| 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 | 81.3 | Confident | 89.4 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | 0 | -30.9 | 0 | -165.4 | 44.8 | -155.9 | 0 | 0 | 113.6 | S3 Y4 V6 L32 F34 F70 | M1-S3 PolarHBondContact O-N 3.27Å; M1-Y4 PolarHBondContact O-N 3.39Å; M1-V6 HydrophobicContact CE-CG2 3.48Å; M1-V6 VanDerWaalsContact CE-CG2 3.48Å; M1-L32 HydrophobicContact CE-CD2 3.55Å; M1-L32 HydrophobicContact SD-CD2 3.96Å; M1-F34 HydrophobicContact CE-CZ 4.17Å; M1-F70 HydrophobicContact SD-CD2 4.29Å; M1-F70 HydrophobicContact SD-CE2 4.33Å | |||
| 2 | D | 86 | Confident | 88.5 | Confident | 141 Ų | 141 | 76.1 Ų | 76.1 | 75% | 0.754 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -10.5 | -176.8 | -55.3 | -56 | 0 | 0 | 0 | 116.4 | Y4 K24 | D2-Y4 VanDerWaalsContact C-N 3.29Å; D2-K24 WeakPolarHBondContact O-CD 3.42Å; D2-K24 WeakPolarHBondContact O-CE 3.48Å; D2-K24 PolarHBondContact O-NZ 2.79Å |
| 3 | S | 90.8 | Very high | 86.7 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 44% | 0.441 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 1.7 | 175 | -67.5 | 0 | 0 | 0 | 0 | 114 | M1 K24 | M1-S3 PolarHBondContact O-N 3.27Å; S3-K24 WeakPolarHBondContact O-CB 3.33Å; S3-K24 WeakPolarHBondContact O-CG 3.14Å; S3-K24 PolarHBondContact O-N 2.78Å |
| 4 | Y | 94.4 | Very high | 84.8 | Confident | 10 Ų | 10 | 73 Ų | 73 | 4% | 0.039 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.5 | -173.7 | -66.8 | -84.7 | 0 | 0 | 0 | 112.6 | M1 D2 K23 V30 L32 D68 F70 V79 | M1-Y4 PolarHBondContact O-N 3.39Å; D2-Y4 VanDerWaalsContact C-N 3.29Å; Y4-K23 HydrophobicContact CD1-CB 3.98Å; Y4-K23 HydrophobicContact CD1-CG 4.27Å; Y4-K23 HydrophobicContact CE1-CB 3.61Å; Y4-K23 HydrophobicContact CE1-CD 3.98Å; Y4-K23 HydrophobicContact CE1-CG 3.69Å; Y4-K23 PolarHBondContact OH-NZ 3.46Å; Y4-V30 HydrophobicContact CD1-CG2 3.84Å; Y4-V30 HydrophobicContact CE1-CG1 4.3Å; Y4-V30 HydrophobicContact CE1-CG2 4Å; Y4-L32 HydrophobicContact CG-CD2 4.46Å; Y4-D68 WeakPolarHBondContact CE2-OD2 3.24Å; Y4-D68 VanDerWaalsContact CZ-OD2 3.3Å; Y4-D68 PolarHBondContact OH-OD2 3.46Å; Y4-F70 HydrophobicContact CD2-CE2 4.01Å; Y4-F70 HydrophobicContact CD2-CZ 4.05Å; Y4-F70 AromaticContact CE2-CE2 3.95Å; Y4-F70 HydrophobicContact CE2-CE2 3.95Å; Y4-F70 AromaticContact CE2-CZ 3.73Å; Y4-F70 HydrophobicContact CE2-CZ 3.73Å; Y4-V79 HydrophobicContact CD1-CG1 4.35Å; Y4-V79 HydrophobicContact CE1-CG1 3.79Å |
| 5 | H | 93.6 | Very high | 83.5 | Confident | 99 Ų | 99 | 71.9 Ų | 71.9 | 46% | 0.458 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.7 | 165.2 | -70.3 | -72.4 | 0 | 0 | 0 | 109.1 | G21 R22 K24 | H5-G21 CarbonylContact O-C 3.57Å; H5-G21 WeakPolarHBondContact O-CA 3.39Å; H5-R22 HydrophobicContact CB-CB 4.5Å; H5-R22 PolarHBondContact N-O 2.83Å; H5-R22 PolarHBondContact O-N 3.35Å; H5-K24 WeakPolarHBondContact NE2-CG 3.48Å |
| 6 | V | 93.5 | Very high | 83.4 | Confident | 65 Ų | 65 | 68.3 Ų | 68.3 | 39% | 0.394 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 130 | 170.8 | -173 | 0 | 0 | 0 | 0 | 108.2 | M1 Y19 L32 F34 | M1-V6 HydrophobicContact CE-CG2 3.48Å; M1-V6 VanDerWaalsContact CE-CG2 3.48Å; V6-Y19 HydrophobicContact CG1-CD1 3.68Å; V6-Y19 HydrophobicContact CG1-CD2 4.42Å; V6-Y19 HydrophobicContact CG1-CE1 4.47Å; V6-Y19 HydrophobicContact CG1-CG 3.66Å; V6-L32 HydrophobicContact CG2-CD2 4.46Å; V6-F34 HydrophobicContact CG2-CE2 4.45Å; V6-F34 HydrophobicContact CG2-CZ 3.99Å |
| 7 | L | 93.1 | Very high | 83.7 | Confident | 92 Ų | 92 | 71 Ų | 71 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -123.8 | 179 | -55.4 | 173 | 0 | 0 | 0 | 108.7 | K20 R22 | L7-K20 WeakPolarHBondContact CA-O 3.34Å; L7-K20 VanDerWaalsContact CB-O 3.24Å; L7-K20 WeakPolarHBondContact CB-O 3.48Å; L7-K20 HydrophobicContact CD1-CG 4.42Å; L7-K20 PolarHBondContact N-O 3.46Å; L7-R22 HydrophobicContact CD1-CB 4.34Å |
| 8 | N | 92.4 | Very high | 84.1 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 152.2 | -177.3 | 63.7 | -74.2 | 0 | 0 | 0 | 112.9 | Y19 K20 | N8-Y19 WeakPolarHBondContact O-CA 3.37Å; N8-K20 PolarHBondContact O-N 3.19Å |
| 9 | L | 91.6 | Very high | 84.6 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 40% | 0.398 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 135.7 | 170.1 | -174.6 | 70.7 | 0 | 0 | 0 | 109.8 | R17 V18 Y19 | L9-R17 HydrophobicContact CD1-CB 3.93Å; L9-R17 HydrophobicContact CD1-CG 4.37Å; L9-V18 WeakPolarHBondContact CD1-O 3.41Å; L9-Y19 HydrophobicContact CB-CD1 4.08Å; L9-Y19 HydrophobicContact CB-CE1 3.88Å; L9-Y19 HydrophobicContact CD1-CD1 4.18Å; L9-Y19 HydrophobicContact CD1-CD2 4.21Å; L9-Y19 HydrophobicContact CD1-CE1 3.84Å; L9-Y19 HydrophobicContact CD1-CE2 3.91Å; L9-Y19 HydrophobicContact CD1-CG 4.35Å; L9-Y19 HydrophobicContact CG-CE1 4.47Å |
| 10 | V | 86.5 | Confident | 85.1 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -40.7 | 178.4 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | V18 K20 Y82 | V10-V18 WeakPolarHBondContact CA-O 3.35Å; V10-V18 HydrophobicContact CB-CG1 4.4Å; V10-V18 WeakPolarHBondContact CB-O 3.5Å; V10-V18 PolarHBondContact N-O 3.21Å; V10-K20 HydrophobicContact CG2-CB 3.68Å; V10-K20 VanDerWaalsContact CG2-N 3.31Å; V10-Y82 HydrophobicContact CG1-CE2 4.4Å; V10-Y82 HydrophobicContact CG2-CE2 3.88Å |
| 11 | G | 79.8 | Confident | 85.6 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 157.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V18 | G11-V18 PolarHBondContact N-O 3.23Å; G11-V18 PolarHBondContact O-N 2.94Å |
| 12 | E | 78.5 | Confident | 86.3 | Confident | 100 Ų | 100 | 68.2 Ų | 68.2 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.4 | 175.3 | -179.9 | 168.4 | -150 | 0 | 0 | 108.3 | R17 | E12-R17 HydrophobicContact CB-CG 4.28Å; E12-R17 HydrophobicContact CG-CG 3.86Å; E12-R17 IonicContact OE1-CZ 3.82Å; E12-R17 IonicContact OE1-NE 2.82Å; E12-R17 PolarHBondContact OE1-NE 3.43Å; E12-R17 IonicContact OE1-NH2 3.5Å; E12-R17 PolarHBondContact OE1-NH2 2.93Å |
| 13 | G | 65.3 | Low | 86.6 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | -175.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F15 G16 | G13-F15 PolarHBondContact O-N 3.48Å; G13-G16 PolarHBondContact N-O 2.68Å; G13-G16 PolarHBondContact O-N 2.78Å |
| 14 | S | 60.4 | Low | 86.6 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.5 | -179.3 | 79.3 | 0 | 0 | 0 | 0 | 112.8 | G16 P384 | S14-G16 PolarHBondContact O-N 2.76Å; S14-P384 WeakPolarHBondContact OG-CB 3.41Å; S14-P384 WeakPolarHBondContact OG-CG 3.49Å |
| 15 | F | 65.3 | Low | 86.4 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 25% | 0.25 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 0.5 | 176.1 | -63.4 | -45.7 | 0 | 0 | 0 | 113.7 | G13 M35 R40 P384 | G13-F15 PolarHBondContact O-N 3.48Å; F15-M35 WeakPolarHBondContact O-CB 3.48Å; F15-M35 WeakPolarHBondContact O-CG 3.5Å; F15-R40 VanDerWaalsContact CA-NH2 3.26Å; F15-R40 PolarHBondContact O-NH2 3.16Å; F15-P384 HydrophobicContact CD2-CG 3.35Å; F15-P384 HydrophobicContact CE2-CB 4.36Å; F15-P384 HydrophobicContact CE2-CG 3.24Å; F15-P384 HydrophobicContact CG-CG 4.1Å; F15-P384 HydrophobicContact CZ-CG 3.89Å |
