898 R3026 | R2890-Y2894 HydrophobicContact CB-CE2 4.4Å; R2890-Y2894 WeakPolarHBondContact O-CD2 3.21Å; R2890-Y2894 WeakPolarHBondContact O-CE2 3.45Å; Y2894-S2896 VanDerWaalsContact C-N 3.32Å; Y2894-S2896 PolarHBondContact O-N 3.29Å; Y2894-S2897 VanDerWaalsContact CD1-CB 3.49Å; Y2894-S2897 PolarHBondContact O-N 3.35Å; Y2894-I2898 WeakPolarHBondContact O-CD1 3.29Å; Y2894-I2898 WeakPolarHBondContact O-CG1 3.22Å; Y2894-I2898 PolarHBondContact O-N 3.25Å; Y2894-R3026 VanDerWaalsContact CE1-NH1 3.3Å; Y2894-R3026 PolarHBondContact OH-NH1 3.11Å | ||
| 2895 | G | 40.7 | Very low | 48.8 | Very low | 55 Ų | 55 | 100.1 Ų | 100.1 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -52.6 | -47.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S2897 I2898 | G2895-S2897 VanDerWaalsContact C-N 3.35Å; G2895-S2897 PolarHBondContact O-N 3.11Å; G2895-I2898 PolarHBondContact O-N 3.49Å |
| 2896 | S | 50.8 | Low | 51.2 | Low | 49 Ų | 49 | 95.5 Ų | 95.5 | 34% | 0.343 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -79.2 | -17 | 179.7 | 60.2 | 0 | 0 | 0 | 0 | 115.2 | Y2894 I2900 N3027 | Y2894-S2896 VanDerWaalsContact C-N 3.32Å; Y2894-S2896 PolarHBondContact O-N 3.29Å; S2896-I2900 WeakPolarHBondContact O-CD1 3.28Å; S2896-I2900 VanDerWaalsContact O-CG1 3.26Å; S2896-I2900 WeakPolarHBondContact O-CG1 3.44Å; S2896-I2900 PolarHBondContact O-N 3.45Å; S2896-N3027 PolarHBondContact OG-ND2 3.02Å; S2896-N3027 PolarHBondContact OG-OD1 3.04Å |
| 2897 | S | 52.9 | Low | 53.1 | Low | 4 Ų | 4 | 88.9 Ų | 88.9 | 3% | 0.028 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 176.1 | -156.4 | 0 | 0 | 0 | 0 | 110.3 | Y2894 G2895 D2899 I2900 E2901 | Y2894-S2897 VanDerWaalsContact CD1-CB 3.49Å; Y2894-S2897 PolarHBondContact O-N 3.35Å; G2895-S2897 VanDerWaalsContact C-N 3.35Å; G2895-S2897 PolarHBondContact O-N 3.11Å; S2897-D2899 VanDerWaalsContact C-N 3.34Å; S2897-D2899 PolarHBondContact O-N 3.06Å; S2897-I2900 PolarHBondContact O-N 2.98Å; S2897-E2901 VanDerWaalsContact CB-OE1 3.32Å; S2897-E2901 WeakPolarHBondContact CB-OE1 3.14Å; S2897-E2901 WeakPolarHBondContact O-CB 3.43Å; S2897-E2901 VanDerWaalsContact O-CG 3.29Å; S2897-E2901 WeakPolarHBondContact O-CG 3.36Å; S2897-E2901 PolarHBondContact O-N 3.16Å; S2897-E2901 PolarHBondContact OG-OE1 3.39Å |
| 2898 | I | 59.7 | Low | 55 | Low | 102.5 Ų | 102.5 | 86.1 Ų | 86.1 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 179.4 | -65 | 161.9 | 0 | 0 | 0 | 110.9 | Y2894 G2895 I2900 K2902 | Y2894-I2898 WeakPolarHBondContact O-CD1 3.29Å; Y2894-I2898 WeakPolarHBondContact O-CG1 3.22Å; Y2894-I2898 PolarHBondContact O-N 3.25Å; G2895-I2898 PolarHBondContact O-N 3.49Å; I2898-I2900 PolarHBondContact O-N 2.96Å; I2898-K2902 WeakPolarHBondContact O-CB 3.36Å; I2898-K2902 PolarHBondContact O-N 3.45Å |
| 2899 | D | 63.7 | Low | 56.8 | Low | 109 Ų | 109 | 81 Ų | 81 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.7 | -37.1 | 178.9 | -67.2 | -35.3 | 0 | 0 | 0 | 112.4 | S2897 S2903 | S2897-D2899 VanDerWaalsContact C-N 3.34Å; S2897-D2899 PolarHBondContact O-N 3.06Å; D2899-S2903 WeakPolarHBondContact O-CB 3.39Å; D2899-S2903 PolarHBondContact O-N 3.44Å |
| 2900 | I | 63.3 | Low | 58.5 | Low | 24.5 Ų | 24.5 | 76.9 Ų | 76.9 | 13% | 0.126 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -76.9 | -39.6 | 178.9 | -58.6 | 169.4 | 0 | 0 | 0 | 111.1 | S2896 S2897 I2898 K2902 S2903 I2904 H3030 | S2896-I2900 WeakPolarHBondContact O-CD1 3.28Å; S2896-I2900 VanDerWaalsContact O-CG1 3.26Å; S2896-I2900 WeakPolarHBondContact O-CG1 3.44Å; S2896-I2900 PolarHBondContact O-N 3.45Å; S2897-I2900 PolarHBondContact O-N 2.98Å; I2898-I2900 PolarHBondContact O-N 2.96Å; I2900-K2902 VanDerWaalsContact C-N 3.3Å; I2900-K2902 PolarHBondContact O-N 2.95Å; I2900-S2903 CarbonylContact O-C 3.59Å; I2900-S2903 WeakPolarHBondContact O-CB 3.3Å; I2900-S2903 PolarHBondContact O-N 3.02Å; I2900-S2903 VanDerWaalsContact O-N 3.16Å; I2900-I2904 HydrophobicContact CG2-CD1 4.2Å; I2900-I2904 WeakPolarHBondContact O-CG1 3.35Å; I2900-I2904 PolarHBondContact O-N 3.1Å; I2900-H3030 WeakPolarHBondContact CB-ND1 3.39Å; I2900-H3030 HydrophobicContact CD1-CB 4.25Å; I2900-H3030 WeakPolarHBondContact CG2-ND1 3.45Å; I2900-H3030 WeakPolarHBondContact CG2-O 3.5Å |
| 2901 | E | 68.8 | Low | 59.5 | Low | 104.5 Ų | 104.5 | 70.5 Ų | 70.5 | 49% | 0.488 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 171.9 | -75.1 | 165.5 | -143.3 | 0 | 0 | 110.9 | S2897 I2904 A2905 | S2897-E2901 VanDerWaalsContact CB-OE1 3.32Å; S2897-E2901 WeakPolarHBondContact CB-OE1 3.14Å; S2897-E2901 WeakPolarHBondContact O-CB 3.43Å; S2897-E2901 VanDerWaalsContact O-CG 3.29Å; S2897-E2901 WeakPolarHBondContact O-CG 3.36Å; S2897-E2901 PolarHBondContact O-N 3.16Å; S2897-E2901 PolarHBondContact OG-OE1 3.39Å; E2901-I2904 PolarHBondContact O-N 3.39Å; E2901-A2905 WeakPolarHBondContact O-CB 3.45Å; E2901-A2905 PolarHBondContact O-N 3.02Å |
| 2902 | K | 75.1 | Confident | 60.4 | Low | 119.5 Ų | 119.5 | 66.3 Ų | 66.3 | 52% | 0.52 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 171.4 | -174.7 | 179.9 | 179.7 | -119.2 | 0 | 111.7 | I2898 I2900 I2904 A2905 E2906 | I2898-K2902 WeakPolarHBondContact O-CB 3.36Å; I2898-K2902 PolarHBondContact O-N 3.45Å; I2900-K2902 VanDerWaalsContact C-N 3.3Å; I2900-K2902 PolarHBondContact O-N 2.95Å; K2902-I2904 PolarHBondContact O-N 3.48Å; K2902-A2905 CarbonylContact O-C 3.58Å; K2902-A2905 WeakPolarHBondContact O-CB 3.45Å; K2902-A2905 PolarHBondContact O-N 3.24Å; K2902-E2906 WeakPolarHBondContact CE-OE1 3.35Å; K2902-E2906 IonicContact NZ-OE1 3.21Å; K2902-E2906 PolarHBondContact NZ-OE1 2.76Å; K2902-E2906 WeakPolarHBondContact O-CB 3.42Å; K2902-E2906 VanDerWaalsContact O-CG 3.32Å; K2902-E2906 WeakPolarHBondContact O-CG 3.35Å; K2902-E2906 PolarHBondContact O-N 2.97Å |
| 2903 | S | 74 | Confident | 60.7 | Low | 23.5 Ų | 23.5 | 68.3 Ų | 68.3 | 16% | 0.164 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 175.2 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | D2899 I2900 E2906 A2907 S3034 W3038 | D2899-S2903 WeakPolarHBondContact O-CB 3.39Å; D2899-S2903 PolarHBondContact O-N 3.44Å; I2900-S2903 CarbonylContact O-C 3.59Å; I2900-S2903 WeakPolarHBondContact O-CB 3.3Å; I2900-S2903 PolarHBondContact O-N 3.02Å; I2900-S2903 VanDerWaalsContact O-N 3.16Å; S2903-E2906 PolarHBondContact O-N 3.12Å; S2903-A2907 WeakPolarHBondContact O-CB 3.33Å; S2903-A2907 PolarHBondContact O-N 3.04Å; S2903-S3034 PolarHBondContact OG-OG 2.94Å; S2903-W3038 PolarHBondContact O-NE1 3.31Å; S2903-W3038 PolarHBondContact OG-NE1 3.47Å |
| 2904 | I | 74.3 | Confident | 60.9 | Low | 23.5 Ų | 23.5 | 67.5 Ų | 67.5 | 12% | 0.121 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 172.8 | -68.3 | 164.3 | 0 | 0 | 0 | 110.4 | I2900 E2901 K2902 E2906 A2907 N2908 L3033 Y3037 | I2900-I2904 HydrophobicContact CG2-CD1 4.2Å; I2900-I2904 WeakPolarHBondContact O-CG1 3.35Å; I2900-I2904 PolarHBondContact O-N 3.1Å; E2901-I2904 PolarHBondContact O-N 3.39Å; K2902-I2904 PolarHBondContact O-N 3.48Å; I2904-E2906 VanDerWaalsContact C-N 3.35Å; I2904-E2906 PolarHBondContact O-N 2.95Å; I2904-A2907 PolarHBondContact O-N 3.35Å; I2904-N2908 WeakPolarHBondContact O-CB 3.38Å; I2904-N2908 PolarHBondContact O-N 3.29Å; I2904-N2908 PolarHBondContact O-ND2 3.31Å; I2904-L3033 HydrophobicContact CD1-CD2 4.33Å; I2904-L3033 HydrophobicContact CD1-CG 4.34Å; I2904-Y3037 HydrophobicContact CG1-CD2 4.13Å; I2904-Y3037 HydrophobicContact CG2-CD1 4.39Å; I2904-Y3037 HydrophobicContact CG2-CD2 3.84Å; I2904-Y3037 HydrophobicContact CG2-CE2 4.09Å; I2904-Y3037 HydrophobicContact CG2-CG 4.02Å |
| 2905 | A | 75.3 | Confident | 60.8 | Low | 56.5 Ų | 56.5 | 69.2 Ų | 69.2 | 47% | 0.467 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E2901 K2902 N2908 A2909 | E2901-A2905 WeakPolarHBondContact O-CB 3.45Å; E2901-A2905 PolarHBondContact O-N 3.02Å; K2902-A2905 CarbonylContact O-C 3.58Å; K2902-A2905 WeakPolarHBondContact O-CB 3.45Å; K2902-A2905 PolarHBondContact O-N 3.24Å; A2905-N2908 CarbonylContact O-C 3.55Å; A2905-N2908 PolarHBondContact O-N 3.3Å; A2905-A2909 VanDerWaalsContact O-CB 3.24Å; A2905-A2909 WeakPolarHBondContact O-CB 3.28Å; A2905-A2909 PolarHBondContact O-N 3.09Å |
| 2906 | E | 76.8 | Confident | 60.7 | Low | 84.5 Ų | 84.5 | 74.8 Ų | 74.8 | 40% | 0.395 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 173.8 | -75.2 | 170.5 | -172.7 | 0 | 0 | 111.5 | K2902 S2903 I2904 N2908 A2909 T2910 W3038 | K2902-E2906 WeakPolarHBondContact CE-OE1 3.35Å; K2902-E2906 IonicContact NZ-OE1 3.21Å; K2902-E2906 PolarHBondContact NZ-OE1 2.76Å; K2902-E2906 WeakPolarHBondContact O-CB 3.42Å; K2902-E2906 VanDerWaalsContact O-CG 3.32Å; K2902-E2906 WeakPolarHBondContact O-CG 3.35Å; K2902-E2906 PolarHBondContact O-N 2.97Å; S2903-E2906 PolarHBondContact O-N 3.12Å; I2904-E2906 VanDerWaalsContact C-N 3.35Å; I2904-E2906 PolarHBondContact O-N 2.95Å; E2906-N2908 VanDerWaalsContact C-N 3.27Å; E2906-N2908 PolarHBondContact O-N 3.06Å; E2906-A2909 PolarHBondContact O-N 2.97Å; E2906-T2910 PolarHBondContact O-N 3.11Å; E2906-T2910 PolarHBondContact O-OG1 2.91Å; E2906-W3038 HydrophobicContact CB-CH2 4.07Å; E2906-W3038 HydrophobicContact CB-CZ2 3.87Å |
| 2907 | A | 71.4 | Confident | 60.1 | Low | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2903 I2904 W3038 R3044 | S2903-A2907 WeakPolarHBondContact O-CB 3.33Å; S2903-A2907 PolarHBondContact O-N 3.04Å; I2904-A2907 PolarHBondContact O-N 3.35Å; A2907-W3038 HydrophobicContact CB-CD2 3.61Å; A2907-W3038 HydrophobicContact CB-CE3 3.94Å; A2907-W3038 HydrophobicContact CB-CG 3.95Å; A2907-W3038 HydrophobicContact CB-CH2 4.42Å; A2907-W3038 HydrophobicContact CB-CZ2 4.13Å; A2907-W3038 HydrophobicContact CB-CZ3 4.32Å; A2907-R3044 PolarHBondContact O-NH2 3.1Å; A2907-R3044 VanDerWaalsContact O-NH2 3.13Å |
| 2908 | N | 72.6 | Confident | 59.4 | Low | 64 Ų | 64 | 80.6 Ų | 80.6 | 34% | 0.342 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.5 | -36.5 | 175 | -74.3 | -29.7 | 0 | 0 | 0 | 112.8 | I2904 A2905 E2906 T2910 A2911 Y3037 | I2904-N2908 WeakPolarHBondContact O-CB 3.38Å; I2904-N2908 PolarHBondContact O-N 3.29Å; I2904-N2908 PolarHBondContact O-ND2 3.31Å; A2905-N2908 CarbonylContact O-C 3.55Å; A2905-N2908 PolarHBondContact O-N 3.3Å; E2906-N2908 VanDerWaalsContact C-N 3.27Å; E2906-N2908 PolarHBondContact O-N 3.06Å; N2908-T2910 VanDerWaalsContact C-N 3.3Å; N2908-T2910 PolarHBondContact O-N 3.09Å; N2908-A2911 WeakPolarHBondContact O-CA 3.28Å; N2908-A2911 WeakPolarHBondContact O-CB 3.33Å; N2908-A2911 PolarHBondContact O-N 3.29Å; N2908-Y3037 WeakPolarHBondContact OD1-CD1 3.46Å |
| 2909 | A | 68.7 | Low | 58.3 | Low | 80 Ų | 80 | 81 Ų | 81 | 66% | 0.661 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.2 | -21.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A2905 E2906 A2911 | A2905-A2909 VanDerWaalsContact O-CB 3.24Å; A2905-A2909 WeakPolarHBondContact O-CB 3.28Å; A2905-A2909 PolarHBondContact O-N 3.09Å; E2906-A2909 PolarHBondContact O-N 2.97Å; A2909-A2911 PolarHBondContact O-N 3.12Å |
| 2910 | T | 63.8 | Low | 57.1 | Low | 53 Ų | 53 | 81 Ų | 81 | 33% | 0.325 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.9 | 167.8 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | E2906 N2908 V2912 | E2906-T2910 PolarHBondContact O-N 3.11Å; E2906-T2910 PolarHBondContact O-OG1 2.91Å; N2908-T2910 VanDerWaalsContact C-N 3.3Å; N2908-T2910 PolarHBondContact O-N 3.09Å; T2910-V2912 PolarHBondContact O-N 3.18Å |
| 2911 | A | 50.4 | Low | 55.6 | Low | 36 Ų | 36 | 84.5 Ų | 84.5 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | trans | -79.4 | 104.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | N2908 A2909 | N2908-A2911 WeakPolarHBondContact O-CA 3.28Å; N2908-A2911 WeakPolarHBondContact O-CB 3.33Å; N2908-A2911 PolarHBondContact O-N 3.29Å; A2909-A2911 PolarHBondContact O-N 3.12Å | ||
| 2912 | V | 50.8 | Low | 53.9 | Low | 109 Ų | 109 | 84.3 Ų | 84.3 | 66% | 0.661 | 50% | 0.5 | S | S | * | . | trans | -68.1 | 134.7 | 158.8 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | T2910 I2914 | T2910-V2912 PolarHBondContact O-N 3.18Å; V2912-I2914 PolarHBondContact O-N 3.13Å | ||
| 2913 | D | 41.9 | Very low | 52.1 | Low | 156 Ų | 156 | 82.2 Ų | 82.2 | 83% | 0.834 | 50% | 0.501 | S | S | * | . | trans | -45.3 | 102.6 | -178 | -72.3 | -50.1 | 0 | 0 | 0 | 112.5 | D2915 | D2913-D2915 PolarHBondContact O-N 3.48Š| ||
| 2914 | I | 42.8 | Very low | 50.8 | Low | 91 Ų | 91 | 83.5 Ų | 83.5 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | trans | -80.3 | 103 | 161.4 | -60 | 178.3 | 0 | 0 | 0 | 105.6 | V2912 H2916 L2919 | V2912-I2914 PolarHBondContact O-N 3.13Å; I2914-H2916 PolarHBondContact O-N 3.08Å; I2914-L2919 HydrophobicContact CG2-CD1 3.68Å | ||
| 2915 | D | 38.3 | Very low | 49.5 | Very low | 108.5 Ų | 108.5 | 84.8 Ų | 84.8 | 58% | 0.58 | 52% | 0.519 | S | S | * | . | trans | -47.1 | 107.7 | -176.1 | -147.7 | -28.2 | 0 | 0 | 0 | 111.7 | D2913 S2917 T2918 | D2913-D2915 PolarHBondContact O-N 3.48Å; D2915-S2917 PolarHBondContact O-N 3.21Å; D2915-S2917 PolarHBondContact OD1-N 3.44Å; D2915-S2917 PolarHBondContact OD1-OG 3.23Å; D2915-T2918 PolarHBondContact O-N 2.98Å; D2915-T2918 PolarHBondContact O-OG1 3.17Å | ||
| 2916 | H | 38.8 | Very low | 48.4 | Very low | 171.5 Ų | 171.5 | 84.6 Ų | 84.6 | 79% | 0.794 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -10.7 | -177.5 | -84.3 | -69.9 | 0 | 0 | 0 | 113.7 | I2914 T2918 | I2914-H2916 PolarHBondContact O-N 3.08Å; H2916-T2918 VanDerWaalsContact C-N 3.25Å; H2916-T2918 PolarHBondContact O-N 3.25Å |
| 2917 | S | 39.4 | Very low | 47.8 | Very low | 82 Ų | 82 | 82.6 Ų | 82.6 | 57% | 0.573 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -14.5 | 176.2 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | D2915 | D2915-S2917 PolarHBondContact O-N 3.21Å; D2915-S2917 PolarHBondContact OD1-N 3.44Å; D2915-S2917 PolarHBondContact OD1-OG 3.23Å |
| 2918 | T | 37.2 | Very low | 47.7 | Very low | 94 Ų | 94 | 83.7 Ų | 83.7 | 58% | 0.577 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -105.3 | -6.7 | -176.6 | 57.8 | 0 | 0 | 0 | 0 | 115 | D2915 H2916 | D2915-T2918 PolarHBondContact O-N 2.98Å; D2915-T2918 PolarHBondContact O-OG1 3.17Å; H2916-T2918 VanDerWaalsContact C-N 3.25Å; H2916-T2918 PolarHBondContact O-N 3.25Å |
| 2919 | L | 37.4 | Very low | 47.7 | Very low | 109.5 Ų | 109.5 | 82.5 Ų | 82.5 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.7 | -173.7 | -100.1 | 92.2 | 0 | 0 | 0 | 115.6 | I2914 S2921 | I2914-L2919 HydrophobicContact CG2-CD1 3.68Å; L2919-S2921 VanDerWaalsContact C-N 3.31Å; L2919-S2921 PolarHBondContact O-N 3.03Å |
| 2920 | S | 37.7 | Very low | 47.9 | Very low | 111 Ų | 111 | 82.6 Ų | 82.6 | 78% | 0.776 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 0.3 | -177 | 49.2 | 0 | 0 | 0 | 0 | 115 | ||
| 2921 | S | 33 | Very low | 48.7 | Very low | 97.5 Ų | 97.5 | 80.7 Ų | 80.7 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -150.3 | 69.5 | -178.7 | 58.4 | 0 | 0 | 0 | 0 | 115.7 | L2919 | L2919-S2921 VanDerWaalsContact C-N 3.31Å; L2919-S2921 PolarHBondContact O-N 3.03Å |
| 2922 | S | 31.5 | Very low | 50.2 | Low | 100 Ų | 100 | 79 Ų | 79 | 70% | 0.699 | 48% | 0.481 | S | S | * | . | trans | 135.4 | 109.4 | 165.7 | 53.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 2923 | S | 37.9 | Very low | 51.7 | Low | 76 Ų | 76 | 77.5 Ų | 77.5 | 53% | 0.531 | 47% | 0.466 | S | S | . | . | trans | -133.4 | 134.1 | 170.1 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | T2925 | S2923-T2925 VanDerWaalsContact C-N 3.32Å; S2923-T2925 PolarHBondContact O-N 2.98Å | ||
| 2924 | S | 45.8 | Very low | 53.7 | Low | 50.5 Ų | 50.5 | 75.2 Ų | 75.2 | 35% | 0.353 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -147.1 | -12.3 | 169 | 54.8 | 0 | 0 | 0 | 0 | 115 | S2926 I3055 | S2924-S2926 VanDerWaalsContact C-N 3.31Å; S2924-S2926 PolarHBondContact O-N 3.47Å; S2924-I3055 PolarHBondContact OG-O 3.31Å |
| 2925 | T | 47.4 | Very low | 55.7 | Low | 50.5 Ų | 50.5 | 71.3 Ų | 71.3 | 31% | 0.31 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.8 | 177.5 | 40.5 | 0 | 0 | 0 | 0 | 114.5 | S2923 G2927 P3054 | S2923-T2925 VanDerWaalsContact C-N 3.32Å; S2923-T2925 PolarHBondContact O-N 2.98Å; T2925-G2927 VanDerWaalsContact C-N 3.27Å; T2925-G2927 PolarHBondContact O-N 3.27Å; T2925-P3054 VanDerWaalsContact CG2-CA 3.44Å; T2925-P3054 HydrophobicContact CG2-CB 3.9Å; T2925-P3054 HydrophobicContact CG2-CG 4.37Å |
| 2926 | S | 52.5 | Low | 58 | Low | 51.5 Ų | 51.5 | 66.2 Ų | 66.2 | 36% | 0.36 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.8 | -20.9 | 178.7 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | S2924 V2928 Q2929 N2930 | S2924-S2926 VanDerWaalsContact C-N 3.31Å; S2924-S2926 PolarHBondContact O-N 3.47Å; S2926-V2928 PolarHBondContact O-N 3.31Å; S2926-Q2929 PolarHBondContact O-N 3.34Å; S2926-N2930 VanDerWaalsContact O-CB 3.26Å; S2926-N2930 WeakPolarHBondContact O-CB 3.39Å; S2926-N2930 PolarHBondContact O-N 2.95Å; S2926-N2930 PolarHBondContact O-ND2 3.1Å; S2926-N2930 PolarHBondContact O-OD1 3.11Å |
| 2927 | G | 63.4 | Low | 60.1 | Low | 42.5 Ų | 42.5 | 58.6 Ų | 58.6 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T2925 A2931 | T2925-G2927 VanDerWaalsContact C-N 3.27Å; T2925-G2927 PolarHBondContact O-N 3.27Å; G2927-A2931 VanDerWaalsContact O-CB 3.26Å; G2927-A2931 WeakPolarHBondContact O-CB 3.23Å; G2927-A2931 PolarHBondContact O-N 3.12Å; G2927-A2931 VanDerWaalsContact O-N 3.11Å |
| 2928 | V | 69.5 | Low | 62.4 | Low | 24 Ų | 24 | 57.8 Ų | 57.8 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.4 | -41.4 | 179.9 | -171.3 | 0 | 0 | 0 | 0 | 110.9 | S2926 A2931 L2932 A3070 L3073 I3074 | S2926-V2928 PolarHBondContact O-N 3.31Å; V2928-A2931 PolarHBondContact O-N 3.29Å; V2928-L2932 WeakPolarHBondContact O-CG 3.41Å; V2928-L2932 PolarHBondContact O-N 3.22Å; V2928-A3070 HydrophobicContact CG2-CB 3.77Å; V2928-L3073 HydrophobicContact CG1-CD2 4.08Å; V2928-I3074 HydrophobicContact CB-CD1 4.42Å; V2928-I3074 HydrophobicContact CG1-CD1 4.32Å; V2928-I3074 HydrophobicContact CG1-CG1 3.97Å; V2928-I3074 HydrophobicContact CG2-CD1 4.18Å |
| 2929 | Q | 73 | Confident | 64.7 | Low | 38.5 Ų | 38.5 | 53.3 Ų | 53.3 | 18% | 0.18 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | -179.5 | -176.4 | 64 | 35.1 | 0 | 0 | 111.4 | S2926 A2931 L2932 Q2933 | S2926-Q2929 PolarHBondContact O-N 3.34Å; Q2929-A2931 VanDerWaalsContact C-N 3.34Å; Q2929-L2932 PolarHBondContact O-N 3.28Å; Q2929-Q2933 WeakPolarHBondContact O-CB 3.45Å; Q2929-Q2933 PolarHBondContact O-N 3.04Å |
| 2930 | N | 73.9 | Confident | 67 | Low | 81.5 Ų | 81.5 | 51.5 Ų | 51.5 | 44% | 0.436 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.4 | -67.2 | -1.2 | 0 | 0 | 0 | 109.9 | S2926 L2932 Q2933 D2934 | S2926-N2930 VanDerWaalsContact O-CB 3.26Å; S2926-N2930 WeakPolarHBondContact O-CB 3.39Å; S2926-N2930 PolarHBondContact O-N 2.95Å; S2926-N2930 PolarHBondContact O-ND2 3.1Å; S2926-N2930 PolarHBondContact O-OD1 3.11Å; N2930-L2932 VanDerWaalsContact C-N 3.34Å; N2930-L2932 PolarHBondContact O-N 3.26Å; N2930-Q2933 CarbonylContact O-C 3.6Å; N2930-Q2933 PolarHBondContact O-N 3.2Å; N2930-D2934 WeakPolarHBondContact O-CB 3.2Å; N2930-D2934 PolarHBondContact O-N 3.22Å |
| 2931 | A | 80.5 | Confident | 69.2 | Low | 14 Ų | 14 | 52.4 Ų | 52.4 | 12% | 0.116 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G2927 V2928 Q2929 Q2933 D2934 L2935 I3074 | G2927-A2931 VanDerWaalsContact O-CB 3.26Å; G2927-A2931 WeakPolarHBondContact O-CB 3.23Å; G2927-A2931 PolarHBondContact O-N 3.12Å; G2927-A2931 VanDerWaalsContact O-N 3.11Å; V2928-A2931 PolarHBondContact O-N 3.29Å; Q2929-A2931 VanDerWaalsContact C-N 3.34Å; A2931-Q2933 VanDerWaalsContact C-N 3.33Å; A2931-Q2933 PolarHBondContact O-N 3.19Å; A2931-D2934 PolarHBondContact O-N 3.46Å; A2931-L2935 VanDerWaalsContact O-CB 3.32Å; A2931-L2935 WeakPolarHBondContact O-CB 3.39Å; A2931-L2935 VanDerWaalsContact O-CD1 3.28Å; A2931-L2935 WeakPolarHBondContact O-CD1 3.31Å; A2931-L2935 WeakPolarHBondContact O-CG 3.41Å; A2931-L2935 PolarHBondContact O-N 3.2Å; A2931-L2935 VanDerWaalsContact O-N 3.08Å; A2931-I3074 HydrophobicContact CB-CD1 4.25Å; A2931-I3074 HydrophobicContact CB-CG1 4.19Å |
| 2932 | L | 82.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 174.4 | -69.8 | -174.3 | 0 | 0 | 0 | 112.1 | V2928 Q2929 N2930 A2936 M3036 A3039 A3040 Q3043 A3077 | V2928-L2932 WeakPolarHBondContact O-CG 3.41Å; V2928-L2932 PolarHBondContact O-N 3.22Å; Q2929-L2932 PolarHBondContact O-N 3.28Å; N2930-L2932 VanDerWaalsContact C-N 3.34Å; N2930-L2932 PolarHBondContact O-N 3.26Å; L2932-A2936 WeakPolarHBondContact O-CB 3.32Å; L2932-A2936 PolarHBondContact O-N 3.21Å; L2932-M3036 HydrophobicContact CD2-SD 3.9Å; L2932-A3039 HydrophobicContact CD1-CB 4.43Å; L2932-A3040 HydrophobicContact CB-CB 4.46Å; L2932-A3040 HydrophobicContact CD1-CB 4.23Å; L2932-Q3043 HydrophobicContact CD1-CB 4.44Å; L2932-A3077 HydrophobicContact CD2-CB 3.36Å |
| 2933 | Q | 82.3 | Confident | 74 | Confident | 77 Ų | 77 | 44 Ų | 44 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.8 | -39.8 | 178.5 | -164.1 | 65.1 | 40.5 | 0 | 0 | 112.3 | Q2929 N2930 A2931 L2935 A2936 G2937 Y3037 | Q2929-Q2933 WeakPolarHBondContact O-CB 3.45Å; Q2929-Q2933 PolarHBondContact O-N 3.04Å; N2930-Q2933 CarbonylContact O-C 3.6Å; N2930-Q2933 PolarHBondContact O-N 3.2Å; A2931-Q2933 VanDerWaalsContact C-N 3.33Å; A2931-Q2933 PolarHBondContact O-N 3.19Å; Q2933-L2935 VanDerWaalsContact C-N 3.34Å; Q2933-A2936 WeakPolarHBondContact O-CB 3.32Å; Q2933-A2936 PolarHBondContact O-N 3.18Å; Q2933-G2937 PolarHBondContact O-N 3.36Å; Q2933-Y3037 PolarHBondContact NE2-OH 3.4Å |
| 2934 | D | 83.1 | Confident | 76 | Confident | 108 Ų | 108 | 46.6 Ų | 46.6 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 175.3 | -67.4 | -26.2 | 0 | 0 | 0 | 110.8 | N2930 A2931 G2937 E2938 | N2930-D2934 WeakPolarHBondContact O-CB 3.2Å; N2930-D2934 PolarHBondContact O-N 3.22Å; A2931-D2934 PolarHBondContact O-N 3.46Å; D2934-G2937 PolarHBondContact O-N 3.12Å; D2934-E2938 PolarHBondContact O-N 3.41Å; D2934-E2938 VanDerWaalsContact O-N 3.08Å |
| 2935 | L | 85.8 | Confident | 77.7 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 175.1 | -69.2 | 168.2 | 0 | 0 | 0 | 112.3 | A2931 Q2933 G2937 E2938 I2939 M3036 A3077 R3078 A3081 | A2931-L2935 VanDerWaalsContact O-CB 3.32Å; A2931-L2935 WeakPolarHBondContact O-CB 3.39Å; A2931-L2935 VanDerWaalsContact O-CD1 3.28Å; A2931-L2935 WeakPolarHBondContact O-CD1 3.31Å; A2931-L2935 WeakPolarHBondContact O-CG 3.41Å; A2931-L2935 PolarHBondContact O-N 3.2Å; A2931-L2935 VanDerWaalsContact O-N 3.08Å; Q2933-L2935 VanDerWaalsContact C-N 3.34Å; L2935-G2937 VanDerWaalsContact C-N 3.32Å; L2935-E2938 WeakPolarHBondContact O-CB 3.08Å; L2935-E2938 PolarHBondContact O-N 3.05Å; L2935-I2939 WeakPolarHBondContact O-CG1 3.29Å; L2935-I2939 PolarHBondContact O-N 3.1Å; L2935-I2939 VanDerWaalsContact O-N 3.14Å; L2935-M3036 HydrophobicContact CB-CE 4.18Å; L2935-A3077 HydrophobicContact CD1-CB 3.78Å; L2935-R3078 HydrophobicContact CD1-CG 3.72Å; L2935-R3078 HydrophobicContact CD2-CG 3.93Å; L2935-R3078 HydrophobicContact CG-CG 4.47Å; L2935-A3081 HydrophobicContact CB-CB 4.39Å; L2935-A3081 HydrophobicContact CD2-CB 3.86Å |
| 2936 | A | 84.9 | Confident | 79.3 | Confident | 1.5 Ų | 1.5 | 45.7 Ų | 45.7 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -44 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L2932 Q2933 E2938 I2939 E2940 L3033 M3036 Y3037 | L2932-A2936 WeakPolarHBondContact O-CB 3.32Å; L2932-A2936 PolarHBondContact O-N 3.21Å; Q2933-A2936 WeakPolarHBondContact O-CB 3.32Å; Q2933-A2936 PolarHBondContact O-N 3.18Å; A2936-E2938 VanDerWaalsContact C-N 3.31Å; A2936-E2938 PolarHBondContact O-N 3.45Å; A2936-I2939 CarbonylContact O-C 3.58Å; A2936-I2939 WeakPolarHBondContact O-CA 3.34Å; A2936-I2939 WeakPolarHBondContact O-CB 3.38Å; A2936-I2939 PolarHBondContact O-N 2.98Å; A2936-E2940 WeakPolarHBondContact O-CG 3.37Å; A2936-E2940 PolarHBondContact O-N 3.04Å; A2936-L3033 HydrophobicContact CB-CD1 4.11Å; A2936-M3036 HydrophobicContact CB-CB 4.35Å; A2936-M3036 HydrophobicContact CB-CG 3.84Å; A2936-Y3037 HydrophobicContact CB-CE2 4.48Å |
| 2937 | G | 84.3 | Confident | 80.4 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 12% | 0.124 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -30.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q2933 D2934 L2935 R2941 | Q2933-G2937 PolarHBondContact O-N 3.36Å; D2934-G2937 PolarHBondContact O-N 3.12Å; L2935-G2937 VanDerWaalsContact C-N 3.32Å; G2937-R2941 WeakPolarHBondContact O-CG 3.42Å; G2937-R2941 PolarHBondContact O-N 2.92Å; G2937-R2941 VanDerWaalsContact O-N 3.15Å; G2937-R2941 PolarHBondContact O-NE 3.15Å |
| 2938 | E | 86.1 | Confident | 81 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 30% | 0.304 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 169.4 | -90.1 | -178.2 | -159.5 | 0 | 0 | 112.7 | D2934 L2935 A2936 R2941 S2942 | D2934-E2938 PolarHBondContact O-N 3.41Å; D2934-E2938 VanDerWaalsContact O-N 3.08Å; L2935-E2938 WeakPolarHBondContact O-CB 3.08Å; L2935-E2938 PolarHBondContact O-N 3.05Å; A2936-E2938 VanDerWaalsContact C-N 3.31Å; A2936-E2938 PolarHBondContact O-N 3.45Å; E2938-R2941 PolarHBondContact O-N 2.86Å; E2938-S2942 PolarHBondContact O-N 3.32Å; E2938-S2942 PolarHBondContact O-OG 3.18Å |
| 2939 | I | 86.1 | Confident | 81 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.1 | -38.1 | 176.9 | -61.9 | 170.2 | 0 | 0 | 0 | 110.4 | L2935 A2936 R2941 S2942 V2943 V3029 L3033 M3036 V3080 A3081 A3084 | L2935-I2939 WeakPolarHBondContact O-CG1 3.29Å; L2935-I2939 PolarHBondContact O-N 3.1Å; L2935-I2939 VanDerWaalsContact O-N 3.14Å; A2936-I2939 CarbonylContact O-C 3.58Å; A2936-I2939 WeakPolarHBondContact O-CA 3.34Å; A2936-I2939 WeakPolarHBondContact O-CB 3.38Å; A2936-I2939 PolarHBondContact O-N 2.98Å; I2939-R2941 PolarHBondContact O-N 3.1Å; I2939-S2942 CarbonylContact O-C 3.35Å; I2939-S2942 VanDerWaalsContact O-CA 3.32Å; I2939-S2942 WeakPolarHBondContact O-CA 3.31Å; I2939-S2942 WeakPolarHBondContact O-CB 3.33Å; I2939-S2942 PolarHBondContact O-N 2.99Å; I2939-V2943 WeakPolarHBondContact O-CG2 3.27Å; I2939-V2943 PolarHBondContact O-N 3.21Å; I2939-V3029 HydrophobicContact CG2-CG1 3.83Å; I2939-L3033 HydrophobicContact CB-CD1 4.17Å; I2939-L3033 HydrophobicContact CG2-CB 3.82Å; I2939-L3033 HydrophobicContact CG2-CD1 4.13Å; I2939-M3036 HydrophobicContact CD1-CB 4.5Å; I2939-M3036 HydrophobicContact CD1-CE 3.62Å; I2939-V3080 HydrophobicContact CD1-CG1 4.41Å; I2939-A3081 HydrophobicContact CD1-CB 4.27Å; I2939-A3081 HydrophobicContact CG1-CB 4.15Å; I2939-A3084 HydrophobicContact CG1-CB 4.28Å |
| 2940 | E | 85.3 | Confident | 80.8 | Confident | 71.5 Ų | 71.5 | 46.9 Ų | 46.9 | 33% | 0.334 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 173.2 | -73 | 173 | 165.7 | 0 | 0 | 111.6 | A2936 S2942 V2943 E2944 L3033 Y3037 | A2936-E2940 WeakPolarHBondContact O-CG 3.37Å; A2936-E2940 PolarHBondContact O-N 3.04Å; E2940-S2942 PolarHBondContact O-N 2.99Å; E2940-S2942 VanDerWaalsContact O-N 3.08Å; E2940-V2943 WeakPolarHBondContact O-CA 3.38Å; E2940-V2943 WeakPolarHBondContact O-CB 3.34Å; E2940-V2943 PolarHBondContact O-N 3.34Å; E2940-V2943 VanDerWaalsContact O-N 3.08Å; E2940-E2944 PolarHBondContact O-N 3.03Å; E2940-L3033 HydrophobicContact CG-CD1 3.73Å; E2940-L3033 HydrophobicContact CG-CD2 3.67Å; E2940-L3033 HydrophobicContact CG-CG 4.36Å; E2940-Y3037 PolarHBondContact OE1-OH 2.74Å |
| 2941 | R | 84.4 | Confident | 80.2 | Confident | 130.5 Ų | 130.5 | 45.7 Ų | 45.7 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.3 | -26.1 | 172.7 | -72.2 | 178.9 | -119.2 | 119.1 | 4.6 | 113 | G2937 E2938 I2939 R2945 | G2937-R2941 WeakPolarHBondContact O-CG 3.42Å; G2937-R2941 PolarHBondContact O-N 2.92Å; G2937-R2941 VanDerWaalsContact O-N 3.15Å; G2937-R2941 PolarHBondContact O-NE 3.15Å; E2938-R2941 PolarHBondContact O-N 2.86Å; I2939-R2941 PolarHBondContact O-N 3.1Å; R2941-R2945 WeakPolarHBondContact O-CB 3.43Å; R2941-R2945 VanDerWaalsContact O-CG 3.31Å; R2941-R2945 WeakPolarHBondContact O-CG 3.34Å; R2941-R2945 PolarHBondContact O-N 3.12Å; R2941-R2945 VanDerWaalsContact O-N 3.14Å; R2941-R2945 PolarHBondContact O-NE 3.05Å |
| 2942 | S | 83.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -77.5 | -38.7 | 175.4 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | E2938 I2939 E2940 E2944 R2945 I2946 N3085 | E2938-S2942 PolarHBondContact O-N 3.32Å; E2938-S2942 PolarHBondContact O-OG 3.18Å; I2939-S2942 CarbonylContact O-C 3.35Å; I2939-S2942 VanDerWaalsContact O-CA 3.32Å; I2939-S2942 WeakPolarHBondContact O-CA 3.31Å; I2939-S2942 WeakPolarHBondContact O-CB 3.33Å; I2939-S2942 PolarHBondContact O-N 2.99Å; E2940-S2942 PolarHBondContact O-N 2.99Å; E2940-S2942 VanDerWaalsContact O-N 3.08Å; S2942-E2944 VanDerWaalsContact C-N 3.34Å; S2942-R2945 PolarHBondContact O-N 2.92Å; S2942-R2945 PolarHBondContact OG-NH2 2.97Å; S2942-I2946 PolarHBondContact O-N 3.17Å; S2942-I2946 VanDerWaalsContact O-N 3.11Å; S2942-N3085 PolarHBondContact OG-OD1 3.39Å |
| 2943 | V | 82.1 | Confident | 78.4 | Confident | 19.5 Ų | 19.5 | 52.6 Ų | 52.6 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 170.4 | 176 | 0 | 0 | 0 | 0 | 110.9 | I2939 E2940 I2946 G2947 V3029 L3033 | I2939-V2943 WeakPolarHBondContact O-CG2 3.27Å; I2939-V2943 PolarHBondContact O-N 3.21Å; E2940-V2943 WeakPolarHBondContact O-CA 3.38Å; E2940-V2943 WeakPolarHBondContact O-CB 3.34Å; E2940-V2943 PolarHBondContact O-N 3.34Å; E2940-V2943 VanDerWaalsContact O-N 3.08Å; V2943-I2946 VanDerWaalsContact O-CG2 3.25Å; V2943-I2946 WeakPolarHBondContact O-CG2 3.33Å; V2943-I2946 PolarHBondContact O-N 3.21Å; V2943-G2947 PolarHBondContact O-N 3.02Å; V2943-V3029 HydrophobicContact CG2-CB 4.23Å; V2943-V3029 HydrophobicContact CG2-CG1 3.52Å; V2943-L3033 HydrophobicContact CG2-CD2 4.46Å |
| 2944 | E | 80.8 | Confident | 77.1 | Confident | 131 Ų | 131 | 51.3 Ų | 51.3 | 61% | 0.612 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.6 | -48.4 | 176.2 | -69.9 | 178.7 | 168.1 | 0 | 0 | 111.8 | E2940 S2942 I2946 G2947 L2948 | E2940-E2944 PolarHBondContact O-N 3.03Å; S2942-E2944 VanDerWaalsContact C-N 3.34Å; E2944-I2946 VanDerWaalsContact C-N 3.31Å; E2944-I2946 PolarHBondContact O-N 3.19Å; E2944-G2947 WeakPolarHBondContact O-CA 3.33Å; E2944-G2947 PolarHBondContact O-N 3.1Å; E2944-G2947 VanDerWaalsContact O-N 3.11Å; E2944-L2948 WeakPolarHBondContact O-CG 3.23Å; E2944-L2948 PolarHBondContact O-N 3.17Å |
| 2945 | R | 80.7 | Confident | 75.5 | Confident | 82.5 Ų | 82.5 | 52.9 Ų | 52.9 | 31% | 0.311 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.1 | -44.6 | 176.9 | -84.6 | -179.7 | -80.3 | 155.6 | -5.9 | 112.3 | R2941 S2942 L2948 L2949 N3085 V3088 | R2941-R2945 WeakPolarHBondContact O-CB 3.43Å; R2941-R2945 VanDerWaalsContact O-CG 3.31Å; R2941-R2945 WeakPolarHBondContact O-CG 3.34Å; R2941-R2945 PolarHBondContact O-N 3.12Å; R2941-R2945 VanDerWaalsContact O-N 3.14Å; R2941-R2945 PolarHBondContact O-NE 3.05Å; S2942-R2945 PolarHBondContact O-N 2.92Å; S2942-R2945 PolarHBondContact OG-NH2 2.97Å; R2945-L2948 WeakPolarHBondContact O-CB 3.1Å; R2945-L2948 PolarHBondContact O-N 3.05Å; R2945-L2949 PolarHBondContact O-N 3.4Å; R2945-L2949 VanDerWaalsContact O-N 3.15Å; R2945-N3085 PolarHBondContact NH1-OD1 2.94Å; R2945-N3085 PolarHBondContact NH2-OD1 3.09Å; R2945-V3088 HydrophobicContact CB-CG1 3.94Å |
| 2946 | I | 81 | Confident | 74.1 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.2 | -30.3 | 178.3 | -158.2 | 159.7 | 0 | 0 | 0 | 113.2 | S2942 V2943 E2944 L2948 L2949 H2950 I3022 C3025 R3026 V3088 A3091 | S2942-I2946 PolarHBondContact O-N 3.17Å; S2942-I2946 VanDerWaalsContact O-N 3.11Å; V2943-I2946 VanDerWaalsContact O-CG2 3.25Å; V2943-I2946 WeakPolarHBondContact O-CG2 3.33Å; V2943-I2946 PolarHBondContact O-N 3.21Å; E2944-I2946 VanDerWaalsContact C-N 3.31Å; E2944-I2946 PolarHBondContact O-N 3.19Å; I2946-L2948 VanDerWaalsContact C-N 3.32Å; I2946-L2948 PolarHBondContact O-N 3.19Å; I2946-L2949 HydrophobicContact CG1-CD1 4.39Å; I2946-L2949 PolarHBondContact O-N 3.1Å; I2946-H2950 PolarHBondContact O-N 3.06Å; I2946-H2950 VanDerWaalsContact O-N 3.12Å; I2946-I3022 HydrophobicContact CG1-CG2 4.22Å; I2946-C3025 HydrophobicContact CD1-CB 3.26Å; I2946-R3026 HydrophobicContact CG2-CB 3.96Å; I2946-R3026 HydrophobicContact CG2-CG 4.15Å; I2946-V3088 HydrophobicContact CB-CG1 4.31Å; I2946-V3088 HydrophobicContact CB-CG2 4.31Å; I2946-V3088 HydrophobicContact CD1-CG2 4.41Å; I2946-A3091 HydrophobicContact CD1-CB 4.18Å |
| 2947 | G | 75 | Confident | 72.5 | Confident | 23.5 Ų | 23.5 | 59.7 Ų | 59.7 | 24% | 0.242 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -39.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V2943 E2944 L2949 H2950 S2951 | V2943-G2947 PolarHBondContact O-N 3.02Å; E2944-G2947 WeakPolarHBondContact O-CA 3.33Å; E2944-G2947 PolarHBondContact O-N 3.1Å; E2944-G2947 VanDerWaalsContact O-N 3.11Å; G2947-L2949 VanDerWaalsContact C-N 3.35Å; G2947-L2949 PolarHBondContact O-N 3.31Å; G2947-H2950 PolarHBondContact O-N 3.19Å; G2947-S2951 PolarHBondContact O-N 3.12Å; G2947-S2951 VanDerWaalsContact O-N 3.09Å |
| 2948 | L | 76.6 | Confident | 70.7 | Confident | 102.5 Ų | 102.5 | 62.2 Ų | 62.2 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 174.1 | -67 | 172.8 | 0 | 0 | 0 | 112.4 | E2944 R2945 I2946 S2951 K2952 | E2944-L2948 WeakPolarHBondContact O-CG 3.23Å; E2944-L2948 PolarHBondContact O-N 3.17Å; R2945-L2948 WeakPolarHBondContact O-CB 3.1Å; R2945-L2948 PolarHBondContact O-N 3.05Å; I2946-L2948 VanDerWaalsContact C-N 3.32Å; I2946-L2948 PolarHBondContact O-N 3.19Å; L2948-S2951 PolarHBondContact O-N 2.82Å; L2948-S2951 PolarHBondContact O-OG 3.06Å; L2948-K2952 WeakPolarHBondContact O-CB 3.33Å; L2948-K2952 WeakPolarHBondContact O-CG 3.39Å; L2948-K2952 PolarHBondContact O-N 3.05Å |
| 2949 | L | 69.7 | Low | 68.7 | Low | 17.5 Ų | 17.5 | 63 Ų | 63 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 174.2 | -68.4 | 169.4 | 0 | 0 | 0 | 112 | R2945 I2946 G2947 S2951 K2952 H2953 Q3092 | R2945-L2949 PolarHBondContact O-N 3.4Å; R2945-L2949 VanDerWaalsContact O-N 3.15Å; I2946-L2949 HydrophobicContact CG1-CD1 4.39Å; I2946-L2949 PolarHBondContact O-N 3.1Å; G2947-L2949 VanDerWaalsContact C-N 3.35Å; G2947-L2949 PolarHBondContact O-N 3.31Å; L2949-S2951 VanDerWaalsContact C-N 3.31Å; L2949-S2951 PolarHBondContact O-N 3.2Å; L2949-K2952 PolarHBondContact O-N 3.23Å; L2949-H2953 WeakPolarHBondContact O-CB 3.32Å; L2949-H2953 PolarHBondContact O-N 3.21Å; L2949-Q3092 HydrophobicContact CD1-CB 3.75Å; L2949-Q3092 HydrophobicContact CD1-CG 4.15Å; L2949-Q3092 HydrophobicContact CD2-CB 4.47Å; L2949-Q3092 HydrophobicContact CD2-CG 3.97Å |
| 2950 | H | 68 | Low | 66.7 | Low | 36.5 Ų | 36.5 | 67.9 Ų | 67.9 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 175 | -168 | -87.5 | 0 | 0 | 0 | 111.8 | I2946 G2947 H2953 S2954 I3022 | I2946-H2950 PolarHBondContact O-N 3.06Å; I2946-H2950 VanDerWaalsContact O-N 3.12Å; G2947-H2950 PolarHBondContact O-N 3.19Å; H2950-H2953 PolarHBondContact O-N 3.24Å; H2950-S2954 VanDerWaalsContact O-CB 3.28Å; H2950-S2954 WeakPolarHBondContact O-CB 3.19Å; H2950-S2954 PolarHBondContact O-N 2.84Å; H2950-I3022 HydrophobicContact CB-CG2 3.7Å |
| 2951 | S | 61.3 | Low | 64.6 | Low | 56.5 Ų | 56.5 | 68.3 Ų | 68.3 | 40% | 0.395 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 178.4 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | G2947 L2948 L2949 F2955 | G2947-S2951 PolarHBondContact O-N 3.12Å; G2947-S2951 VanDerWaalsContact O-N 3.09Å; L2948-S2951 PolarHBondContact O-N 2.82Å; L2948-S2951 PolarHBondContact O-OG 3.06Å; L2949-S2951 VanDerWaalsContact C-N 3.31Å; L2949-S2951 PolarHBondContact O-N 3.2Å; S2951-F2955 WeakPolarHBondContact O-CB 3.32Å; S2951-F2955 PolarHBondContact O-N 3.12Å |
| 2952 | K | 61.6 | Low | 62.5 | Low | 146.5 Ų | 146.5 | 69.4 Ų | 69.4 | 64% | 0.637 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 175.7 | -75.5 | 177.5 | 178.4 | -179 | 0 | 112.3 | L2948 L2949 K2956 | L2948-K2952 WeakPolarHBondContact O-CB 3.33Å; L2948-K2952 WeakPolarHBondContact O-CG 3.39Å; L2948-K2952 PolarHBondContact O-N 3.05Å; L2949-K2952 PolarHBondContact O-N 3.23Å; K2952-K2956 WeakPolarHBondContact O-CB 3.37Å; K2952-K2956 PolarHBondContact O-N 3.14Å; K2952-K2956 VanDerWaalsContact O-N 3.14Å |
| 2953 | H | 62.9 | Low | 60.4 | Low | 13.5 Ų | 13.5 | 78.1 Ų | 78.1 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.6 | -53.2 | 176.9 | -175.8 | -107 | 0 | 0 | 0 | 111.2 | L2949 H2950 F2955 K2956 N2957 D3019 I3022 | L2949-H2953 WeakPolarHBondContact O-CB 3.32Å; L2949-H2953 PolarHBondContact O-N 3.21Å; H2950-H2953 PolarHBondContact O-N 3.24Å; H2953-F2955 VanDerWaalsContact C-N 3.35Å; H2953-F2955 PolarHBondContact O-N 3.08Å; H2953-K2956 PolarHBondContact O-N 3.15Å; H2953-K2956 VanDerWaalsContact O-N 3.15Å; H2953-N2957 PolarHBondContact CE1-ND2 3.23Å; H2953-N2957 PolarHBondContact O-N 2.88Å; H2953-N2957 VanDerWaalsContact O-N 3.09Å; H2953-D3019 IonicContact CE1-OD1 3.72Å; H2953-D3019 PolarHBondContact CE1-OD1 3.48Å; H2953-D3019 IonicContact CG-OD1 2.82Å; H2953-D3019 IonicContact ND1-OD1 3.61Å; H2953-D3019 PolarHBondContact ND1-OD1 2.72Å; H2953-I3022 HydrophobicContact CB-CD1 4.08Å |
| 2954 | S | 55.8 | Low | 58.2 | Low | 51 Ų | 51 | 82 Ų | 82 | 36% | 0.357 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | -179.6 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | H2950 S2958 | H2950-S2954 VanDerWaalsContact O-CB 3.28Å; H2950-S2954 WeakPolarHBondContact O-CB 3.19Å; H2950-S2954 PolarHBondContact O-N 2.84Å; S2954-S2958 WeakPolarHBondContact O-CB 3.15Å; S2954-S2958 PolarHBondContact O-N 3.45Å; S2954-S2958 VanDerWaalsContact O-N 3.07Å |
| 2955 | F | 50.4 | Low | 55.8 | Low | 141.5 Ų | 141.5 | 80.2 Ų | 80.2 | 62% | 0.621 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.2 | -41.2 | 176.5 | -174.9 | -101.5 | 0 | 0 | 0 | 112.5 | S2951 H2953 S2958 L2959 | S2951-F2955 WeakPolarHBondContact O-CB 3.32Å; S2951-F2955 PolarHBondContact O-N 3.12Å; H2953-F2955 VanDerWaalsContact C-N 3.35Å; H2953-F2955 PolarHBondContact O-N 3.08Å; F2955-S2958 PolarHBondContact O-N 3.2Å; F2955-L2959 HydrophobicContact CD1-CD1 4Å; F2955-L2959 HydrophobicContact CD2-CD1 4.2Å; F2955-L2959 HydrophobicContact CE1-CD1 3.58Å; F2955-L2959 VanDerWaalsContact CE1-CD1 3.5Å; F2955-L2959 HydrophobicContact CE1-CD2 4.14Å; F2955-L2959 HydrophobicContact CE2-CD1 3.81Å; F2955-L2959 HydrophobicContact CG-CD1 4.3Å; F2955-L2959 HydrophobicContact CZ-CD1 3.48Å; F2955-L2959 VanDerWaalsContact CZ-CD1 3.42Å; F2955-L2959 HydrophobicContact CZ-CD2 4.46Å; F2955-L2959 WeakPolarHBondContact O-CD1 3.37Å; F2955-L2959 PolarHBondContact O-N 2.99Å |
| 2956 | K | 55.1 | Low | 53.5 | Low | 93.5 Ų | 93.5 | 85.2 Ų | 85.2 | 41% | 0.407 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 179.7 | -159.7 | 179.6 | -178.8 | -171.9 | 0 | 112 | K2952 H2953 L2959 N2960 V3099 | K2952-K2956 WeakPolarHBondContact O-CB 3.37Å; K2952-K2956 PolarHBondContact O-N 3.14Å; K2952-K2956 VanDerWaalsContact O-N 3.14Å; H2953-K2956 PolarHBondContact O-N 3.15Å; H2953-K2956 VanDerWaalsContact O-N 3.15Å; K2956-L2959 PolarHBondContact O-N 3.2Å; K2956-N2960 PolarHBondContact O-N 2.95Å; K2956-N2960 VanDerWaalsContact O-N 3.08Å; K2956-V3099 HydrophobicContact CD-CG1 3.71Å; K2956-V3099 PolarHBondContact NZ-O 3.48Å |
| 2957 | N | 51.7 | Low | 51.2 | Low | 58 Ų | 58 | 90.5 Ų | 90.5 | 31% | 0.31 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -37.9 | 173.9 | -79.8 | 6 | 0 | 0 | 0 | 112.1 | H2953 N2960 S2961 D3016 | H2953-N2957 PolarHBondContact CE1-ND2 3.23Å; H2953-N2957 PolarHBondContact O-N 2.88Å; H2953-N2957 VanDerWaalsContact O-N 3.09Å; N2957-N2960 PolarHBondContact O-N 3.26Å; N2957-S2961 WeakPolarHBondContact O-CB 3.46Å; N2957-S2961 PolarHBondContact O-N 3.44Å; N2957-D3016 PolarHBondContact ND2-OD2 3.4Å |
| 2958 | S | 45.8 | Very low | 49.1 | Very low | 64 Ų | 64 | 98.1 Ų | 98.1 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 174.6 | -169 | 0 | 0 | 0 | 0 | 112.6 | S2954 F2955 N2960 S2961 Q2962 | S2954-S2958 WeakPolarHBondContact O-CB 3.15Å; S2954-S2958 PolarHBondContact O-N 3.45Å; S2954-S2958 VanDerWaalsContact O-N 3.07Å; F2955-S2958 PolarHBondContact O-N 3.2Å; S2958-N2960 PolarHBondContact O-N 3.02Å; S2958-S2961 PolarHBondContact O-N 2.9Å; S2958-Q2962 PolarHBondContact O-N 3Å; S2958-Q2962 VanDerWaalsContact O-N 3.17Å |
| 2959 | L | 45 | Very low | 47 | Very low | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.435 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.9 | -37 | 174.9 | -100.5 | 80.6 | 0 | 0 | 0 | 113.2 | F2955 K2956 K2963 | F2955-L2959 HydrophobicContact CD1-CD1 4Å; F2955-L2959 HydrophobicContact CD2-CD1 4.2Å; F2955-L2959 HydrophobicContact CE1-CD1 3.58Å; F2955-L2959 VanDerWaalsContact CE1-CD1 3.5Å; F2955-L2959 HydrophobicContact CE1-CD2 4.14Å; F2955-L2959 HydrophobicContact CE2-CD1 3.81Å; F2955-L2959 HydrophobicContact CG-CD1 4.3Å; F2955-L2959 HydrophobicContact CZ-CD1 3.48Å; F2955-L2959 VanDerWaalsContact CZ-CD1 3.42Å; F2955-L2959 HydrophobicContact CZ-CD2 4.46Å; F2955-L2959 WeakPolarHBondContact O-CD1 3.37Å; F2955-L2959 PolarHBondContact O-N 2.99Å; K2956-L2959 PolarHBondContact O-N 3.2Å; L2959-K2963 PolarHBondContact O-N 2.94Å |
| 2960 | N | 43 | Very low | 45.3 | Very low | 101.5 Ų | 101.5 | 106.7 Ų | 106.7 | 54% | 0.543 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73 | -34.4 | 178.9 | -80.7 | -6.7 | 0 | 0 | 0 | 112.4 | K2956 N2957 S2958 K2963 | K2956-N2960 PolarHBondContact O-N 2.95Å; K2956-N2960 VanDerWaalsContact O-N 3.08Å; N2957-N2960 PolarHBondContact O-N 3.26Å; S2958-N2960 PolarHBondContact O-N 3.02Å; N2960-K2963 PolarHBondContact O-N 3.42Å |
| 2961 | S | 41.7 | Very low | 43.8 | Very low | 80 Ų | 80 | 112.6 Ų | 112.6 | 56% | 0.559 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68 | -38.7 | 175.4 | 138.6 | 0 | 0 | 0 | 0 | 112.3 | N2957 S2958 K2963 S2964 | N2957-S2961 WeakPolarHBondContact O-CB 3.46Å; N2957-S2961 PolarHBondContact O-N 3.44Å; S2958-S2961 PolarHBondContact O-N 2.9Å; S2961-K2963 PolarHBondContact O-N 3.18Å; S2961-S2964 PolarHBondContact O-N 3.35Å; S2961-S2964 PolarHBondContact O-OG 3.03Å; S2961-S2964 VanDerWaalsContact O-OG 3.1Å |
| 2962 | Q | 41 | Very low | 42.7 | Very low | 154.5 Ų | 154.5 | 115.5 Ų | 115.5 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71 | -17.8 | 176.9 | -79.7 | -169.4 | -33.9 | 0 | 0 | 114.7 | S2958 | S2958-Q2962 PolarHBondContact O-N 3Å; S2958-Q2962 VanDerWaalsContact O-N 3.17Å |
| 2963 | K | 38.8 | Very low | 41.5 | Very low | 183.5 Ų | 183.5 | 117.3 Ų | 117.3 | 80% | 0.798 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -9.2 | -178.7 | -110.4 | 178.8 | 178.9 | 179.1 | 0 | 115.1 | L2959 N2960 S2961 | L2959-K2963 PolarHBondContact O-N 2.94Å; N2960-K2963 PolarHBondContact O-N 3.42Å; S2961-K2963 PolarHBondContact O-N 3.18Å |
| 2964 | S | 35.3 | Very low | 40.3 | Very low | 101.5 Ų | 101.5 | 122.8 Ų | 122.8 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -100.9 | -4 | -174 | 63.5 | 0 | 0 | 0 | 0 | 115.3 | S2961 H2966 | S2961-S2964 PolarHBondContact O-N 3.35Å; S2961-S2964 PolarHBondContact O-OG 3.03Å; S2961-S2964 VanDerWaalsContact O-OG 3.1Å; S2964-H2966 PolarHBondContact O-N 2.92Å |
| 2965 | S | 32.3 | Very low | 39.4 | Very low | 91.5 Ų | 91.5 | 126.2 Ų | 126.2 | 64% | 0.64 | 67% | 0.672 | S | S | * | * | trans | -107.9 | 45.5 | -175.4 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2966 | H | 31.7 | Very low | 38.7 | Very low | 188 Ų | 188 | 127.1 Ų | 127.1 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | trans | -130.3 | 68 | 173.8 | -124 | 47.7 | 0 | 0 | 0 | 114 | S2964 | S2964-H2966 PolarHBondContact O-N 2.92Š| ||
| 2967 | S | 32 | Very low | 37.8 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -157.8 | 137.7 | 147.6 | 66.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 2968 | Q | 31.4 | Very low | 37 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | trans | 72.1 | 89.3 | -176.5 | -59.7 | -174.4 | -9.7 | 0 | 0 | 117 | ||||
| 2969 | L | 33 | Very low | 36.4 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 91% | 0.906 | 72% | 0.724 | S | S | * | * | -167 | 147.9 | 91.8 | -138.3 | 77.2 | 0 | 0 | 0 | 110.9 | |||||
| 2970 | D | 34.2 | Very low | 36 | Very low | 127.5 Ų | 127.5 | 133.7 Ų | 133.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -90 | 150 | -168.1 | -138.2 | -6.2 | 0 | 0 | 0 | 114.7 | ||||
| 2971 | Q | 35.5 | Very low | 35.4 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 54.1 | 108.1 | 151.5 | -68.6 | 166.7 | 57.6 | 0 | 0 | 121 | ||||
| 2972 | S | 38.2 | Very low | 34.7 | Very low | 117.5 Ų | 117.5 | 140.2 Ų | 140.2 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | 172.8 | 90.3 | 127.2 | -13.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 2973 | K | 36.7 | Very low | 34.2 | Very low | 184.5 Ų | 184.5 | 138.5 Ų | 138.5 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | 79.9 | 126.9 | 93.8 | -107.9 | -169.7 | 175.7 | -178.3 | 0 | 115.5 | |||||
| 2974 | D | 37 | Very low | 33.7 | Very low | 129.5 Ų | 129.5 | 135.2 Ų | 135.2 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | trans | 83.8 | 116.7 | 149.1 | -55.7 | -19.6 | 0 | 0 | 0 | 118 | ||||
| 2975 | T | 38 | Very low | 33.4 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 133.3 | 133.5 | 78.8 | -63.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 2976 | M | 35 | Very low | 33.4 | Very low | 160.5 Ų | 160.5 | 138 Ų | 138 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | 114 | 152.5 | 69 | -97.6 | 176.7 | 126.9 | 0 | 0 | 115.5 | |||||
| 2977 | T | 37 | Very low | 33.4 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 64% | 0.644 | 76% | 0.761 | S | S | * | * | 98.9 | 142.6 | 74.1 | 38.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2978 | S | 35.2 | Very low | 33.2 | Very low | 100.5 Ų | 100.5 | 132.5 Ų | 132.5 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | 131.5 | 136.6 | 75.5 | -81.9 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 2979 | T | 32.3 | Very low | 33.1 | Very low | 122.5 Ų | 122.5 | 129.6 Ų | 129.6 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 33 | 125.2 | 138.8 | 52.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2980 | S | 35.7 | Very low | 33.1 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | 135.5 | 140.7 | 109.5 | -73.4 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 2981 | K | 31.5 | Very low | 32.9 | Very low | 199.5 Ų | 199.5 | 129.3 Ų | 129.3 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | 3.5 | 131.2 | 149.9 | -66.6 | 171.9 | 179.1 | 177.6 | 0 | 115.3 | ||||
| 2982 | C | 27.9 | Very low | 32.8 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 134.6 | 139.2 | 119.8 | -132.9 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 2983 | T | 29 | Very low | 32.5 | Very low | 118.5 Ų | 118.5 | 131.7 Ų | 131.7 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -8.6 | 149.8 | 158.8 | 12.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 2984 | T | 29.3 | Very low | 32.2 | Very low | 114.5 Ų | 114.5 | 129.9 Ų | 129.9 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 86 | 115.6 | 145.6 | -2.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2985 | T | 28.6 | Very low | 32.1 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 70.2 | 133.3 | 130 | 36.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 2986 | V | 32.4 | Very low | 31.8 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | 116 | 130.2 | 130.7 | -154.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2987 | A | 31 | Very low | 31.7 | Very low | 79.5 Ų | 79.5 | 130.6 Ų | 130.6 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | 63.9 | 119.8 | 137.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 2988 | S | 29.4 | Very low | 31.4 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | 75.6 | 113.7 | 122.8 | -6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 2989 | T | 28.2 | Very low | 31.3 | Very low | 124.5 Ų | 124.5 | 133.7 Ų | 133.7 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | 64.8 | 114.4 | 126.6 | -43.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 2990 | T | 32.4 | Very low | 31 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | -176 | 141.3 | 116.1 | 20.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2991 | N | 30 | Very low | 30.6 | Very low | 153.5 Ų | 153.5 | 136.4 Ų | 136.4 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 149.8 | 169.2 | -82.1 | -31.3 | 0 | 0 | 0 | 112.8 | ||||
| 2992 | N | 34.4 | Very low | 30.4 | Very low | 160.5 Ų | 160.5 | 133.1 Ų | 133.1 | 86% | 0.858 | 79% | 0.787 | S | S | * | * | trans | -154.7 | 125.3 | 136.6 | -101.8 | -25 | 0 | 0 | 0 | 112.5 | ||||
| 2993 | Q | 31.8 | Very low | 30.3 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -23.6 | 141.6 | 158 | -68.2 | 173.6 | -30 | 0 | 0 | 117.5 | ||||