| 16 | G | 82 | Confident | 86.2 | Confident | 13 Ų | 13 | 74.3 Ų | 74.3 | 13% | 0.134 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 113.9 | -154.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | G13 S14 F34 | G13-G16 PolarHBondContact N-O 2.68Å; G13-G16 PolarHBondContact O-N 2.78Å; S14-G16 PolarHBondContact O-N 2.76Å; G16-F34 CarbonylContact C-O 3.51Å; G16-F34 VanDerWaalsContact CA-O 3.3Å; G16-F34 WeakPolarHBondContact CA-O 3.36Å |
| 17 | R | 89 | Confident | 85.9 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.7 | -167.7 | -65.1 | 176 | -171.6 | 129.6 | 4.5 | 111.4 | L9 E12 Y19 K33 F34 | L9-R17 HydrophobicContact CD1-CB 3.93Å; L9-R17 HydrophobicContact CD1-CG 4.37Å; E12-R17 HydrophobicContact CB-CG 4.28Å; E12-R17 HydrophobicContact CG-CG 3.86Å; E12-R17 IonicContact OE1-CZ 3.82Å; E12-R17 IonicContact OE1-NE 2.82Å; E12-R17 PolarHBondContact OE1-NE 3.43Å; E12-R17 IonicContact OE1-NH2 3.5Å; E12-R17 PolarHBondContact OE1-NH2 2.93Å; R17-Y19 HydrophobicContact CB-CD2 4.26Å; R17-Y19 HydrophobicContact CB-CE2 3.6Å; R17-K33 CarbonylContact O-C 3.57Å; R17-K33 WeakPolarHBondContact O-CA 3.46Å; R17-F34 PolarHBondContact N-O 2.77Å; R17-F34 PolarHBondContact O-N 3.09Å |
| 18 | V | 90.8 | Very high | 85.9 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 26% | 0.255 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.7 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | L9 V10 G11 A31 L32 K33 | L9-V18 WeakPolarHBondContact CD1-O 3.41Å; V10-V18 WeakPolarHBondContact CA-O 3.35Å; V10-V18 HydrophobicContact CB-CG1 4.4Å; V10-V18 WeakPolarHBondContact CB-O 3.5Å; V10-V18 PolarHBondContact N-O 3.21Å; G11-V18 PolarHBondContact N-O 3.23Å; G11-V18 PolarHBondContact O-N 2.94Å; V18-A31 HydrophobicContact CG1-CB 4.22Å; V18-L32 CarbonylContact C-O 3.58Å; V18-L32 WeakPolarHBondContact CA-O 3.46Å; V18-K33 HydrophobicContact CG2-CB 4.09Å; V18-K33 HydrophobicContact CG2-CG 3.92Å |
| 19 | Y | 93.6 | Very high | 85.9 | Confident | 60 Ų | 60 | 71.4 Ų | 71.4 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 144.4 | 175.1 | -67.4 | -97.7 | 0 | 0 | 0 | 110.7 | V6 N8 L9 R17 A31 L32 F34 | V6-Y19 HydrophobicContact CG1-CD1 3.68Å; V6-Y19 HydrophobicContact CG1-CD2 4.42Å; V6-Y19 HydrophobicContact CG1-CE1 4.47Å; V6-Y19 HydrophobicContact CG1-CG 3.66Å; N8-Y19 WeakPolarHBondContact O-CA 3.37Å; L9-Y19 HydrophobicContact CB-CD1 4.08Å; L9-Y19 HydrophobicContact CB-CE1 3.88Å; L9-Y19 HydrophobicContact CD1-CD1 4.18Å; L9-Y19 HydrophobicContact CD1-CD2 4.21Å; L9-Y19 HydrophobicContact CD1-CE1 3.84Å; L9-Y19 HydrophobicContact CD1-CE2 3.91Å; L9-Y19 HydrophobicContact CD1-CG 4.35Å; L9-Y19 HydrophobicContact CG-CE1 4.47Å; R17-Y19 HydrophobicContact CB-CD2 4.26Å; R17-Y19 HydrophobicContact CB-CE2 3.6Å; Y19-A31 CarbonylContact O-C 3.6Å; Y19-A31 WeakPolarHBondContact O-CA 3.36Å; Y19-L32 PolarHBondContact N-O 3.08Å; Y19-L32 PolarHBondContact O-N 3.42Å; Y19-F34 AromaticContact CD2-CD2 3.55Å; Y19-F34 HydrophobicContact CD2-CD2 3.55Å; Y19-F34 AromaticContact CD2-CE2 3.7Å; Y19-F34 HydrophobicContact CD2-CE2 3.7Å; Y19-F34 AromaticContact CE2-CD2 3.99Å; Y19-F34 HydrophobicContact CE2-CD2 3.99Å; Y19-F34 HydrophobicContact CE2-CE2 4.34Å; Y19-F34 HydrophobicContact CG-CE2 4.37Å |
| 20 | K | 94.5 | Very high | 86.1 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 141.1 | 161.7 | -169.6 | 173.8 | -173.4 | 166.8 | 0 | 107.4 | L7 N8 V10 V29 Y82 | L7-K20 WeakPolarHBondContact CA-O 3.34Å; L7-K20 VanDerWaalsContact CB-O 3.24Å; L7-K20 WeakPolarHBondContact CB-O 3.48Å; L7-K20 HydrophobicContact CD1-CG 4.42Å; L7-K20 PolarHBondContact N-O 3.46Å; N8-K20 PolarHBondContact O-N 3.19Å; V10-K20 HydrophobicContact CG2-CB 3.68Å; V10-K20 VanDerWaalsContact CG2-N 3.31Å; K20-V29 HydrophobicContact CD-CG1 4.48Å; K20-V29 HydrophobicContact CG-CG1 4.08Å; K20-Y82 HydrophobicContact CB-CE2 4.2Å; K20-Y82 HydrophobicContact CD-CE1 4.11Å; K20-Y82 HydrophobicContact CD-CE2 4.13Å; K20-Y82 HydrophobicContact CG-CD2 4.18Å; K20-Y82 HydrophobicContact CG-CE2 3.98Å |
| 21 | G | 95 | Very high | 86.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H5 V29 V30 | H5-G21 CarbonylContact O-C 3.57Å; H5-G21 WeakPolarHBondContact O-CA 3.39Å; G21-V29 WeakPolarHBondContact O-CA 3.34Å; G21-V30 PolarHBondContact N-O 2.93Å; G21-V30 PolarHBondContact O-N 3.23Å |
| 22 | R | 95.4 | Very high | 87.2 | Confident | 140 Ų | 140 | 63.4 Ų | 63.4 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 125.7 | 179.9 | -171.7 | 178.8 | -176.2 | -155.7 | -7.5 | 110.1 | H5 L7 K24 G27 K28 | H5-R22 HydrophobicContact CB-CB 4.5Å; H5-R22 PolarHBondContact N-O 2.83Å; H5-R22 PolarHBondContact O-N 3.35Å; L7-R22 HydrophobicContact CD1-CB 4.34Å; R22-K24 PolarHBondContact O-N 2.8Å; R22-G27 WeakPolarHBondContact CG-O 3.09Å; R22-G27 PolarHBondContact NE-O 2.86Å; R22-K28 CarbonylContact C-O 3.58Å; R22-K28 WeakPolarHBondContact CA-O 3.01Å |
| 23 | K | 93.9 | Very high | 87.8 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129.2 | 172.3 | -170.3 | 168.2 | -172.7 | 155.7 | 0 | 109.5 | Y4 T26 G27 K28 D68 | Y4-K23 HydrophobicContact CD1-CB 3.98Å; Y4-K23 HydrophobicContact CD1-CG 4.27Å; Y4-K23 HydrophobicContact CE1-CB 3.61Å; Y4-K23 HydrophobicContact CE1-CD 3.98Å; Y4-K23 HydrophobicContact CE1-CG 3.69Å; Y4-K23 PolarHBondContact OH-NZ 3.46Å; K23-T26 WeakPolarHBondContact CB-OG1 3.47Å; K23-G27 WeakPolarHBondContact O-CA 3.42Å; K23-G27 PolarHBondContact O-N 2.94Å; K23-K28 HydrophobicContact CB-CB 4.36Å; K23-K28 PolarHBondContact N-O 2.94Å; K23-D68 IonicContact NZ-OD2 2.7Å |
| 24 | K | 90.1 | Very high | 89 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 151.4 | 176.9 | -67.1 | -172.9 | -170.4 | 175.1 | 0 | 110.1 | D2 S3 H5 R22 T26 | D2-K24 WeakPolarHBondContact O-CD 3.42Å; D2-K24 WeakPolarHBondContact O-CE 3.48Å; D2-K24 PolarHBondContact O-NZ 2.79Å; S3-K24 WeakPolarHBondContact O-CB 3.33Å; S3-K24 WeakPolarHBondContact O-CG 3.14Å; S3-K24 PolarHBondContact O-N 2.78Å; H5-K24 WeakPolarHBondContact NE2-CG 3.48Å; R22-K24 PolarHBondContact O-N 2.8Å; K24-T26 PolarHBondContact O-N 2.84Å |
| 25 | F | 90.3 | Very high | 90.4 | Very high | 213 Ų | 213 | 56.9 Ų | 56.9 | 93% | 0.934 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | -46.2 | -178.8 | -47.2 | -73.4 | 0 | 0 | 0 | 116.1 | ||
| 26 | T | 90 | Very high | 91.4 | Very high | 97 Ų | 97 | 56.5 Ų | 56.5 | 60% | 0.595 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -26.6 | 178.4 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | K23 K24 K28 | K23-T26 WeakPolarHBondContact CB-OG1 3.47Å; K24-T26 PolarHBondContact O-N 2.84Å; T26-K28 PolarHBondContact O-N 2.82Å; T26-K28 PolarHBondContact OG1-N 3.07Å |