| 2994 | I | 31.1 | Very low | 30.2 | Very low | 146 Ų | 146 | 138 Ų | 138 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | 137.4 | 119.4 | 128 | -77.9 | 155.2 | 0 | 0 | 0 | 115.2 | |||||
| 2995 | S | 33.5 | Very low | 30.1 | Very low | 116.5 Ų | 116.5 | 139.9 Ų | 139.9 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | trans | 123.1 | 118.4 | 134.2 | -66 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2996 | N | 31.5 | Very low | 30.1 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 154.9 | 165 | -64.1 | -21.9 | 0 | 0 | 0 | 111.7 | ||||
| 2997 | N | 34.2 | Very low | 30.1 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -149.2 | 128.4 | 139.3 | -101 | -25.1 | 0 | 0 | 0 | 109.9 | ||||
| 2998 | D | 31.1 | Very low | 30.2 | Very low | 144.5 Ų | 144.5 | 145 Ų | 145 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -73.2 | 141.7 | -175.5 | -65.4 | -62.3 | 0 | 0 | 0 | 113.2 | ||||
| 2999 | S | 32.7 | Very low | 30.8 | Very low | 126.5 Ų | 126.5 | 147 Ų | 147 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -157.9 | 83.7 | 149.6 | -78.4 | 0 | 0 | 0 | 0 | 109.7 | T3001 | S2999-T3001 PolarHBondContact O-N 2.77Š| ||
| 3000 | L | 26.3 | Very low | 31.4 | Very low | 165.5 Ų | 165.5 | 146.4 Ų | 146.4 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -61.7 | 121.5 | 168 | -177.6 | 78 | 0 | 0 | 0 | 110.1 | ||||
| 3001 | T | 26.8 | Very low | 31.7 | Very low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | 172.2 | 142.5 | 139.2 | 28.9 | 0 | 0 | 0 | 0 | 112.4 | S2999 | S2999-T3001 PolarHBondContact O-N 2.77Š| ||
| 3002 | T | 26.4 | Very low | 32.4 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | 69.4 | 78.5 | 160.9 | -30.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 3003 | M | 26.2 | Very low | 32.7 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | trans | -126.2 | 83.4 | 161.1 | -82.8 | -78.7 | -162.4 | 0 | 0 | 109.7 | ||||
| 3004 | N | 26.1 | Very low | 33.2 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -146.6 | 85.4 | 173.6 | -99.7 | -17 | 0 | 0 | 0 | 108.6 | ||||
| 3005 | N | 28.6 | Very low | 34 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 177.7 | 81.9 | 160 | -92.5 | -36.2 | 0 | 0 | 0 | 109.7 | N3007 | N3005-N3007 PolarHBondContact O-N 3Š| ||
| 3006 | A | 28 | Very low | 35.4 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -86 | 87.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3007 | N | 32 | Very low | 37.3 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -158.9 | 46.8 | 175.8 | -100.6 | -28.2 | 0 | 0 | 0 | 110.2 | N3005 | N3005-N3007 PolarHBondContact O-N 3Š| ||
| 3008 | E | 34.2 | Very low | 39.4 | Very low | 188 Ų | 188 | 122 Ų | 122 | 88% | 0.879 | 69% | 0.69 | S | S | * | * | trans | -87.6 | 112.3 | 169.2 | -69.5 | -169.1 | 155.5 | 0 | 0 | 109.2 | I3010 | E3008-I3010 PolarHBondContact O-N 3.13Š| ||
| 3009 | D | 40.4 | Very low | 41.6 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | trans | -57.1 | 117.6 | 169.6 | -76.5 | -61.6 | 0 | 0 | 0 | 109.1 | D3011 | D3009-D3011 PolarHBondContact O-N 3.39Å; D3009-D3011 VanDerWaalsContact O-N 3.14Å | ||
| 3010 | I | 42.7 | Very low | 43.8 | Very low | 112 Ų | 112 | 111.1 Ų | 111.1 | 57% | 0.574 | 62% | 0.624 | S | S | * | * | trans | -61.7 | 119.3 | 173.5 | -69.9 | 167.9 | 0 | 0 | 0 | 107.9 | E3008 L3012 | E3008-I3010 PolarHBondContact O-N 3.13Å; I3010-L3012 PolarHBondContact O-N 2.81Å | ||
| 3011 | D | 36.7 | Very low | 46.7 | Very low | 132 Ų | 132 | 103.2 Ų | 103.2 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | trans | -64.2 | 92 | -172.3 | -151.5 | -0.6 | 0 | 0 | 0 | 111.2 | D3009 E3013 | D3009-D3011 PolarHBondContact O-N 3.39Å; D3009-D3011 VanDerWaalsContact O-N 3.14Å; D3011-E3013 PolarHBondContact O-N 2.84Å | ||
| 3012 | L | 45.8 | Very low | 49.4 | Very low | 65 Ų | 65 | 97.5 Ų | 97.5 | 34% | 0.34 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 8.9 | -163 | -103.6 | 142.6 | 0 | 0 | 0 | 114.2 | I3010 A3020 I3167 | I3010-L3012 PolarHBondContact O-N 2.81Å; L3012-A3020 HydrophobicContact CD2-CB 4.16Å; L3012-I3167 HydrophobicContact CD2-CD1 4.47Å; L3012-I3167 HydrophobicContact CD2-CG1 4.2Å |
| 3013 | E | 39.8 | Very low | 52.1 | Low | 160 Ų | 160 | 94 Ų | 94 | 75% | 0.748 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -15.7 | -177.7 | -60.1 | -136.4 | 119.7 | 0 | 0 | 114.4 | D3011 | D3011-E3013 PolarHBondContact O-N 2.84Š|
| 3014 | S | 43.3 | Very low | 55 | Low | 114 Ų | 114 | 85.1 Ų | 85.1 | 80% | 0.797 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -103.2 | -9.6 | -170.7 | 64.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 3015 | S | 47.8 | Very low | 58 | Low | 60 Ų | 60 | 78 Ų | 78 | 42% | 0.42 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -107.4 | 141.1 | -178.9 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | G3017 | S3015-G3017 PolarHBondContact O-N 2.79Š|
| 3016 | D | 62.9 | Low | 60.8 | Low | 93 Ų | 93 | 73.3 Ų | 73.3 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | trans | -50.2 | 125 | 172 | -88.1 | -19.7 | 0 | 0 | 0 | 108.8 | N2957 M3018 D3019 A3020 | N2957-D3016 PolarHBondContact ND2-OD2 3.4Å; D3016-M3018 PolarHBondContact O-N 3.16Å; D3016-D3019 PolarHBondContact O-N 3.46Å; D3016-A3020 PolarHBondContact O-N 3.38Å | ||
| 3017 | G | 71.8 | Confident | 63.6 | Low | 35 Ų | 35 | 69.6 Ų | 69.6 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -55.7 | -25.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S3015 L3021 I3171 | S3015-G3017 PolarHBondContact O-N 2.79Å; G3017-L3021 PolarHBondContact O-N 3.43Å; G3017-I3171 VanDerWaalsContact O-CD1 3.23Å; G3017-I3171 WeakPolarHBondContact O-CD1 3.44Å |
| 3018 | M | 77 | Confident | 66.4 | Low | 23 Ų | 23 | 62.4 Ų | 62.4 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 172 | -85.2 | -60.9 | -166.7 | 0 | 0 | 114.6 | D3016 A3020 L3021 I3022 F3094 V3095 H3098 | D3016-M3018 PolarHBondContact O-N 3.16Å; M3018-A3020 VanDerWaalsContact C-N 3.3Å; M3018-A3020 PolarHBondContact O-N 3.27Å; M3018-L3021 WeakPolarHBondContact O-CB 3.46Å; M3018-L3021 PolarHBondContact O-N 3.44Å; M3018-L3021 HydrophobicContact SD-CD1 4.39Å; M3018-I3022 VanDerWaalsContact O-CG1 3.26Å; M3018-I3022 WeakPolarHBondContact O-CG1 3.41Å; M3018-I3022 PolarHBondContact O-N 3.11Å; M3018-F3094 HydrophobicContact CE-CD1 3.62Å; M3018-F3094 HydrophobicContact CE-CE1 3.52Å; M3018-F3094 HydrophobicContact SD-CD1 4.07Å; M3018-F3094 HydrophobicContact SD-CE1 4.01Å; M3018-V3095 HydrophobicContact SD-CG2 4.01Å; M3018-H3098 HydrophobicContact CE-CB 3.19Å; M3018-H3098 VanDerWaalsContact CE-CD2 3.43Å; M3018-H3098 WeakPolarHBondContact CE-CD2 3.46Å |
| 3019 | D | 78 | Confident | 69.1 | Low | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 176.5 | -75.1 | -17.5 | 0 | 0 | 0 | 109.8 | H2953 D3016 L3021 I3022 I3023 | H2953-D3019 IonicContact CE1-OD1 3.72Å; H2953-D3019 PolarHBondContact CE1-OD1 3.48Å; H2953-D3019 IonicContact CG-OD1 2.82Å; H2953-D3019 IonicContact ND1-OD1 3.61Å; H2953-D3019 PolarHBondContact ND1-OD1 2.72Å; D3016-D3019 PolarHBondContact O-N 3.46Å; D3019-L3021 VanDerWaalsContact C-N 3.32Å; D3019-L3021 PolarHBondContact O-N 3.47Å; D3019-I3022 PolarHBondContact O-N 2.92Å; D3019-I3023 WeakPolarHBondContact O-CB 3.2Å; D3019-I3023 WeakPolarHBondContact O-CD1 3.28Å; D3019-I3023 WeakPolarHBondContact O-CG1 3.42Å; D3019-I3023 PolarHBondContact O-N 2.97Å |
| 3020 | A | 80 | Confident | 71.3 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | L3012 D3016 M3018 A3024 I3167 | L3012-A3020 HydrophobicContact CD2-CB 4.16Å; D3016-A3020 PolarHBondContact O-N 3.38Å; M3018-A3020 VanDerWaalsContact C-N 3.3Å; M3018-A3020 PolarHBondContact O-N 3.27Å; A3020-A3024 VanDerWaalsContact O-CB 3.3Å; A3020-A3024 WeakPolarHBondContact O-CB 3.46Å; A3020-A3024 PolarHBondContact O-N 2.7Å; A3020-I3167 HydrophobicContact CB-CG2 4.42Å |
| 3021 | L | 85.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -48.7 | 174.3 | 179.4 | 156.1 | 0 | 0 | 0 | 111.9 | G3017 M3018 D3019 I3023 A3024 C3025 F3094 V3095 L3118 L3164 I3167 V3168 I3171 | G3017-L3021 PolarHBondContact O-N 3.43Å; M3018-L3021 WeakPolarHBondContact O-CB 3.46Å; M3018-L3021 PolarHBondContact O-N 3.44Å; M3018-L3021 HydrophobicContact SD-CD1 4.39Å; D3019-L3021 VanDerWaalsContact C-N 3.32Å; D3019-L3021 PolarHBondContact O-N 3.47Å; L3021-I3023 VanDerWaalsContact C-N 3.31Å; L3021-I3023 PolarHBondContact O-N 3.25Å; L3021-A3024 PolarHBondContact O-N 3.07Å; L3021-A3024 VanDerWaalsContact O-N 3.14Å; L3021-C3025 PolarHBondContact O-N 2.94Å; L3021-C3025 PolarHBondContact O-SG 3.12Å; L3021-C3025 VanDerWaalsContact O-SG 3.4Å; L3021-F3094 HydrophobicContact CD1-CD1 3.5Å; L3021-F3094 VanDerWaalsContact CD1-CD1 3.5Å; L3021-F3094 HydrophobicContact CD1-CE1 3.34Å; L3021-F3094 HydrophobicContact CD1-CZ 4.26Å; L3021-F3094 HydrophobicContact CD2-CD1 4.42Å; L3021-V3095 HydrophobicContact CD2-CG2 4.36Å; L3021-L3118 HydrophobicContact CD1-CD2 3.81Å; L3021-L3118 HydrophobicContact CD2-CD2 3.99Å; L3021-L3118 HydrophobicContact CG-CD2 4.06Å; L3021-L3164 HydrophobicContact CG-CD1 4.28Å; L3021-I3167 HydrophobicContact CB-CG2 4.17Å; L3021-V3168 HydrophobicContact CD1-CG2 3.87Å; L3021-V3168 HydrophobicContact CG-CG2 4.37Å; L3021-I3171 HydrophobicContact CB-CD1 3.8Å; L3021-I3171 HydrophobicContact CD1-CD1 3.68Å; L3021-I3171 HydrophobicContact CG-CD1 4.38Å |
| 3022 | I | 84.6 | Confident | 76.1 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | -178.8 | -63.7 | 163.6 | 0 | 0 | 0 | 110.3 | I2946 H2950 H2953 M3018 D3019 R3026 V3095 | I2946-I3022 HydrophobicContact CG1-CG2 4.22Å; H2950-I3022 HydrophobicContact CB-CG2 3.7Å; H2953-I3022 HydrophobicContact CB-CD1 4.08Å; M3018-I3022 VanDerWaalsContact O-CG1 3.26Å; M3018-I3022 WeakPolarHBondContact O-CG1 3.41Å; M3018-I3022 PolarHBondContact O-N 3.11Å; D3019-I3022 PolarHBondContact O-N 2.92Å; I3022-R3026 WeakPolarHBondContact O-CB 3.46Å; I3022-R3026 PolarHBondContact O-N 3.11Å; I3022-V3095 HydrophobicContact CD1-CG1 4.38Å; I3022-V3095 HydrophobicContact CD1-CG2 3.93Å; I3022-V3095 HydrophobicContact CG1-CG2 3.8Å |
| 3023 | I | 83.7 | Confident | 78.2 | Confident | 56 Ų | 56 | 33.4 Ų | 33.4 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 173.2 | -68.7 | 164.8 | 0 | 0 | 0 | 111 | D3019 L3021 R3026 N3027 | D3019-I3023 WeakPolarHBondContact O-CB 3.2Å; D3019-I3023 WeakPolarHBondContact O-CD1 3.28Å; D3019-I3023 WeakPolarHBondContact O-CG1 3.42Å; D3019-I3023 PolarHBondContact O-N 2.97Å; L3021-I3023 VanDerWaalsContact C-N 3.31Å; L3021-I3023 PolarHBondContact O-N 3.25Å; I3023-R3026 PolarHBondContact O-N 3.34Å; I3023-N3027 WeakPolarHBondContact O-CB 3.49Å; I3023-N3027 PolarHBondContact O-N 3.32Å; I3023-N3027 PolarHBondContact O-ND2 2.81Å |
| 3024 | A | 85.9 | Confident | 80.4 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A3020 L3021 N3027 L3028 L3164 I3167 | A3020-A3024 VanDerWaalsContact O-CB 3.3Å; A3020-A3024 WeakPolarHBondContact O-CB 3.46Å; A3020-A3024 PolarHBondContact O-N 2.7Å; L3021-A3024 PolarHBondContact O-N 3.07Å; L3021-A3024 VanDerWaalsContact O-N 3.14Å; A3024-N3027 PolarHBondContact O-N 3.46Å; A3024-L3028 PolarHBondContact O-N 3.12Å; A3024-L3164 HydrophobicContact CB-CB 4.22Å; A3024-L3164 HydrophobicContact CB-CD1 3.92Å; A3024-I3167 HydrophobicContact CB-CD1 3.65Å |
| 3025 | C | 88.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 172.6 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | I2946 L3021 N3027 L3028 V3029 A3091 L3164 | I2946-C3025 HydrophobicContact CD1-CB 3.26Å; L3021-C3025 PolarHBondContact O-N 2.94Å; L3021-C3025 PolarHBondContact O-SG 3.12Å; L3021-C3025 VanDerWaalsContact O-SG 3.4Å; C3025-N3027 PolarHBondContact O-N 3.36Å; C3025-L3028 WeakPolarHBondContact O-CB 3.48Å; C3025-L3028 PolarHBondContact O-N 3.42Å; C3025-V3029 WeakPolarHBondContact O-CG2 3.49Å; C3025-V3029 PolarHBondContact O-N 3.23Å; C3025-A3091 HydrophobicContact CB-CB 4.41Å; C3025-L3164 HydrophobicContact CB-CD2 4.46Å; C3025-L3164 WeakPolarHBondContact SG-CD1 3.46Å; C3025-L3164 WeakPolarHBondContact SG-CD2 3.41Å |
| 3026 | R | 87.6 | Confident | 84.7 | Confident | 56 Ų | 56 | 17.7 Ų | 17.7 | 21% | 0.211 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 177 | 179.9 | 174.9 | 168.6 | -174 | -7.9 | 111.6 | Y2894 I2946 I3022 I3023 L3028 V3029 H3030 | Y2894-R3026 VanDerWaalsContact CE1-NH1 3.3Å; Y2894-R3026 PolarHBondContact OH-NH1 3.11Å; I2946-R3026 HydrophobicContact CG2-CB 3.96Å; I2946-R3026 HydrophobicContact CG2-CG 4.15Å; I3022-R3026 WeakPolarHBondContact O-CB 3.46Å; I3022-R3026 PolarHBondContact O-N 3.11Å; I3023-R3026 PolarHBondContact O-N 3.34Å; R3026-L3028 VanDerWaalsContact C-N 3.28Å; R3026-L3028 PolarHBondContact O-N 3.18Å; R3026-V3029 PolarHBondContact O-N 2.96Å; R3026-H3030 VanDerWaalsContact O-CB 3.28Å; R3026-H3030 WeakPolarHBondContact O-CB 3.38Å; R3026-H3030 PolarHBondContact O-N 3.41Å |
| 3027 | N | 87.5 | Confident | 85.8 | Confident | 24 Ų | 24 | 14.5 Ų | 14.5 | 13% | 0.128 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.5 | -38.3 | 175.9 | -78.3 | -23.9 | 0 | 0 | 0 | 112 | S2896 I3023 A3024 C3025 A3031 | S2896-N3027 PolarHBondContact OG-ND2 3.02Å; S2896-N3027 PolarHBondContact OG-OD1 3.04Å; I3023-N3027 WeakPolarHBondContact O-CB 3.49Å; I3023-N3027 PolarHBondContact O-N 3.32Å; I3023-N3027 PolarHBondContact O-ND2 2.81Å; A3024-N3027 PolarHBondContact O-N 3.46Å; C3025-N3027 PolarHBondContact O-N 3.36Å; N3027-A3031 WeakPolarHBondContact O-CB 3.27Å; N3027-A3031 PolarHBondContact O-N 2.9Å |
| 3028 | L | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.9 | -48.7 | 175.8 | 177.6 | 54.1 | 0 | 0 | 0 | 112.1 | A3024 C3025 R3026 H3030 A3031 T3032 L3087 A3122 V3157 A3160 A3161 L3164 | A3024-L3028 PolarHBondContact O-N 3.12Å; C3025-L3028 WeakPolarHBondContact O-CB 3.48Å; C3025-L3028 PolarHBondContact O-N 3.42Å; R3026-L3028 VanDerWaalsContact C-N 3.28Å; R3026-L3028 PolarHBondContact O-N 3.18Å; L3028-H3030 VanDerWaalsContact C-N 3.31Å; L3028-H3030 PolarHBondContact O-N 3.23Å; L3028-A3031 PolarHBondContact O-N 3.16Å; L3028-T3032 PolarHBondContact O-N 2.84Å; L3028-L3087 HydrophobicContact CB-CD2 4.09Å; L3028-L3087 HydrophobicContact CD2-CD1 4Å; L3028-L3087 HydrophobicContact CD2-CD2 3.44Å; L3028-L3087 VanDerWaalsContact CD2-CD2 3.44Å; L3028-L3087 HydrophobicContact CD2-CG 4.39Å; L3028-L3087 HydrophobicContact CG-CD2 3.58Å; L3028-A3122 HydrophobicContact CD2-CB 3.92Å; L3028-V3157 HydrophobicContact CD1-CG1 3.77Å; L3028-V3157 WeakPolarHBondContact CD1-O 3.42Å; L3028-A3160 HydrophobicContact CB-CB 4Å; L3028-A3160 HydrophobicContact CD1-CB 4.02Å; L3028-A3161 HydrophobicContact CD1-CB 4.05Å; L3028-A3161 HydrophobicContact CD2-CB 4.04Å; L3028-L3164 HydrophobicContact CD2-CD2 3.94Å |
| 3029 | V | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | I2939 V2943 C3025 R3026 A3031 T3032 L3033 L3087 V3088 | I2939-V3029 HydrophobicContact CG2-CG1 3.83Å; V2943-V3029 HydrophobicContact CG2-CB 4.23Å; V2943-V3029 HydrophobicContact CG2-CG1 3.52Å; C3025-V3029 WeakPolarHBondContact O-CG2 3.49Å; C3025-V3029 PolarHBondContact O-N 3.23Å; R3026-V3029 PolarHBondContact O-N 2.96Å; V3029-A3031 PolarHBondContact O-N 2.88Å; V3029-T3032 WeakPolarHBondContact CA-OG1 3.34Å; V3029-T3032 PolarHBondContact O-N 3.06Å; V3029-T3032 VanDerWaalsContact O-N 3.15Å; V3029-T3032 PolarHBondContact O-OG1 3.48Å; V3029-L3033 PolarHBondContact O-N 3.33Å; V3029-L3087 HydrophobicContact CG2-CD2 3.75Å; V3029-V3088 HydrophobicContact CG2-CG2 3.71Å |
| 3030 | H | 87.8 | Confident | 87.4 | Confident | 19 Ų | 19 | 11 Ų | 11 | 9% | 0.088 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66 | -37.2 | 178.6 | -151.1 | -99.7 | 0 | 0 | 0 | 112.4 | I2900 R3026 L3028 L3033 S3034 | I2900-H3030 WeakPolarHBondContact CB-ND1 3.39Å; I2900-H3030 HydrophobicContact CD1-CB 4.25Å; I2900-H3030 WeakPolarHBondContact CG2-ND1 3.45Å; I2900-H3030 WeakPolarHBondContact CG2-O 3.5Å; R3026-H3030 VanDerWaalsContact O-CB 3.28Å; R3026-H3030 WeakPolarHBondContact O-CB 3.38Å; R3026-H3030 PolarHBondContact O-N 3.41Å; L3028-H3030 VanDerWaalsContact C-N 3.31Å; L3028-H3030 PolarHBondContact O-N 3.23Å; H3030-L3033 WeakPolarHBondContact O-CB 3.38Å; H3030-L3033 PolarHBondContact O-N 2.94Å; H3030-S3034 PolarHBondContact O-N 2.99Å |
| 3031 | A | 89.1 | Confident | 87.6 | Confident | 3 Ų | 3 | 10.5 Ų | 10.5 | 3% | 0.025 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N3027 L3028 V3029 L3033 S3034 L3035 V3157 | N3027-A3031 WeakPolarHBondContact O-CB 3.27Å; N3027-A3031 PolarHBondContact O-N 2.9Å; L3028-A3031 PolarHBondContact O-N 3.16Å; V3029-A3031 PolarHBondContact O-N 2.88Å; A3031-L3033 VanDerWaalsContact C-N 3.31Å; A3031-L3033 PolarHBondContact O-N 2.77Å; A3031-S3034 PolarHBondContact O-N 3.36Å; A3031-L3035 PolarHBondContact O-N 2.97Å; A3031-V3157 HydrophobicContact CB-CB 4.39Å; A3031-V3157 HydrophobicContact CB-CG2 3.6Å; A3031-V3157 WeakPolarHBondContact O-CG2 3.34Å |
| 3032 | T | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.1 | -29.9 | 174.1 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | L3028 V3029 L3035 M3036 V3080 T3125 V3157 | L3028-T3032 PolarHBondContact O-N 2.84Å; V3029-T3032 WeakPolarHBondContact CA-OG1 3.34Å; V3029-T3032 PolarHBondContact O-N 3.06Å; V3029-T3032 VanDerWaalsContact O-N 3.15Å; V3029-T3032 PolarHBondContact O-OG1 3.48Å; T3032-L3035 WeakPolarHBondContact O-CB 3.46Å; T3032-M3036 PolarHBondContact O-N 3.21Å; T3032-M3036 VanDerWaalsContact O-N 3.12Å; T3032-V3080 HydrophobicContact CG2-CG1 4.26Å; T3032-T3125 HydrophobicContact CG2-CG2 3.59Å; T3032-V3157 HydrophobicContact CG2-CG1 3.87Å; T3032-V3157 HydrophobicContact CG2-CG2 3.82Å |
| 3033 | L | 89.5 | Confident | 87.4 | Confident | 9 Ų | 9 | 10.9 Ų | 10.9 | 5% | 0.047 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.9 | -48.6 | 172.1 | -176.6 | 59.3 | 0 | 0 | 0 | 111 | I2904 A2936 I2939 E2940 V2943 V3029 H3030 A3031 L3035 M3036 Y3037 | I2904-L3033 HydrophobicContact CD1-CD2 4.33Å; I2904-L3033 HydrophobicContact CD1-CG 4.34Å; A2936-L3033 HydrophobicContact CB-CD1 4.11Å; I2939-L3033 HydrophobicContact CB-CD1 4.17Å; I2939-L3033 HydrophobicContact CG2-CB 3.82Å; I2939-L3033 HydrophobicContact CG2-CD1 4.13Å; E2940-L3033 HydrophobicContact CG-CD1 3.73Å; E2940-L3033 HydrophobicContact CG-CD2 3.67Å; E2940-L3033 HydrophobicContact CG-CG 4.36Å; V2943-L3033 HydrophobicContact CG2-CD2 4.46Å; V3029-L3033 PolarHBondContact O-N 3.33Å; H3030-L3033 WeakPolarHBondContact O-CB 3.38Å; H3030-L3033 PolarHBondContact O-N 2.94Å; A3031-L3033 VanDerWaalsContact C-N 3.31Å; A3031-L3033 PolarHBondContact O-N 2.77Å; L3033-L3035 VanDerWaalsContact C-N 3.3Å; L3033-L3035 PolarHBondContact O-N 3.4Å; L3033-M3036 WeakPolarHBondContact O-CB 3.47Å; L3033-M3036 PolarHBondContact O-N 3.03Å; L3033-Y3037 HydrophobicContact CD1-CD2 4.09Å; L3033-Y3037 HydrophobicContact CD1-CE2 3.7Å; L3033-Y3037 HydrophobicContact CD2-CE2 4.49Å; L3033-Y3037 HydrophobicContact CG-CD2 4.08Å; L3033-Y3037 HydrophobicContact CG-CE2 3.9Å; L3033-Y3037 WeakPolarHBondContact O-CD2 3.46Å; L3033-Y3037 PolarHBondContact O-N 2.93Å; L3033-Y3037 VanDerWaalsContact O-N 3.09Å |
| 3034 | S | 87.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 10.8 Ų | 10.8 | 3% | 0.028 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.2 | -41.4 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | S2903 H3030 A3031 M3036 Y3037 W3038 | S2903-S3034 PolarHBondContact OG-OG 2.94Å; H3030-S3034 PolarHBondContact O-N 2.99Å; A3031-S3034 PolarHBondContact O-N 3.36Å; S3034-M3036 VanDerWaalsContact C-N 3.32Å; S3034-M3036 PolarHBondContact O-N 3.36Å; S3034-Y3037 PolarHBondContact O-N 3.48Å; S3034-W3038 PolarHBondContact O-N 3.04Å |
| 3035 | L | 89.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.4 | -43.8 | 172 | -177.4 | 85.2 | 0 | 0 | 0 | 112.3 | A3031 T3032 L3033 W3038 A3039 V3080 T3129 L3132 V3133 L3150 A3153 V3157 | A3031-L3035 PolarHBondContact O-N 2.97Å; T3032-L3035 WeakPolarHBondContact O-CB 3.46Å; L3033-L3035 VanDerWaalsContact C-N 3.3Å; L3033-L3035 PolarHBondContact O-N 3.4Å; L3035-W3038 PolarHBondContact O-N 3.19Å; L3035-A3039 WeakPolarHBondContact O-CB 3.39Å; L3035-A3039 PolarHBondContact O-N 3.49Å; L3035-V3080 HydrophobicContact CD2-CG1 4.36Å; L3035-V3080 HydrophobicContact CD2-CG2 4.46Å; L3035-T3129 HydrophobicContact CD1-CG2 3.99Å; L3035-T3129 HydrophobicContact CD2-CG2 3.43Å; L3035-T3129 VanDerWaalsContact CD2-CG2 3.43Å; L3035-T3129 HydrophobicContact CG-CG2 4.33Å; L3035-L3132 HydrophobicContact CD2-CD2 3.87Å; L3035-L3132 HydrophobicContact CG-CD2 4.32Å; L3035-V3133 HydrophobicContact CD1-CG2 3.76Å; L3035-L3150 HydrophobicContact CD1-CD1 3.66Å; L3035-L3150 HydrophobicContact CD1-CG 4.45Å; L3035-L3150 HydrophobicContact CG-CD1 4.16Å; L3035-A3153 HydrophobicContact CB-CB 4.16Å; L3035-A3153 HydrophobicContact CD1-CB 4.1Å; L3035-V3157 HydrophobicContact CB-CG2 4.48Å |
| 3036 | M | 89.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 178.9 | -161.9 | 66 | 73.7 | 0 | 0 | 111.7 | L2932 L2935 A2936 I2939 T3032 L3033 S3034 A3039 A3040 A3077 V3080 L3132 | L2932-M3036 HydrophobicContact CD2-SD 3.9Å; L2935-M3036 HydrophobicContact CB-CE 4.18Å; A2936-M3036 HydrophobicContact CB-CB 4.35Å; A2936-M3036 HydrophobicContact CB-CG 3.84Å; I2939-M3036 HydrophobicContact CD1-CB 4.5Å; I2939-M3036 HydrophobicContact CD1-CE 3.62Å; T3032-M3036 PolarHBondContact O-N 3.21Å; T3032-M3036 VanDerWaalsContact O-N 3.12Å; L3033-M3036 WeakPolarHBondContact O-CB 3.47Å; L3033-M3036 PolarHBondContact O-N 3.03Å; S3034-M3036 VanDerWaalsContact C-N 3.32Å; S3034-M3036 PolarHBondContact O-N 3.36Å; M3036-A3039 PolarHBondContact O-N 3.06Å; M3036-A3040 PolarHBondContact O-N 3.24Å; M3036-A3077 HydrophobicContact CE-CB 4.05Å; M3036-A3077 HydrophobicContact SD-CB 3.87Å; M3036-V3080 HydrophobicContact CE-CB 4.36Å; M3036-V3080 HydrophobicContact CE-CG1 4.32Å; M3036-L3132 HydrophobicContact SD-CD2 4.36Å |
| 3037 | Y | 87.6 | Confident | 85.6 | Confident | 25 Ų | 25 | 12.6 Ų | 12.6 | 10% | 0.098 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 173.5 | -82 | -76.7 | 0 | 0 | 0 | 112.7 | I2904 N2908 Q2933 A2936 E2940 L3033 S3034 A3040 A3041 | I2904-Y3037 HydrophobicContact CG1-CD2 4.13Å; I2904-Y3037 HydrophobicContact CG2-CD1 4.39Å; I2904-Y3037 HydrophobicContact CG2-CD2 3.84Å; I2904-Y3037 HydrophobicContact CG2-CE2 4.09Å; I2904-Y3037 HydrophobicContact CG2-CG 4.02Å; N2908-Y3037 WeakPolarHBondContact OD1-CD1 3.46Å; Q2933-Y3037 PolarHBondContact NE2-OH 3.4Å; A2936-Y3037 HydrophobicContact CB-CE2 4.48Å; E2940-Y3037 PolarHBondContact OE1-OH 2.74Å; L3033-Y3037 HydrophobicContact CD1-CD2 4.09Å; L3033-Y3037 HydrophobicContact CD1-CE2 3.7Å; L3033-Y3037 HydrophobicContact CD2-CE2 4.49Å; L3033-Y3037 HydrophobicContact CG-CD2 4.08Å; L3033-Y3037 HydrophobicContact CG-CE2 3.9Å; L3033-Y3037 WeakPolarHBondContact O-CD2 3.46Å; L3033-Y3037 PolarHBondContact O-N 2.93Å; L3033-Y3037 VanDerWaalsContact O-N 3.09Å; S3034-Y3037 PolarHBondContact O-N 3.48Å; Y3037-A3040 PolarHBondContact O-N 3.26Å; Y3037-A3041 PolarHBondContact O-N 3.46Å |
| 3038 | W | 88.1 | Confident | 84.8 | Confident | 11 Ų | 11 | 16.3 Ų | 16.3 | 4% | 0.042 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.2 | -33.3 | 173.1 | -78.5 | 110.9 | 0 | 0 | 0 | 113.2 | S2903 E2906 A2907 S3034 L3035 A3041 A3042 L3150 | S2903-W3038 PolarHBondContact O-NE1 3.31Å; S2903-W3038 PolarHBondContact OG-NE1 3.47Å; E2906-W3038 HydrophobicContact CB-CH2 4.07Å; E2906-W3038 HydrophobicContact CB-CZ2 3.87Å; A2907-W3038 HydrophobicContact CB-CD2 3.61Å; A2907-W3038 HydrophobicContact CB-CE3 3.94Å; A2907-W3038 HydrophobicContact CB-CG 3.95Å; A2907-W3038 HydrophobicContact CB-CH2 4.42Å; A2907-W3038 HydrophobicContact CB-CZ2 4.13Å; A2907-W3038 HydrophobicContact CB-CZ3 4.32Å; S3034-W3038 PolarHBondContact O-N 3.04Å; L3035-W3038 PolarHBondContact O-N 3.19Å; W3038-A3041 HydrophobicContact CE3-CB 4.21Å; W3038-A3041 WeakPolarHBondContact O-CB 3.4Å; W3038-A3041 PolarHBondContact O-N 2.99Å; W3038-A3042 WeakPolarHBondContact O-CB 3.43Å; W3038-A3042 PolarHBondContact O-N 3.07Å; W3038-L3150 HydrophobicContact CB-CB 4.01Å; W3038-L3150 HydrophobicContact CB-CD1 3.91Å |
| 3039 | A | 86.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2932 L3035 M3036 A3042 Q3043 L3132 L3150 | L2932-A3039 HydrophobicContact CD1-CB 4.43Å; L3035-A3039 WeakPolarHBondContact O-CB 3.39Å; L3035-A3039 PolarHBondContact O-N 3.49Å; M3036-A3039 PolarHBondContact O-N 3.06Å; A3039-A3042 PolarHBondContact O-N 3.2Å; A3039-Q3043 PolarHBondContact O-N 2.9Å; A3039-L3132 HydrophobicContact CB-CD1 4.44Å; A3039-L3132 HydrophobicContact CB-CD2 4.3Å; A3039-L3132 HydrophobicContact CB-CG 4.46Å; A3039-L3150 HydrophobicContact CB-CD1 4.08Å |
| 3040 | A | 85.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 2% | 0.017 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.1 | -33.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2932 M3036 Y3037 R3044 | L2932-A3040 HydrophobicContact CB-CB 4.46Å; L2932-A3040 HydrophobicContact CD1-CB 4.23Å; M3036-A3040 PolarHBondContact O-N 3.24Å; Y3037-A3040 PolarHBondContact O-N 3.26Å; A3040-R3044 WeakPolarHBondContact O-CB 3.49Å; A3040-R3044 VanDerWaalsContact O-CG 3.27Å; A3040-R3044 WeakPolarHBondContact O-CG 3.25Å; A3040-R3044 PolarHBondContact O-N 2.89Å; A3040-R3044 PolarHBondContact O-NE 3.42Å |
| 3041 | A | 83.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -48.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y3037 W3038 Q3043 R3044 E3045 | Y3037-A3041 PolarHBondContact O-N 3.46Å; W3038-A3041 HydrophobicContact CE3-CB 4.21Å; W3038-A3041 WeakPolarHBondContact O-CB 3.4Å; W3038-A3041 PolarHBondContact O-N 2.99Å; A3041-Q3043 VanDerWaalsContact C-N 3.31Å; A3041-Q3043 PolarHBondContact O-N 3.38Å; A3041-R3044 PolarHBondContact O-N 3.05Å; A3041-R3044 VanDerWaalsContact O-N 3.17Å; A3041-E3045 WeakPolarHBondContact O-CB 3.43Å; A3041-E3045 PolarHBondContact O-N 2.89Å |
| 3042 | A | 83.7 | Confident | 80 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.5 | -36.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W3038 A3039 L3046 S3146 | W3038-A3042 WeakPolarHBondContact O-CB 3.43Å; W3038-A3042 PolarHBondContact O-N 3.07Å; A3039-A3042 PolarHBondContact O-N 3.2Å; A3042-L3046 WeakPolarHBondContact O-CB 3.44Å; A3042-L3046 WeakPolarHBondContact O-CG 3.3Å; A3042-L3046 PolarHBondContact O-N 3.48Å; A3042-S3146 VanDerWaalsContact CA-CB 3.49Å |
| 3043 | Q | 81.9 | Confident | 78.3 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 172.9 | -167.6 | -156.7 | -47.5 | 0 | 0 | 112.1 | L2932 A3039 A3041 E3045 L3046 V3047 L3052 | L2932-Q3043 HydrophobicContact CD1-CB 4.44Å; A3039-Q3043 PolarHBondContact O-N 2.9Å; A3041-Q3043 VanDerWaalsContact C-N 3.31Å; A3041-Q3043 PolarHBondContact O-N 3.38Å; Q3043-E3045 VanDerWaalsContact C-N 3.31Å; Q3043-E3045 PolarHBondContact O-N 3.3Å; Q3043-L3046 WeakPolarHBondContact O-CB 3.22Å; Q3043-L3046 PolarHBondContact O-N 3.26Å; Q3043-V3047 WeakPolarHBondContact O-CG2 3.41Å; Q3043-V3047 PolarHBondContact O-N 2.94Å; Q3043-L3052 HydrophobicContact CG-CD1 4.35Å |
| 3044 | R | 79 | Confident | 76.4 | Confident | 54 Ų | 54 | 37.7 Ų | 37.7 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 175.3 | -75.4 | 174.7 | -68.2 | 170.9 | 4 | 111.3 | A2907 A3040 A3041 L3046 V3047 Q3048 | A2907-R3044 PolarHBondContact O-NH2 3.1Å; A2907-R3044 VanDerWaalsContact O-NH2 3.13Å; A3040-R3044 WeakPolarHBondContact O-CB 3.49Å; A3040-R3044 VanDerWaalsContact O-CG 3.27Å; A3040-R3044 WeakPolarHBondContact O-CG 3.25Å; A3040-R3044 PolarHBondContact O-N 2.89Å; A3040-R3044 PolarHBondContact O-NE 3.42Å; A3041-R3044 PolarHBondContact O-N 3.05Å; A3041-R3044 VanDerWaalsContact O-N 3.17Å; R3044-L3046 PolarHBondContact O-N 3.09Å; R3044-V3047 PolarHBondContact O-N 3.41Å; R3044-Q3048 WeakPolarHBondContact O-CG 3.44Å; R3044-Q3048 PolarHBondContact O-N 3.39Å |
| 3045 | E | 79.6 | Confident | 74.4 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 175.6 | -161.1 | -168.2 | 154.9 | 0 | 0 | 111.7 | A3041 Q3043 V3047 Q3048 Q3049 S3144 S3146 | A3041-E3045 WeakPolarHBondContact O-CB 3.43Å; A3041-E3045 PolarHBondContact O-N 2.89Å; Q3043-E3045 VanDerWaalsContact C-N 3.31Å; Q3043-E3045 PolarHBondContact O-N 3.3Å; E3045-V3047 VanDerWaalsContact C-N 3.32Å; E3045-V3047 PolarHBondContact O-N 3.39Å; E3045-Q3048 PolarHBondContact O-N 3.05Å; E3045-Q3049 HydrophobicContact CG-CG 4.48Å; E3045-Q3049 WeakPolarHBondContact O-CB 3.44Å; E3045-Q3049 VanDerWaalsContact O-CG 3.3Å; E3045-Q3049 WeakPolarHBondContact O-CG 3.22Å; E3045-Q3049 PolarHBondContact O-N 2.77Å; E3045-Q3049 PolarHBondContact OE1-NE2 2.97Å; E3045-S3144 WeakPolarHBondContact OE1-CB 3.32Å; E3045-S3144 PolarHBondContact OE1-OG 3.02Å; E3045-S3144 VanDerWaalsContact OE2-CB 3.27Å; E3045-S3144 WeakPolarHBondContact OE2-CB 3.27Å; E3045-S3144 PolarHBondContact OE2-OG 3.16Å; E3045-S3146 WeakPolarHBondContact OE2-CB 3.49Å; E3045-S3146 PolarHBondContact OE2-OG 3.12Å |
| 3046 | L | 76.7 | Confident | 72 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -36.9 | 175.8 | -85.4 | 172.5 | 0 | 0 | 0 | 113.8 | A3042 Q3043 R3044 R3051 L3052 W3069 K3139 A3140 | A3042-L3046 WeakPolarHBondContact O-CB 3.44Å; A3042-L3046 WeakPolarHBondContact O-CG 3.3Å; A3042-L3046 PolarHBondContact O-N 3.48Å; Q3043-L3046 WeakPolarHBondContact O-CB 3.22Å; Q3043-L3046 PolarHBondContact O-N 3.26Å; R3044-L3046 PolarHBondContact O-N 3.09Å; L3046-R3051 HydrophobicContact CD2-CB 3.91Å; L3046-R3051 PolarHBondContact O-N 3.14Å; L3046-R3051 VanDerWaalsContact O-N 3.08Å; L3046-L3052 HydrophobicContact CB-CD1 3.59Å; L3046-L3052 HydrophobicContact CB-CG 3.98Å; L3046-L3052 HydrophobicContact CD1-CD1 4.28Å; L3046-L3052 PolarHBondContact O-N 2.98Å; L3046-W3069 HydrophobicContact CD1-CH2 3.59Å; L3046-W3069 HydrophobicContact CD1-CZ2 3.91Å; L3046-K3139 HydrophobicContact CD1-CB 4.09Å; L3046-K3139 HydrophobicContact CD2-CB 4.15Å; L3046-K3139 WeakPolarHBondContact CD2-O 3.48Å; L3046-A3140 HydrophobicContact CD1-CB 4.24Å; L3046-A3140 HydrophobicContact CD2-CB 4.33Å; L3046-A3140 HydrophobicContact CG-CB 4.23Å |
| 3047 | V | 74 | Confident | 69.7 | Low | 58 Ų | 58 | 55.7 Ų | 55.7 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.5 | -45.6 | 173 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | Q3043 R3044 E3045 Q3049 G3050 L3052 | Q3043-V3047 WeakPolarHBondContact O-CG2 3.41Å; Q3043-V3047 PolarHBondContact O-N 2.94Å; R3044-V3047 PolarHBondContact O-N 3.41Å; E3045-V3047 VanDerWaalsContact C-N 3.32Å; E3045-V3047 PolarHBondContact O-N 3.39Å; V3047-Q3049 VanDerWaalsContact C-N 3.35Å; V3047-Q3049 PolarHBondContact O-N 2.84Å; V3047-G3050 PolarHBondContact O-N 3.29Å; V3047-L3052 HydrophobicContact CG2-CB 4.06Å; V3047-L3052 HydrophobicContact CG2-CD1 4.02Å |
| 3048 | Q | 70.5 | Confident | 67.2 | Low | 102 Ų | 102 | 59.4 Ų | 59.4 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 177.7 | -72.1 | 175.4 | 1.5 | 0 | 0 | 112.9 | R3044 E3045 G3050 | R3044-Q3048 WeakPolarHBondContact O-CG 3.44Å; R3044-Q3048 PolarHBondContact O-N 3.39Å; E3045-Q3048 PolarHBondContact O-N 3.05Å; Q3048-G3050 PolarHBondContact O-N 3.23Å |
| 3049 | Q | 68.8 | Low | 64.9 | Low | 78 Ų | 78 | 67.1 Ų | 67.1 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -5.1 | 174.2 | -69.9 | -179 | 11.3 | 0 | 0 | 113.2 | E3045 V3047 R3051 | E3045-Q3049 HydrophobicContact CG-CG 4.48Å; E3045-Q3049 WeakPolarHBondContact O-CB 3.44Å; E3045-Q3049 VanDerWaalsContact O-CG 3.3Å; E3045-Q3049 WeakPolarHBondContact O-CG 3.22Å; E3045-Q3049 PolarHBondContact O-N 2.77Å; E3045-Q3049 PolarHBondContact OE1-NE2 2.97Å; V3047-Q3049 VanDerWaalsContact C-N 3.35Å; V3047-Q3049 PolarHBondContact O-N 2.84Å; Q3049-R3051 HydrophobicContact CB-CB 4.47Å; Q3049-R3051 HydrophobicContact CB-CG 3.93Å; Q3049-R3051 PolarHBondContact O-N 3.47Å |
| 3050 | G | 63.5 | Low | 62.8 | Low | 51 Ų | 51 | 71.7 Ų | 71.7 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 12.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V3047 Q3048 L3052 | V3047-G3050 PolarHBondContact O-N 3.29Å; Q3048-G3050 PolarHBondContact O-N 3.23Å; G3050-L3052 VanDerWaalsContact C-N 3.29Å |
| 3051 | R | 62.7 | Low | 60.9 | Low | 112 Ų | 112 | 76.6 Ų | 76.6 | 42% | 0.423 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -84.1 | -6.7 | 178.6 | -62.8 | -178.6 | 77.1 | -171.2 | -3.1 | 112.7 | L3046 Q3049 K3139 | L3046-R3051 HydrophobicContact CD2-CB 3.91Å; L3046-R3051 PolarHBondContact O-N 3.14Å; L3046-R3051 VanDerWaalsContact O-N 3.08Å; Q3049-R3051 HydrophobicContact CB-CB 4.47Å; Q3049-R3051 HydrophobicContact CB-CG 3.93Å; Q3049-R3051 PolarHBondContact O-N 3.47Å; R3051-K3139 PolarHBondContact NH1-O 3.49Å; R3051-K3139 VanDerWaalsContact NH1-O 3.14Å; R3051-K3139 PolarHBondContact NH2-O 3.21Å |
| 3052 | L | 61 | Low | 59.2 | Low | 24 Ų | 24 | 82 Ų | 82 | 13% | 0.126 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -124.4 | 120.1 | 162 | -65.6 | 172 | 0 | 0 | 0 | 107.5 | Q3043 L3046 V3047 G3050 W3069 K3139 | Q3043-L3052 HydrophobicContact CG-CD1 4.35Å; L3046-L3052 HydrophobicContact CB-CD1 3.59Å; L3046-L3052 HydrophobicContact CB-CG 3.98Å; L3046-L3052 HydrophobicContact CD1-CD1 4.28Å; L3046-L3052 PolarHBondContact O-N 2.98Å; V3047-L3052 HydrophobicContact CG2-CB 4.06Å; V3047-L3052 HydrophobicContact CG2-CD1 4.02Å; G3050-L3052 VanDerWaalsContact C-N 3.29Å; L3052-W3069 HydrophobicContact CD1-CH2 4.16Å; L3052-W3069 HydrophobicContact CD1-CZ3 3.79Å; L3052-W3069 HydrophobicContact CD2-CE3 3.97Å; L3052-W3069 HydrophobicContact CD2-CH2 4.49Å; L3052-W3069 HydrophobicContact CD2-CZ3 3.67Å; L3052-W3069 HydrophobicContact CG-CZ3 4.35Å; L3052-K3139 HydrophobicContact CD2-CD 4.31Å |
| 3053 | K | 54.1 | Low | 57.3 | Low | 135 Ų | 135 | 84.7 Ų | 84.7 | 59% | 0.587 | 44% | 0.441 | S | S | * | . | trans | -83.2 | 147.5 | 179.2 | -72.7 | 174.2 | -178.3 | 166.4 | 0 | 111.3 | I3055 | K3053-I3055 PolarHBondContact O-N 3.07Š| ||
| 3054 | P | 49.9 | Very low | 55.4 | Low | 81 Ų | 81 | 90.8 Ų | 90.8 | 53% | 0.526 | 47% | 0.469 | S | S | . | . | trans | -60.1 | 131.5 | 165.9 | -23.2 | 34.4 | 0 | 0 | 0 | 112 | T2925 D3056 | T2925-P3054 VanDerWaalsContact CG2-CA 3.44Å; T2925-P3054 HydrophobicContact CG2-CB 3.9Å; T2925-P3054 HydrophobicContact CG2-CG 4.37Å; P3054-D3056 PolarHBondContact O-N 3.27Å | ||
| 3055 | I | 46.5 | Very low | 54.1 | Low | 102 Ų | 102 | 91.3 Ų | 91.3 | 52% | 0.523 | 48% | 0.481 | S | S | . | . | trans | -81.8 | 57.2 | -174.3 | -48.7 | 176 | 0 | 0 | 0 | 109.8 | S2924 K3053 L3063 | S2924-I3055 PolarHBondContact OG-O 3.31Å; K3053-I3055 PolarHBondContact O-N 3.07Å; I3055-L3063 HydrophobicContact CG2-CD2 4.34Å | ||
| 3056 | D | 38.1 | Very low | 52.8 | Low | 95 Ų | 95 | 91.6 Ų | 91.6 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | trans | -107.4 | 107.3 | 178 | -77.1 | -44.9 | 0 | 0 | 0 | 110.9 | P3054 | P3054-D3056 PolarHBondContact O-N 3.27Š| ||
| 3057 | K | 42.2 | Very low | 52.3 | Low | 186 Ų | 186 | 94.9 Ų | 94.9 | 81% | 0.809 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 95 | 140.7 | 175.2 | -58.3 | 164.5 | -176.3 | 169 | 0 | 116 | ||
| 3058 | P | 35.6 | Very low | 51.9 | Low | 103 Ų | 103 | 97.3 Ų | 97.3 | 67% | 0.669 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -82.3 | 172 | -174.7 | 35.9 | -37.6 | 0 | 0 | 0 | 112.8 | ||
| 3059 | Q | 39.6 | Very low | 52.1 | Low | 172 Ų | 172 | 94.1 Ų | 94.1 | 80% | 0.804 | 50% | 0.497 | S | S | * | . | trans | 81.4 | 63.4 | 169.6 | -51.8 | -179.1 | -35.3 | 0 | 0 | 117.3 | ||||
| 3060 | N | 43.7 | Very low | 52.5 | Low | 97 Ų | 97 | 91.3 Ų | 91.3 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | trans | -146.8 | 127.8 | 156.4 | -144.4 | 16.8 | 0 | 0 | 0 | 110.5 | D3062 L3063 | N3060-D3062 VanDerWaalsContact C-N 3.26Å; N3060-D3062 PolarHBondContact O-N 2.97Å; N3060-L3063 HydrophobicContact CB-CD1 4.12Å; N3060-L3063 PolarHBondContact O-N 3.44Å | ||
| 3061 | P | 45 | Very low | 53 | Low | 104 Ų | 104 | 95 Ų | 95 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.4 | -171.8 | 23.5 | -33.6 | 0 | 0 | 0 | 114.8 | L3063 | P3061-L3063 PolarHBondContact O-N 3.21Š|
| 3062 | D | 46.5 | Very low | 53.7 | Low | 116 Ų | 116 | 91.1 Ų | 91.1 | 62% | 0.62 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.6 | 176.5 | -68.8 | -27 | 0 | 0 | 0 | 113.5 | N3060 E3064 S3065 | N3060-D3062 VanDerWaalsContact C-N 3.26Å; N3060-D3062 PolarHBondContact O-N 2.97Å; D3062-E3064 VanDerWaalsContact C-N 3.28Å; D3062-E3064 PolarHBondContact O-N 2.93Å; D3062-S3065 PolarHBondContact O-N 3.1Å; D3062-S3065 PolarHBondContact O-OG 3.4Å |
| 3063 | L | 45.2 | Very low | 54.8 | Low | 60 Ų | 60 | 90 Ų | 90 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -24.9 | -176.9 | -99.1 | 76 | 0 | 0 | 0 | 113.8 | I3055 N3060 P3061 S3065 E3066 S3067 | I3055-L3063 HydrophobicContact CG2-CD2 4.34Å; N3060-L3063 HydrophobicContact CB-CD1 4.12Å; N3060-L3063 PolarHBondContact O-N 3.44Å; P3061-L3063 PolarHBondContact O-N 3.21Å; L3063-S3065 PolarHBondContact O-N 2.92Å; L3063-E3066 PolarHBondContact O-N 3.15Å; L3063-E3066 VanDerWaalsContact O-N 3.09Å; L3063-S3067 PolarHBondContact O-N 3.43Å |
| 3064 | E | 41.4 | Very low | 56.1 | Low | 136 Ų | 136 | 84.5 Ų | 84.5 | 64% | 0.636 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62 | -31.1 | 177.8 | -67.1 | -176.7 | 175.2 | 0 | 0 | 111.9 | D3062 S3067 Q3068 | D3062-E3064 VanDerWaalsContact C-N 3.28Å; D3062-E3064 PolarHBondContact O-N 2.93Å; E3064-S3067 PolarHBondContact O-OG 3.43Å; E3064-S3067 VanDerWaalsContact O-OG 3.09Å; E3064-Q3068 WeakPolarHBondContact O-CB 3.37Å; E3064-Q3068 WeakPolarHBondContact O-CG 3.21Å; E3064-Q3068 PolarHBondContact O-N 3.29Å; E3064-Q3068 VanDerWaalsContact O-N 3.14Å |
| 3065 | S | 50.5 | Low | 57.6 | Low | 65 Ų | 65 | 82.5 Ų | 82.5 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.7 | -28.8 | 176 | 75.8 | 0 | 0 | 0 | 0 | 113 | D3062 L3063 W3069 | D3062-S3065 PolarHBondContact O-N 3.1Å; D3062-S3065 PolarHBondContact O-OG 3.4Å; L3063-S3065 PolarHBondContact O-N 2.92Å; S3065-W3069 PolarHBondContact O-N 2.99Å |
| 3066 | E | 54.2 | Low | 59.4 | Low | 44 Ų | 44 | 77.9 Ų | 77.9 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -77.2 | -40.8 | 176.9 | -64 | -166.8 | 146.3 | 0 | 0 | 111.2 | L3063 W3069 A3070 | L3063-E3066 PolarHBondContact O-N 3.15Å; L3063-E3066 VanDerWaalsContact O-N 3.09Å; E3066-W3069 PolarHBondContact O-N 2.77Å; E3066-A3070 VanDerWaalsContact O-CB 3.31Å; E3066-A3070 WeakPolarHBondContact O-CB 3.48Å; E3066-A3070 PolarHBondContact O-N 3.39Å |
| 3067 | S | 65.3 | Low | 61.8 | Low | 71 Ų | 71 | 73.4 Ų | 73.4 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 176.1 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | L3063 E3064 A3070 Q3071 | L3063-S3067 PolarHBondContact O-N 3.43Å; E3064-S3067 PolarHBondContact O-OG 3.43Å; E3064-S3067 VanDerWaalsContact O-OG 3.09Å; S3067-A3070 PolarHBondContact O-N 3Å; S3067-Q3071 WeakPolarHBondContact O-CB 3.09Å; S3067-Q3071 PolarHBondContact O-N 3.04Å |
| 3068 | Q | 64.9 | Low | 64 | Low | 110 Ų | 110 | 69.5 Ų | 69.5 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 175.9 | -74.8 | -177.2 | 11 | 0 | 0 | 112.8 | E3064 G3072 | E3064-Q3068 WeakPolarHBondContact O-CB 3.37Å; E3064-Q3068 WeakPolarHBondContact O-CG 3.21Å; E3064-Q3068 PolarHBondContact O-N 3.29Å; E3064-Q3068 VanDerWaalsContact O-N 3.14Å; Q3068-G3072 PolarHBondContact O-N 2.97Å |
| 3069 | W | 76.4 | Confident | 66.4 | Low | 35 Ų | 35 | 67.5 Ų | 67.5 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.3 | 176.6 | 83.1 | 0 | 0 | 0 | 111.6 | L3046 L3052 S3065 E3066 Q3071 G3072 L3073 A3135 K3139 | L3046-W3069 HydrophobicContact CD1-CH2 3.59Å; L3046-W3069 HydrophobicContact CD1-CZ2 3.91Å; L3052-W3069 HydrophobicContact CD1-CH2 4.16Å; L3052-W3069 HydrophobicContact CD1-CZ3 3.79Å; L3052-W3069 HydrophobicContact CD2-CE3 3.97Å; L3052-W3069 HydrophobicContact CD2-CH2 4.49Å; L3052-W3069 HydrophobicContact CD2-CZ3 3.67Å; L3052-W3069 HydrophobicContact CG-CZ3 4.35Å; S3065-W3069 PolarHBondContact O-N 2.99Å; E3066-W3069 PolarHBondContact O-N 2.77Å; W3069-Q3071 PolarHBondContact O-N 3.1Å; W3069-G3072 PolarHBondContact O-N 3.39Å; W3069-L3073 HydrophobicContact CH2-CD2 3.64Å; W3069-L3073 HydrophobicContact CZ2-CD2 4.08Å; W3069-L3073 HydrophobicContact CZ3-CD2 4.07Å; W3069-L3073 PolarHBondContact O-N 2.95Å; W3069-A3135 PolarHBondContact NE1-O 2.93Å; W3069-K3139 HydrophobicContact CB-CD 4.49Å; W3069-K3139 HydrophobicContact CD2-CD 3.63Å; W3069-K3139 HydrophobicContact CD2-CG 4.07Å; W3069-K3139 HydrophobicContact CE3-CD 4Å; W3069-K3139 HydrophobicContact CG-CD 3.84Å; W3069-K3139 HydrophobicContact CG-CG 4.17Å; W3069-K3139 HydrophobicContact CZ2-CB 4Å; W3069-K3139 HydrophobicContact CZ2-CD 4.43Å; W3069-K3139 HydrophobicContact CZ2-CG 4.33Å |
| 3070 | A | 75.8 | Confident | 68.8 | Low | 18 Ų | 18 | 59.3 Ų | 59.3 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V2928 E3066 S3067 G3072 L3073 I3074 | V2928-A3070 HydrophobicContact CG2-CB 3.77Å; E3066-A3070 VanDerWaalsContact O-CB 3.31Å; E3066-A3070 WeakPolarHBondContact O-CB 3.48Å; E3066-A3070 PolarHBondContact O-N 3.39Å; S3067-A3070 PolarHBondContact O-N 3Å; A3070-G3072 VanDerWaalsContact C-N 3.34Å; A3070-L3073 PolarHBondContact O-N 3.34Å; A3070-I3074 WeakPolarHBondContact O-CG1 3.16Å; A3070-I3074 PolarHBondContact O-N 3.43Å |
| 3071 | Q | 74.6 | Confident | 70.9 | Confident | 130 Ų | 130 | 54.7 Ų | 54.7 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | 176.4 | -170.5 | 70.2 | -20.4 | 0 | 0 | 111.9 | S3067 W3069 I3074 S3075 | S3067-Q3071 WeakPolarHBondContact O-CB 3.09Å; S3067-Q3071 PolarHBondContact O-N 3.04Å; W3069-Q3071 PolarHBondContact O-N 3.1Å; Q3071-I3074 PolarHBondContact O-N 2.68Å; Q3071-S3075 WeakPolarHBondContact O-CB 3.38Å; Q3071-S3075 PolarHBondContact O-N 3.49Å; Q3071-S3075 PolarHBondContact O-OG 3.13Å |
| 3072 | G | 77.6 | Confident | 72.9 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q3068 W3069 A3070 S3075 A3076 | Q3068-G3072 PolarHBondContact O-N 2.97Å; W3069-G3072 PolarHBondContact O-N 3.39Å; A3070-G3072 VanDerWaalsContact C-N 3.34Å; G3072-S3075 PolarHBondContact O-N 3.34Å; G3072-S3075 PolarHBondContact O-OG 3.38Å; G3072-A3076 PolarHBondContact O-N 2.87Å |
| 3073 | L | 83.6 | Confident | 74.7 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | 176.5 | 178.8 | 60.9 | 0 | 0 | 0 | 112 | V2928 W3069 A3070 S3075 A3076 A3077 L3132 A3135 C3136 | V2928-L3073 HydrophobicContact CG1-CD2 4.08Å; W3069-L3073 HydrophobicContact CH2-CD2 3.64Å; W3069-L3073 HydrophobicContact CZ2-CD2 4.08Å; W3069-L3073 HydrophobicContact CZ3-CD2 4.07Å; W3069-L3073 PolarHBondContact O-N 2.95Å; A3070-L3073 PolarHBondContact O-N 3.34Å; L3073-S3075 VanDerWaalsContact C-N 3.31Å; L3073-S3075 PolarHBondContact O-N 3.45Å; L3073-A3076 PolarHBondContact O-N 3.3Å; L3073-A3077 WeakPolarHBondContact O-CB 3.4Å; L3073-A3077 PolarHBondContact O-N 2.9Å; L3073-L3132 HydrophobicContact CD1-CD1 3.6Å; L3073-A3135 HydrophobicContact CD1-CB 4.25Å; L3073-C3136 WeakPolarHBondContact CD1-SG 3.33Å |
| 3074 | I | 81.5 | Confident | 76.8 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 174.2 | -69.4 | 170.7 | 0 | 0 | 0 | 110.7 | V2928 A2931 A3070 Q3071 A3077 R3078 | V2928-I3074 HydrophobicContact CB-CD1 4.42Å; V2928-I3074 HydrophobicContact CG1-CD1 4.32Å; V2928-I3074 HydrophobicContact CG1-CG1 3.97Å; V2928-I3074 HydrophobicContact CG2-CD1 4.18Å; A2931-I3074 HydrophobicContact CB-CD1 4.25Å; A2931-I3074 HydrophobicContact CB-CG1 4.19Å; A3070-I3074 WeakPolarHBondContact O-CG1 3.16Å; A3070-I3074 PolarHBondContact O-N 3.43Å; Q3071-I3074 PolarHBondContact O-N 2.68Å; I3074-A3077 PolarHBondContact O-N 3.5Å; I3074-R3078 HydrophobicContact CG2-CG 4.38Å; I3074-R3078 VanDerWaalsContact CG2-NE 3.29Å; I3074-R3078 WeakPolarHBondContact O-CG 3.41Å; I3074-R3078 PolarHBondContact O-N 3.04Å |
| 3075 | S | 82.5 | Confident | 79 | Confident | 39 Ų | 39 | 36.7 Ų | 36.7 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.2 | -42.7 | -179.7 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | Q3071 G3072 L3073 A3077 R3078 Y3079 | Q3071-S3075 WeakPolarHBondContact O-CB 3.38Å; Q3071-S3075 PolarHBondContact O-N 3.49Å; Q3071-S3075 PolarHBondContact O-OG 3.13Å; G3072-S3075 PolarHBondContact O-N 3.34Å; G3072-S3075 PolarHBondContact O-OG 3.38Å; L3073-S3075 VanDerWaalsContact C-N 3.31Å; L3073-S3075 PolarHBondContact O-N 3.45Å; S3075-A3077 PolarHBondContact O-N 3.28Å; S3075-R3078 PolarHBondContact O-N 3.31Å; S3075-Y3079 WeakPolarHBondContact O-CD1 3.48Å; S3075-Y3079 WeakPolarHBondContact O-CD2 3.45Å; S3075-Y3079 PolarHBondContact O-N 3.48Å |
| 3076 | A | 83.6 | Confident | 80.7 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G3072 L3073 Y3079 V3080 L3132 A3135 | G3072-A3076 PolarHBondContact O-N 2.87Å; L3073-A3076 PolarHBondContact O-N 3.3Å; A3076-Y3079 PolarHBondContact O-N 3.31Å; A3076-V3080 PolarHBondContact O-N 3.01Å; A3076-V3080 VanDerWaalsContact O-N 3.07Å; A3076-L3132 HydrophobicContact CB-CB 4.18Å; A3076-L3132 HydrophobicContact CB-CD1 4.1Å; A3076-A3135 HydrophobicContact CB-CB 4.3Å |
| 3077 | A | 87.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2932 L2935 M3036 L3073 I3074 S3075 Y3079 V3080 A3081 L3132 | L2932-A3077 HydrophobicContact CD2-CB 3.36Å; L2935-A3077 HydrophobicContact CD1-CB 3.78Å; M3036-A3077 HydrophobicContact CE-CB 4.05Å; M3036-A3077 HydrophobicContact SD-CB 3.87Å; L3073-A3077 WeakPolarHBondContact O-CB 3.4Å; L3073-A3077 PolarHBondContact O-N 2.9Å; I3074-A3077 PolarHBondContact O-N 3.5Å; S3075-A3077 PolarHBondContact O-N 3.28Å; A3077-Y3079 VanDerWaalsContact C-N 3.3Å; A3077-Y3079 PolarHBondContact O-N 2.81Å; A3077-V3080 PolarHBondContact O-N 3.35Å; A3077-A3081 PolarHBondContact O-N 2.79Å; A3077-L3132 HydrophobicContact CB-CD1 4.17Å |
| 3078 | R | 88.2 | Confident | 83.4 | Confident | 104 Ų | 104 | 28.7 Ų | 28.7 | 39% | 0.392 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -59.3 | -41 | 173.2 | -72.4 | 178.9 | -166.5 | -84 | 0.2 | 111.3 | L2935 I3074 S3075 A3081 V3082 | L2935-R3078 HydrophobicContact CD1-CG 3.72Å; L2935-R3078 HydrophobicContact CD2-CG 3.93Å; L2935-R3078 HydrophobicContact CG-CG 4.47Å; I3074-R3078 HydrophobicContact CG2-CG 4.38Å; I3074-R3078 VanDerWaalsContact CG2-NE 3.29Å; I3074-R3078 WeakPolarHBondContact O-CG 3.41Å; I3074-R3078 PolarHBondContact O-N 3.04Å; S3075-R3078 PolarHBondContact O-N 3.31Å; R3078-A3081 PolarHBondContact O-N 3.29Å; R3078-V3082 VanDerWaalsContact O-CG2 3.31Å; R3078-V3082 WeakPolarHBondContact O-CG2 3.3Å; R3078-V3082 PolarHBondContact O-N 3.09Å |
| 3079 | Y | 87.2 | Confident | 84.2 | Confident | 62 Ų | 62 | 26.1 Ų | 26.1 | 24% | 0.243 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 177.3 | -56.7 | -27 | 0 | 0 | 0 | 112.5 | S3075 A3076 A3077 V3082 G3083 Y3128 M3209 | S3075-Y3079 WeakPolarHBondContact O-CD1 3.48Å; S3075-Y3079 WeakPolarHBondContact O-CD2 3.45Å; S3075-Y3079 PolarHBondContact O-N 3.48Å; A3076-Y3079 PolarHBondContact O-N 3.31Å; A3077-Y3079 VanDerWaalsContact C-N 3.3Å; A3077-Y3079 PolarHBondContact O-N 2.81Å; Y3079-V3082 PolarHBondContact O-N 3.45Å; Y3079-G3083 PolarHBondContact O-N 3.5Å; Y3079-Y3128 HydrophobicContact CD2-CD1 4.41Å; Y3079-Y3128 HydrophobicContact CG-CD1 4.32Å; Y3079-Y3128 HydrophobicContact CG-CE1 4.44Å; Y3079-Y3128 WeakPolarHBondContact O-CD2 3.43Å; Y3079-M3209 HydrophobicContact CD1-CE 3.56Å; Y3079-M3209 HydrophobicContact CD1-CG 4.29Å; Y3079-M3209 HydrophobicContact CD2-CE 4.43Å; Y3079-M3209 HydrophobicContact CE1-CE 3.32Å; Y3079-M3209 HydrophobicContact CE2-CE 4.23Å; Y3079-M3209 HydrophobicContact CG-CE 4.14Å |
| 3080 | V | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 172.4 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | I2939 T3032 L3035 M3036 A3076 A3077 G3083 A3084 Y3128 L3132 | I2939-V3080 HydrophobicContact CD1-CG1 4.41Å; T3032-V3080 HydrophobicContact CG2-CG1 4.26Å; L3035-V3080 HydrophobicContact CD2-CG1 4.36Å; L3035-V3080 HydrophobicContact CD2-CG2 4.46Å; M3036-V3080 HydrophobicContact CE-CB 4.36Å; M3036-V3080 HydrophobicContact CE-CG1 4.32Å; A3076-V3080 PolarHBondContact O-N 3.01Å; A3076-V3080 VanDerWaalsContact O-N 3.07Å; A3077-V3080 PolarHBondContact O-N 3.35Å; V3080-G3083 PolarHBondContact O-N 3.12Å; V3080-A3084 WeakPolarHBondContact O-CB 3.44Å; V3080-A3084 PolarHBondContact O-N 2.7Å; V3080-Y3128 WeakPolarHBondContact CG2-O 3.28Å; V3080-L3132 HydrophobicContact CB-CD2 4.48Å; V3080-L3132 HydrophobicContact CG2-CB 4.01Å; V3080-L3132 HydrophobicContact CG2-CD2 3.95Å |
| 3081 | A | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2935 I2939 A3077 R3078 A3084 N3085 | L2935-A3081 HydrophobicContact CB-CB 4.39Å; L2935-A3081 HydrophobicContact CD2-CB 3.86Å; I2939-A3081 HydrophobicContact CD1-CB 4.27Å; I2939-A3081 HydrophobicContact CG1-CB 4.15Å; A3077-A3081 PolarHBondContact O-N 2.79Å; R3078-A3081 PolarHBondContact O-N 3.29Å; A3081-A3084 PolarHBondContact O-N 2.72Å; A3081-N3085 PolarHBondContact O-N 2.99Å; A3081-N3085 PolarHBondContact O-ND2 2.75Å |