| 27 | G | 87.2 | Confident | 91.6 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | trans | 69.2 | 7.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R22 K23 V29 | R22-G27 WeakPolarHBondContact CG-O 3.09Å; R22-G27 PolarHBondContact NE-O 2.86Å; K23-G27 WeakPolarHBondContact O-CA 3.42Å; K23-G27 PolarHBondContact O-N 2.94Å; G27-V29 PolarHBondContact O-N 2.85Å | ||
| 28 | K | 91.5 | Very high | 91.2 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | trans | -61.8 | 130.1 | -180 | -169.4 | 176.9 | -173.7 | -179.6 | 0 | 110.6 | R22 K23 T26 F67 | R22-K28 CarbonylContact C-O 3.58Å; R22-K28 WeakPolarHBondContact CA-O 3.01Å; K23-K28 HydrophobicContact CB-CB 4.36Å; K23-K28 PolarHBondContact N-O 2.94Å; T26-K28 PolarHBondContact O-N 2.82Å; T26-K28 PolarHBondContact OG1-N 3.07Å; K28-F67 HydrophobicContact CD-CE2 4.33Å; K28-F67 HydrophobicContact CD-CZ 4.38Å | ||
| 29 | V | 93.5 | Very high | 90.3 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 134 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | K20 G21 G27 Y82 | K20-V29 HydrophobicContact CD-CG1 4.48Å; K20-V29 HydrophobicContact CG-CG1 4.08Å; G21-V29 WeakPolarHBondContact O-CA 3.34Å; G27-V29 PolarHBondContact O-N 2.85Å; V29-Y82 HydrophobicContact CG1-CD1 3.73Å; V29-Y82 HydrophobicContact CG1-CE1 4.46Å; V29-Y82 HydrophobicContact CG1-CG 3.95Å |
| 30 | V | 95.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.1 | -175.4 | -61.5 | 0 | 0 | 0 | 0 | 111 | Y4 G21 L32 F67 V79 T80 | Y4-V30 HydrophobicContact CD1-CG2 3.84Å; Y4-V30 HydrophobicContact CE1-CG1 4.3Å; Y4-V30 HydrophobicContact CE1-CG2 4Å; G21-V30 PolarHBondContact N-O 2.93Å; G21-V30 PolarHBondContact O-N 3.23Å; V30-L32 HydrophobicContact CG2-CD1 3.74Å; V30-L32 HydrophobicContact CG2-CG 4.41Å; V30-F67 HydrophobicContact CB-CD2 4.48Å; V30-F67 HydrophobicContact CG1-CD2 3.67Å; V30-F67 HydrophobicContact CG1-CE2 3.92Å; V30-V79 HydrophobicContact CB-CG1 3.84Å; V30-V79 HydrophobicContact CG1-CG1 4.2Å; V30-V79 HydrophobicContact CG2-CG1 3.92Å; V30-T80 WeakPolarHBondContact CA-O 3.21Å |
| 31 | A | 94.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V18 Y19 V79 T80 Y82 | V18-A31 HydrophobicContact CG1-CB 4.22Å; Y19-A31 CarbonylContact O-C 3.6Å; Y19-A31 WeakPolarHBondContact O-CA 3.36Å; A31-V79 CarbonylContact O-C 3.55Å; A31-V79 VanDerWaalsContact O-CA 3.3Å; A31-V79 WeakPolarHBondContact O-CA 3.3Å; A31-T80 PolarHBondContact N-O 3.02Å; A31-T80 PolarHBondContact O-N 3Å; A31-Y82 HydrophobicContact CB-CD2 4.24Å |
| 32 | L | 94.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 110.4 | 175.7 | -63 | 97.9 | 0 | 0 | 0 | 109.1 | M1 Y4 V6 V18 Y19 V30 F34 V77 V78 V79 | M1-L32 HydrophobicContact CE-CD2 3.55Å; M1-L32 HydrophobicContact SD-CD2 3.96Å; Y4-L32 HydrophobicContact CG-CD2 4.46Å; V6-L32 HydrophobicContact CG2-CD2 4.46Å; V18-L32 CarbonylContact C-O 3.58Å; V18-L32 WeakPolarHBondContact CA-O 3.46Å; Y19-L32 PolarHBondContact N-O 3.08Å; Y19-L32 PolarHBondContact O-N 3.42Å; V30-L32 HydrophobicContact CG2-CD1 3.74Å; V30-L32 HydrophobicContact CG2-CG 4.41Å; L32-F34 HydrophobicContact CB-CD2 4.23Å; L32-F34 HydrophobicContact CB-CE2 3.58Å; L32-F34 HydrophobicContact CB-CZ 4.31Å; L32-F34 HydrophobicContact CD2-CE2 4.4Å; L32-F34 HydrophobicContact CD2-CZ 4.34Å; L32-V77 HydrophobicContact CB-CG1 4.39Å; L32-V77 HydrophobicContact CD2-CG1 4.39Å; L32-V78 WeakPolarHBondContact CA-O 3.42Å; L32-V79 HydrophobicContact CD2-CG2 4.04Å; L32-V79 HydrophobicContact CG-CG1 4.49Å; L32-V79 HydrophobicContact CG-CG2 4.11Å |
| 33 | K | 92.1 | Very high | 86.4 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 107.3 | 177.2 | -175.3 | -180 | -179.6 | -171.5 | 0 | 108.8 | R17 V18 M35 E51 V77 V78 | R17-K33 CarbonylContact O-C 3.57Å; R17-K33 WeakPolarHBondContact O-CA 3.46Å; V18-K33 HydrophobicContact CG2-CB 4.09Å; V18-K33 HydrophobicContact CG2-CG 3.92Å; K33-M35 HydrophobicContact CD-CG 4.29Å; K33-M35 HydrophobicContact CD-SD 3.78Å; K33-M35 VanDerWaalsContact CE-SD 3.56Å; K33-M35 HydrophobicContact CG-CG 3.8Å; K33-M35 HydrophobicContact CG-SD 3.95Å; K33-E51 IonicContact NZ-OE1 3.45Å; K33-V77 CarbonylContact O-C 3.47Å; K33-V77 VanDerWaalsContact O-CA 3.29Å; K33-V77 WeakPolarHBondContact O-CA 3.43Å; K33-V78 HydrophobicContact CB-CB 4.43Å; K33-V78 PolarHBondContact N-O 2.96Å; K33-V78 PolarHBondContact O-N 2.95Å |
| 34 | F | 90.8 | Very high | 85.3 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 120.3 | 175.6 | -66.1 | -103 | 0 | 0 | 0 | 109 | M1 V6 G16 R17 Y19 L32 V77 | M1-F34 HydrophobicContact CE-CZ 4.17Å; V6-F34 HydrophobicContact CG2-CE2 4.45Å; V6-F34 HydrophobicContact CG2-CZ 3.99Å; G16-F34 CarbonylContact C-O 3.51Å; G16-F34 VanDerWaalsContact CA-O 3.3Å; G16-F34 WeakPolarHBondContact CA-O 3.36Å; R17-F34 PolarHBondContact N-O 2.77Å; R17-F34 PolarHBondContact O-N 3.09Å; Y19-F34 AromaticContact CD2-CD2 3.55Å; Y19-F34 HydrophobicContact CD2-CD2 3.55Å; Y19-F34 AromaticContact CD2-CE2 3.7Å; Y19-F34 HydrophobicContact CD2-CE2 3.7Å; Y19-F34 AromaticContact CE2-CD2 3.99Å; Y19-F34 HydrophobicContact CE2-CD2 3.99Å; Y19-F34 HydrophobicContact CE2-CE2 4.34Å; Y19-F34 HydrophobicContact CG-CE2 4.37Å; L32-F34 HydrophobicContact CB-CD2 4.23Å; L32-F34 HydrophobicContact CB-CE2 3.58Å; L32-F34 HydrophobicContact CB-CZ 4.31Å; L32-F34 HydrophobicContact CD2-CE2 4.4Å; L32-F34 HydrophobicContact CD2-CZ 4.34Å; F34-V77 HydrophobicContact CD1-CB 4.43Å; F34-V77 HydrophobicContact CD1-CG1 4.15Å; F34-V77 HydrophobicContact CD1-CG2 3.46Å; F34-V77 VanDerWaalsContact CD1-CG2 3.46Å; F34-V77 HydrophobicContact CD2-CG1 4.41Å; F34-V77 HydrophobicContact CE1-CG1 3.99Å; F34-V77 HydrophobicContact CE1-CG2 3.68Å; F34-V77 HydrophobicContact CE2-CG1 4.29Å; F34-V77 HydrophobicContact CG-CG1 4.35Å; F34-V77 HydrophobicContact CG-CG2 4.18Å; F34-V77 HydrophobicContact CZ-CG1 4.06Å |
| 35 | M | 89.2 | Confident | 84.8 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.02 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 109.9 | -172 | -55.5 | -173.9 | -80.4 | 0 | 0 | 108.1 | F15 K33 L48 E75 V76 V78 | F15-M35 WeakPolarHBondContact O-CB 3.48Å; F15-M35 WeakPolarHBondContact O-CG 3.5Å; K33-M35 HydrophobicContact CD-CG 4.29Å; K33-M35 HydrophobicContact CD-SD 3.78Å; K33-M35 VanDerWaalsContact CE-SD 3.56Å; K33-M35 HydrophobicContact CG-CG 3.8Å; K33-M35 HydrophobicContact CG-SD 3.95Å; M35-L48 HydrophobicContact CB-CD1 3.92Å; M35-L48 HydrophobicContact CE-CD1 3.6Å; M35-L48 HydrophobicContact CE-CD2 3.94Å; M35-L48 HydrophobicContact CE-CG 3.89Å; M35-L48 HydrophobicContact CG-CD1 4.27Å; M35-L48 HydrophobicContact SD-CD1 3.39Å; M35-L48 WeakPolarHBondContact SD-CD1 3.46Å; M35-L48 HydrophobicContact SD-CG 4.15Å; M35-E75 CarbonylContact O-C 3.42Å; M35-E75 VanDerWaalsContact O-CA 3.28Å; M35-E75 WeakPolarHBondContact O-CA 3.47Å; M35-V76 WeakPolarHBondContact CB-O 3.39Å; M35-V76 HydrophobicContact CE-CB 4.23Å; M35-V76 HydrophobicContact CE-CG1 4.07Å; M35-V76 PolarHBondContact N-O 3.36Å; M35-V76 PolarHBondContact O-N 3.48Å; M35-V78 HydrophobicContact CE-CB 3.98Å; M35-V78 HydrophobicContact CE-CG2 3.34Å |