| 3082 | V | 86.5 | Confident | 85.1 | Confident | 16 Ų | 16 | 20.9 Ų | 20.9 | 10% | 0.097 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 174.5 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | R3078 Y3079 N3085 H3086 V3206 M3209 I3213 | R3078-V3082 VanDerWaalsContact O-CG2 3.31Å; R3078-V3082 WeakPolarHBondContact O-CG2 3.3Å; R3078-V3082 PolarHBondContact O-N 3.09Å; Y3079-V3082 PolarHBondContact O-N 3.45Å; V3082-N3085 PolarHBondContact O-N 2.84Å; V3082-H3086 WeakPolarHBondContact O-CB 3.33Å; V3082-H3086 PolarHBondContact O-N 3.17Å; V3082-V3206 HydrophobicContact CG2-CG1 4.17Å; V3082-V3206 HydrophobicContact CG2-CG2 4.35Å; V3082-M3209 HydrophobicContact CG1-CB 4.43Å; V3082-M3209 HydrophobicContact CG1-CG 4.31Å; V3082-I3213 HydrophobicContact CG1-CD1 3.85Å |
| 3083 | G | 85 | Confident | 84.9 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y3079 V3080 H3086 L3087 T3125 | Y3079-G3083 PolarHBondContact O-N 3.5Å; V3080-G3083 PolarHBondContact O-N 3.12Å; G3083-H3086 PolarHBondContact O-N 2.97Å; G3083-L3087 WeakPolarHBondContact O-CB 3.46Å; G3083-L3087 PolarHBondContact O-N 3.38Å; G3083-T3125 PolarHBondContact O-OG1 3.01Å; G3083-T3125 VanDerWaalsContact O-OG1 3.14Å |
| 3084 | A | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | I2939 V3080 A3081 L3087 V3088 | I2939-A3084 HydrophobicContact CG1-CB 4.28Å; V3080-A3084 WeakPolarHBondContact O-CB 3.44Å; V3080-A3084 PolarHBondContact O-N 2.7Å; A3081-A3084 PolarHBondContact O-N 2.72Å; A3084-L3087 PolarHBondContact O-N 3.39Å; A3084-V3088 WeakPolarHBondContact O-CG2 3.48Å; A3084-V3088 PolarHBondContact O-N 3.45Å |
| 3085 | N | 87.5 | Confident | 84.2 | Confident | 22 Ų | 22 | 20.2 Ų | 20.2 | 12% | 0.118 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.5 | -49.3 | 173.5 | -84.7 | -77.5 | 0 | 0 | 0 | 111.5 | S2942 R2945 A3081 V3082 L3087 V3088 E3089 | S2942-N3085 PolarHBondContact OG-OD1 3.39Å; R2945-N3085 PolarHBondContact NH1-OD1 2.94Å; R2945-N3085 PolarHBondContact NH2-OD1 3.09Å; A3081-N3085 PolarHBondContact O-N 2.99Å; A3081-N3085 PolarHBondContact O-ND2 2.75Å; V3082-N3085 PolarHBondContact O-N 2.84Å; N3085-L3087 VanDerWaalsContact C-N 3.31Å; N3085-L3087 PolarHBondContact O-N 3.17Å; N3085-V3088 PolarHBondContact O-N 2.94Å; N3085-V3088 VanDerWaalsContact O-N 3.11Å; N3085-E3089 WeakPolarHBondContact O-CG 3.48Å; N3085-E3089 PolarHBondContact O-N 2.89Å |
| 3086 | H | 85.7 | Confident | 83.6 | Confident | 11 Ų | 11 | 20.6 Ų | 20.6 | 5% | 0.051 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 179.2 | -177.2 | 65.8 | 0 | 0 | 0 | 112.1 | V3082 G3083 V3088 E3089 S3090 I3213 | V3082-H3086 WeakPolarHBondContact O-CB 3.33Å; V3082-H3086 PolarHBondContact O-N 3.17Å; G3083-H3086 PolarHBondContact O-N 2.97Å; H3086-V3088 VanDerWaalsContact C-N 3.32Å; H3086-V3088 PolarHBondContact O-N 3.4Å; H3086-E3089 IonicContact ND1-OE2 3.03Å; H3086-E3089 PolarHBondContact O-N 3.47Å; H3086-S3090 PolarHBondContact NE2-OG 3.16Å; H3086-S3090 WeakPolarHBondContact O-CB 3.21Å; H3086-S3090 PolarHBondContact O-N 3.09Å; H3086-S3090 PolarHBondContact O-OG 3.2Å; H3086-I3213 HydrophobicContact CB-CD1 4.31Å; H3086-I3213 WeakPolarHBondContact CD2-CG2 3.45Å |
| 3087 | L | 88.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | 172.3 | 177.3 | 74.4 | 0 | 0 | 0 | 112.5 | L3028 V3029 G3083 A3084 N3085 A3091 L3118 A3121 A3122 L3164 | L3028-L3087 HydrophobicContact CB-CD2 4.09Å; L3028-L3087 HydrophobicContact CD2-CD1 4Å; L3028-L3087 HydrophobicContact CD2-CD2 3.44Å; L3028-L3087 VanDerWaalsContact CD2-CD2 3.44Å; L3028-L3087 HydrophobicContact CD2-CG 4.39Å; L3028-L3087 HydrophobicContact CG-CD2 3.58Å; V3029-L3087 HydrophobicContact CG2-CD2 3.75Å; G3083-L3087 WeakPolarHBondContact O-CB 3.46Å; G3083-L3087 PolarHBondContact O-N 3.38Å; A3084-L3087 PolarHBondContact O-N 3.39Å; N3085-L3087 VanDerWaalsContact C-N 3.31Å; N3085-L3087 PolarHBondContact O-N 3.17Å; L3087-A3091 VanDerWaalsContact O-CB 3.24Å; L3087-A3091 WeakPolarHBondContact O-CB 3.45Å; L3087-A3091 PolarHBondContact O-N 3.02Å; L3087-L3118 HydrophobicContact CD1-CD1 3.8Å; L3087-A3121 HydrophobicContact CB-CB 4.29Å; L3087-A3121 HydrophobicContact CD1-CB 4.15Å; L3087-A3122 HydrophobicContact CD1-CB 4.11Å; L3087-L3164 HydrophobicContact CD1-CD2 3.77Å |
| 3088 | V | 87.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.9 | -38.3 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | R2945 I2946 V3029 A3084 N3085 H3086 A3091 Q3092 | R2945-V3088 HydrophobicContact CB-CG1 3.94Å; I2946-V3088 HydrophobicContact CB-CG1 4.31Å; I2946-V3088 HydrophobicContact CB-CG2 4.31Å; I2946-V3088 HydrophobicContact CD1-CG2 4.41Å; V3029-V3088 HydrophobicContact CG2-CG2 3.71Å; A3084-V3088 WeakPolarHBondContact O-CG2 3.48Å; A3084-V3088 PolarHBondContact O-N 3.45Å; N3085-V3088 PolarHBondContact O-N 2.94Å; N3085-V3088 VanDerWaalsContact O-N 3.11Å; H3086-V3088 VanDerWaalsContact C-N 3.32Å; H3086-V3088 PolarHBondContact O-N 3.4Å; V3088-A3091 PolarHBondContact O-N 3.33Å; V3088-Q3092 WeakPolarHBondContact O-CB 3.32Å; V3088-Q3092 PolarHBondContact O-N 3.31Å |
| 3089 | E | 82.6 | Confident | 80.1 | Confident | 56 Ų | 56 | 23.7 Ų | 23.7 | 26% | 0.262 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -66.7 | -47.3 | 175.5 | -67.3 | 163.8 | -178 | 0 | 0 | 112.2 | N3085 H3086 A3091 Q3092 A3093 R3210 | N3085-E3089 WeakPolarHBondContact O-CG 3.48Å; N3085-E3089 PolarHBondContact O-N 2.89Å; H3086-E3089 IonicContact ND1-OE2 3.03Å; H3086-E3089 PolarHBondContact O-N 3.47Å; E3089-A3091 VanDerWaalsContact C-N 3.28Å; E3089-A3091 PolarHBondContact O-N 2.88Å; E3089-Q3092 WeakPolarHBondContact O-CB 3.47Å; E3089-Q3092 PolarHBondContact O-N 3.47Å; E3089-Q3092 VanDerWaalsContact O-N 3.13Å; E3089-A3093 PolarHBondContact O-N 2.92Å; E3089-R3210 IonicContact OE1-CZ 3.63Å; E3089-R3210 IonicContact OE1-NH1 3.25Å; E3089-R3210 IonicContact OE1-NH2 3.52Å; E3089-R3210 PolarHBondContact OE1-NH2 2.81Å; E3089-R3210 IonicContact OE2-CZ 2.68Å; E3089-R3210 IonicContact OE2-NH1 3.69Å; E3089-R3210 PolarHBondContact OE2-NH1 2.86Å; E3089-R3210 IonicContact OE2-NH2 3.83Å; E3089-R3210 PolarHBondContact OE2-NH2 3.15Å; E3089-R3210 VanDerWaalsContact OE2-NH2 3.17Å |
| 3090 | S | 80 | Confident | 78.3 | Confident | 7 Ų | 7 | 24.3 Ų | 24.3 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -37.4 | 174 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | H3086 F3094 S3117 | H3086-S3090 PolarHBondContact NE2-OG 3.16Å; H3086-S3090 WeakPolarHBondContact O-CB 3.21Å; H3086-S3090 PolarHBondContact O-N 3.09Å; H3086-S3090 PolarHBondContact O-OG 3.2Å; S3090-F3094 VanDerWaalsContact O-CB 3.26Å; S3090-F3094 WeakPolarHBondContact O-CB 3.28Å; S3090-F3094 PolarHBondContact O-N 3.02Å; S3090-S3117 PolarHBondContact OG-OG 3.03Å |
| 3091 | A | 83.2 | Confident | 76.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.6 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2946 C3025 L3087 V3088 E3089 F3094 V3095 L3118 | I2946-A3091 HydrophobicContact CD1-CB 4.18Å; C3025-A3091 HydrophobicContact CB-CB 4.41Å; L3087-A3091 VanDerWaalsContact O-CB 3.24Å; L3087-A3091 WeakPolarHBondContact O-CB 3.45Å; L3087-A3091 PolarHBondContact O-N 3.02Å; V3088-A3091 PolarHBondContact O-N 3.33Å; E3089-A3091 VanDerWaalsContact C-N 3.28Å; E3089-A3091 PolarHBondContact O-N 2.88Å; A3091-F3094 PolarHBondContact O-N 2.93Å; A3091-V3095 WeakPolarHBondContact O-CB 3.41Å; A3091-V3095 VanDerWaalsContact O-CG2 3.26Å; A3091-V3095 WeakPolarHBondContact O-CG2 3.15Å; A3091-V3095 PolarHBondContact O-N 3.19Å; A3091-L3118 HydrophobicContact CB-CD1 3.98Å |
| 3092 | Q | 81.2 | Confident | 73.4 | Confident | 65 Ų | 65 | 30.7 Ų | 30.7 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 174.7 | -178 | 165.8 | -44.1 | 0 | 0 | 111.6 | L2949 V3088 E3089 T3096 | L2949-Q3092 HydrophobicContact CD1-CB 3.75Å; L2949-Q3092 HydrophobicContact CD1-CG 4.15Å; L2949-Q3092 HydrophobicContact CD2-CB 4.47Å; L2949-Q3092 HydrophobicContact CD2-CG 3.97Å; V3088-Q3092 WeakPolarHBondContact O-CB 3.32Å; V3088-Q3092 PolarHBondContact O-N 3.31Å; E3089-Q3092 WeakPolarHBondContact O-CB 3.47Å; E3089-Q3092 PolarHBondContact O-N 3.47Å; E3089-Q3092 VanDerWaalsContact O-N 3.13Å; Q3092-T3096 WeakPolarHBondContact O-CB 3.47Å; Q3092-T3096 PolarHBondContact O-N 2.81Å; Q3092-T3096 PolarHBondContact O-OG1 3.11Å |
| 3093 | A | 74.6 | Confident | 71.2 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | E3089 T3096 M3097 | E3089-A3093 PolarHBondContact O-N 2.92Å; A3093-T3096 PolarHBondContact O-N 3.05Å; A3093-M3097 VanDerWaalsContact O-CB 3.31Å; A3093-M3097 WeakPolarHBondContact O-CB 3.5Å; A3093-M3097 WeakPolarHBondContact O-CG 3.47Å; A3093-M3097 PolarHBondContact O-N 2.9Å |
| 3094 | F | 76.2 | Confident | 69 | Low | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -50.1 | 178.4 | -168.5 | -93.1 | 0 | 0 | 0 | 112.3 | M3018 L3021 S3090 A3091 H3098 P3115 L3118 I3171 | M3018-F3094 HydrophobicContact CE-CD1 3.62Å; M3018-F3094 HydrophobicContact CE-CE1 3.52Å; M3018-F3094 HydrophobicContact SD-CD1 4.07Å; M3018-F3094 HydrophobicContact SD-CE1 4.01Å; L3021-F3094 HydrophobicContact CD1-CD1 3.5Å; L3021-F3094 VanDerWaalsContact CD1-CD1 3.5Å; L3021-F3094 HydrophobicContact CD1-CE1 3.34Å; L3021-F3094 HydrophobicContact CD1-CZ 4.26Å; L3021-F3094 HydrophobicContact CD2-CD1 4.42Å; S3090-F3094 VanDerWaalsContact O-CB 3.26Å; S3090-F3094 WeakPolarHBondContact O-CB 3.28Å; S3090-F3094 PolarHBondContact O-N 3.02Å; A3091-F3094 PolarHBondContact O-N 2.93Å; F3094-H3098 AromaticContact CE1-CD2 3.71Å; F3094-H3098 AromaticContact CE1-NE2 3.77Å; F3094-H3098 AromaticContact CE2-NE2 3.73Å; F3094-H3098 AromaticContact CZ-CD2 3.73Å; F3094-H3098 AromaticContact CZ-NE2 3.34Å; F3094-H3098 VanDerWaalsContact CZ-NE2 3.34Å; F3094-H3098 WeakPolarHBondContact CZ-NE2 3.31Å; F3094-H3098 PolarHBondContact O-CD2 2.77Å; F3094-H3098 PolarHBondContact O-N 3.26Å; F3094-P3115 HydrophobicContact CE2-CB 4.27Å; F3094-L3118 HydrophobicContact CB-CD2 4.48Å; F3094-L3118 HydrophobicContact CG-CD2 4.37Å; F3094-I3171 HydrophobicContact CZ-CG2 4.42Å |
| 3095 | V | 74.5 | Confident | 66.4 | Low | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.1 | 173 | 0 | 0 | 0 | 0 | 110.7 | M3018 L3021 I3022 A3091 M3097 H3098 V3099 | M3018-V3095 HydrophobicContact SD-CG2 4.01Å; L3021-V3095 HydrophobicContact CD2-CG2 4.36Å; I3022-V3095 HydrophobicContact CD1-CG1 4.38Å; I3022-V3095 HydrophobicContact CD1-CG2 3.93Å; I3022-V3095 HydrophobicContact CG1-CG2 3.8Å; A3091-V3095 WeakPolarHBondContact O-CB 3.41Å; A3091-V3095 VanDerWaalsContact O-CG2 3.26Å; A3091-V3095 WeakPolarHBondContact O-CG2 3.15Å; A3091-V3095 PolarHBondContact O-N 3.19Å; V3095-M3097 PolarHBondContact O-N 3.45Å; V3095-H3098 PolarHBondContact O-N 3.19Å; V3095-V3099 HydrophobicContact CG1-CG2 3.87Å; V3095-V3099 WeakPolarHBondContact O-CB 3.47Å; V3095-V3099 WeakPolarHBondContact O-CG2 3.36Å; V3095-V3099 PolarHBondContact O-N 2.87Å |
| 3096 | T | 69.8 | Low | 64.2 | Low | 48 Ų | 48 | 47.4 Ų | 47.4 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | -178.2 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | Q3092 A3093 H3098 V3099 S3100 | Q3092-T3096 WeakPolarHBondContact O-CB 3.47Å; Q3092-T3096 PolarHBondContact O-N 2.81Å; Q3092-T3096 PolarHBondContact O-OG1 3.11Å; A3093-T3096 PolarHBondContact O-N 3.05Å; T3096-H3098 PolarHBondContact O-N 2.69Å; T3096-V3099 PolarHBondContact O-N 3.1Å; T3096-S3100 WeakPolarHBondContact O-CB 3.46Å; T3096-S3100 PolarHBondContact O-N 3.28Å; T3096-S3100 PolarHBondContact O-OG 3.21Å |
| 3097 | M | 63.1 | Low | 61.9 | Low | 60 Ų | 60 | 52.4 Ų | 52.4 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | -179.6 | -69.4 | -93.6 | 38.6 | 0 | 0 | 112.4 | A2289 A3093 V3095 L3113 | A2289-M3097 HydrophobicContact CB-SD 4.05Å; A3093-M3097 VanDerWaalsContact O-CB 3.31Å; A3093-M3097 WeakPolarHBondContact O-CB 3.5Å; A3093-M3097 WeakPolarHBondContact O-CG 3.47Å; A3093-M3097 PolarHBondContact O-N 2.9Å; V3095-M3097 PolarHBondContact O-N 3.45Å; M3097-L3113 HydrophobicContact CE-CD1 4.09Å; M3097-L3113 HydrophobicContact CG-CD1 4.47Å; M3097-L3113 HydrophobicContact CG-CD2 4.23Å; M3097-L3113 HydrophobicContact SD-CD1 3.53Å; M3097-L3113 VanDerWaalsContact SD-CD1 3.53Å; M3097-L3113 HydrophobicContact SD-CD2 3.54Å; M3097-L3113 VanDerWaalsContact SD-CD2 3.54Å; M3097-L3113 HydrophobicContact SD-CG 4.05Å |
| 3098 | H | 63.2 | Low | 59.2 | Low | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -78.3 | -36.3 | 174.2 | -85.5 | -86.8 | 0 | 0 | 0 | 113.4 | M3018 F3094 V3095 T3096 | M3018-H3098 HydrophobicContact CE-CB 3.19Å; M3018-H3098 VanDerWaalsContact CE-CD2 3.43Å; M3018-H3098 WeakPolarHBondContact CE-CD2 3.46Å; F3094-H3098 AromaticContact CE1-CD2 3.71Å; F3094-H3098 AromaticContact CE1-NE2 3.77Å; F3094-H3098 AromaticContact CE2-NE2 3.73Å; F3094-H3098 AromaticContact CZ-CD2 3.73Å; F3094-H3098 AromaticContact CZ-NE2 3.34Å; F3094-H3098 VanDerWaalsContact CZ-NE2 3.34Å; F3094-H3098 WeakPolarHBondContact CZ-NE2 3.31Å; F3094-H3098 PolarHBondContact O-CD2 2.77Å; F3094-H3098 PolarHBondContact O-N 3.26Å; V3095-H3098 PolarHBondContact O-N 3.19Å; T3096-H3098 PolarHBondContact O-N 2.69Å |
| 3099 | V | 57.8 | Low | 56.6 | Low | 36 Ų | 36 | 58.5 Ų | 58.5 | 22% | 0.218 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -82.3 | -16.5 | -176.5 | 173.9 | 0 | 0 | 0 | 0 | 113.1 | K2956 V3095 T3096 G3101 | K2956-V3099 HydrophobicContact CD-CG1 3.71Å; K2956-V3099 PolarHBondContact NZ-O 3.48Å; V3095-V3099 HydrophobicContact CG1-CG2 3.87Å; V3095-V3099 WeakPolarHBondContact O-CB 3.47Å; V3095-V3099 WeakPolarHBondContact O-CG2 3.36Å; V3095-V3099 PolarHBondContact O-N 2.87Å; T3096-V3099 PolarHBondContact O-N 3.1Å; V3099-G3101 PolarHBondContact O-N 3.04Å |
| 3100 | S | 50.2 | Low | 54.6 | Low | 75 Ų | 75 | 61.2 Ų | 61.2 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -4.8 | 176.6 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | T3096 S3102 | T3096-S3100 WeakPolarHBondContact O-CB 3.46Å; T3096-S3100 PolarHBondContact O-N 3.28Å; T3096-S3100 PolarHBondContact O-OG 3.21Å; S3100-S3102 VanDerWaalsContact C-N 3.32Å; S3100-S3102 PolarHBondContact O-N 3.13Å |
| 3101 | G | 43.3 | Very low | 52.8 | Low | 55 Ų | 55 | 62.9 Ų | 62.9 | 57% | 0.567 | 39% | 0.388 | S | S | * | . | trans | 53.7 | 37.5 | 136 | 0 | 0 | 0 | 0 | 0 | 117.5 | V3099 S3103 | V3099-G3101 PolarHBondContact O-N 3.04Å; G3101-S3103 PolarHBondContact O-N 3.05Å | ||
| 3102 | S | 32.2 | Very low | 51.1 | Low | 78 Ų | 78 | 67 Ų | 67 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | trans | -68 | 81.3 | 158.6 | 48.1 | 0 | 0 | 0 | 0 | 108.1 | S3100 Q3104 L3105 | S3100-S3102 VanDerWaalsContact C-N 3.32Å; S3100-S3102 PolarHBondContact O-N 3.13Å; S3102-Q3104 PolarHBondContact O-N 3.11Å; S3102-L3105 PolarHBondContact O-N 2.67Å; S3102-L3105 VanDerWaalsContact O-N 3.13Å | ||
| 3103 | S | 40.5 | Very low | 49.7 | Very low | 100 Ų | 100 | 65.9 Ų | 65.9 | 70% | 0.699 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 17.5 | -176.8 | -169.1 | 0 | 0 | 0 | 0 | 114.6 | G3101 | G3101-S3103 PolarHBondContact O-N 3.05Š|
| 3104 | Q | 37 | Very low | 48.8 | Very low | 92 Ų | 92 | 67.4 Ų | 67.4 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -3.6 | 178.9 | -56.5 | -164.3 | -78.8 | 0 | 0 | 113.2 | S3102 T3184 | S3102-Q3104 PolarHBondContact O-N 3.11Å; Q3104-T3184 VanDerWaalsContact NE2-CA 3.32Å; Q3104-T3184 PolarHBondContact NE2-O 3.24Å |
| 3105 | L | 35.4 | Very low | 48.5 | Very low | 86 Ų | 86 | 67.2 Ų | 67.2 | 45% | 0.45 | 41% | 0.414 | S | S | . | . | trans | -105.1 | 15.8 | -178.2 | -67.1 | 179.3 | 0 | 0 | 0 | 114.7 | S3102 D3107 A3108 | S3102-L3105 PolarHBondContact O-N 2.67Å; S3102-L3105 VanDerWaalsContact O-N 3.13Å; L3105-D3107 VanDerWaalsContact C-N 3.25Å; L3105-D3107 PolarHBondContact O-N 3.37Å; L3105-A3108 PolarHBondContact O-N 3.49Å | ||
| 3106 | I | 41.2 | Very low | 48.3 | Very low | 111 Ų | 111 | 67 Ų | 67 | 57% | 0.569 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -21.2 | -178.5 | -62.7 | 176 | 0 | 0 | 0 | 112.5 | A3108 P3177 | I3106-A3108 VanDerWaalsContact C-N 3.31Å; I3106-A3108 PolarHBondContact O-N 3.24Å; I3106-P3177 HydrophobicContact CG2-CB 4.18Å; I3106-P3177 HydrophobicContact CG2-CG 4.04Å |
| 3107 | D | 36.4 | Very low | 48.6 | Very low | 116 Ų | 116 | 65 Ų | 65 | 62% | 0.62 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2.9 | 177.3 | -83.4 | -31.6 | 0 | 0 | 0 | 114.4 | L3105 | L3105-D3107 VanDerWaalsContact C-N 3.25Å; L3105-D3107 PolarHBondContact O-N 3.37Å |
| 3108 | A | 33.1 | Very low | 49.6 | Very low | 54 Ų | 54 | 62.2 Ų | 62.2 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | trans | -103.1 | 34.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L3105 I3106 D3110 | L3105-A3108 PolarHBondContact O-N 3.49Å; I3106-A3108 VanDerWaalsContact C-N 3.31Å; I3106-A3108 PolarHBondContact O-N 3.24Å; A3108-D3110 PolarHBondContact O-N 3.45Å | ||
| 3109 | G | 33.3 | Very low | 50.6 | Low | 75 Ų | 75 | 58.5 Ų | 58.5 | 77% | 0.773 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -58.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 3110 | D | 39.8 | Very low | 51.8 | Low | 114 Ų | 114 | 57 Ų | 57 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.8 | 6.1 | -154.2 | -118.4 | -31.7 | 0 | 0 | 0 | 118.3 | A3108 K3228 | A3108-D3110 PolarHBondContact O-N 3.45Å; D3110-K3228 IonicContact OD1-NZ 3.45Å; D3110-K3228 PolarHBondContact OD1-NZ 2.85Å; D3110-K3228 IonicContact OD2-NZ 2.72Å |
| 3111 | L | 43.6 | Very low | 53.4 | Low | 42 Ų | 42 | 53.5 Ų | 53.5 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | trans | -132.1 | 50.1 | -178.4 | -150.5 | 94.1 | 0 | 0 | 0 | 115.8 | V2361 N2362 L3113 | V2361-L3111 HydrophobicContact CB-CD2 3.88Å; V2361-L3111 HydrophobicContact CG1-CD2 3.6Å; N2362-L3111 WeakPolarHBondContact OD1-CB 3.36Å; N2362-L3111 WeakPolarHBondContact OD1-CD2 3.27Å; L3111-L3113 PolarHBondContact O-N 3.25Å | ||
| 3112 | T | 47.3 | Very low | 55.6 | Low | 86 Ų | 86 | 50.9 Ų | 50.9 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -68.8 | 122.4 | 154.5 | 51.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 3113 | L | 51.1 | Low | 58.2 | Low | 42 Ų | 42 | 50.6 Ų | 50.6 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 142.6 | -178.2 | -85.3 | 83.8 | 0 | 0 | 0 | 111.9 | T2285 E2286 M3097 L3111 | T2285-L3113 HydrophobicContact CG2-CD2 4.02Å; E2286-L3113 HydrophobicContact CG-CD2 4.07Å; M3097-L3113 HydrophobicContact CE-CD1 4.09Å; M3097-L3113 HydrophobicContact CG-CD1 4.47Å; M3097-L3113 HydrophobicContact CG-CD2 4.23Å; M3097-L3113 HydrophobicContact SD-CD1 3.53Å; M3097-L3113 VanDerWaalsContact SD-CD1 3.53Å; M3097-L3113 HydrophobicContact SD-CD2 3.54Å; M3097-L3113 VanDerWaalsContact SD-CD2 3.54Å; M3097-L3113 HydrophobicContact SD-CG 4.05Å; L3111-L3113 PolarHBondContact O-N 3.25Å |
| 3114 | K | 56.5 | Low | 60.3 | Low | 43 Ų | 43 | 46.2 Ų | 46.2 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 128.8 | -151.7 | -67.7 | 178.1 | 176.6 | -177.2 | 0 | 111.1 | I2282 E3116 S3117 A3221 E3225 | I2282-K3114 HydrophobicContact CD1-CD 4.24Å; K3114-E3116 PolarHBondContact O-N 3.1Å; K3114-S3117 PolarHBondContact O-N 2.86Å; K3114-A3221 HydrophobicContact CB-CB 3.97Å; K3114-A3221 HydrophobicContact CD-CB 3.32Å; K3114-A3221 WeakPolarHBondContact CD-O 3.42Å; K3114-A3221 HydrophobicContact CG-CB 4.28Å; K3114-A3221 PolarHBondContact NZ-O 3.37Å; K3114-A3221 VanDerWaalsContact NZ-O 3.11Å; K3114-E3225 IonicContact NZ-OE2 3.13Å; K3114-E3225 PolarHBondContact NZ-OE2 3.13Å |
| 3115 | P | 69.2 | Low | 62.8 | Low | 12 Ų | 12 | 41.9 Ų | 41.9 | 8% | 0.078 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -10 | 174.9 | 26.9 | -40.7 | 0 | 0 | 0 | 115.2 | F3094 I3119 V3168 V3172 | F3094-P3115 HydrophobicContact CE2-CB 4.27Å; P3115-I3119 WeakPolarHBondContact O-CG1 3.44Å; P3115-I3119 PolarHBondContact O-N 3.15Å; P3115-V3168 HydrophobicContact CB-CG1 3.36Å; P3115-V3172 HydrophobicContact CB-CG2 3.42Å; P3115-V3172 VanDerWaalsContact CB-CG2 3.42Å; P3115-V3172 HydrophobicContact CG-CB 4.38Å; P3115-V3172 HydrophobicContact CG-CG1 4.15Å; P3115-V3172 HydrophobicContact CG-CG2 3.42Å; P3115-V3172 VanDerWaalsContact CG-CG2 3.42Å |
| 3116 | E | 69.6 | Low | 65.3 | Low | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -76.3 | -22.9 | -172.6 | -70.5 | -77.2 | -142.3 | 0 | 0 | 113.5 | R2394 K3114 I3119 S3120 A3220 A3221 R3224 | R2394-E3116 IonicContact NH1-OE1 3.15Å; K3114-E3116 PolarHBondContact O-N 3.1Å; E3116-I3119 PolarHBondContact O-N 2.87Å; E3116-I3119 WeakPolarHBondContact OE2-CG2 3.44Å; E3116-S3120 WeakPolarHBondContact O-CB 3.38Å; E3116-S3120 PolarHBondContact O-N 2.9Å; E3116-A3220 VanDerWaalsContact CB-C 3.47Å; E3116-A3220 HydrophobicContact CB-CB 3.79Å; E3116-A3220 VanDerWaalsContact CG-C 3.49Å; E3116-A3220 HydrophobicContact CG-CB 4.26Å; E3116-A3220 VanDerWaalsContact CG-O 3.28Å; E3116-A3220 WeakPolarHBondContact CG-O 3.45Å; E3116-A3220 VanDerWaalsContact OE1-O 3.05Å; E3116-A3221 VanDerWaalsContact CB-CA 3.48Å; E3116-A3221 HydrophobicContact CB-CB 4Å; E3116-A3221 VanDerWaalsContact CB-N 3.26Å; E3116-R3224 HydrophobicContact CG-CB 4.19Å; E3116-R3224 WeakPolarHBondContact OE1-CB 3.29Å; E3116-R3224 WeakPolarHBondContact OE1-CG 3.4Å; E3116-R3224 IonicContact OE1-CZ 3.39Å; E3116-R3224 IonicContact OE1-NE 3.93Å; E3116-R3224 PolarHBondContact OE1-NE 2.95Å; E3116-R3224 IonicContact OE1-NH1 2.55Å; E3116-R3224 PolarHBondContact OE1-NH1 3.47Å; E3116-R3224 IonicContact OE1-NH2 3.08Å; E3116-R3224 PolarHBondContact OE1-NH2 3Å; E3116-R3224 IonicContact OE2-CZ 3.86Å; E3116-R3224 IonicContact OE2-NH1 3.08Å; E3116-R3224 PolarHBondContact OE2-NH1 3.24Å; E3116-R3224 IonicContact OE2-NH2 3.41Å; E3116-R3224 PolarHBondContact OE2-NH2 2.94Å |
| 3117 | S | 76.6 | Confident | 67.2 | Low | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -51.7 | 171.4 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | E2286 S3090 K3114 I3119 S3120 A3121 S3217 | E2286-S3117 PolarHBondContact OE2-OG 2.9Å; S3090-S3117 PolarHBondContact OG-OG 3.03Å; K3114-S3117 PolarHBondContact O-N 2.86Å; S3117-I3119 PolarHBondContact O-N 3.21Å; S3117-S3120 PolarHBondContact O-N 2.88Å; S3117-A3121 WeakPolarHBondContact O-CB 3.49Å; S3117-A3121 PolarHBondContact O-N 3.41Å; S3117-S3217 WeakPolarHBondContact CA-OG 3.31Å; S3117-S3217 VanDerWaalsContact CB-OG 3.23Å; S3117-S3217 WeakPolarHBondContact CB-OG 3.4Å; S3117-S3217 PolarHBondContact OG-OG 2.98Å |
| 3118 | L | 84.1 | Confident | 69.7 | Low | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 176.4 | -175.1 | 56.5 | 0 | 0 | 0 | 113.5 | L3021 L3087 A3091 F3094 A3122 L3164 V3168 | L3021-L3118 HydrophobicContact CD1-CD2 3.81Å; L3021-L3118 HydrophobicContact CD2-CD2 3.99Å; L3021-L3118 HydrophobicContact CG-CD2 4.06Å; L3087-L3118 HydrophobicContact CD1-CD1 3.8Å; A3091-L3118 HydrophobicContact CB-CD1 3.98Å; F3094-L3118 HydrophobicContact CB-CD2 4.48Å; F3094-L3118 HydrophobicContact CG-CD2 4.37Å; L3118-A3122 WeakPolarHBondContact O-CB 3.39Å; L3118-A3122 PolarHBondContact O-N 2.98Å; L3118-L3164 HydrophobicContact CD1-CD2 4.28Å; L3118-L3164 HydrophobicContact CD2-CD1 4.47Å; L3118-L3164 HydrophobicContact CG-CD2 4.48Å; L3118-V3168 HydrophobicContact CD2-CG2 3.63Å; L3118-V3168 HydrophobicContact CG-CG2 4.13Å |
| 3119 | I | 84.5 | Confident | 72.4 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.3 | -42.1 | 177.9 | -77.1 | 167.7 | 0 | 0 | 0 | 111.8 | P3115 E3116 S3117 A3122 Q3123 V3165 V3168 Q3169 R3224 | P3115-I3119 WeakPolarHBondContact O-CG1 3.44Å; P3115-I3119 PolarHBondContact O-N 3.15Å; E3116-I3119 PolarHBondContact O-N 2.87Å; E3116-I3119 WeakPolarHBondContact OE2-CG2 3.44Å; S3117-I3119 PolarHBondContact O-N 3.21Å; I3119-A3122 PolarHBondContact O-N 2.76Å; I3119-Q3123 WeakPolarHBondContact O-CB 3.49Å; I3119-Q3123 WeakPolarHBondContact O-CG 3.46Å; I3119-Q3123 PolarHBondContact O-N 2.93Å; I3119-V3165 HydrophobicContact CB-CG2 4.37Å; I3119-V3165 HydrophobicContact CD1-CG1 4.27Å; I3119-V3165 HydrophobicContact CG1-CB 4.35Å; I3119-V3165 HydrophobicContact CG1-CG1 4.17Å; I3119-V3165 HydrophobicContact CG1-CG2 4.12Å; I3119-V3165 HydrophobicContact CG2-CG1 4.06Å; I3119-V3165 HydrophobicContact CG2-CG2 4.01Å; I3119-V3168 HydrophobicContact CD1-CB 3.95Å; I3119-V3168 HydrophobicContact CD1-CG1 3.59Å; I3119-V3168 HydrophobicContact CG1-CB 4.05Å; I3119-V3168 HydrophobicContact CG1-CG1 3.88Å; I3119-Q3169 HydrophobicContact CD1-CG 4.03Å; I3119-R3224 VanDerWaalsContact CD1-NH1 3.28Å |