| 36 | P | 86.4 | Confident | 84.3 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 138.4 | -179.2 | 26.8 | -33.2 | 0 | 0 | 0 | 110.4 | R40 | P36-R40 WeakPolarHBondContact O-CD 3.13Å; P36-R40 PolarHBondContact O-NE 2.85Å |
| 37 | K | 86.1 | Confident | 83.6 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | trans | -80.7 | -36.1 | 171.6 | -66.9 | 176.8 | 165.4 | -170.6 | 0 | 111.5 | G39 R40 L45 E71 T72 E73 T74 V76 | K37-G39 PolarHBondContact O-N 2.94Å; K37-R40 PolarHBondContact O-N 3.47Å; K37-R40 VanDerWaalsContact O-N 3.12Å; K37-L45 HydrophobicContact CB-CD2 4.31Å; K37-L45 HydrophobicContact CG-CD2 4.05Å; K37-E71 WeakPolarHBondContact CE-OE1 3.34Å; K37-E71 IonicContact NZ-OE1 3.26Å; K37-E71 PolarHBondContact NZ-OE1 3.34Å; K37-T72 VanDerWaalsContact CE-O 3.22Å; K37-T72 WeakPolarHBondContact CE-O 3.27Å; K37-T72 PolarHBondContact NZ-O 2.83Å; K37-E73 WeakPolarHBondContact CD-O 3.31Å; K37-T74 WeakPolarHBondContact CB-O 3.32Å; K37-T74 PolarHBondContact N-O 3.01Å; K37-V76 HydrophobicContact CG-CG2 4.26Å | ||
| 38 | V | 80.6 | Confident | 83.3 | Confident | 120 Ų | 120 | 51.1 Ų | 51.1 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127 | 179.1 | -176.8 | 0 | 0 | 0 | 0 | 110 | R40 | V38-R40 VanDerWaalsContact C-N 3.35Š|
| 39 | G | 72 | Confident | 83 | Confident | 83 Ų | 83 | 50.7 Ų | 50.7 | 86% | 0.856 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 8.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | K37 | K37-G39 PolarHBondContact O-N 2.94Š|
| 40 | R | 75.8 | Confident | 82.6 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | trans | -101.7 | 140.1 | 167.7 | -65.7 | -164.7 | -169.5 | -155.7 | 1.4 | 110.7 | F15 P36 K37 V38 E44 L45 | F15-R40 VanDerWaalsContact CA-NH2 3.26Å; F15-R40 PolarHBondContact O-NH2 3.16Å; P36-R40 WeakPolarHBondContact O-CD 3.13Å; P36-R40 PolarHBondContact O-NE 2.85Å; K37-R40 PolarHBondContact O-N 3.47Å; K37-R40 VanDerWaalsContact O-N 3.12Å; V38-R40 VanDerWaalsContact C-N 3.35Å; R40-E44 WeakPolarHBondContact CA-OE2 3.17Å; R40-E44 HydrophobicContact CB-CB 4.24Å; R40-L45 HydrophobicContact CB-CD2 4.26Å; R40-L45 HydrophobicContact CB-CG 4.25Å | ||
| 41 | T | 75.8 | Confident | 82.2 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | trans | -68.9 | 155.7 | 170.2 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | K43 E44 L45 | T41-K43 PolarHBondContact O-N 2.97Å; T41-E44 PolarHBondContact N-OE2 3.42Å; T41-E44 WeakPolarHBondContact O-CB 3.34Å; T41-E44 PolarHBondContact O-N 3.39Å; T41-E44 VanDerWaalsContact OG1-CG 3.3Å; T41-E44 WeakPolarHBondContact OG1-CG 3.26Å; T41-E44 PolarHBondContact OG1-N 3.31Å; T41-E44 PolarHBondContact OG1-OE2 3.08Å; T41-L45 PolarHBondContact O-N 2.96Å | ||
| 42 | E | 73.3 | Confident | 81.9 | Confident | 41 Ų | 41 | 54 Ų | 54 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.4 | -34.8 | 177.3 | -147.9 | -172.4 | -170.4 | 0 | 0 | 112.4 | E44 L45 R46 | E42-E44 VanDerWaalsContact C-N 3.34Å; E42-E44 PolarHBondContact O-N 3.11Å; E42-L45 PolarHBondContact O-N 3.37Å; E42-R46 VanDerWaalsContact CG-NH1 3.25Å; E42-R46 WeakPolarHBondContact O-CG 3.45Å; E42-R46 PolarHBondContact O-N 3.29Å; E42-R46 IonicContact OE1-NH1 3.67Å; E42-R46 IonicContact OE2-CZ 3.69Å; E42-R46 IonicContact OE2-NH1 2.79Å; E42-R46 PolarHBondContact OE2-NH1 3.07Å; E42-R46 IonicContact OE2-NH2 3.39Å |
| 43 | K | 70.6 | Confident | 81.7 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 172.8 | -171.4 | -166.8 | -176.7 | -159.5 | 0 | 112.3 | T41 S47 E381 | T41-K43 PolarHBondContact O-N 2.97Å; K43-S47 WeakPolarHBondContact O-CB 3.3Å; K43-S47 PolarHBondContact O-N 3.34Å; K43-E381 WeakPolarHBondContact CE-OE1 3.38Å; K43-E381 IonicContact NZ-OE1 2.78Å; K43-E381 PolarHBondContact NZ-OE1 3.46Å |
| 44 | E | 71.1 | Confident | 81.6 | Confident | 91 Ų | 91 | 58.3 Ų | 58.3 | 43% | 0.425 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.3 | -35.8 | 177.5 | -70.2 | 167.5 | 136.8 | 0 | 0 | 111.5 | R40 T41 E42 S47 L48 | R40-E44 WeakPolarHBondContact CA-OE2 3.17Å; R40-E44 HydrophobicContact CB-CB 4.24Å; T41-E44 PolarHBondContact N-OE2 3.42Å; T41-E44 WeakPolarHBondContact O-CB 3.34Å; T41-E44 PolarHBondContact O-N 3.39Å; T41-E44 VanDerWaalsContact OG1-CG 3.3Å; T41-E44 WeakPolarHBondContact OG1-CG 3.26Å; T41-E44 PolarHBondContact OG1-N 3.31Å; T41-E44 PolarHBondContact OG1-OE2 3.08Å; E42-E44 VanDerWaalsContact C-N 3.34Å; E42-E44 PolarHBondContact O-N 3.11Å; E44-S47 PolarHBondContact O-N 3.44Å; E44-L48 WeakPolarHBondContact O-CB 3.45Å; E44-L48 PolarHBondContact O-N 3.28Å |
| 45 | L | 80.7 | Confident | 81.6 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 173.4 | -67.2 | 175.5 | 0 | 0 | 0 | 111.9 | K37 R40 T41 E42 S47 L48 K49 | K37-L45 HydrophobicContact CB-CD2 4.31Å; K37-L45 HydrophobicContact CG-CD2 4.05Å; R40-L45 HydrophobicContact CB-CD2 4.26Å; R40-L45 HydrophobicContact CB-CG 4.25Å; T41-L45 PolarHBondContact O-N 2.96Å; E42-L45 PolarHBondContact O-N 3.37Å; L45-S47 VanDerWaalsContact C-N 3.32Å; L45-S47 PolarHBondContact O-N 3.21Å; L45-L48 WeakPolarHBondContact O-CB 3.46Å; L45-L48 PolarHBondContact O-N 3.31Å; L45-K49 PolarHBondContact O-N 2.82Å |
| 46 | R | 79.6 | Confident | 81.7 | Confident | 79 Ų | 79 | 66 Ų | 66 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 172.4 | -72.8 | -167.7 | -68.5 | -89.3 | 0.3 | 111.5 | E42 L48 K49 R50 E613 | E42-R46 VanDerWaalsContact CG-NH1 3.25Å; E42-R46 WeakPolarHBondContact O-CG 3.45Å; E42-R46 PolarHBondContact O-N 3.29Å; E42-R46 IonicContact OE1-NH1 3.67Å; E42-R46 IonicContact OE2-CZ 3.69Å; E42-R46 IonicContact OE2-NH1 2.79Å; E42-R46 PolarHBondContact OE2-NH1 3.07Å; E42-R46 IonicContact OE2-NH2 3.39Å; R46-L48 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 3.32Å; R46-K49 PolarHBondContact O-N 2.89Å; R46-R50 WeakPolarHBondContact O-CB 3.44Å; R46-R50 PolarHBondContact O-N 2.77Å; R46-E613 IonicContact CZ-OE2 3.52Å; R46-E613 IonicContact NH1-OE1 2.93Å; R46-E613 PolarHBondContact NH1-OE1 3.34Å; R46-E613 IonicContact NH1-OE2 3.42Å; R46-E613 PolarHBondContact NH1-OE2 2.88Å |
| 47 | S | 74.3 | Confident | 81.6 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.2 | -160.8 | 0 | 0 | 0 | 0 | 112 | K43 E44 L45 R50 E51 | K43-S47 WeakPolarHBondContact O-CB 3.3Å; K43-S47 PolarHBondContact O-N 3.34Å; E44-S47 PolarHBondContact O-N 3.44Å; L45-S47 VanDerWaalsContact C-N 3.32Å; L45-S47 PolarHBondContact O-N 3.21Å; S47-R50 PolarHBondContact O-N 2.81Å; S47-E51 PolarHBondContact O-N 2.8Å |
| 48 | L | 81.8 | Confident | 81.9 | Confident | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 177.7 | -177.2 | 149.7 | 0 | 0 | 0 | 112.5 | M35 E44 L45 R46 R50 E51 I52 V76 | M35-L48 HydrophobicContact CB-CD1 3.92Å; M35-L48 HydrophobicContact CE-CD1 3.6Å; M35-L48 HydrophobicContact CE-CD2 3.94Å; M35-L48 HydrophobicContact CE-CG 3.89Å; M35-L48 HydrophobicContact CG-CD1 4.27Å; M35-L48 HydrophobicContact SD-CD1 3.39Å; M35-L48 WeakPolarHBondContact SD-CD1 3.46Å; M35-L48 HydrophobicContact SD-CG 4.15Å; E44-L48 WeakPolarHBondContact O-CB 3.45Å; E44-L48 PolarHBondContact O-N 3.28Å; L45-L48 WeakPolarHBondContact O-CB 3.46Å; L45-L48 PolarHBondContact O-N 3.31Å; R46-L48 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 3.32Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-E51 WeakPolarHBondContact O-CB 3.39Å; L48-E51 PolarHBondContact O-N 2.82Å; L48-I52 HydrophobicContact CD2-CD1 3.78Å; L48-I52 WeakPolarHBondContact O-CG1 3.23Å; L48-I52 PolarHBondContact O-N 2.89Å; L48-I52 VanDerWaalsContact O-N 3.12Å; L48-V76 HydrophobicContact CD2-CB 3.77Å; L48-V76 HydrophobicContact CD2-CG1 3.6Å; L48-V76 HydrophobicContact CD2-CG2 3.85Å |
| 49 | K | 85.1 | Confident | 82.4 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 39% | 0.391 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 172.5 | -73.4 | 179.8 | 178.3 | 177 | 0 | 111 | L45 R46 E51 I52 E53 | L45-K49 PolarHBondContact O-N 2.82Å; R46-K49 PolarHBondContact O-N 2.89Å; K49-E51 VanDerWaalsContact C-N 3.35Å; K49-E51 PolarHBondContact O-N 2.74Å; K49-I52 WeakPolarHBondContact O-CB 3.33Å; K49-I52 PolarHBondContact O-N 3.48Å; K49-I52 VanDerWaalsContact O-N 3.16Å; K49-E53 WeakPolarHBondContact O-CG 3.35Å; K49-E53 PolarHBondContact O-N 2.91Å |
| 50 | R | 84.3 | Confident | 83.5 | Confident | 102 Ų | 102 | 67.7 Ų | 67.7 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 176 | -168.3 | -176.7 | -63.2 | 135 | 2.1 | 112.9 | R46 S47 L48 I52 E53 I54 | R46-R50 WeakPolarHBondContact O-CB 3.44Å; R46-R50 PolarHBondContact O-N 2.77Å; S47-R50 PolarHBondContact O-N 2.81Å; L48-R50 VanDerWaalsContact C-N 3.33Å; R50-I52 VanDerWaalsContact C-N 3.34Å; R50-E53 PolarHBondContact O-N 3.21Å; R50-I54 HydrophobicContact CG-CD1 4.29Å; R50-I54 WeakPolarHBondContact O-CG1 2.89Å; R50-I54 PolarHBondContact O-N 2.81Å |
| 51 | E | 87.4 | Confident | 84.4 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 173.1 | 178.1 | -177.1 | 171.7 | 0 | 0 | 110.6 | K33 S47 L48 K49 E53 I54 M55 F144 | K33-E51 IonicContact NZ-OE1 3.45Å; S47-E51 PolarHBondContact O-N 2.8Å; L48-E51 WeakPolarHBondContact O-CB 3.39Å; L48-E51 PolarHBondContact O-N 2.82Å; K49-E51 VanDerWaalsContact C-N 3.35Å; K49-E51 PolarHBondContact O-N 2.74Å; E51-E53 PolarHBondContact O-N 2.68Å; E51-I54 PolarHBondContact O-N 2.8Å; E51-M55 HydrophobicContact CG-SD 4.33Å; E51-M55 WeakPolarHBondContact O-CG 3.18Å; E51-M55 PolarHBondContact O-N 2.9Å; E51-M55 VanDerWaalsContact O-N 3.1Å; E51-F144 HydrophobicContact CG-CB 3.95Å |
| 52 | I | 89.5 | Confident | 85.4 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 179 | -64.4 | 168.5 | 0 | 0 | 0 | 111.1 | L48 K49 R50 M55 R56 L66 V76 V78 | L48-I52 HydrophobicContact CD2-CD1 3.78Å; L48-I52 WeakPolarHBondContact O-CG1 3.23Å; L48-I52 PolarHBondContact O-N 2.89Å; L48-I52 VanDerWaalsContact O-N 3.12Å; K49-I52 WeakPolarHBondContact O-CB 3.33Å; K49-I52 PolarHBondContact O-N 3.48Å; K49-I52 VanDerWaalsContact O-N 3.16Å; R50-I52 VanDerWaalsContact C-N 3.34Å; I52-M55 PolarHBondContact O-N 2.46Å; I52-R56 PolarHBondContact O-N 3.43Å; I52-R56 VanDerWaalsContact O-N 3.08Å; I52-L66 HydrophobicContact CG2-CD2 4.08Å; I52-V76 HydrophobicContact CD1-CG1 3.77Å; I52-V78 HydrophobicContact CD1-CG2 3.54Å; I52-V78 HydrophobicContact CG1-CG2 3.61Å |
| 53 | E | 89.9 | Confident | 86.5 | Confident | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 177.2 | -74.3 | 168.7 | -173.8 | 0 | 0 | 112.2 | K49 R50 E51 M55 R56 | K49-E53 WeakPolarHBondContact O-CG 3.35Å; K49-E53 PolarHBondContact O-N 2.91Å; R50-E53 PolarHBondContact O-N 3.21Å; E51-E53 PolarHBondContact O-N 2.68Å; E53-M55 VanDerWaalsContact C-N 3.27Å; E53-M55 PolarHBondContact O-N 3.31Å; E53-R56 WeakPolarHBondContact O-CB 3.43Å; E53-R56 PolarHBondContact O-N 2.75Å |
| 54 | I | 89.4 | Confident | 87.7 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 176.7 | -72.1 | 171.2 | 0 | 0 | 0 | 110.1 | R50 E51 R56 L58 I121 F144 A147 | R50-I54 HydrophobicContact CG-CD1 4.29Å; R50-I54 WeakPolarHBondContact O-CG1 2.89Å; R50-I54 PolarHBondContact O-N 2.81Å; E51-I54 PolarHBondContact O-N 2.8Å; I54-R56 VanDerWaalsContact C-N 3.31Å; I54-R56 PolarHBondContact O-N 2.92Å; I54-L58 HydrophobicContact CG2-CD1 4.17Å; I54-L58 VanDerWaalsContact O-CG 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; I54-I121 HydrophobicContact CG2-CD1 4.29Å; I54-I121 HydrophobicContact CG2-CG2 4.06Å; I54-F144 HydrophobicContact CG2-CD1 4.06Å; I54-A147 HydrophobicContact CD1-CB 3.91Å; I54-A147 HydrophobicContact CG2-CB 4.34Å |
| 55 | M | 91.5 | Very high | 88.8 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.8 | -21.2 | -178 | -69 | -177.4 | 69.7 | 0 | 0 | 114.3 | E51 I52 E53 D57 L58 V64 L66 T80 F144 | E51-M55 HydrophobicContact CG-SD 4.33Å; E51-M55 WeakPolarHBondContact O-CG 3.18Å; E51-M55 PolarHBondContact O-N 2.9Å; E51-M55 VanDerWaalsContact O-N 3.1Å; I52-M55 PolarHBondContact O-N 2.46Å; E53-M55 VanDerWaalsContact C-N 3.27Å; E53-M55 PolarHBondContact O-N 3.31Å; M55-D57 VanDerWaalsContact C-N 3.33Å; M55-D57 PolarHBondContact O-N 3.47Å; M55-L58 PolarHBondContact O-N 2.94Å; M55-V64 HydrophobicContact CE-CG1 4.36Å; M55-L66 HydrophobicContact CB-CB 4.1Å; M55-L66 HydrophobicContact CB-CD2 4.27Å; M55-L66 HydrophobicContact CE-CB 4.5Å; M55-T80 HydrophobicContact CE-CG2 3.83Å; M55-F144 HydrophobicContact CE-CD2 4.27Å; M55-F144 HydrophobicContact CG-CB 4.06Å; M55-F144 HydrophobicContact CG-CD2 3.58Å; M55-F144 HydrophobicContact CG-CE2 4.28Å; M55-F144 HydrophobicContact CG-CG 3.93Å; M55-F144 HydrophobicContact SD-CB 4.43Å; M55-F144 HydrophobicContact SD-CD2 3.85Å |
| 56 | R | 90.1 | Very high | 89.5 | Confident | 186 Ų | 186 | 56.4 Ų | 56.4 | 70% | 0.702 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.2 | -37.7 | -170.6 | -168.2 | 175.5 | -176 | 166.3 | 0.4 | 113.6 | I52 E53 I54 L66 | I52-R56 PolarHBondContact O-N 3.43Å; I52-R56 VanDerWaalsContact O-N 3.08Å; E53-R56 WeakPolarHBondContact O-CB 3.43Å; E53-R56 PolarHBondContact O-N 2.75Å; I54-R56 VanDerWaalsContact C-N 3.31Å; I54-R56 PolarHBondContact O-N 2.92Å; R56-L66 HydrophobicContact CB-CD2 4.32Å |
| 57 | D | 84 | Confident | 90.1 | Very high | 125 Ų | 125 | 54.7 Ų | 54.7 | 67% | 0.668 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -101.7 | -3.4 | -174.6 | -63.5 | -33.9 | 0 | 0 | 0 | 113.3 | M55 R59 | M55-D57 VanDerWaalsContact C-N 3.33Å; M55-D57 PolarHBondContact O-N 3.47Å; D57-R59 PolarHBondContact O-N 3.38Å |