| 3120 | S | 82.6 | Confident | 74.8 | Confident | 5 Ų | 5 | 22 Ų | 22 | 4% | 0.035 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | E3116 S3117 A3122 Q3123 T3124 K3216 S3217 | E3116-S3120 WeakPolarHBondContact O-CB 3.38Å; E3116-S3120 PolarHBondContact O-N 2.9Å; S3117-S3120 PolarHBondContact O-N 2.88Å; S3120-A3122 VanDerWaalsContact C-N 3.33Å; S3120-A3122 PolarHBondContact O-N 3.37Å; S3120-Q3123 PolarHBondContact O-N 3.06Å; S3120-T3124 WeakPolarHBondContact O-CB 3.4Å; S3120-T3124 PolarHBondContact O-N 3.46Å; S3120-T3124 PolarHBondContact O-OG1 2.65Å; S3120-K3216 VanDerWaalsContact OG-CB 3.31Å; S3120-K3216 WeakPolarHBondContact OG-CB 3.44Å; S3120-K3216 PolarHBondContact OG-O 3.12Å; S3120-S3217 VanDerWaalsContact CB-CA 3.43Å; S3120-S3217 PolarHBondContact OG-N 2.86Å; S3120-S3217 VanDerWaalsContact OG-N 3.09Å |
| 3121 | A | 85.2 | Confident | 77 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L3087 S3117 T3125 | L3087-A3121 HydrophobicContact CB-CB 4.29Å; L3087-A3121 HydrophobicContact CD1-CB 4.15Å; S3117-A3121 WeakPolarHBondContact O-CB 3.49Å; S3117-A3121 PolarHBondContact O-N 3.41Å; A3121-T3125 VanDerWaalsContact O-CB 3.3Å; A3121-T3125 WeakPolarHBondContact O-CB 3.21Å; A3121-T3125 PolarHBondContact O-N 3.46Å; A3121-T3125 PolarHBondContact O-OG1 3.19Å |
| 3122 | A | 88.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.1 | -50.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L3028 L3087 L3118 I3119 S3120 T3124 T3125 A3126 A3161 L3164 V3165 | L3028-A3122 HydrophobicContact CD2-CB 3.92Å; L3087-A3122 HydrophobicContact CD1-CB 4.11Å; L3118-A3122 WeakPolarHBondContact O-CB 3.39Å; L3118-A3122 PolarHBondContact O-N 2.98Å; I3119-A3122 PolarHBondContact O-N 2.76Å; S3120-A3122 VanDerWaalsContact C-N 3.33Å; S3120-A3122 PolarHBondContact O-N 3.37Å; A3122-T3124 VanDerWaalsContact C-N 3.31Å; A3122-T3124 PolarHBondContact O-N 3.21Å; A3122-T3125 PolarHBondContact O-N 2.87Å; A3122-A3126 PolarHBondContact O-N 3.01Å; A3122-A3126 VanDerWaalsContact O-N 3.07Å; A3122-A3161 HydrophobicContact CB-CB 4.34Å; A3122-L3164 HydrophobicContact CB-CD2 3.91Å; A3122-V3165 HydrophobicContact CB-CG2 4.23Å |
| 3123 | Q | 86.8 | Confident | 81 | Confident | 71 Ų | 71 | 13.9 Ų | 13.9 | 33% | 0.332 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -60.5 | -41 | 177.8 | -72.5 | -176.1 | -40.9 | 0 | 0 | 111.7 | I3119 S3120 A3126 G3127 V3165 | I3119-Q3123 WeakPolarHBondContact O-CB 3.49Å; I3119-Q3123 WeakPolarHBondContact O-CG 3.46Å; I3119-Q3123 PolarHBondContact O-N 2.93Å; S3120-Q3123 PolarHBondContact O-N 3.06Å; Q3123-A3126 PolarHBondContact O-N 3.3Å; Q3123-G3127 PolarHBondContact O-N 2.89Å; Q3123-V3165 HydrophobicContact CG-CG2 4.32Å |
| 3124 | T | 85.2 | Confident | 82.5 | Confident | 9 Ų | 9 | 13.9 Ų | 13.9 | 6% | 0.055 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.4 | -38.8 | -178.5 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | S3120 A3122 A3126 G3127 Y3128 I3213 | S3120-T3124 WeakPolarHBondContact O-CB 3.4Å; S3120-T3124 PolarHBondContact O-N 3.46Å; S3120-T3124 PolarHBondContact O-OG1 2.65Å; A3122-T3124 VanDerWaalsContact C-N 3.31Å; A3122-T3124 PolarHBondContact O-N 3.21Å; T3124-A3126 VanDerWaalsContact C-N 3.31Å; T3124-A3126 PolarHBondContact O-N 3.05Å; T3124-G3127 PolarHBondContact O-N 2.93Å; T3124-Y3128 HydrophobicContact CG2-CD2 3.97Å; T3124-Y3128 HydrophobicContact CG2-CE1 4.3Å; T3124-Y3128 HydrophobicContact CG2-CE2 3.28Å; T3124-Y3128 VanDerWaalsContact CG2-CZ 3.44Å; T3124-Y3128 WeakPolarHBondContact CG2-OH 3.36Å; T3124-Y3128 WeakPolarHBondContact O-CD2 3.43Å; T3124-Y3128 PolarHBondContact O-N 2.88Å; T3124-I3213 HydrophobicContact CG2-CB 4.46Å; T3124-I3213 HydrophobicContact CG2-CG1 3.86Å; T3124-I3213 HydrophobicContact CG2-CG2 3.95Å |
| 3125 | T | 90 | Very high | 83.8 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 171.5 | -60 | 0 | 0 | 0 | 0 | 111.8 | T3032 G3083 A3121 A3122 T3129 | T3032-T3125 HydrophobicContact CG2-CG2 3.59Å; G3083-T3125 PolarHBondContact O-OG1 3.01Å; G3083-T3125 VanDerWaalsContact O-OG1 3.14Å; A3121-T3125 VanDerWaalsContact O-CB 3.3Å; A3121-T3125 WeakPolarHBondContact O-CB 3.21Å; A3121-T3125 PolarHBondContact O-N 3.46Å; A3121-T3125 PolarHBondContact O-OG1 3.19Å; A3122-T3125 PolarHBondContact O-N 2.87Å; T3125-T3129 WeakPolarHBondContact O-CB 3.3Å; T3125-T3129 PolarHBondContact O-N 3.44Å; T3125-T3129 PolarHBondContact O-OG1 3.44Å |
| 3126 | A | 87.1 | Confident | 84.5 | Confident | 5 Ų | 5 | 12.2 Ų | 12.2 | 4% | 0.041 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | F2405 A3122 Q3123 T3124 T3129 A3130 A3161 | F2405-A3126 HydrophobicContact CZ-CB 3.84Å; F2405-A3126 VanDerWaalsContact CZ-O 3.29Å; F2405-A3126 WeakPolarHBondContact CZ-O 3.3Å; A3122-A3126 PolarHBondContact O-N 3.01Å; A3122-A3126 VanDerWaalsContact O-N 3.07Å; Q3123-A3126 PolarHBondContact O-N 3.3Å; T3124-A3126 VanDerWaalsContact C-N 3.31Å; T3124-A3126 PolarHBondContact O-N 3.05Å; A3126-T3129 WeakPolarHBondContact O-CB 3.03Å; A3126-T3129 PolarHBondContact O-N 3.31Å; A3126-A3130 PolarHBondContact O-N 3.02Å; A3126-A3161 HydrophobicContact CB-CB 3.89Å |
| 3127 | G | 81.2 | Confident | 85.1 | Confident | 8 Ų | 8 | 13.6 Ų | 13.6 | 8% | 0.082 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q3123 T3124 T3129 A3130 Q3131 | Q3123-G3127 PolarHBondContact O-N 2.89Å; T3124-G3127 PolarHBondContact O-N 2.93Å; G3127-T3129 VanDerWaalsContact C-N 3.29Å; G3127-T3129 PolarHBondContact O-N 3.38Å; G3127-A3130 PolarHBondContact O-N 3.14Å; G3127-Q3131 PolarHBondContact O-N 2.91Å |
| 3128 | Y | 89.4 | Confident | 85.1 | Confident | 11 Ų | 11 | 16.5 Ų | 16.5 | 4% | 0.043 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.6 | -34.1 | 173.7 | -61.2 | -42.1 | 0 | 0 | 0 | 112.2 | Y3079 V3080 T3124 A3130 Q3131 L3132 M3209 I3213 | Y3079-Y3128 HydrophobicContact CD2-CD1 4.41Å; Y3079-Y3128 HydrophobicContact CG-CD1 4.32Å; Y3079-Y3128 HydrophobicContact CG-CE1 4.44Å; Y3079-Y3128 WeakPolarHBondContact O-CD2 3.43Å; V3080-Y3128 WeakPolarHBondContact CG2-O 3.28Å; T3124-Y3128 HydrophobicContact CG2-CD2 3.97Å; T3124-Y3128 HydrophobicContact CG2-CE1 4.3Å; T3124-Y3128 HydrophobicContact CG2-CE2 3.28Å; T3124-Y3128 VanDerWaalsContact CG2-CZ 3.44Å; T3124-Y3128 WeakPolarHBondContact CG2-OH 3.36Å; T3124-Y3128 WeakPolarHBondContact O-CD2 3.43Å; T3124-Y3128 PolarHBondContact O-N 2.88Å; Y3128-A3130 PolarHBondContact O-N 2.86Å; Y3128-Q3131 WeakPolarHBondContact O-CB 3.3Å; Y3128-Q3131 PolarHBondContact O-N 3.16Å; Y3128-Q3131 VanDerWaalsContact O-N 3.16Å; Y3128-L3132 PolarHBondContact O-N 3.4Å; Y3128-M3209 HydrophobicContact CE1-SD 4.26Å; Y3128-M3209 PolarHBondContact OH-SD 3.46Å; Y3128-I3213 HydrophobicContact CE2-CD1 3.99Å; Y3128-I3213 HydrophobicContact CE2-CG1 4.13Å; Y3128-I3213 WeakPolarHBondContact OH-CG1 3.37Å |
| 3129 | T | 89.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 172.8 | -70.7 | 0 | 0 | 0 | 0 | 111.5 | L3035 T3125 A3126 G3127 Q3131 L3132 V3133 V3157 | L3035-T3129 HydrophobicContact CD1-CG2 3.99Å; L3035-T3129 HydrophobicContact CD2-CG2 3.43Å; L3035-T3129 VanDerWaalsContact CD2-CG2 3.43Å; L3035-T3129 HydrophobicContact CG-CG2 4.33Å; T3125-T3129 WeakPolarHBondContact O-CB 3.3Å; T3125-T3129 PolarHBondContact O-N 3.44Å; T3125-T3129 PolarHBondContact O-OG1 3.44Å; A3126-T3129 WeakPolarHBondContact O-CB 3.03Å; A3126-T3129 PolarHBondContact O-N 3.31Å; G3127-T3129 VanDerWaalsContact C-N 3.29Å; G3127-T3129 PolarHBondContact O-N 3.38Å; T3129-Q3131 VanDerWaalsContact C-N 3.3Å; T3129-Q3131 PolarHBondContact O-N 3.3Å; T3129-L3132 PolarHBondContact O-N 3.47Å; T3129-V3133 VanDerWaalsContact O-CG2 3.29Å; T3129-V3133 WeakPolarHBondContact O-CG2 3.44Å; T3129-V3133 PolarHBondContact O-N 2.82Å; T3129-V3157 HydrophobicContact CG2-CB 3.89Å; T3129-V3157 HydrophobicContact CG2-CG1 3.85Å; T3129-V3157 HydrophobicContact CG2-CG2 4.2Å; T3129-V3157 WeakPolarHBondContact OG1-CG1 3.35Å |
| 3130 | A | 84 | Confident | 84.1 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.3 | -38.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2404 F2405 A3126 G3127 Y3128 V3133 I3134 | L2404-A3130 HydrophobicContact CB-CB 4.03Å; F2405-A3130 HydrophobicContact CD1-CB 3.78Å; F2405-A3130 HydrophobicContact CE1-CB 3.78Å; F2405-A3130 HydrophobicContact CG-CB 4.36Å; F2405-A3130 HydrophobicContact CZ-CB 4.36Å; A3126-A3130 PolarHBondContact O-N 3.02Å; G3127-A3130 PolarHBondContact O-N 3.14Å; Y3128-A3130 PolarHBondContact O-N 2.86Å; A3130-V3133 PolarHBondContact O-N 3.22Å; A3130-I3134 WeakPolarHBondContact O-CD1 3.45Å; A3130-I3134 VanDerWaalsContact O-CG1 3.28Å; A3130-I3134 WeakPolarHBondContact O-CG1 3.33Å; A3130-I3134 PolarHBondContact O-N 3.07Å |
| 3131 | Q | 84.8 | Confident | 83.6 | Confident | 71 Ų | 71 | 21.8 Ų | 21.8 | 33% | 0.332 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.4 | -66.5 | 177.9 | -2 | 0 | 0 | 112.3 | L2404 G3127 Y3128 T3129 I3134 A3135 | L2404-Q3131 HydrophobicContact CD1-CG 4.1Å; G3127-Q3131 PolarHBondContact O-N 2.91Å; Y3128-Q3131 WeakPolarHBondContact O-CB 3.3Å; Y3128-Q3131 PolarHBondContact O-N 3.16Å; Y3128-Q3131 VanDerWaalsContact O-N 3.16Å; T3129-Q3131 VanDerWaalsContact C-N 3.3Å; T3129-Q3131 PolarHBondContact O-N 3.3Å; Q3131-I3134 PolarHBondContact O-N 3.07Å; Q3131-A3135 WeakPolarHBondContact O-CB 3.32Å; Q3131-A3135 PolarHBondContact O-N 2.99Å |
| 3132 | L | 88.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 176 | 179.6 | 57.8 | 0 | 0 | 0 | 111.6 | L3035 M3036 A3039 L3073 A3076 A3077 V3080 Y3128 T3129 I3134 A3135 C3136 | L3035-L3132 HydrophobicContact CD2-CD2 3.87Å; L3035-L3132 HydrophobicContact CG-CD2 4.32Å; M3036-L3132 HydrophobicContact SD-CD2 4.36Å; A3039-L3132 HydrophobicContact CB-CD1 4.44Å; A3039-L3132 HydrophobicContact CB-CD2 4.3Å; A3039-L3132 HydrophobicContact CB-CG 4.46Å; L3073-L3132 HydrophobicContact CD1-CD1 3.6Å; A3076-L3132 HydrophobicContact CB-CB 4.18Å; A3076-L3132 HydrophobicContact CB-CD1 4.1Å; A3077-L3132 HydrophobicContact CB-CD1 4.17Å; V3080-L3132 HydrophobicContact CB-CD2 4.48Å; V3080-L3132 HydrophobicContact CG2-CB 4.01Å; V3080-L3132 HydrophobicContact CG2-CD2 3.95Å; Y3128-L3132 PolarHBondContact O-N 3.4Å; T3129-L3132 PolarHBondContact O-N 3.47Å; L3132-I3134 VanDerWaalsContact C-N 3.33Å; L3132-I3134 PolarHBondContact O-N 2.98Å; L3132-A3135 PolarHBondContact O-N 3.34Å; L3132-C3136 PolarHBondContact O-N 2.98Å; L3132-C3136 PolarHBondContact O-SG 3.49Å; L3132-C3136 VanDerWaalsContact O-SG 3.37Å |
| 3133 | V | 87.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | A2408 L3035 T3129 A3130 I3137 L3150 R3151 | A2408-V3133 HydrophobicContact CB-CB 4.33Å; A2408-V3133 HydrophobicContact CB-CG1 3.82Å; L3035-V3133 HydrophobicContact CD1-CG2 3.76Å; T3129-V3133 VanDerWaalsContact O-CG2 3.29Å; T3129-V3133 WeakPolarHBondContact O-CG2 3.44Å; T3129-V3133 PolarHBondContact O-N 2.82Å; A3130-V3133 PolarHBondContact O-N 3.22Å; V3133-I3137 HydrophobicContact CG1-CD1 3.54Å; V3133-I3137 HydrophobicContact CG1-CG1 4.46Å; V3133-I3137 WeakPolarHBondContact O-CB 3.38Å; V3133-I3137 WeakPolarHBondContact O-CD1 3.46Å; V3133-I3137 VanDerWaalsContact O-CG1 3.24Å; V3133-I3137 WeakPolarHBondContact O-CG1 3.38Å; V3133-I3137 PolarHBondContact O-N 2.91Å; V3133-L3150 HydrophobicContact CG2-CG 4.22Å; V3133-R3151 HydrophobicContact CG1-CG 4.34Å |
| 3134 | I | 82.6 | Confident | 81.9 | Confident | 42 Ų | 42 | 27.4 Ų | 27.4 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.5 | -67.8 | 163.3 | 0 | 0 | 0 | 111.3 | L2404 R2407 A2408 A3130 Q3131 L3132 C3136 I3137 A3138 | L2404-I3134 HydrophobicContact CB-CD1 4.06Å; L2404-I3134 HydrophobicContact CD2-CD1 3.53Å; L2404-I3134 HydrophobicContact CG-CD1 4.41Å; R2407-I3134 HydrophobicContact CB-CD1 4.26Å; A2408-I3134 HydrophobicContact CB-CG1 4.15Å; A3130-I3134 WeakPolarHBondContact O-CD1 3.45Å; A3130-I3134 VanDerWaalsContact O-CG1 3.28Å; A3130-I3134 WeakPolarHBondContact O-CG1 3.33Å; A3130-I3134 PolarHBondContact O-N 3.07Å; Q3131-I3134 PolarHBondContact O-N 3.07Å; L3132-I3134 VanDerWaalsContact C-N 3.33Å; L3132-I3134 PolarHBondContact O-N 2.98Å; I3134-C3136 PolarHBondContact O-N 2.92Å; I3134-I3137 PolarHBondContact O-N 3.32Å; I3134-A3138 WeakPolarHBondContact O-CB 3.49Å; I3134-A3138 PolarHBondContact O-N 3.34Å |
| 3135 | A | 82.9 | Confident | 81.7 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W3069 L3073 A3076 Q3131 L3132 | W3069-A3135 PolarHBondContact NE1-O 2.93Å; L3073-A3135 HydrophobicContact CD1-CB 4.25Å; A3076-A3135 HydrophobicContact CB-CB 4.3Å; Q3131-A3135 WeakPolarHBondContact O-CB 3.32Å; Q3131-A3135 PolarHBondContact O-N 2.99Å; L3132-A3135 PolarHBondContact O-N 3.34Å |
| 3136 | C | 83.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -49.9 | 174.2 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | L3073 L3132 I3134 A3138 K3139 A3140 L3150 | L3073-C3136 WeakPolarHBondContact CD1-SG 3.33Å; L3132-C3136 PolarHBondContact O-N 2.98Å; L3132-C3136 PolarHBondContact O-SG 3.49Å; L3132-C3136 VanDerWaalsContact O-SG 3.37Å; I3134-C3136 PolarHBondContact O-N 2.92Å; C3136-A3138 PolarHBondContact O-N 3.01Å; C3136-K3139 PolarHBondContact O-N 2.97Å; C3136-A3140 PolarHBondContact O-N 3.35Å; C3136-L3150 HydrophobicContact CB-CD2 3.32Å |
| 3137 | I | 82 | Confident | 81.1 | Confident | 31 Ų | 31 | 33.2 Ų | 33.2 | 16% | 0.159 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.7 | -27.2 | -175.8 | -67 | 168 | 0 | 0 | 0 | 111.7 | V3133 I3134 K3139 A3140 R3151 | V3133-I3137 HydrophobicContact CG1-CD1 3.54Å; V3133-I3137 HydrophobicContact CG1-CG1 4.46Å; V3133-I3137 WeakPolarHBondContact O-CB 3.38Å; V3133-I3137 WeakPolarHBondContact O-CD1 3.46Å; V3133-I3137 VanDerWaalsContact O-CG1 3.24Å; V3133-I3137 WeakPolarHBondContact O-CG1 3.38Å; V3133-I3137 PolarHBondContact O-N 2.91Å; I3134-I3137 PolarHBondContact O-N 3.32Å; I3137-K3139 PolarHBondContact O-N 3.38Å; I3137-A3140 PolarHBondContact O-N 2.74Å; I3137-R3151 HydrophobicContact CD1-CG 4.05Å |
| 3138 | A | 76.8 | Confident | 81.2 | Confident | 67 Ų | 67 | 36.1 Ų | 36.1 | 55% | 0.554 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -22.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | I3134 C3136 | I3134-A3138 WeakPolarHBondContact O-CB 3.49Å; I3134-A3138 PolarHBondContact O-N 3.34Å; C3136-A3138 PolarHBondContact O-N 3.01Å |
| 3139 | K | 74.5 | Confident | 80.9 | Confident | 44 Ų | 44 | 36 Ų | 36 | 19% | 0.191 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -23.6 | 170.7 | -73.8 | -164.1 | 178.7 | -173.2 | 0 | 114.6 | L3046 R3051 L3052 W3069 C3136 I3137 | L3046-K3139 HydrophobicContact CD1-CB 4.09Å; L3046-K3139 HydrophobicContact CD2-CB 4.15Å; L3046-K3139 WeakPolarHBondContact CD2-O 3.48Å; R3051-K3139 PolarHBondContact NH1-O 3.49Å; R3051-K3139 VanDerWaalsContact NH1-O 3.14Å; R3051-K3139 PolarHBondContact NH2-O 3.21Å; L3052-K3139 HydrophobicContact CD2-CD 4.31Å; W3069-K3139 HydrophobicContact CB-CD 4.49Å; W3069-K3139 HydrophobicContact CD2-CD 3.63Å; W3069-K3139 HydrophobicContact CD2-CG 4.07Å; W3069-K3139 HydrophobicContact CE3-CD 4Å; W3069-K3139 HydrophobicContact CG-CD 3.84Å; W3069-K3139 HydrophobicContact CG-CG 4.17Å; W3069-K3139 HydrophobicContact CZ2-CB 4Å; W3069-K3139 HydrophobicContact CZ2-CD 4.43Å; W3069-K3139 HydrophobicContact CZ2-CG 4.33Å; C3136-K3139 PolarHBondContact O-N 2.97Å; I3137-K3139 PolarHBondContact O-N 3.38Å |
| 3140 | A | 73.3 | Confident | 80.8 | Confident | 9 Ų | 9 | 36 Ų | 36 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -73.9 | 167.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L3046 C3136 I3137 C3147 | L3046-A3140 HydrophobicContact CD1-CB 4.24Å; L3046-A3140 HydrophobicContact CD2-CB 4.33Å; L3046-A3140 HydrophobicContact CG-CB 4.23Å; C3136-A3140 PolarHBondContact O-N 3.35Å; I3137-A3140 PolarHBondContact O-N 2.74Å; A3140-C3147 WeakPolarHBondContact CB-SG 3.37Å |
| 3141 | D | 72.5 | Confident | 80.8 | Confident | 67 Ų | 67 | 38.1 Ų | 38.1 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | trans | -76.4 | 121.8 | 166.5 | -175.4 | -30.7 | 0 | 0 | 0 | 108.2 | N3143 S3144 C3147 | D3141-N3143 PolarHBondContact O-N 3.34Å; D3141-N3143 VanDerWaalsContact O-N 3.07Å; D3141-N3143 WeakPolarHBondContact OD1-CB 3.43Å; D3141-N3143 PolarHBondContact OD1-N 2.93Å; D3141-S3144 WeakPolarHBondContact O-CB 3.18Å; D3141-S3144 PolarHBondContact O-N 2.78Å; D3141-C3147 WeakPolarHBondContact O-CB 3.35Å; D3141-C3147 PolarHBondContact O-SG 3.03Å | ||
| 3142 | P | 69.9 | Low | 80.8 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.5 | -179.3 | 26.7 | -36.1 | 0 | 0 | 0 | 114 | R3151 | P3142-R3151 PolarHBondContact O-NH1 3.37Š|
| 3143 | N | 74 | Confident | 80.7 | Confident | 123 Ų | 123 | 40 Ų | 40 | 66% | 0.658 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 3.5 | 177.4 | -61.4 | -47.9 | 0 | 0 | 0 | 113.5 | D3141 | D3141-N3143 PolarHBondContact O-N 3.34Å; D3141-N3143 VanDerWaalsContact O-N 3.07Å; D3141-N3143 WeakPolarHBondContact OD1-CB 3.43Å; D3141-N3143 PolarHBondContact OD1-N 2.93Å |
| 3144 | S | 79.8 | Confident | 80.6 | Confident | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -68.6 | 154.7 | -179.9 | 99.8 | 0 | 0 | 0 | 0 | 112.8 | E3045 D3141 S3146 C3147 L3148 | E3045-S3144 WeakPolarHBondContact OE1-CB 3.32Å; E3045-S3144 PolarHBondContact OE1-OG 3.02Å; E3045-S3144 VanDerWaalsContact OE2-CB 3.27Å; E3045-S3144 WeakPolarHBondContact OE2-CB 3.27Å; E3045-S3144 PolarHBondContact OE2-OG 3.16Å; D3141-S3144 WeakPolarHBondContact O-CB 3.18Å; D3141-S3144 PolarHBondContact O-N 2.78Å; S3144-S3146 VanDerWaalsContact C-N 3.28Å; S3144-S3146 PolarHBondContact O-N 2.9Å; S3144-S3146 PolarHBondContact OG-N 2.98Å; S3144-C3147 PolarHBondContact O-N 3.13Å; S3144-C3147 VanDerWaalsContact O-N 3.16Å; S3144-C3147 PolarHBondContact OG-N 3.46Å; S3144-C3147 VanDerWaalsContact OG-N 3.09Å; S3144-L3148 WeakPolarHBondContact O-CG 3.47Å; S3144-L3148 PolarHBondContact O-N 3.3Å |
| 3145 | Q | 80.7 | Confident | 80.6 | Confident | 136 Ų | 136 | 38.2 Ų | 38.2 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -58.5 | -42 | 176.3 | -70.1 | -62.8 | -36.5 | 0 | 0 | 111.4 | C3147 L3148 G3149 | Q3145-C3147 PolarHBondContact O-N 2.82Å; Q3145-L3148 PolarHBondContact O-N 3.49Å; Q3145-G3149 PolarHBondContact O-N 2.99Å |
| 3146 | S | 82.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -39.8 | 176.3 | -42.8 | 0 | 0 | 0 | 0 | 112.4 | A3042 E3045 S3144 L3150 | A3042-S3146 VanDerWaalsContact CA-CB 3.49Å; E3045-S3146 WeakPolarHBondContact OE2-CB 3.49Å; E3045-S3146 PolarHBondContact OE2-OG 3.12Å; S3144-S3146 VanDerWaalsContact C-N 3.28Å; S3144-S3146 PolarHBondContact O-N 2.9Å; S3144-S3146 PolarHBondContact OG-N 2.98Å; S3146-L3150 WeakPolarHBondContact O-CB 3.4Å; S3146-L3150 PolarHBondContact O-N 3.2Å |
| 3147 | C | 82.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.5 | -39 | 176.5 | -81.6 | 0 | 0 | 0 | 0 | 113.2 | A3140 D3141 S3144 Q3145 R3151 | A3140-C3147 WeakPolarHBondContact CB-SG 3.37Å; D3141-C3147 WeakPolarHBondContact O-CB 3.35Å; D3141-C3147 PolarHBondContact O-SG 3.03Å; S3144-C3147 PolarHBondContact O-N 3.13Å; S3144-C3147 VanDerWaalsContact O-N 3.16Å; S3144-C3147 PolarHBondContact OG-N 3.46Å; S3144-C3147 VanDerWaalsContact OG-N 3.09Å; Q3145-C3147 PolarHBondContact O-N 2.82Å; C3147-R3151 WeakPolarHBondContact O-CG 3.46Å; C3147-R3151 PolarHBondContact O-N 2.91Å |
| 3148 | L | 83.2 | Confident | 81.2 | Confident | 70 Ų | 70 | 40.2 Ų | 40.2 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.3 | -46.3 | 175.3 | -69.4 | 170.3 | 0 | 0 | 0 | 110.7 | S3144 Q3145 L3150 R3151 N3152 | S3144-L3148 WeakPolarHBondContact O-CG 3.47Å; S3144-L3148 PolarHBondContact O-N 3.3Å; Q3145-L3148 PolarHBondContact O-N 3.49Å; L3148-L3150 PolarHBondContact O-N 3.09Å; L3148-R3151 PolarHBondContact O-N 3.2Å; L3148-N3152 WeakPolarHBondContact O-CB 3.45Å; L3148-N3152 PolarHBondContact O-N 2.8Å; L3148-N3152 PolarHBondContact O-ND2 3.47Å |
| 3149 | G | 83.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q3145 R3151 N3152 A3153 | Q3145-G3149 PolarHBondContact O-N 2.99Å; G3149-R3151 PolarHBondContact O-N 2.89Å; G3149-N3152 PolarHBondContact O-N 2.87Å; G3149-A3153 WeakPolarHBondContact O-CB 3.32Å; G3149-A3153 PolarHBondContact O-N 3.1Å |
| 3150 | L | 87.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.1 | -176.2 | 69.8 | 0 | 0 | 0 | 112.8 | L3035 W3038 A3039 V3133 C3136 S3146 L3148 G3154 | L3035-L3150 HydrophobicContact CD1-CD1 3.66Å; L3035-L3150 HydrophobicContact CD1-CG 4.45Å; L3035-L3150 HydrophobicContact CG-CD1 4.16Å; W3038-L3150 HydrophobicContact CB-CB 4.01Å; W3038-L3150 HydrophobicContact CB-CD1 3.91Å; A3039-L3150 HydrophobicContact CB-CD1 4.08Å; V3133-L3150 HydrophobicContact CG2-CG 4.22Å; C3136-L3150 HydrophobicContact CB-CD2 3.32Å; S3146-L3150 WeakPolarHBondContact O-CB 3.4Å; S3146-L3150 PolarHBondContact O-N 3.2Å; L3148-L3150 PolarHBondContact O-N 3.09Å; L3150-G3154 PolarHBondContact O-N 3.16Å |
| 3151 | R | 84.7 | Confident | 83 | Confident | 47 Ų | 47 | 39.8 Ų | 39.8 | 18% | 0.177 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 174.2 | -76.6 | -170.8 | -178.4 | 118.9 | -3.6 | 112 | A2408 T2410 V3133 I3137 P3142 C3147 L3148 G3149 G3154 G3155 | A2408-R3151 WeakPolarHBondContact O-CD 3.39Å; A2408-R3151 PolarHBondContact O-NE 2.88Å; T2410-R3151 HydrophobicContact CG2-CB 4.2Å; T2410-R3151 HydrophobicContact CG2-CG 4.41Å; T2410-R3151 WeakPolarHBondContact CG2-O 3.44Å; V3133-R3151 HydrophobicContact CG1-CG 4.34Å; I3137-R3151 HydrophobicContact CD1-CG 4.05Å; P3142-R3151 PolarHBondContact O-NH1 3.37Å; C3147-R3151 WeakPolarHBondContact O-CG 3.46Å; C3147-R3151 PolarHBondContact O-N 2.91Å; L3148-R3151 PolarHBondContact O-N 3.2Å; G3149-R3151 PolarHBondContact O-N 2.89Å; R3151-G3154 PolarHBondContact O-N 3.43Å; R3151-G3155 PolarHBondContact O-N 3.31Å |
| 3152 | N | 84.4 | Confident | 83.5 | Confident | 108 Ų | 108 | 39.9 Ų | 39.9 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -64.4 | -41.9 | 177.3 | -70.2 | -17 | 0 | 0 | 0 | 111.6 | L3148 G3149 G3155 S3156 | L3148-N3152 WeakPolarHBondContact O-CB 3.45Å; L3148-N3152 PolarHBondContact O-N 2.8Å; L3148-N3152 PolarHBondContact O-ND2 3.47Å; G3149-N3152 PolarHBondContact O-N 2.87Å; N3152-G3155 PolarHBondContact O-N 3.14Å; N3152-S3156 WeakPolarHBondContact O-CB 3.44Å; N3152-S3156 PolarHBondContact O-N 3.48Å; N3152-S3156 PolarHBondContact O-OG 2.91Å |
| 3153 | A | 85.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L3035 G3149 G3155 S3156 V3157 | L3035-A3153 HydrophobicContact CB-CB 4.16Å; L3035-A3153 HydrophobicContact CD1-CB 4.1Å; G3149-A3153 WeakPolarHBondContact O-CB 3.32Å; G3149-A3153 PolarHBondContact O-N 3.1Å; A3153-G3155 PolarHBondContact O-N 3.04Å; A3153-S3156 WeakPolarHBondContact O-CB 3.48Å; A3153-S3156 PolarHBondContact O-N 3.05Å; A3153-S3156 VanDerWaalsContact O-N 3.14Å; A3153-V3157 WeakPolarHBondContact O-CG2 3.38Å; A3153-V3157 PolarHBondContact O-N 3.15Å |
| 3154 | G | 85.5 | Confident | 85 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | L3150 R3151 V3157 K3158 | L3150-G3154 PolarHBondContact O-N 3.16Å; R3151-G3154 PolarHBondContact O-N 3.43Å; G3154-V3157 PolarHBondContact O-N 3.29Å; G3154-K3158 PolarHBondContact O-N 3.29Å |
| 3155 | G | 84 | Confident | 85.3 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R3151 N3152 A3153 K3158 H3159 | R3151-G3155 PolarHBondContact O-N 3.31Å; N3152-G3155 PolarHBondContact O-N 3.14Å; A3153-G3155 PolarHBondContact O-N 3.04Å; G3155-K3158 PolarHBondContact O-N 2.96Å; G3155-H3159 PolarHBondContact O-N 2.96Å |
| 3156 | S | 85.6 | Confident | 85.4 | Confident | 62 Ų | 62 | 33.7 Ų | 33.7 | 43% | 0.434 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | N3152 A3153 H3159 A3160 | N3152-S3156 WeakPolarHBondContact O-CB 3.44Å; N3152-S3156 PolarHBondContact O-N 3.48Å; N3152-S3156 PolarHBondContact O-OG 2.91Å; A3153-S3156 WeakPolarHBondContact O-CB 3.48Å; A3153-S3156 PolarHBondContact O-N 3.05Å; A3153-S3156 VanDerWaalsContact O-N 3.14Å; S3156-H3159 PolarHBondContact O-N 3.25Å; S3156-A3160 VanDerWaalsContact O-CB 3.3Å; S3156-A3160 WeakPolarHBondContact O-CB 3.35Å; S3156-A3160 PolarHBondContact O-N 3.39Å |
| 3157 | V | 90.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 172 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L3028 A3031 T3032 L3035 T3129 A3153 G3154 A3160 A3161 | L3028-V3157 HydrophobicContact CD1-CG1 3.77Å; L3028-V3157 WeakPolarHBondContact CD1-O 3.42Å; A3031-V3157 HydrophobicContact CB-CB 4.39Å; A3031-V3157 HydrophobicContact CB-CG2 3.6Å; A3031-V3157 WeakPolarHBondContact O-CG2 3.34Å; T3032-V3157 HydrophobicContact CG2-CG1 3.87Å; T3032-V3157 HydrophobicContact CG2-CG2 3.82Å; L3035-V3157 HydrophobicContact CB-CG2 4.48Å; T3129-V3157 HydrophobicContact CG2-CB 3.89Å; T3129-V3157 HydrophobicContact CG2-CG1 3.85Å; T3129-V3157 HydrophobicContact CG2-CG2 4.2Å; T3129-V3157 WeakPolarHBondContact OG1-CG1 3.35Å; A3153-V3157 WeakPolarHBondContact O-CG2 3.38Å; A3153-V3157 PolarHBondContact O-N 3.15Å; G3154-V3157 PolarHBondContact O-N 3.29Å; V3157-A3160 PolarHBondContact O-N 3.18Å; V3157-A3161 WeakPolarHBondContact O-CB 3.45Å; V3157-A3161 PolarHBondContact O-N 3.48Å |