| 58 | L | 91.9 | Very high | 91 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | trans | -77.9 | 121.4 | 179.9 | -63.2 | 177.4 | 0 | 0 | 0 | 111.7 | I54 M55 I63 Y115 L116 I121 F144 | I54-L58 HydrophobicContact CG2-CD1 4.17Å; I54-L58 VanDerWaalsContact O-CG 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.34Å; M55-L58 PolarHBondContact O-N 2.94Å; L58-I63 HydrophobicContact CD1-CG2 4.44Å; L58-Y115 HydrophobicContact CB-CE1 4.34Å; L58-Y115 HydrophobicContact CD2-CD1 4.4Å; L58-Y115 HydrophobicContact CD2-CE1 3.72Å; L58-L116 HydrophobicContact CD1-CD2 3.79Å; L58-L116 HydrophobicContact CD2-CD2 3.85Å; L58-L116 HydrophobicContact CG-CD2 4.49Å; L58-I121 HydrophobicContact CD2-CD1 3.8Å; L58-F144 HydrophobicContact CD1-CD1 4.33Å; L58-F144 HydrophobicContact CD1-CE1 3.76Å; L58-F144 HydrophobicContact CD1-CE2 4.49Å; L58-F144 HydrophobicContact CD1-CZ 3.86Å | ||
| 59 | R | 92.4 | Very high | 91.6 | Very high | 181 Ų | 181 | 58.1 Ų | 58.1 | 68% | 0.683 | 27% | 0.269 | S | S | * | . | trans | -132.6 | 92.2 | 177.8 | -62.3 | -174.9 | -175 | -161.1 | 3 | 110.4 | D57 Y115 | D57-R59 PolarHBondContact O-N 3.38Å; R59-Y115 PolarHBondContact N-OH 3.41Å | ||
| 60 | H | 95.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 56.3 Ų | 56.3 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | trans | -144 | 139.8 | -179.9 | -169.2 | -91.2 | 0 | 0 | 0 | 111 | N62 I63 S111 Y115 | H60-N62 PolarHBondContact ND1-N 3.3Å; H60-N62 PolarHBondContact O-N 2.53Å; H60-I63 HydrophobicContact CB-CB 4.05Å; H60-I63 HydrophobicContact CB-CD1 3.78Å; H60-I63 HydrophobicContact CB-CG1 3.92Å; H60-I63 PolarHBondContact O-N 3.36Å; H60-I63 VanDerWaalsContact O-O 3.14Å; H60-S111 PolarHBondContact CE1-OG 3.31Å; H60-S111 PolarHBondContact NE2-OG 2.95Å; H60-Y115 HydrophobicContact CB-CD1 3.73Å; H60-Y115 HydrophobicContact CB-CE1 3.94Å; H60-Y115 HydrophobicContact CB-CG 4.02Å; H60-Y115 AromaticContact CD2-CD2 3.87Å; H60-Y115 AromaticContact CD2-CG 3.59Å; H60-Y115 AromaticContact CG-CG 3.99Å | ||
| 61 | P | 94.8 | Very high | 92 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.4 | -179.2 | 22.7 | -33.2 | 0 | 0 | 0 | 113.3 | K140 L259 | P61-K140 WeakPolarHBondContact O-CD 3.43Å; P61-K140 WeakPolarHBondContact O-CE 3.09Å; P61-K140 PolarHBondContact O-NZ 3.31Å; P61-L259 HydrophobicContact CG-CD2 3.47Å; P61-L259 VanDerWaalsContact CG-CD2 3.47Å |
| 62 | N | 96.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.053 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 14.2 | 179.7 | -56.4 | 111.1 | 0 | 0 | 0 | 115.3 | H60 Q108 A112 V139 L141 | H60-N62 PolarHBondContact ND1-N 3.3Å; H60-N62 PolarHBondContact O-N 2.53Å; N62-Q108 HydrophobicContact CB-CB 4.49Å; N62-Q108 WeakPolarHBondContact CB-O 3.49Å; N62-Q108 WeakPolarHBondContact ND2-CB 3.36Å; N62-Q108 PolarHBondContact ND2-OE1 3.14Å; N62-A112 HydrophobicContact CB-CB 3.97Å; N62-V139 WeakPolarHBondContact CA-O 3.2Å; N62-V139 WeakPolarHBondContact CB-O 3.49Å; N62-V139 PolarHBondContact ND2-O 3.15Å; N62-L141 PolarHBondContact O-N 3.45Å |
| 63 | I | 96.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -121.6 | 140.5 | 173.6 | -62.3 | 175 | 0 | 0 | 0 | 108.1 | L58 H60 Q65 A112 Y115 L116 F144 | L58-I63 HydrophobicContact CD1-CG2 4.44Å; H60-I63 HydrophobicContact CB-CB 4.05Å; H60-I63 HydrophobicContact CB-CD1 3.78Å; H60-I63 HydrophobicContact CB-CG1 3.92Å; H60-I63 PolarHBondContact O-N 3.36Å; H60-I63 VanDerWaalsContact O-O 3.14Å; I63-Q65 PolarHBondContact O-N 2.83Å; I63-A112 HydrophobicContact CD1-CB 4.44Å; I63-A112 HydrophobicContact CG1-CB 3.95Å; I63-Y115 HydrophobicContact CD1-CD1 3.65Å; I63-Y115 HydrophobicContact CD1-CE1 4.25Å; I63-L116 HydrophobicContact CD1-CD1 4.29Å; I63-L116 HydrophobicContact CD1-CD2 3.8Å; I63-L116 HydrophobicContact CD1-CG 3.76Å; I63-F144 HydrophobicContact CG2-CE2 3.85Å; I63-F144 HydrophobicContact CG2-CZ 3.57Å |
| 64 | V | 94.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -62 | 119.4 | 174.6 | 168.6 | 0 | 0 | 0 | 0 | 109.8 | M55 T80 E81 L132 K140 L141 C142 | M55-V64 HydrophobicContact CE-CG1 4.36Å; V64-T80 HydrophobicContact CG1-CG2 3.94Å; V64-E81 HydrophobicContact CG1-CB 4.43Å; V64-L132 HydrophobicContact CG2-CD1 3.97Å; V64-K140 HydrophobicContact CG2-CB 3.82Å; V64-L141 PolarHBondContact N-O 2.83Å; V64-C142 HydrophobicContact CB-CB 4.13Å; V64-C142 HydrophobicContact CG2-CB 3.57Å |
| 65 | Q | 94.6 | Very high | 91.3 | Very high | 77 Ų | 77 | 66.8 Ų | 66.8 | 36% | 0.36 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -78 | 132.4 | 179 | -172.3 | 174 | 9.1 | 0 | 0 | 111.5 | I63 F67 T80 E81 | I63-Q65 PolarHBondContact O-N 2.83Å; Q65-F67 HydrophobicContact CB-CE1 4.05Å; Q65-F67 HydrophobicContact CB-CZ 4.48Å; Q65-F67 HydrophobicContact CG-CD1 4.13Å; Q65-F67 HydrophobicContact CG-CE1 3.8Å; Q65-T80 CarbonylContact O-C 3.52Å; Q65-T80 VanDerWaalsContact O-CA 3.26Å; Q65-T80 WeakPolarHBondContact O-CA 3.44Å; Q65-T80 WeakPolarHBondContact O-CB 3.24Å; Q65-E81 HydrophobicContact CB-CB 4.44Å; Q65-E81 PolarHBondContact O-N 3.02Å |
| 66 | L | 95.1 | Very high | 91.3 | Very high | 24 Ų | 24 | 66.7 Ų | 66.7 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 129.7 | 165.5 | -175.7 | 69.5 | 0 | 0 | 0 | 109.9 | I52 M55 R56 V78 T80 | I52-L66 HydrophobicContact CG2-CD2 4.08Å; M55-L66 HydrophobicContact CB-CB 4.1Å; M55-L66 HydrophobicContact CB-CD2 4.27Å; M55-L66 HydrophobicContact CE-CB 4.5Å; R56-L66 HydrophobicContact CB-CD2 4.32Å; L66-V78 HydrophobicContact CD1-CG1 3.63Å; L66-T80 HydrophobicContact CD1-CG2 4.07Å |
| 67 | F | 93.2 | Very high | 91.4 | Very high | 42 Ų | 42 | 58 Ų | 58 | 18% | 0.184 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -44.9 | 175 | -64.3 | -38.9 | 0 | 0 | 0 | 113 | K28 V30 Q65 V79 E81 | K28-F67 HydrophobicContact CD-CE2 4.33Å; K28-F67 HydrophobicContact CD-CZ 4.38Å; V30-F67 HydrophobicContact CB-CD2 4.48Å; V30-F67 HydrophobicContact CG1-CD2 3.67Å; V30-F67 HydrophobicContact CG1-CE2 3.92Å; Q65-F67 HydrophobicContact CB-CE1 4.05Å; Q65-F67 HydrophobicContact CB-CZ 4.48Å; Q65-F67 HydrophobicContact CG-CD1 4.13Å; Q65-F67 HydrophobicContact CG-CE1 3.8Å; F67-V79 HydrophobicContact CB-CG1 4.37Å; F67-V79 PolarHBondContact N-O 2.85Å; F67-E81 HydrophobicContact CE2-CB 4.11Å; F67-E81 HydrophobicContact CZ-CB 3.96Å; F67-E81 HydrophobicContact CZ-CG 4.42Å |
| 68 | D | 93.1 | Very high | 91.8 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 160.1 | 179.8 | -78.6 | -45.8 | 0 | 0 | 0 | 109.5 | Y4 K23 F70 V79 | Y4-D68 WeakPolarHBondContact CE2-OD2 3.24Å; Y4-D68 VanDerWaalsContact CZ-OD2 3.3Å; Y4-D68 PolarHBondContact OH-OD2 3.46Å; K23-D68 IonicContact NZ-OD2 2.7Å; D68-F70 HydrophobicContact CB-CE1 4.46Å; D68-F70 HydrophobicContact CB-CE2 4.01Å; D68-F70 HydrophobicContact CB-CZ 3.73Å; D68-V79 HydrophobicContact CB-CB 4.11Å; D68-V79 HydrophobicContact CB-CG2 4.32Å; D68-V79 PolarHBondContact N-O 3.45Å; D68-V79 WeakPolarHBondContact O-CA 3.47Å; D68-V79 WeakPolarHBondContact O-CB 3.43Å; D68-V79 PolarHBondContact O-N 3.27Å |
| 69 | S | 93.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140.9 | 167.3 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | V77 | S69-V77 CarbonylContact C-O 3.53Å; S69-V77 WeakPolarHBondContact CA-O 3.27Å |
| 70 | F | 90.3 | Very high | 92.1 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.9 | 177 | -50.3 | -72.5 | 0 | 0 | 0 | 109.4 | M1 Y4 D68 V76 V77 V79 | M1-F70 HydrophobicContact SD-CD2 4.29Å; M1-F70 HydrophobicContact SD-CE2 4.33Å; Y4-F70 HydrophobicContact CD2-CE2 4.01Å; Y4-F70 HydrophobicContact CD2-CZ 4.05Å; Y4-F70 AromaticContact CE2-CE2 3.95Å; Y4-F70 HydrophobicContact CE2-CE2 3.95Å; Y4-F70 AromaticContact CE2-CZ 3.73Å; Y4-F70 HydrophobicContact CE2-CZ 3.73Å; D68-F70 HydrophobicContact CB-CE1 4.46Å; D68-F70 HydrophobicContact CB-CE2 4.01Å; D68-F70 HydrophobicContact CB-CZ 3.73Å; F70-V76 CarbonylContact O-C 3.41Å; F70-V77 HydrophobicContact CB-CB 4.26Å; F70-V77 HydrophobicContact CD2-CB 4.3Å; F70-V77 HydrophobicContact CD2-CG1 4.41Å; F70-V77 PolarHBondContact N-O 3.42Å; F70-V77 PolarHBondContact O-N 3.18Å; F70-V79 HydrophobicContact CD2-CG2 4.15Å; F70-V79 HydrophobicContact CE2-CG2 3.66Å |
| 71 | E | 89.1 | Confident | 92 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 51% | 0.514 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125.5 | 173.8 | -175.3 | 165.3 | -173.9 | 0 | 0 | 107.8 | K37 V76 | K37-E71 WeakPolarHBondContact CE-OE1 3.34Å; K37-E71 IonicContact NZ-OE1 3.26Å; K37-E71 PolarHBondContact NZ-OE1 3.34Å; E71-V76 HydrophobicContact CG-CG2 4.25Å |
| 72 | T | 83.9 | Confident | 91.9 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 39% | 0.387 | 24% | 0.235 | S | C | . | . | trans | -108.3 | 174.9 | 170.6 | 70.3 | 0 | 0 | 0 | 0 | 108.9 | K37 T74 E75 | K37-T72 VanDerWaalsContact CE-O 3.22Å; K37-T72 WeakPolarHBondContact CE-O 3.27Å; K37-T72 PolarHBondContact NZ-O 2.83Å; T72-T74 PolarHBondContact O-N 3.23Å; T72-T74 PolarHBondContact OG1-N 3.46Å; T72-E75 PolarHBondContact N-O 2.9Å; T72-E75 PolarHBondContact OG1-N 3.31Å; T72-E75 PolarHBondContact OG1-O 3.26Å; T72-E75 VanDerWaalsContact OG1-O 3.1Å | ||
| 73 | E | 82.4 | Confident | 91.7 | Very high | 187 Ų | 187 | 46.3 Ų | 46.3 | 87% | 0.874 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -56.4 | -34.6 | 174.4 | -69.5 | 174.5 | -173.9 | 0 | 0 | 112.2 | K37 | K37-E73 WeakPolarHBondContact CD-O 3.31Š|
| 74 | T | 85.2 | Confident | 91.2 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -111.1 | -18.1 | -170.2 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | K37 T72 | K37-T74 WeakPolarHBondContact CB-O 3.32Å; K37-T74 PolarHBondContact N-O 3.01Å; T72-T74 PolarHBondContact O-N 3.23Å; T72-T74 PolarHBondContact OG1-N 3.46Å |
| 75 | E | 89.4 | Confident | 90.9 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 153.2 | -172 | -57.4 | -172.8 | 137.8 | 0 | 0 | 112.5 | M35 T72 | M35-E75 CarbonylContact O-C 3.42Å; M35-E75 VanDerWaalsContact O-CA 3.28Å; M35-E75 WeakPolarHBondContact O-CA 3.47Å; T72-E75 PolarHBondContact N-O 2.9Å; T72-E75 PolarHBondContact OG1-N 3.31Å; T72-E75 PolarHBondContact OG1-O 3.26Å; T72-E75 VanDerWaalsContact OG1-O 3.1Å |
| 76 | V | 90.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.5 | 163.6 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | M35 K37 L48 I52 F70 E71 V78 | M35-V76 WeakPolarHBondContact CB-O 3.39Å; M35-V76 HydrophobicContact CE-CB 4.23Å; M35-V76 HydrophobicContact CE-CG1 4.07Å; M35-V76 PolarHBondContact N-O 3.36Å; M35-V76 PolarHBondContact O-N 3.48Å; K37-V76 HydrophobicContact CG-CG2 4.26Å; L48-V76 HydrophobicContact CD2-CB 3.77Å; L48-V76 HydrophobicContact CD2-CG1 3.6Å; L48-V76 HydrophobicContact CD2-CG2 3.85Å; I52-V76 HydrophobicContact CD1-CG1 3.77Å; F70-V76 CarbonylContact O-C 3.41Å; E71-V76 HydrophobicContact CG-CG2 4.25Å; V76-V78 HydrophobicContact CG1-CG2 4.49Å |
| 77 | V | 92.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115.9 | -178.8 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | L32 K33 F34 S69 F70 | L32-V77 HydrophobicContact CB-CG1 4.39Å; L32-V77 HydrophobicContact CD2-CG1 4.39Å; K33-V77 CarbonylContact O-C 3.47Å; K33-V77 VanDerWaalsContact O-CA 3.29Å; K33-V77 WeakPolarHBondContact O-CA 3.43Å; F34-V77 HydrophobicContact CD1-CB 4.43Å; F34-V77 HydrophobicContact CD1-CG1 4.15Å; F34-V77 HydrophobicContact CD1-CG2 3.46Å; F34-V77 VanDerWaalsContact CD1-CG2 3.46Å; F34-V77 HydrophobicContact CD2-CG1 4.41Å; F34-V77 HydrophobicContact CE1-CG1 3.99Å; F34-V77 HydrophobicContact CE1-CG2 3.68Å; F34-V77 HydrophobicContact CE2-CG1 4.29Å; F34-V77 HydrophobicContact CG-CG1 4.35Å; F34-V77 HydrophobicContact CG-CG2 4.18Å; F34-V77 HydrophobicContact CZ-CG1 4.06Å; S69-V77 CarbonylContact C-O 3.53Å; S69-V77 WeakPolarHBondContact CA-O 3.27Å; F70-V77 HydrophobicContact CB-CB 4.26Å; F70-V77 HydrophobicContact CD2-CB 4.3Å; F70-V77 HydrophobicContact CD2-CG1 4.41Å; F70-V77 PolarHBondContact N-O 3.42Å; F70-V77 PolarHBondContact O-N 3.18Å |
| 78 | V | 93.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.2 | 177.4 | 168.1 | 0 | 0 | 0 | 0 | 109.4 | L32 K33 M35 I52 L66 V76 T80 | L32-V78 WeakPolarHBondContact CA-O 3.42Å; K33-V78 HydrophobicContact CB-CB 4.43Å; K33-V78 PolarHBondContact N-O 2.96Å; K33-V78 PolarHBondContact O-N 2.95Å; M35-V78 HydrophobicContact CE-CB 3.98Å; M35-V78 HydrophobicContact CE-CG2 3.34Å; I52-V78 HydrophobicContact CD1-CG2 3.54Å; I52-V78 HydrophobicContact CG1-CG2 3.61Å; L66-V78 HydrophobicContact CD1-CG1 3.63Å; V76-V78 HydrophobicContact CG1-CG2 4.49Å; V78-T80 HydrophobicContact CG1-CG2 3.75Å |
| 79 | V | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.3 | -179.6 | -173.8 | 0 | 0 | 0 | 0 | 110 | Y4 V30 A31 L32 F67 D68 F70 | Y4-V79 HydrophobicContact CD1-CG1 4.35Å; Y4-V79 HydrophobicContact CE1-CG1 3.79Å; V30-V79 HydrophobicContact CB-CG1 3.84Å; V30-V79 HydrophobicContact CG1-CG1 4.2Å; V30-V79 HydrophobicContact CG2-CG1 3.92Å; A31-V79 CarbonylContact O-C 3.55Å; A31-V79 VanDerWaalsContact O-CA 3.3Å; A31-V79 WeakPolarHBondContact O-CA 3.3Å; L32-V79 HydrophobicContact CD2-CG2 4.04Å; L32-V79 HydrophobicContact CG-CG1 4.49Å; L32-V79 HydrophobicContact CG-CG2 4.11Å; F67-V79 HydrophobicContact CB-CG1 4.37Å; F67-V79 PolarHBondContact N-O 2.85Å; D68-V79 HydrophobicContact CB-CB 4.11Å; D68-V79 HydrophobicContact CB-CG2 4.32Å; D68-V79 PolarHBondContact N-O 3.45Å; D68-V79 WeakPolarHBondContact O-CA 3.47Å; D68-V79 WeakPolarHBondContact O-CB 3.43Å; D68-V79 PolarHBondContact O-N 3.27Å; F70-V79 HydrophobicContact CD2-CG2 4.15Å; F70-V79 HydrophobicContact CE2-CG2 3.66Å |
| 80 | T | 95.1 | Very high | 89.2 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 172.9 | -175.4 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | V30 A31 M55 V64 Q65 L66 V78 Y82 | V30-T80 WeakPolarHBondContact CA-O 3.21Å; A31-T80 PolarHBondContact N-O 3.02Å; A31-T80 PolarHBondContact O-N 3Å; M55-T80 HydrophobicContact CE-CG2 3.83Å; V64-T80 HydrophobicContact CG1-CG2 3.94Å; Q65-T80 CarbonylContact O-C 3.52Å; Q65-T80 VanDerWaalsContact O-CA 3.26Å; Q65-T80 WeakPolarHBondContact O-CA 3.44Å; Q65-T80 WeakPolarHBondContact O-CB 3.24Å; L66-T80 HydrophobicContact CD1-CG2 4.07Å; V78-T80 HydrophobicContact CG1-CG2 3.75Å; T80-Y82 PolarHBondContact O-N 3.47Å |