| 3158 | K | 86.1 | Confident | 85.3 | Confident | 32 Ų | 32 | 34 Ų | 34 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.5 | -50.5 | 177.1 | -179.3 | 177.1 | -179.4 | 171.9 | 0 | 111.5 | F2405 G3154 G3155 A3160 A3161 D3162 | F2405-K3158 HydrophobicContact CD1-CD 3.9Å; F2405-K3158 HydrophobicContact CD2-CD 4.06Å; F2405-K3158 HydrophobicContact CE1-CB 3.99Å; F2405-K3158 HydrophobicContact CE1-CD 3.87Å; F2405-K3158 HydrophobicContact CE1-CG 4.16Å; F2405-K3158 HydrophobicContact CE2-CD 4.01Å; F2405-K3158 HydrophobicContact CE2-CG 4.38Å; F2405-K3158 HydrophobicContact CG-CD 4.01Å; F2405-K3158 HydrophobicContact CZ-CB 4.18Å; F2405-K3158 HydrophobicContact CZ-CD 3.93Å; F2405-K3158 HydrophobicContact CZ-CG 4.02Å; G3154-K3158 PolarHBondContact O-N 3.29Å; G3155-K3158 PolarHBondContact O-N 2.96Å; K3158-A3160 VanDerWaalsContact C-N 3.31Å; K3158-A3160 PolarHBondContact O-N 3.45Å; K3158-A3161 WeakPolarHBondContact O-CB 3.25Å; K3158-A3161 PolarHBondContact O-N 2.96Å; K3158-A3161 VanDerWaalsContact O-N 3.16Å; K3158-D3162 PolarHBondContact O-N 2.99Å |
| 3159 | H | 84.7 | Confident | 85.2 | Confident | 97 Ų | 97 | 34.5 Ų | 34.5 | 45% | 0.449 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62 | -38.3 | 179.4 | -178.5 | -101.8 | 0 | 0 | 0 | 112.4 | G3155 S3156 D3162 R3163 | G3155-H3159 PolarHBondContact O-N 2.96Å; S3156-H3159 PolarHBondContact O-N 3.25Å; H3159-D3162 PolarHBondContact O-N 3.23Å; H3159-R3163 VanDerWaalsContact O-CB 3.24Å; H3159-R3163 WeakPolarHBondContact O-CB 3.3Å; H3159-R3163 PolarHBondContact O-N 2.93Å |
| 3160 | A | 87.6 | Confident | 84.9 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L3028 S3156 V3157 K3158 R3163 L3164 | L3028-A3160 HydrophobicContact CB-CB 4Å; L3028-A3160 HydrophobicContact CD1-CB 4.02Å; S3156-A3160 VanDerWaalsContact O-CB 3.3Å; S3156-A3160 WeakPolarHBondContact O-CB 3.35Å; S3156-A3160 PolarHBondContact O-N 3.39Å; V3157-A3160 PolarHBondContact O-N 3.18Å; K3158-A3160 VanDerWaalsContact C-N 3.31Å; K3158-A3160 PolarHBondContact O-N 3.45Å; A3160-R3163 PolarHBondContact O-N 3.38Å; A3160-L3164 WeakPolarHBondContact O-CB 3.25Å; A3160-L3164 PolarHBondContact O-N 2.94Å |
| 3161 | A | 88.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -50.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L3028 A3122 A3126 V3157 K3158 R3163 L3164 V3165 | L3028-A3161 HydrophobicContact CD1-CB 4.05Å; L3028-A3161 HydrophobicContact CD2-CB 4.04Å; A3122-A3161 HydrophobicContact CB-CB 4.34Å; A3126-A3161 HydrophobicContact CB-CB 3.89Å; V3157-A3161 WeakPolarHBondContact O-CB 3.45Å; V3157-A3161 PolarHBondContact O-N 3.48Å; K3158-A3161 WeakPolarHBondContact O-CB 3.25Å; K3158-A3161 PolarHBondContact O-N 2.96Å; K3158-A3161 VanDerWaalsContact O-N 3.16Å; A3161-R3163 PolarHBondContact O-N 3.25Å; A3161-L3164 PolarHBondContact O-N 3.36Å; A3161-L3164 VanDerWaalsContact O-N 3.14Å; A3161-V3165 VanDerWaalsContact O-CG2 3.3Å; A3161-V3165 WeakPolarHBondContact O-CG2 3.48Å; A3161-V3165 PolarHBondContact O-N 3.45Å |
| 3162 | D | 84.8 | Confident | 83.4 | Confident | 70 Ų | 70 | 39.8 Ų | 39.8 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.2 | -31.9 | 177.7 | -69.2 | -27.9 | 0 | 0 | 0 | 112.1 | K3158 H3159 R3166 | K3158-D3162 PolarHBondContact O-N 2.99Å; H3159-D3162 PolarHBondContact O-N 3.23Å; D3162-R3166 WeakPolarHBondContact O-CG 3.47Å; D3162-R3166 PolarHBondContact O-N 2.91Å; D3162-R3166 PolarHBondContact O-NE 3.11Å |
| 3163 | R | 85.3 | Confident | 82.6 | Confident | 64 Ų | 64 | 39.1 Ų | 39.1 | 24% | 0.242 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70 | -44.8 | 172.7 | -177 | 175.9 | -179.9 | 165.2 | 4 | 112.1 | H3159 A3160 A3161 R3166 I3167 | H3159-R3163 VanDerWaalsContact O-CB 3.24Å; H3159-R3163 WeakPolarHBondContact O-CB 3.3Å; H3159-R3163 PolarHBondContact O-N 2.93Å; A3160-R3163 PolarHBondContact O-N 3.38Å; A3161-R3163 PolarHBondContact O-N 3.25Å; R3163-R3166 PolarHBondContact O-N 3.48Å; R3163-I3167 HydrophobicContact CG-CD1 3.94Å; R3163-I3167 WeakPolarHBondContact O-CG1 3.29Å; R3163-I3167 PolarHBondContact O-N 2.88Å |
| 3164 | L | 88.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.9 | 174.8 | 59.4 | 0 | 0 | 0 | 111 | L3021 A3024 C3025 L3028 L3087 L3118 A3122 A3160 A3161 R3166 I3167 V3168 | L3021-L3164 HydrophobicContact CG-CD1 4.28Å; A3024-L3164 HydrophobicContact CB-CB 4.22Å; A3024-L3164 HydrophobicContact CB-CD1 3.92Å; C3025-L3164 HydrophobicContact CB-CD2 4.46Å; C3025-L3164 WeakPolarHBondContact SG-CD1 3.46Å; C3025-L3164 WeakPolarHBondContact SG-CD2 3.41Å; L3028-L3164 HydrophobicContact CD2-CD2 3.94Å; L3087-L3164 HydrophobicContact CD1-CD2 3.77Å; L3118-L3164 HydrophobicContact CD1-CD2 4.28Å; L3118-L3164 HydrophobicContact CD2-CD1 4.47Å; L3118-L3164 HydrophobicContact CG-CD2 4.48Å; A3122-L3164 HydrophobicContact CB-CD2 3.91Å; A3160-L3164 WeakPolarHBondContact O-CB 3.25Å; A3160-L3164 PolarHBondContact O-N 2.94Å; A3161-L3164 PolarHBondContact O-N 3.36Å; A3161-L3164 VanDerWaalsContact O-N 3.14Å; L3164-R3166 VanDerWaalsContact C-N 3.3Å; L3164-R3166 PolarHBondContact O-N 2.83Å; L3164-I3167 PolarHBondContact O-N 3.24Å; L3164-I3167 VanDerWaalsContact O-N 3.15Å; L3164-V3168 HydrophobicContact CD1-CG2 3.75Å; L3164-V3168 HydrophobicContact CG-CG2 4.24Å; L3164-V3168 VanDerWaalsContact O-CG2 3.29Å; L3164-V3168 WeakPolarHBondContact O-CG2 3.49Å; L3164-V3168 PolarHBondContact O-N 3.26Å |
| 3165 | V | 86.1 | Confident | 79.7 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I3119 A3122 Q3123 A3161 Q3169 | I3119-V3165 HydrophobicContact CB-CG2 4.37Å; I3119-V3165 HydrophobicContact CD1-CG1 4.27Å; I3119-V3165 HydrophobicContact CG1-CB 4.35Å; I3119-V3165 HydrophobicContact CG1-CG1 4.17Å; I3119-V3165 HydrophobicContact CG1-CG2 4.12Å; I3119-V3165 HydrophobicContact CG2-CG1 4.06Å; I3119-V3165 HydrophobicContact CG2-CG2 4.01Å; A3122-V3165 HydrophobicContact CB-CG2 4.23Å; Q3123-V3165 HydrophobicContact CG-CG2 4.32Å; A3161-V3165 VanDerWaalsContact O-CG2 3.3Å; A3161-V3165 WeakPolarHBondContact O-CG2 3.48Å; A3161-V3165 PolarHBondContact O-N 3.45Å; V3165-Q3169 WeakPolarHBondContact O-CB 3.48Å; V3165-Q3169 WeakPolarHBondContact O-CG 3.36Å; V3165-Q3169 PolarHBondContact O-N 2.73Å |
| 3166 | R | 83.4 | Confident | 77.2 | Confident | 117 Ų | 117 | 56.9 Ų | 56.9 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 173.7 | -77.9 | 175.6 | -76.8 | 149.4 | -13.8 | 112.8 | D3162 R3163 L3164 V3168 Q3169 M3170 | D3162-R3166 WeakPolarHBondContact O-CG 3.47Å; D3162-R3166 PolarHBondContact O-N 2.91Å; D3162-R3166 PolarHBondContact O-NE 3.11Å; R3163-R3166 PolarHBondContact O-N 3.48Å; L3164-R3166 VanDerWaalsContact C-N 3.3Å; L3164-R3166 PolarHBondContact O-N 2.83Å; R3166-V3168 PolarHBondContact O-N 3.46Å; R3166-Q3169 PolarHBondContact O-N 2.86Å; R3166-M3170 WeakPolarHBondContact O-CG 3.49Å; R3166-M3170 PolarHBondContact O-N 3.24Å |
| 3167 | I | 80.9 | Confident | 74.6 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -45.4 | -179.7 | -72.5 | 165.5 | 0 | 0 | 0 | 110.9 | L3012 A3020 L3021 A3024 R3163 L3164 Q3169 M3170 I3171 | L3012-I3167 HydrophobicContact CD2-CD1 4.47Å; L3012-I3167 HydrophobicContact CD2-CG1 4.2Å; A3020-I3167 HydrophobicContact CB-CG2 4.42Å; L3021-I3167 HydrophobicContact CB-CG2 4.17Å; A3024-I3167 HydrophobicContact CB-CD1 3.65Å; R3163-I3167 HydrophobicContact CG-CD1 3.94Å; R3163-I3167 WeakPolarHBondContact O-CG1 3.29Å; R3163-I3167 PolarHBondContact O-N 2.88Å; L3164-I3167 PolarHBondContact O-N 3.24Å; L3164-I3167 VanDerWaalsContact O-N 3.15Å; I3167-Q3169 VanDerWaalsContact C-N 3.35Å; I3167-Q3169 PolarHBondContact O-N 3.19Å; I3167-M3170 WeakPolarHBondContact O-CB 3.31Å; I3167-M3170 PolarHBondContact O-N 3.28Å; I3167-M3170 VanDerWaalsContact O-N 3.15Å; I3167-I3171 HydrophobicContact CG2-CD1 3.79Å; I3167-I3171 WeakPolarHBondContact O-CD1 3.45Å; I3167-I3171 WeakPolarHBondContact O-CG1 3.28Å; I3167-I3171 PolarHBondContact O-N 3.13Å |
| 3168 | V | 82.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 176.8 | 176 | 0 | 0 | 0 | 0 | 110.9 | L3021 P3115 L3118 I3119 L3164 R3166 M3170 I3171 V3172 | L3021-V3168 HydrophobicContact CD1-CG2 3.87Å; L3021-V3168 HydrophobicContact CG-CG2 4.37Å; P3115-V3168 HydrophobicContact CB-CG1 3.36Å; L3118-V3168 HydrophobicContact CD2-CG2 3.63Å; L3118-V3168 HydrophobicContact CG-CG2 4.13Å; I3119-V3168 HydrophobicContact CD1-CB 3.95Å; I3119-V3168 HydrophobicContact CD1-CG1 3.59Å; I3119-V3168 HydrophobicContact CG1-CB 4.05Å; I3119-V3168 HydrophobicContact CG1-CG1 3.88Å; L3164-V3168 HydrophobicContact CD1-CG2 3.75Å; L3164-V3168 HydrophobicContact CG-CG2 4.24Å; L3164-V3168 VanDerWaalsContact O-CG2 3.29Å; L3164-V3168 WeakPolarHBondContact O-CG2 3.49Å; L3164-V3168 PolarHBondContact O-N 3.26Å; R3166-V3168 PolarHBondContact O-N 3.46Å; V3168-M3170 VanDerWaalsContact C-N 3.33Å; V3168-M3170 PolarHBondContact O-N 3.07Å; V3168-I3171 PolarHBondContact O-N 2.84Å; V3168-V3172 WeakPolarHBondContact O-CG2 3.39Å; V3168-V3172 PolarHBondContact O-N 3.14Å |
| 3169 | Q | 80.9 | Confident | 69 | Low | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 174.4 | -73 | 169.7 | -0.9 | 0 | 0 | 112.9 | I3119 V3165 R3166 I3167 S3173 | I3119-Q3169 HydrophobicContact CD1-CG 4.03Å; V3165-Q3169 WeakPolarHBondContact O-CB 3.48Å; V3165-Q3169 WeakPolarHBondContact O-CG 3.36Å; V3165-Q3169 PolarHBondContact O-N 2.73Å; R3166-Q3169 PolarHBondContact O-N 2.86Å; I3167-Q3169 VanDerWaalsContact C-N 3.35Å; I3167-Q3169 PolarHBondContact O-N 3.19Å; Q3169-S3173 WeakPolarHBondContact O-CB 3.43Å; Q3169-S3173 PolarHBondContact O-N 3.35Å; Q3169-S3173 VanDerWaalsContact O-N 3.1Å; Q3169-S3173 PolarHBondContact O-OG 3.09Å |
| 3170 | M | 77.4 | Confident | 66.3 | Low | 90 Ų | 90 | 71.4 Ų | 71.4 | 44% | 0.443 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 176.1 | -73.2 | 173.6 | 66.7 | 0 | 0 | 112.7 | R3166 I3167 V3168 V3172 S3173 K3174 | R3166-M3170 WeakPolarHBondContact O-CG 3.49Å; R3166-M3170 PolarHBondContact O-N 3.24Å; I3167-M3170 WeakPolarHBondContact O-CB 3.31Å; I3167-M3170 PolarHBondContact O-N 3.28Å; I3167-M3170 VanDerWaalsContact O-N 3.15Å; V3168-M3170 VanDerWaalsContact C-N 3.33Å; V3168-M3170 PolarHBondContact O-N 3.07Å; M3170-V3172 VanDerWaalsContact C-N 3.32Å; M3170-V3172 PolarHBondContact O-N 3.11Å; M3170-S3173 WeakPolarHBondContact O-CB 3.49Å; M3170-S3173 PolarHBondContact O-N 2.99Å; M3170-S3173 VanDerWaalsContact O-N 3.13Å; M3170-K3174 PolarHBondContact O-N 2.91Å |
| 3171 | I | 72.7 | Confident | 63.4 | Low | 27 Ų | 27 | 76.2 Ų | 76.2 | 14% | 0.138 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 178.6 | -68.2 | 159.8 | 0 | 0 | 0 | 110.4 | G3017 L3021 F3094 I3167 V3168 S3173 K3174 S3175 | G3017-I3171 VanDerWaalsContact O-CD1 3.23Å; G3017-I3171 WeakPolarHBondContact O-CD1 3.44Å; L3021-I3171 HydrophobicContact CB-CD1 3.8Å; L3021-I3171 HydrophobicContact CD1-CD1 3.68Å; L3021-I3171 HydrophobicContact CG-CD1 4.38Å; F3094-I3171 HydrophobicContact CZ-CG2 4.42Å; I3167-I3171 HydrophobicContact CG2-CD1 3.79Å; I3167-I3171 WeakPolarHBondContact O-CD1 3.45Å; I3167-I3171 WeakPolarHBondContact O-CG1 3.28Å; I3167-I3171 PolarHBondContact O-N 3.13Å; V3168-I3171 PolarHBondContact O-N 2.84Å; I3171-S3173 VanDerWaalsContact C-N 3.26Å; I3171-S3173 PolarHBondContact O-N 2.9Å; I3171-K3174 PolarHBondContact O-N 3.35Å; I3171-K3174 VanDerWaalsContact O-N 3.17Å; I3171-S3175 PolarHBondContact O-N 2.94Å |
| 3172 | V | 68.4 | Low | 60.7 | Low | 49 Ų | 49 | 80.6 Ų | 80.6 | 30% | 0.297 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.4 | -30 | 178.4 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | P3115 V3168 M3170 S3175 | P3115-V3172 HydrophobicContact CB-CG2 3.42Å; P3115-V3172 VanDerWaalsContact CB-CG2 3.42Å; P3115-V3172 HydrophobicContact CG-CB 4.38Å; P3115-V3172 HydrophobicContact CG-CG1 4.15Å; P3115-V3172 HydrophobicContact CG-CG2 3.42Å; P3115-V3172 VanDerWaalsContact CG-CG2 3.42Å; V3168-V3172 WeakPolarHBondContact O-CG2 3.39Å; V3168-V3172 PolarHBondContact O-N 3.14Å; M3170-V3172 VanDerWaalsContact C-N 3.32Å; M3170-V3172 PolarHBondContact O-N 3.11Å; V3172-S3175 PolarHBondContact O-OG 3.48Å |
| 3173 | S | 67.8 | Low | 57.9 | Low | 94 Ų | 94 | 83 Ų | 83 | 66% | 0.657 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -76.4 | -32.2 | 175.5 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | Q3169 M3170 I3171 | Q3169-S3173 WeakPolarHBondContact O-CB 3.43Å; Q3169-S3173 PolarHBondContact O-N 3.35Å; Q3169-S3173 VanDerWaalsContact O-N 3.1Å; Q3169-S3173 PolarHBondContact O-OG 3.09Å; M3170-S3173 WeakPolarHBondContact O-CB 3.49Å; M3170-S3173 PolarHBondContact O-N 2.99Å; M3170-S3173 VanDerWaalsContact O-N 3.13Å; I3171-S3173 VanDerWaalsContact C-N 3.26Å; I3171-S3173 PolarHBondContact O-N 2.9Å |
| 3174 | K | 59.1 | Low | 55.4 | Low | 145 Ų | 145 | 85.2 Ų | 85.2 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -76.8 | -26.5 | 175.6 | -82.6 | -172.4 | 174.4 | -179 | 0 | 113.3 | M3170 I3171 K3176 | M3170-K3174 PolarHBondContact O-N 2.91Å; I3171-K3174 PolarHBondContact O-N 3.35Å; I3171-K3174 VanDerWaalsContact O-N 3.17Å; K3174-K3176 PolarHBondContact O-N 3.49Å |
| 3175 | S | 49.8 | Very low | 52.7 | Low | 51 Ų | 51 | 90.7 Ų | 90.7 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | trans | -76.8 | 26.5 | -174.9 | 68.2 | 0 | 0 | 0 | 0 | 115.5 | I3171 V3172 P3177 | I3171-S3175 PolarHBondContact O-N 2.94Å; V3172-S3175 PolarHBondContact O-OG 3.48Å; S3175-P3177 WeakPolarHBondContact O-CD 3.28Å | ||
| 3176 | K | 31.5 | Very low | 50.2 | Low | 183 Ų | 183 | 95.3 Ų | 95.3 | 80% | 0.796 | 54% | 0.541 | S | S | * | . | trans | -96.8 | 103.1 | 178.1 | -144.2 | -178.6 | -172.5 | -174.4 | 0 | 108.6 | K3174 | K3174-K3176 PolarHBondContact O-N 3.49Š| ||
| 3177 | P | 32.5 | Very low | 47.7 | Very low | 84 Ų | 84 | 96.8 Ų | 96.8 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -75.6 | 140.1 | -168.5 | -12.6 | 28.7 | 0 | 0 | 0 | 112.2 | I3106 S3175 | I3106-P3177 HydrophobicContact CG2-CB 4.18Å; I3106-P3177 HydrophobicContact CG2-CG 4.04Å; S3175-P3177 WeakPolarHBondContact O-CD 3.28Å |
| 3178 | V | 29.7 | Very low | 45.2 | Very low | 137 Ų | 137 | 103 Ų | 103 | 83% | 0.83 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 126.1 | 156.8 | 175.5 | 0 | 0 | 0 | 0 | 106.8 | T3180 | V3178-T3180 PolarHBondContact O-N 3.07Š|
| 3179 | M | 27.3 | Very low | 42.8 | Very low | 149 Ų | 149 | 107.9 Ų | 107.9 | 73% | 0.734 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 132.7 | -176.9 | -68.7 | 173.6 | 74.9 | 0 | 0 | 112.5 | ||
| 3180 | T | 28.3 | Very low | 40.2 | Very low | 126 Ų | 126 | 110.1 Ų | 110.1 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | trans | -171.9 | 87.5 | 146.6 | 15 | 0 | 0 | 0 | 0 | 112.9 | V3178 | V3178-T3180 PolarHBondContact O-N 3.07Š| ||
| 3181 | T | 26.8 | Very low | 38 | Very low | 114 Ų | 114 | 113.5 Ų | 113.5 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | 33.6 | 116.7 | 136.5 | 59.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 3182 | A | 30.9 | Very low | 35.9 | Very low | 93 Ų | 93 | 118 Ų | 118 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | 162.4 | 111.6 | 115.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 3183 | T | 27.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | trans | 17.9 | 130.9 | 135.7 | -19.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3184 | T | 32.6 | Very low | 32.1 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | -173.3 | 171 | 67.6 | -46.6 | 0 | 0 | 0 | 0 | 112.4 | Q3104 | Q3104-T3184 VanDerWaalsContact NE2-CA 3.32Å; Q3104-T3184 PolarHBondContact NE2-O 3.24Å | |||
| 3185 | T | 31 | Very low | 30.5 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | trans | -86.2 | 170.4 | -152.6 | 32 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3186 | P | 34.6 | Very low | 29.6 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | trans | -116.1 | 170.1 | -166.6 | 43.2 | -34.3 | 0 | 0 | 0 | 117.5 | ||||
| 3187 | V | 30.7 | Very low | 29.2 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 90% | 0.897 | 74% | 0.736 | S | S | * | * | trans | -159.1 | 153.9 | 169.1 | 179 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3188 | N | 28 | Very low | 29.1 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | cis | -174.5 | -177.5 | -37.9 | -172.4 | 28 | 0 | 0 | 0 | 108.8 | ||||
| 3189 | V | 31.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 62% | 0.624 | 75% | 0.745 | S | S | * | * | trans | 91.7 | 98.6 | 156.5 | -173.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 3190 | D | 27 | Very low | 29.3 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | 66 | 147.1 | 122.5 | -51.5 | -6.3 | 0 | 0 | 0 | 127.5 | |||||
| 3191 | K | 29.4 | Very low | 29.8 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 70% | 0.7 | 75% | 0.751 | S | S | * | * | trans | 77.1 | 148 | 153.9 | -70.4 | 153.6 | 162.7 | -76.7 | 0 | 118.5 | ||||
| 3192 | E | 28.6 | Very low | 30.3 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 57% | 0.565 | 75% | 0.749 | S | S | * | * | cis | -166 | 148.1 | -2.7 | -119.3 | 156.9 | -172.3 | 0 | 0 | 110.3 | ||||
| 3193 | Q | 28.3 | Very low | 30.8 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | 60.3 | 154 | 146.6 | -68.9 | 159.6 | 15.5 | 0 | 0 | 119.7 | ||||
| 3194 | S | 29.6 | Very low | 31.4 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -160.1 | 146.3 | 2.6 | 44.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3195 | E | 25.6 | Very low | 32.1 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | 11.1 | 135.6 | 149.5 | -58 | 176.4 | 173.9 | 0 | 0 | 122.2 | ||||
| 3196 | T | 29.2 | Very low | 32.9 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 94% | 0.939 | 72% | 0.717 | S | S | * | * | -162 | 136.2 | 123.3 | 4.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3197 | S | 24.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | -102.5 | 145.2 | -176.8 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 3198 | L | 28.8 | Very low | 34.7 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | trans | -160.3 | 122.5 | 155.8 | -106.4 | 136.8 | 0 | 0 | 0 | 114.2 | ||||
| 3199 | D | 31.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | trans | 59.3 | 96.7 | 151.3 | -64.3 | 0.4 | 0 | 0 | 0 | 123.3 | ||||
| 3200 | I | 30.8 | Very low | 37.7 | Very low | 178 Ų | 178 | 118.6 Ų | 118.6 | 91% | 0.913 | 64% | 0.64 | S | S | * | * | trans | -84.6 | 110.4 | 164.8 | -61.3 | 162.3 | 0 | 0 | 0 | 109.7 | ||||
| 3201 | S | 37.4 | Very low | 39.4 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -161.8 | -26.6 | 158.2 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | G3203 | S3201-G3203 PolarHBondContact O-N 3.3Š|
| 3202 | N | 38.3 | Very low | 41.1 | Very low | 122 Ų | 122 | 112.6 Ų | 112.6 | 65% | 0.652 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -87 | 5.4 | 177.4 | -75.4 | -36.4 | 0 | 0 | 0 | 115 | R3204 | N3202-R3204 PolarHBondContact O-N 3.34Š|
| 3203 | G | 40.5 | Very low | 42.6 | Very low | 42 Ų | 42 | 106.9 Ų | 106.9 | 43% | 0.433 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.2 | -27.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | S3201 V3205 V3206 S3207 | S3201-G3203 PolarHBondContact O-N 3.3Å; G3203-V3205 PolarHBondContact O-N 2.91Å; G3203-V3206 PolarHBondContact O-N 3.47Å; G3203-S3207 VanDerWaalsContact O-CB 3.3Å; G3203-S3207 WeakPolarHBondContact O-CB 3.26Å; G3203-S3207 PolarHBondContact O-N 3.45Å |
| 3204 | R | 41.9 | Very low | 44.3 | Very low | 221 Ų | 221 | 99.7 Ų | 99.7 | 83% | 0.834 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.1 | -43 | -167.9 | -151.9 | -179.8 | -163.2 | -159.1 | 5.2 | 113.3 | N3202 S3208 | N3202-R3204 PolarHBondContact O-N 3.34Å; R3204-S3208 WeakPolarHBondContact O-CB 3.23Å; R3204-S3208 PolarHBondContact O-N 3.34Å |
| 3205 | V | 46.5 | Very low | 45.9 | Very low | 94 Ų | 94 | 97 Ų | 97 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.8 | -38.3 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | G3203 M3209 | G3203-V3205 PolarHBondContact O-N 2.91Å; V3205-M3209 WeakPolarHBondContact O-CB 3.33Å; V3205-M3209 PolarHBondContact O-N 3.44Å |
| 3206 | V | 48.4 | Very low | 47.7 | Very low | 62 Ų | 62 | 92.7 Ų | 92.7 | 38% | 0.376 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 179.3 | 179 | 0 | 0 | 0 | 0 | 111.3 | V3082 G3203 M3209 R3210 | V3082-V3206 HydrophobicContact CG2-CG1 4.17Å; V3082-V3206 HydrophobicContact CG2-CG2 4.35Å; G3203-V3206 PolarHBondContact O-N 3.47Å; V3206-M3209 PolarHBondContact O-N 3.38Å; V3206-R3210 WeakPolarHBondContact O-CB 3.23Å; V3206-R3210 PolarHBondContact O-N 3.48Å |
| 3207 | S | 51.9 | Low | 49.3 | Very low | 60 Ų | 60 | 85.6 Ų | 85.6 | 42% | 0.42 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | G3203 M3209 R3210 Q3211 | G3203-S3207 VanDerWaalsContact O-CB 3.3Å; G3203-S3207 WeakPolarHBondContact O-CB 3.26Å; G3203-S3207 PolarHBondContact O-N 3.45Å; S3207-M3209 PolarHBondContact O-N 3.14Å; S3207-R3210 WeakPolarHBondContact O-CB 3.36Å; S3207-R3210 PolarHBondContact O-N 3.19Å; S3207-Q3211 WeakPolarHBondContact O-CB 3.3Å; S3207-Q3211 PolarHBondContact O-N 2.89Å |
| 3208 | S | 49.4 | Very low | 51 | Low | 65 Ų | 65 | 80.7 Ų | 80.7 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | R3204 Q3211 V3212 | R3204-S3208 WeakPolarHBondContact O-CB 3.23Å; R3204-S3208 PolarHBondContact O-N 3.34Å; S3208-Q3211 WeakPolarHBondContact O-CB 3.44Å; S3208-Q3211 PolarHBondContact O-N 2.93Å; S3208-V3212 WeakPolarHBondContact O-CG2 3.37Å; S3208-V3212 PolarHBondContact O-N 3.27Å |
| 3209 | M | 57.7 | Low | 52.8 | Low | 31 Ų | 31 | 76.7 Ų | 76.7 | 15% | 0.153 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 178.5 | -165.6 | 58.2 | 78.7 | 0 | 0 | 112.2 | Y3079 V3082 Y3128 V3205 V3206 S3207 Q3211 V3212 I3213 | Y3079-M3209 HydrophobicContact CD1-CE 3.56Å; Y3079-M3209 HydrophobicContact CD1-CG 4.29Å; Y3079-M3209 HydrophobicContact CD2-CE 4.43Å; Y3079-M3209 HydrophobicContact CE1-CE 3.32Å; Y3079-M3209 HydrophobicContact CE2-CE 4.23Å; Y3079-M3209 HydrophobicContact CG-CE 4.14Å; V3082-M3209 HydrophobicContact CG1-CB 4.43Å; V3082-M3209 HydrophobicContact CG1-CG 4.31Å; Y3128-M3209 HydrophobicContact CE1-SD 4.26Å; Y3128-M3209 PolarHBondContact OH-SD 3.46Å; V3205-M3209 WeakPolarHBondContact O-CB 3.33Å; V3205-M3209 PolarHBondContact O-N 3.44Å; V3206-M3209 PolarHBondContact O-N 3.38Å; S3207-M3209 PolarHBondContact O-N 3.14Å; M3209-Q3211 VanDerWaalsContact C-N 3.31Å; M3209-Q3211 PolarHBondContact O-N 2.86Å; M3209-V3212 WeakPolarHBondContact O-CB 3.08Å; M3209-V3212 PolarHBondContact O-N 3.36Å; M3209-V3212 VanDerWaalsContact O-N 3.1Å; M3209-V3212 HydrophobicContact SD-CB 4.24Å; M3209-V3212 HydrophobicContact SD-CG1 4.42Å; M3209-I3213 HydrophobicContact CG-CD1 4.45Å; M3209-I3213 WeakPolarHBondContact O-CG1 3.29Å; M3209-I3213 PolarHBondContact O-N 3.27Å |
| 3210 | R | 64.6 | Low | 54.3 | Low | 91 Ų | 91 | 70.1 Ų | 70.1 | 34% | 0.343 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -53.8 | -48.1 | 170.4 | 170.2 | -179.4 | -71.3 | -78.6 | -2.9 | 110.8 | E3089 V3206 S3207 V3212 I3213 E3214 | E3089-R3210 IonicContact OE1-CZ 3.63Å; E3089-R3210 IonicContact OE1-NH1 3.25Å; E3089-R3210 IonicContact OE1-NH2 3.52Å; E3089-R3210 PolarHBondContact OE1-NH2 2.81Å; E3089-R3210 IonicContact OE2-CZ 2.68Å; E3089-R3210 IonicContact OE2-NH1 3.69Å; E3089-R3210 PolarHBondContact OE2-NH1 2.86Å; E3089-R3210 IonicContact OE2-NH2 3.83Å; E3089-R3210 PolarHBondContact OE2-NH2 3.15Å; E3089-R3210 VanDerWaalsContact OE2-NH2 3.17Å; V3206-R3210 WeakPolarHBondContact O-CB 3.23Å; V3206-R3210 PolarHBondContact O-N 3.48Å; S3207-R3210 WeakPolarHBondContact O-CB 3.36Å; S3207-R3210 PolarHBondContact O-N 3.19Å; R3210-V3212 VanDerWaalsContact C-N 3.32Å; R3210-V3212 PolarHBondContact O-N 2.97Å; R3210-I3213 PolarHBondContact O-N 3.39Å; R3210-E3214 WeakPolarHBondContact O-CB 3.42Å; R3210-E3214 PolarHBondContact O-N 3.49Å |
| 3211 | Q | 64.6 | Low | 56 | Low | 100 Ų | 100 | 61.8 Ų | 61.8 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 175.8 | -168.5 | -176.6 | 23.6 | 0 | 0 | 112.1 | S3207 S3208 M3209 T3215 | S3207-Q3211 WeakPolarHBondContact O-CB 3.3Å; S3207-Q3211 PolarHBondContact O-N 2.89Å; S3208-Q3211 WeakPolarHBondContact O-CB 3.44Å; S3208-Q3211 PolarHBondContact O-N 2.93Å; M3209-Q3211 VanDerWaalsContact C-N 3.31Å; M3209-Q3211 PolarHBondContact O-N 2.86Å; Q3211-T3215 VanDerWaalsContact O-CB 3.25Å; Q3211-T3215 WeakPolarHBondContact O-CB 3.48Å; Q3211-T3215 PolarHBondContact O-N 2.94Å; Q3211-T3215 PolarHBondContact O-OG1 3.13Å |
| 3212 | V | 64 | Low | 57.4 | Low | 61 Ų | 61 | 58.7 Ų | 58.7 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | S3208 M3209 R3210 T3215 K3216 | S3208-V3212 WeakPolarHBondContact O-CG2 3.37Å; S3208-V3212 PolarHBondContact O-N 3.27Å; M3209-V3212 WeakPolarHBondContact O-CB 3.08Å; M3209-V3212 PolarHBondContact O-N 3.36Å; M3209-V3212 VanDerWaalsContact O-N 3.1Å; M3209-V3212 HydrophobicContact SD-CB 4.24Å; M3209-V3212 HydrophobicContact SD-CG1 4.42Å; R3210-V3212 VanDerWaalsContact C-N 3.32Å; R3210-V3212 PolarHBondContact O-N 2.97Å; V3212-T3215 PolarHBondContact O-N 2.87Å; V3212-K3216 HydrophobicContact CG1-CD 4.47Å; V3212-K3216 WeakPolarHBondContact O-CG 3.32Å; V3212-K3216 PolarHBondContact O-N 2.89Å |
| 3213 | I | 60.4 | Low | 58.9 | Low | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.4 | -41.6 | -179.5 | -49.4 | 160.3 | 0 | 0 | 0 | 110.3 | V3082 H3086 T3124 Y3128 M3209 R3210 T3215 K3216 S3217 | V3082-I3213 HydrophobicContact CG1-CD1 3.85Å; H3086-I3213 HydrophobicContact CB-CD1 4.31Å; H3086-I3213 WeakPolarHBondContact CD2-CG2 3.45Å; T3124-I3213 HydrophobicContact CG2-CB 4.46Å; T3124-I3213 HydrophobicContact CG2-CG1 3.86Å; T3124-I3213 HydrophobicContact CG2-CG2 3.95Å; Y3128-I3213 HydrophobicContact CE2-CD1 3.99Å; Y3128-I3213 HydrophobicContact CE2-CG1 4.13Å; Y3128-I3213 WeakPolarHBondContact OH-CG1 3.37Å; M3209-I3213 HydrophobicContact CG-CD1 4.45Å; M3209-I3213 WeakPolarHBondContact O-CG1 3.29Å; M3209-I3213 PolarHBondContact O-N 3.27Å; R3210-I3213 PolarHBondContact O-N 3.39Å; I3213-T3215 PolarHBondContact O-N 3.13Å; I3213-K3216 PolarHBondContact O-N 2.9Å; I3213-S3217 WeakPolarHBondContact O-CB 3.28Å; I3213-S3217 PolarHBondContact O-N 2.92Å |
| 3214 | E | 64.8 | Low | 60.3 | Low | 21 Ų | 21 | 54.7 Ų | 54.7 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 175.6 | -162.3 | -166.4 | -149.9 | 0 | 0 | 112 | R2283 I2287 R3210 S3217 S3218 | R2283-E3214 VanDerWaalsContact CD-OE1 3.25Å; R2283-E3214 WeakPolarHBondContact CD-OE1 3.21Å; R2283-E3214 WeakPolarHBondContact CD-OE2 3.42Å; R2283-E3214 HydrophobicContact CG-CG 4Å; R2283-E3214 WeakPolarHBondContact CG-OE1 3.23Å; R2283-E3214 IonicContact CZ-OE2 2.75Å; R2283-E3214 IonicContact NE-OE2 3.43Å; R2283-E3214 IonicContact NH1-OE2 3.76Å; R2283-E3214 PolarHBondContact NH1-OE2 3.4Å; I2287-E3214 WeakPolarHBondContact CD1-OE1 3.34Å; R3210-E3214 WeakPolarHBondContact O-CB 3.42Å; R3210-E3214 PolarHBondContact O-N 3.49Å; E3214-S3217 WeakPolarHBondContact O-CB 3.4Å; E3214-S3217 PolarHBondContact O-N 3.32Å; E3214-S3218 PolarHBondContact O-N 3.3Å |
| 3215 | T | 61.9 | Low | 61.6 | Low | 48 Ų | 48 | 46.8 Ų | 46.8 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67 | -43.5 | 173.8 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | Q3211 V3212 I3213 S3217 S3218 I3219 | Q3211-T3215 VanDerWaalsContact O-CB 3.25Å; Q3211-T3215 WeakPolarHBondContact O-CB 3.48Å; Q3211-T3215 PolarHBondContact O-N 2.94Å; Q3211-T3215 PolarHBondContact O-OG1 3.13Å; V3212-T3215 PolarHBondContact O-N 2.87Å; I3213-T3215 PolarHBondContact O-N 3.13Å; T3215-S3217 VanDerWaalsContact C-N 3.27Å; T3215-S3217 PolarHBondContact O-N 3.25Å; T3215-S3218 PolarHBondContact O-N 3.37Å; T3215-I3219 HydrophobicContact CG2-CD1 3.97Å; T3215-I3219 VanDerWaalsContact O-CG1 3.29Å; T3215-I3219 WeakPolarHBondContact O-CG1 3.5Å; T3215-I3219 PolarHBondContact O-N 3.39Å |
| 3216 | K | 63.4 | Low | 62.8 | Low | 90 Ų | 90 | 43.5 Ų | 43.5 | 39% | 0.391 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.3 | -38 | 172.5 | -73.3 | 176.9 | 176.3 | -177.3 | 0 | 111.9 | S3120 V3212 I3213 A3220 | S3120-K3216 VanDerWaalsContact OG-CB 3.31Å; S3120-K3216 WeakPolarHBondContact OG-CB 3.44Å; S3120-K3216 PolarHBondContact OG-O 3.12Å; V3212-K3216 HydrophobicContact CG1-CD 4.47Å; V3212-K3216 WeakPolarHBondContact O-CG 3.32Å; V3212-K3216 PolarHBondContact O-N 2.89Å; I3213-K3216 PolarHBondContact O-N 2.9Å; K3216-A3220 WeakPolarHBondContact O-CB 3.47Å; K3216-A3220 PolarHBondContact O-N 3.48Å |
| 3217 | S | 64.4 | Low | 64.1 | Low | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -52.5 | 171.9 | 148.3 | 0 | 0 | 0 | 0 | 111.1 | S3117 S3120 I3213 E3214 T3215 I3219 A3220 A3221 | S3117-S3217 WeakPolarHBondContact CA-OG 3.31Å; S3117-S3217 VanDerWaalsContact CB-OG 3.23Å; S3117-S3217 WeakPolarHBondContact CB-OG 3.4Å; S3117-S3217 PolarHBondContact OG-OG 2.98Å; S3120-S3217 VanDerWaalsContact CB-CA 3.43Å; S3120-S3217 PolarHBondContact OG-N 2.86Å; S3120-S3217 VanDerWaalsContact OG-N 3.09Å; I3213-S3217 WeakPolarHBondContact O-CB 3.28Å; I3213-S3217 PolarHBondContact O-N 2.92Å; E3214-S3217 WeakPolarHBondContact O-CB 3.4Å; E3214-S3217 PolarHBondContact O-N 3.32Å; T3215-S3217 VanDerWaalsContact C-N 3.27Å; T3215-S3217 PolarHBondContact O-N 3.25Å; S3217-I3219 PolarHBondContact O-N 3.47Å; S3217-A3220 WeakPolarHBondContact O-CB 3.36Å; S3217-A3220 PolarHBondContact O-N 2.85Å; S3217-A3220 VanDerWaalsContact O-N 3.15Å; S3217-A3221 WeakPolarHBondContact O-CB 3.42Å; S3217-A3221 PolarHBondContact O-N 3.35Å |
| 3218 | S | 59.9 | Low | 65.2 | Low | 5 Ų | 5 | 44.8 Ų | 44.8 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | -177.8 | -138 | 0 | 0 | 0 | 0 | 112.8 | D2279 E3214 T3215 A3220 A3221 K3222 | D2279-S3218 WeakPolarHBondContact CA-OG 3.46Å; D2279-S3218 WeakPolarHBondContact CB-OG 3.3Å; D2279-S3218 VanDerWaalsContact OD1-CB 3.32Å; D2279-S3218 WeakPolarHBondContact OD1-CB 3.24Å; D2279-S3218 PolarHBondContact OD1-OG 3.48Å; E3214-S3218 PolarHBondContact O-N 3.3Å; T3215-S3218 PolarHBondContact O-N 3.37Å; S3218-A3220 VanDerWaalsContact C-N 3.33Å; S3218-A3220 PolarHBondContact O-N 3.11Å; S3218-A3221 CarbonylContact O-C 3.59Å; S3218-A3221 WeakPolarHBondContact O-CA 3.24Å; S3218-A3221 VanDerWaalsContact O-CB 3.26Å; S3218-A3221 WeakPolarHBondContact O-CB 3.5Å; S3218-A3221 PolarHBondContact O-N 3.41Å; S3218-A3221 VanDerWaalsContact O-N 3.1Å; S3218-K3222 WeakPolarHBondContact O-CG 3.38Å; S3218-K3222 PolarHBondContact O-N 3.46Å |
| 3219 | I | 65.2 | Low | 66.5 | Low | 73 Ų | 73 | 45.2 Ų | 45.2 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 171.5 | -69 | 166.7 | 0 | 0 | 0 | 110.8 | T3215 S3217 A3221 K3222 Q3223 | T3215-I3219 HydrophobicContact CG2-CD1 3.97Å; T3215-I3219 VanDerWaalsContact O-CG1 3.29Å; T3215-I3219 WeakPolarHBondContact O-CG1 3.5Å; T3215-I3219 PolarHBondContact O-N 3.39Å; S3217-I3219 PolarHBondContact O-N 3.47Å; I3219-A3221 VanDerWaalsContact C-N 3.33Å; I3219-A3221 PolarHBondContact O-N 3.41Å; I3219-K3222 PolarHBondContact O-N 2.77Å; I3219-Q3223 WeakPolarHBondContact O-CB 3.42Å; I3219-Q3223 PolarHBondContact O-N 2.91Å |
| 3220 | A | 64.6 | Low | 67.3 | Low | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R2394 E3116 K3216 S3217 S3218 K3222 Q3223 R3224 | R2394-A3220 VanDerWaalsContact NH1-CB 3.31Å; E3116-A3220 VanDerWaalsContact CB-C 3.47Å; E3116-A3220 HydrophobicContact CB-CB 3.79Å; E3116-A3220 VanDerWaalsContact CG-C 3.49Å; E3116-A3220 HydrophobicContact CG-CB 4.26Å; E3116-A3220 VanDerWaalsContact CG-O 3.28Å; E3116-A3220 WeakPolarHBondContact CG-O 3.45Å; E3116-A3220 VanDerWaalsContact OE1-O 3.05Å; K3216-A3220 WeakPolarHBondContact O-CB 3.47Å; K3216-A3220 PolarHBondContact O-N 3.48Å; S3217-A3220 WeakPolarHBondContact O-CB 3.36Å; S3217-A3220 PolarHBondContact O-N 2.85Å; S3217-A3220 VanDerWaalsContact O-N 3.15Å; S3218-A3220 VanDerWaalsContact C-N 3.33Å; S3218-A3220 PolarHBondContact O-N 3.11Å; A3220-K3222 VanDerWaalsContact C-N 3.33Å; A3220-K3222 PolarHBondContact O-N 3.38Å; A3220-Q3223 WeakPolarHBondContact O-CB 3.43Å; A3220-Q3223 PolarHBondContact O-N 2.98Å; A3220-R3224 PolarHBondContact O-N 2.9Å |
| 3221 | A | 66.3 | Low | 68 | Low | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K3114 E3116 S3217 S3218 I3219 | K3114-A3221 HydrophobicContact CB-CB 3.97Å; K3114-A3221 HydrophobicContact CD-CB 3.32Å; K3114-A3221 WeakPolarHBondContact CD-O 3.42Å; K3114-A3221 HydrophobicContact CG-CB 4.28Å; K3114-A3221 PolarHBondContact NZ-O 3.37Å; K3114-A3221 VanDerWaalsContact NZ-O 3.11Å; E3116-A3221 VanDerWaalsContact CB-CA 3.48Å; E3116-A3221 HydrophobicContact CB-CB 4Å; E3116-A3221 VanDerWaalsContact CB-N 3.26Å; S3217-A3221 WeakPolarHBondContact O-CB 3.42Å; S3217-A3221 PolarHBondContact O-N 3.35Å; S3218-A3221 CarbonylContact O-C 3.59Å; S3218-A3221 WeakPolarHBondContact O-CA 3.24Å; S3218-A3221 VanDerWaalsContact O-CB 3.26Å; S3218-A3221 WeakPolarHBondContact O-CB 3.5Å; S3218-A3221 PolarHBondContact O-N 3.41Å; S3218-A3221 VanDerWaalsContact O-N 3.1Å; I3219-A3221 VanDerWaalsContact C-N 3.33Å; I3219-A3221 PolarHBondContact O-N 3.41Å |
| 3222 | K | 67.2 | Low | 68.3 | Low | 39 Ų | 39 | 43.7 Ų | 43.7 | 17% | 0.17 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.6 | -42 | 174.1 | -72.5 | -105 | 176.3 | 63.3 | 0 | 112 | R2275 D2279 S3218 I3219 A3220 R3224 E3225 L3226 | R2275-K3222 PolarHBondContact O-NZ 3.07Å; D2279-K3222 WeakPolarHBondContact OD1-CG 3.4Å; D2279-K3222 IonicContact OD1-NZ 3.57Å; D2279-K3222 PolarHBondContact OD1-NZ 3.14Å; D2279-K3222 IonicContact OD2-NZ 2.64Å; D2279-K3222 PolarHBondContact OD2-NZ 3.3Å; S3218-K3222 WeakPolarHBondContact O-CG 3.38Å; S3218-K3222 PolarHBondContact O-N 3.46Å; I3219-K3222 PolarHBondContact O-N 2.77Å; A3220-K3222 VanDerWaalsContact C-N 3.33Å; A3220-K3222 PolarHBondContact O-N 3.38Å; K3222-R3224 PolarHBondContact O-N 2.68Å; K3222-E3225 PolarHBondContact O-N 3.47Å; K3222-L3226 WeakPolarHBondContact O-CB 3.34Å; K3222-L3226 PolarHBondContact O-N 2.84Å; K3222-L3226 VanDerWaalsContact O-N 3.07Å |
| 3223 | Q | 70.1 | Confident | 68.9 | Low | 13 Ų | 13 | 43.7 Ų | 43.7 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.6 | -50.6 | -179.2 | 176.4 | 60 | 34.1 | 0 | 0 | 112 | K2391 I3219 A3220 L3226 D3227 | K2391-Q3223 VanDerWaalsContact CD-NE2 3.34Å; K2391-Q3223 VanDerWaalsContact CE-NE2 3.25Å; I3219-Q3223 WeakPolarHBondContact O-CB 3.42Å; I3219-Q3223 PolarHBondContact O-N 2.91Å; A3220-Q3223 WeakPolarHBondContact O-CB 3.43Å; A3220-Q3223 PolarHBondContact O-N 2.98Å; Q3223-L3226 WeakPolarHBondContact O-CB 3.24Å; Q3223-L3226 PolarHBondContact O-N 2.86Å; Q3223-D3227 VanDerWaalsContact NE2-CG 3.34Å; Q3223-D3227 PolarHBondContact NE2-OD1 2.84Å; Q3223-D3227 PolarHBondContact NE2-OD2 2.71Å; Q3223-D3227 PolarHBondContact O-N 3.34Å |
| 3224 | R | 68.5 | Low | 69.8 | Low | 67 Ų | 67 | 49.8 Ų | 49.8 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.9 | -36.4 | -177.6 | -123 | -170.7 | -133.5 | 116.5 | 36.8 | 114.1 | E3116 I3119 A3220 K3222 L3226 D3227 K3228 | E3116-R3224 HydrophobicContact CG-CB 4.19Å; E3116-R3224 WeakPolarHBondContact OE1-CB 3.29Å; E3116-R3224 WeakPolarHBondContact OE1-CG 3.4Å; E3116-R3224 IonicContact OE1-CZ 3.39Å; E3116-R3224 IonicContact OE1-NE 3.93Å; E3116-R3224 PolarHBondContact OE1-NE 2.95Å; E3116-R3224 IonicContact OE1-NH1 2.55Å; E3116-R3224 PolarHBondContact OE1-NH1 3.47Å; E3116-R3224 IonicContact OE1-NH2 3.08Å; E3116-R3224 PolarHBondContact OE1-NH2 3Å; E3116-R3224 IonicContact OE2-CZ 3.86Å; E3116-R3224 IonicContact OE2-NH1 3.08Å; E3116-R3224 PolarHBondContact OE2-NH1 3.24Å; E3116-R3224 IonicContact OE2-NH2 3.41Å; E3116-R3224 PolarHBondContact OE2-NH2 2.94Å; I3119-R3224 VanDerWaalsContact CD1-NH1 3.28Å; A3220-R3224 PolarHBondContact O-N 2.9Å; K3222-R3224 PolarHBondContact O-N 2.68Å; R3224-L3226 PolarHBondContact O-N 2.95Å; R3224-D3227 PolarHBondContact O-N 3.22Å; R3224-K3228 WeakPolarHBondContact O-CB 3.27Å; R3224-K3228 PolarHBondContact O-N 2.96Å |
| 3225 | E | 70.1 | Confident | 70.3 | Confident | 55 Ų | 55 | 53.8 Ų | 53.8 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 173.5 | -178 | 176.6 | -179 | 0 | 0 | 110.4 | K3114 K3222 K3228 L3229 | K3114-E3225 IonicContact NZ-OE2 3.13Å; K3114-E3225 PolarHBondContact NZ-OE2 3.13Å; K3222-E3225 PolarHBondContact O-N 3.47Å; E3225-K3228 WeakPolarHBondContact O-CB 3.4Å; E3225-K3228 PolarHBondContact O-N 3.38Å; E3225-L3229 WeakPolarHBondContact O-CG 3.37Å; E3225-L3229 PolarHBondContact O-N 2.89Å |
| 3226 | L | 71.6 | Confident | 71 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.4 | -38.1 | 176.6 | -132.5 | 163.9 | 0 | 0 | 0 | 112.5 | T2387 K3222 Q3223 R3224 K3228 L3229 H3230 | T2387-L3226 HydrophobicContact CG2-CD1 3.49Å; T2387-L3226 VanDerWaalsContact CG2-CD1 3.49Å; T2387-L3226 HydrophobicContact CG2-CD2 3.35Å; T2387-L3226 HydrophobicContact CG2-CG 4.03Å; K3222-L3226 WeakPolarHBondContact O-CB 3.34Å; K3222-L3226 PolarHBondContact O-N 2.84Å; K3222-L3226 VanDerWaalsContact O-N 3.07Å; Q3223-L3226 WeakPolarHBondContact O-CB 3.24Å; Q3223-L3226 PolarHBondContact O-N 2.86Å; R3224-L3226 PolarHBondContact O-N 2.95Å; L3226-K3228 VanDerWaalsContact C-N 3.33Å; L3226-L3229 PolarHBondContact O-N 3.34Å; L3226-H3230 WeakPolarHBondContact CD2-CE1 3.46Å; L3226-H3230 WeakPolarHBondContact CD2-NE2 3.36Å; L3226-H3230 WeakPolarHBondContact O-CB 3.46Å; L3226-H3230 VanDerWaalsContact O-CG 3.28Å; L3226-H3230 PolarHBondContact O-N 3.39Å |
| 3227 | D | 75.8 | Confident | 71.6 | Confident | 55 Ų | 55 | 55 Ų | 55 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66 | -34 | 171.7 | -66.6 | -32.2 | 0 | 0 | 0 | 112.2 | K2391 F2474 Q3223 R3224 H3230 A3231 | K2391-D3227 IonicContact NZ-OD1 2.82Å; K2391-D3227 PolarHBondContact NZ-OD1 3.49Å; F2474-D3227 WeakPolarHBondContact CE1-OD1 3.43Å; Q3223-D3227 VanDerWaalsContact NE2-CG 3.34Å; Q3223-D3227 PolarHBondContact NE2-OD1 2.84Å; Q3223-D3227 PolarHBondContact NE2-OD2 2.71Å; Q3223-D3227 PolarHBondContact O-N 3.34Å; R3224-D3227 PolarHBondContact O-N 3.22Å; D3227-H3230 PolarHBondContact O-N 2.99Å; D3227-A3231 WeakPolarHBondContact O-CB 3.39Å; D3227-A3231 PolarHBondContact O-N 3.31Å |
| 3228 | K | 75.1 | Confident | 72 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 40% | 0.404 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 171.7 | -176.6 | -175.5 | 177.1 | -177.5 | 0 | 111.5 | D3110 R3224 E3225 L3226 H3230 A3231 Q3232 | D3110-K3228 IonicContact OD1-NZ 3.45Å; D3110-K3228 PolarHBondContact OD1-NZ 2.85Å; D3110-K3228 IonicContact OD2-NZ 2.72Å; R3224-K3228 WeakPolarHBondContact O-CB 3.27Å; R3224-K3228 PolarHBondContact O-N 2.96Å; E3225-K3228 WeakPolarHBondContact O-CB 3.4Å; E3225-K3228 PolarHBondContact O-N 3.38Å; L3226-K3228 VanDerWaalsContact C-N 3.33Å; K3228-H3230 PolarHBondContact O-N 3.42Å; K3228-A3231 PolarHBondContact O-N 2.88Å; K3228-Q3232 WeakPolarHBondContact O-CG 3.25Å; K3228-Q3232 PolarHBondContact O-N 3.27Å |
| 3229 | L | 75.9 | Confident | 72.7 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 39% | 0.387 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.3 | -72.2 | 170.5 | 0 | 0 | 0 | 111.9 | E3225 L3226 Q3232 L3233 | E3225-L3229 WeakPolarHBondContact O-CG 3.37Å; E3225-L3229 PolarHBondContact O-N 2.89Å; L3226-L3229 PolarHBondContact O-N 3.34Å; L3229-Q3232 PolarHBondContact O-N 3.42Å; L3229-L3233 WeakPolarHBondContact O-CB 3.33Å; L3229-L3233 PolarHBondContact O-N 3.4Å |
| 3230 | H | 75.7 | Confident | 72.7 | Confident | 38 Ų | 38 | 65.7 Ų | 65.7 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 174.9 | -71.2 | 176.3 | 0 | 0 | 0 | 113 | Q2471 L3226 D3227 K3228 K3234 | Q2471-H3230 VanDerWaalsContact CD-CE1 3.42Å; Q2471-H3230 PolarHBondContact NE2-ND1 2.82Å; Q2471-H3230 VanDerWaalsContact NE2-ND1 3.18Å; Q2471-H3230 PolarHBondContact OE1-CE1 2.88Å; Q2471-H3230 PolarHBondContact OE1-ND1 3.18Å; L3226-H3230 WeakPolarHBondContact CD2-CE1 3.46Å; L3226-H3230 WeakPolarHBondContact CD2-NE2 3.36Å; L3226-H3230 WeakPolarHBondContact O-CB 3.46Å; L3226-H3230 VanDerWaalsContact O-CG 3.28Å; L3226-H3230 PolarHBondContact O-N 3.39Å; D3227-H3230 PolarHBondContact O-N 2.99Å; K3228-H3230 PolarHBondContact O-N 3.42Å; H3230-K3234 VanDerWaalsContact O-CB 3.3Å; H3230-K3234 WeakPolarHBondContact O-CB 3.42Å; H3230-K3234 PolarHBondContact O-N 2.72Å |
| 3231 | A | 77.5 | Confident | 72.6 | Confident | 60 Ų | 60 | 74.3 Ų | 74.3 | 50% | 0.496 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | D3227 K3228 K3234 H3235 | D3227-A3231 WeakPolarHBondContact O-CB 3.39Å; D3227-A3231 PolarHBondContact O-N 3.31Å; K3228-A3231 PolarHBondContact O-N 2.88Å; A3231-K3234 PolarHBondContact O-N 2.88Å; A3231-H3235 PolarHBondContact O-N 3.09Å |
| 3232 | Q | 72.2 | Confident | 72.5 | Confident | 92 Ų | 92 | 83 Ų | 83 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 172.2 | -75.7 | 172.9 | -42.7 | 0 | 0 | 111.7 | K3228 L3229 K3234 H3235 I3236 | K3228-Q3232 WeakPolarHBondContact O-CG 3.25Å; K3228-Q3232 PolarHBondContact O-N 3.27Å; L3229-Q3232 PolarHBondContact O-N 3.42Å; Q3232-K3234 VanDerWaalsContact C-N 3.34Å; Q3232-K3234 PolarHBondContact O-N 2.83Å; Q3232-H3235 WeakPolarHBondContact O-CB 3.45Å; Q3232-H3235 PolarHBondContact O-N 2.97Å; Q3232-H3235 VanDerWaalsContact O-N 3.11Å; Q3232-I3236 WeakPolarHBondContact O-CG1 3.33Å; Q3232-I3236 PolarHBondContact O-N 2.87Å |
| 3233 | L | 75.5 | Confident | 72 | Confident | 62 Ų | 62 | 84.8 Ų | 84.8 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.1 | -174.7 | 65.1 | 0 | 0 | 0 | 111.7 | L3229 H3235 I3236 H3237 | L3229-L3233 WeakPolarHBondContact O-CB 3.33Å; L3229-L3233 PolarHBondContact O-N 3.4Å; L3233-H3235 VanDerWaalsContact C-N 3.32Å; L3233-H3235 PolarHBondContact O-N 2.98Å; L3233-I3236 PolarHBondContact O-N 2.86Å; L3233-H3237 WeakPolarHBondContact CD1-NE2 3.44Å; L3233-H3237 WeakPolarHBondContact O-CB 3.45Å; L3233-H3237 VanDerWaalsContact O-CG 3.31Å; L3233-H3237 PolarHBondContact O-N 3.19Å |
| 3234 | K | 79.6 | Confident | 71.3 | Confident | 127 Ų | 127 | 92 Ų | 92 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61 | -39.5 | 173.5 | -177.5 | 175 | 177.6 | 176.7 | 0 | 111.9 | H3230 A3231 Q3232 Q3238 | H3230-K3234 VanDerWaalsContact O-CB 3.3Å; H3230-K3234 WeakPolarHBondContact O-CB 3.42Å; H3230-K3234 PolarHBondContact O-N 2.72Å; A3231-K3234 PolarHBondContact O-N 2.88Å; Q3232-K3234 VanDerWaalsContact C-N 3.34Å; Q3232-K3234 PolarHBondContact O-N 2.83Å; K3234-Q3238 WeakPolarHBondContact O-CB 3.49Å; K3234-Q3238 VanDerWaalsContact O-CG 3.27Å; K3234-Q3238 WeakPolarHBondContact O-CG 3.47Å; K3234-Q3238 PolarHBondContact O-N 3.26Å |
| 3235 | H | 76.3 | Confident | 70.6 | Confident | 106 Ų | 106 | 94.9 Ų | 94.9 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 176.3 | -165.8 | -7.6 | 0 | 0 | 0 | 111.8 | A3231 Q3232 L3233 H3237 Q3238 D3239 | A3231-H3235 PolarHBondContact O-N 3.09Å; Q3232-H3235 WeakPolarHBondContact O-CB 3.45Å; Q3232-H3235 PolarHBondContact O-N 2.97Å; Q3232-H3235 VanDerWaalsContact O-N 3.11Å; L3233-H3235 VanDerWaalsContact C-N 3.32Å; L3233-H3235 PolarHBondContact O-N 2.98Å; H3235-H3237 PolarHBondContact O-N 3.38Å; H3235-Q3238 PolarHBondContact O-N 2.88Å; H3235-Q3238 VanDerWaalsContact O-N 3.16Å; H3235-D3239 IonicContact CE1-OD1 3.93Å; H3235-D3239 PolarHBondContact CE1-OD1 3.11Å; H3235-D3239 IonicContact CE1-OD2 3.56Å; H3235-D3239 PolarHBondContact CE1-OD2 3.05Å; H3235-D3239 IonicContact ND1-OD1 2.69Å; H3235-D3239 PolarHBondContact ND1-OD1 2.88Å; H3235-D3239 IonicContact ND1-OD2 3.37Å; H3235-D3239 PolarHBondContact ND1-OD2 2.86Å; H3235-D3239 VanDerWaalsContact ND1-OD2 3.08Å; H3235-D3239 PolarHBondContact O-N 3.31Å |
| 3236 | I | 76.6 | Confident | 69 | Low | 96 Ų | 96 | 103.4 Ų | 103.4 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.2 | -67.9 | 164.3 | 0 | 0 | 0 | 110.9 | Q3232 L3233 Q3238 D3239 Q3240 | Q3232-I3236 WeakPolarHBondContact O-CG1 3.33Å; Q3232-I3236 PolarHBondContact O-N 2.87Å; L3233-I3236 PolarHBondContact O-N 2.86Å; I3236-Q3238 PolarHBondContact O-N 3.42Å; I3236-D3239 PolarHBondContact O-N 3.48Å; I3236-Q3240 PolarHBondContact O-N 3.23Å |
| 3237 | H | 76 | Confident | 68.9 | Low | 67 Ų | 67 | 107.4 Ų | 107.4 | 31% | 0.31 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 174.8 | -68.4 | 178 | 0 | 0 | 0 | 111.5 | L3233 H3235 D3239 Q3240 Y3241 | L3233-H3237 WeakPolarHBondContact CD1-NE2 3.44Å; L3233-H3237 WeakPolarHBondContact O-CB 3.45Å; L3233-H3237 VanDerWaalsContact O-CG 3.31Å; L3233-H3237 PolarHBondContact O-N 3.19Å; H3235-H3237 PolarHBondContact O-N 3.38Å; H3237-D3239 PolarHBondContact O-N 3.01Å; H3237-Q3240 PolarHBondContact O-N 3.28Å; H3237-Y3241 WeakPolarHBondContact O-CD2 3.26Å; H3237-Y3241 PolarHBondContact O-N 3.39Å |
| 3238 | Q | 73.5 | Confident | 68.5 | Low | 111 Ų | 111 | 110.1 Ų | 110.1 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 177.1 | -78.3 | 179.7 | -18.4 | 0 | 0 | 113.1 | K3234 H3235 I3236 Y3241 R3242 | K3234-Q3238 WeakPolarHBondContact O-CB 3.49Å; K3234-Q3238 VanDerWaalsContact O-CG 3.27Å; K3234-Q3238 WeakPolarHBondContact O-CG 3.47Å; K3234-Q3238 PolarHBondContact O-N 3.26Å; H3235-Q3238 PolarHBondContact O-N 2.88Å; H3235-Q3238 VanDerWaalsContact O-N 3.16Å; I3236-Q3238 PolarHBondContact O-N 3.42Å; Q3238-Y3241 PolarHBondContact O-N 3.18Å; Q3238-R3242 PolarHBondContact O-N 3.26Å |
| 3239 | D | 72.6 | Confident | 68.2 | Low | 71 Ų | 71 | 111.1 Ų | 111.1 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.8 | -37.1 | 178.1 | -71.1 | -18.7 | 0 | 0 | 0 | 111.9 | H3235 I3236 H3237 Y3241 R3242 S3243 | H3235-D3239 IonicContact CE1-OD1 3.93Å; H3235-D3239 PolarHBondContact CE1-OD1 3.11Å; H3235-D3239 IonicContact CE1-OD2 3.56Å; H3235-D3239 PolarHBondContact CE1-OD2 3.05Å; H3235-D3239 IonicContact ND1-OD1 2.69Å; H3235-D3239 PolarHBondContact ND1-OD1 2.88Å; H3235-D3239 IonicContact ND1-OD2 3.37Å; H3235-D3239 PolarHBondContact ND1-OD2 2.86Å; H3235-D3239 VanDerWaalsContact ND1-OD2 3.08Å; H3235-D3239 PolarHBondContact O-N 3.31Å; I3236-D3239 PolarHBondContact O-N 3.48Å; H3237-D3239 PolarHBondContact O-N 3.01Å; D3239-Y3241 PolarHBondContact O-N 3.09Å; D3239-R3242 PolarHBondContact O-N 2.86Å; D3239-S3243 PolarHBondContact O-N 2.92Å |
| 3240 | Q | 65.5 | Low | 67.7 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.9 | -47.3 | 170.4 | -76.8 | -177 | -22.6 | 0 | 0 | 111.5 | I3236 H3237 S3243 | I3236-Q3240 PolarHBondContact O-N 3.23Å; H3237-Q3240 PolarHBondContact O-N 3.28Å; Q3240-S3243 PolarHBondContact O-N 3.3Å; Q3240-S3243 PolarHBondContact O-OG 3.36Å |
| 3241 | Y | 64.2 | Low | 67.2 | Low | 181 Ų | 181 | 117.9 Ų | 117.9 | 71% | 0.71 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.6 | -33.9 | 175.9 | -74.9 | -69.3 | 0 | 0 | 0 | 113.4 | H3237 Q3238 D3239 S3243 H3244 V3245 | H3237-Y3241 WeakPolarHBondContact O-CD2 3.26Å; H3237-Y3241 PolarHBondContact O-N 3.39Å; Q3238-Y3241 PolarHBondContact O-N 3.18Å; D3239-Y3241 PolarHBondContact O-N 3.09Å; Y3241-S3243 VanDerWaalsContact C-N 3.29Å; Y3241-S3243 PolarHBondContact O-N 3.19Å; Y3241-H3244 PolarHBondContact O-N 3.2Å; Y3241-V3245 WeakPolarHBondContact O-CG2 3.43Å |
| 3242 | R | 64.2 | Low | 66.5 | Low | 186 Ų | 186 | 121.8 Ų | 121.8 | 70% | 0.702 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61 | -38.3 | 172.9 | -102.3 | -175.9 | 173.4 | -178.1 | -1.5 | 112.3 | Q3238 D3239 H3244 V3245 Q3246 | Q3238-R3242 PolarHBondContact O-N 3.26Å; D3239-R3242 PolarHBondContact O-N 2.86Å; R3242-H3244 PolarHBondContact O-N 3.21Å; R3242-H3244 VanDerWaalsContact O-N 3.15Å; R3242-V3245 PolarHBondContact O-N 2.87Å; R3242-V3245 VanDerWaalsContact O-N 3.16Å; R3242-Q3246 PolarHBondContact O-N 3.09Å |
| 3243 | S | 55 | Low | 66.1 | Low | 77 Ų | 77 | 123.9 Ų | 123.9 | 54% | 0.538 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -1.9 | 178.6 | 77.7 | 0 | 0 | 0 | 0 | 115.3 | D3239 Q3240 Y3241 | D3239-S3243 PolarHBondContact O-N 2.92Å; Q3240-S3243 PolarHBondContact O-N 3.3Å; Q3240-S3243 PolarHBondContact O-OG 3.36Å; Y3241-S3243 VanDerWaalsContact C-N 3.29Å; Y3241-S3243 PolarHBondContact O-N 3.19Å |
| 3244 | H | 56.4 | Low | 65.4 | Low | 165 Ų | 165 | 128.7 Ų | 128.7 | 76% | 0.764 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | 6.1 | 173.6 | -83.6 | 23.9 | 0 | 0 | 0 | 113.1 | Y3241 R3242 | Y3241-H3244 PolarHBondContact O-N 3.2Å; R3242-H3244 PolarHBondContact O-N 3.21Å; R3242-H3244 VanDerWaalsContact O-N 3.15Å |
| 3245 | V | 52.8 | Low | 64.2 | Low | 126 Ų | 126 | 128.8 Ų | 128.8 | 76% | 0.764 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 5 | -179.3 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | Y3241 R3242 | Y3241-V3245 WeakPolarHBondContact O-CG2 3.43Å; R3242-V3245 PolarHBondContact O-N 2.87Å; R3242-V3245 VanDerWaalsContact O-N 3.16Å |
| 3246 | Q | 37.4 | Very low | 63.1 | Low | 235 Ų | 235 | 130.9 Ų | 130.9 | 100% | 1.098 | 62% | 0.624 | S | S | * | * | trans | -111.5 | 0 | 160.2 | -74.6 | -171.5 | -56.9 | 0 | 0 | 109.6 | R3242 | R3242-Q3246 PolarHBondContact O-N 3.09Š|
Retrieved 3,246 of 3,246 residues in 4406.7 ms
(Link to these results)