| 81 | E | 93.6 | Very high | 89 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 132.4 | 165.2 | -170 | 177.1 | -171.3 | 0 | 0 | 111.7 | V64 Q65 F67 K140 | V64-E81 HydrophobicContact CG1-CB 4.43Å; Q65-E81 HydrophobicContact CB-CB 4.44Å; Q65-E81 PolarHBondContact O-N 3.02Å; F67-E81 HydrophobicContact CE2-CB 4.11Å; F67-E81 HydrophobicContact CZ-CB 3.96Å; F67-E81 HydrophobicContact CZ-CG 4.42Å; E81-K140 VanDerWaalsContact CD-CE 3.46Å; E81-K140 WeakPolarHBondContact OE1-CE 3.38Å; E81-K140 IonicContact OE1-NZ 2.89Å; E81-K140 PolarHBondContact OE1-NZ 3.5Å; E81-K140 VanDerWaalsContact OE2-CE 3.27Å; E81-K140 WeakPolarHBondContact OE2-CE 3.4Å; E81-K140 IonicContact OE2-NZ 2.68Å; E81-K140 PolarHBondContact OE2-NZ 3.33Å |
| 82 | Y | 93.1 | Very high | 88.8 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | trans | -87.4 | 126.6 | 175.4 | 178.7 | -102.1 | 0 | 0 | 0 | 110.7 | V10 K20 V29 A31 T80 E84 | V10-Y82 HydrophobicContact CG1-CE2 4.4Å; V10-Y82 HydrophobicContact CG2-CE2 3.88Å; K20-Y82 HydrophobicContact CB-CE2 4.2Å; K20-Y82 HydrophobicContact CD-CE1 4.11Å; K20-Y82 HydrophobicContact CD-CE2 4.13Å; K20-Y82 HydrophobicContact CG-CD2 4.18Å; K20-Y82 HydrophobicContact CG-CE2 3.98Å; V29-Y82 HydrophobicContact CG1-CD1 3.73Å; V29-Y82 HydrophobicContact CG1-CE1 4.46Å; V29-Y82 HydrophobicContact CG1-CG 3.95Å; A31-Y82 HydrophobicContact CB-CD2 4.24Å; T80-Y82 PolarHBondContact O-N 3.47Å; Y82-E84 HydrophobicContact CE1-CG 4.39Å | ||
| 83 | A | 91.6 | Very high | 88.8 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 12% | 0.116 | 27% | 0.273 | C | S | . | . | trans | -105.7 | 153.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L132 | A83-L132 HydrophobicContact CB-CB 3.45Å; A83-L132 VanDerWaalsContact CB-CB 3.45Å; A83-L132 HydrophobicContact CB-CD1 3.87Å; A83-L132 HydrophobicContact CB-CG 4.29Å | ||
| 84 | E | 87.3 | Confident | 89 | Confident | 119 Ų | 119 | 50.3 Ų | 50.3 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -86 | -28.1 | -170.3 | -65.2 | -178.5 | 166.9 | 0 | 0 | 112.9 | Y82 L133 K135 | Y82-E84 HydrophobicContact CE1-CG 4.39Å; E84-L133 PolarHBondContact N-O 3.01Å; E84-K135 WeakPolarHBondContact OE1-CG 3.41Å |
| 85 | G | 87.6 | Confident | 89.1 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 179.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L132 L133 | G85-L132 CarbonylContact O-C 3.46Å; G85-L132 WeakPolarHBondContact O-CA 3.32Å; G85-L133 PolarHBondContact N-O 2.88Å; G85-L133 PolarHBondContact O-N 2.82Å |
| 86 | Q | 87.1 | Confident | 89.2 | Confident | 71 Ų | 71 | 51 Ų | 51 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.9 | 174.7 | -62.5 | 177.1 | 9 | 0 | 0 | 109.8 | F88 Q89 L132 | Q86-F88 PolarHBondContact O-N 3.32Å; Q86-Q89 HydrophobicContact CB-CG 4.27Å; Q86-Q89 WeakPolarHBondContact O-CB 3.3Å; Q86-Q89 PolarHBondContact O-N 3.26Å; Q86-L132 HydrophobicContact CG-CD2 3.72Å |
| 87 | L | 89.3 | Confident | 89.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 177.2 | -177.6 | 59.9 | 0 | 0 | 0 | 112.1 | Q89 I90 L91 L97 I105 I131 L133 L193 | L87-Q89 VanDerWaalsContact C-N 3.28Å; L87-Q89 PolarHBondContact O-N 2.63Å; L87-I90 PolarHBondContact O-N 3.06Å; L87-L91 PolarHBondContact O-N 3.09Å; L87-L91 VanDerWaalsContact O-N 3.11Å; L87-L97 HydrophobicContact CD1-CD1 4.42Å; L87-I105 HydrophobicContact CD1-CD1 3.85Å; L87-I105 HydrophobicContact CD2-CG2 4.24Å; L87-I131 HydrophobicContact CB-CB 4.05Å; L87-I131 HydrophobicContact CB-CG2 4.02Å; L87-I131 VanDerWaalsContact CB-O 3.32Å; L87-I131 WeakPolarHBondContact CB-O 3.44Å; L87-I131 HydrophobicContact CD2-CB 4.04Å; L87-I131 HydrophobicContact CD2-CD1 4.12Å; L87-I131 HydrophobicContact CD2-CG2 3.7Å; L87-I131 PolarHBondContact N-O 3.48Å; L87-L133 HydrophobicContact CD1-CD1 4.39Å; L87-L193 HydrophobicContact CD1-CD2 3.86Å; L87-L193 HydrophobicContact CD2-CD1 3.94Å; L87-L193 HydrophobicContact CD2-CD2 3.98Å; L87-L193 HydrophobicContact CG-CD2 3.85Å |
| 88 | F | 86.3 | Confident | 89.4 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.1 | -38.5 | 173.1 | -179.3 | -107.1 | 0 | 0 | 0 | 113.6 | Q86 L91 E92 P128 Q129 | Q86-F88 PolarHBondContact O-N 3.32Å; F88-L91 PolarHBondContact O-N 3.03Å; F88-E92 HydrophobicContact CD1-CG 4.3Å; F88-E92 HydrophobicContact CE1-CG 3.8Å; F88-E92 VanDerWaalsContact CE1-OE1 3.24Å; F88-E92 WeakPolarHBondContact CE1-OE1 3.46Å; F88-E92 WeakPolarHBondContact CE1-OE2 3.49Å; F88-E92 HydrophobicContact CE2-CG 4.21Å; F88-E92 VanDerWaalsContact CZ-CD 3.41Å; F88-E92 HydrophobicContact CZ-CG 3.76Å; F88-E92 WeakPolarHBondContact CZ-OE1 3.49Å; F88-E92 PolarHBondContact O-N 2.9Å; F88-P128 HydrophobicContact CB-CB 3.95Å; F88-P128 HydrophobicContact CD2-CB 4.26Å; F88-P128 PolarHBondContact N-O 2.95Å; F88-Q129 HydrophobicContact CB-CG 4.03Å; F88-Q129 HydrophobicContact CD1-CG 4.22Å; F88-Q129 HydrophobicContact CD2-CG 4.27Å; F88-Q129 HydrophobicContact CG-CG 3.9Å |
| 89 | Q | 84.8 | Confident | 89.5 | Confident | 92 Ų | 92 | 55.6 Ų | 55.6 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | -179.6 | -69.5 | 172.8 | -25.7 | 0 | 0 | 111.3 | Q86 L87 L91 E92 D93 | Q86-Q89 HydrophobicContact CB-CG 4.27Å; Q86-Q89 WeakPolarHBondContact O-CB 3.3Å; Q86-Q89 PolarHBondContact O-N 3.26Å; L87-Q89 VanDerWaalsContact C-N 3.28Å; L87-Q89 PolarHBondContact O-N 2.63Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 PolarHBondContact O-N 3.18Å; Q89-E92 PolarHBondContact O-N 3.19Å; Q89-E92 VanDerWaalsContact O-N 3.16Å; Q89-D93 WeakPolarHBondContact O-CB 3.19Å; Q89-D93 PolarHBondContact O-N 2.84Å |
| 90 | I | 86.3 | Confident | 89.5 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 174.6 | -62.2 | -162.1 | 0 | 0 | 0 | 110.4 | L87 E92 D93 D94 L97 L133 | L87-I90 PolarHBondContact O-N 3.06Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-E92 PolarHBondContact O-N 3.18Å; I90-D93 PolarHBondContact O-N 2.88Å; I90-D94 WeakPolarHBondContact O-CB 3.47Å; I90-D94 PolarHBondContact O-N 2.78Å; I90-L97 HydrophobicContact CG2-CD1 4.47Å; I90-L97 HydrophobicContact CG2-CD2 3.75Å; I90-L133 HydrophobicContact CD1-CD1 3.12Å; I90-L133 HydrophobicContact CG1-CD1 3.84Å |
| 91 | L | 86.1 | Confident | 89.5 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 177.4 | -173.6 | 67.9 | 0 | 0 | 0 | 112.7 | L87 F88 Q89 G95 E192 L193 | L87-L91 PolarHBondContact O-N 3.09Å; L87-L91 VanDerWaalsContact O-N 3.11Å; F88-L91 PolarHBondContact O-N 3.03Å; Q89-L91 VanDerWaalsContact C-N 3.27Å; Q89-L91 PolarHBondContact O-N 3.18Å; L91-G95 WeakPolarHBondContact CD1-O 3.48Å; L91-G95 WeakPolarHBondContact O-CA 3.3Å; L91-G95 PolarHBondContact O-N 3.23Å; L91-E192 HydrophobicContact CD2-CG 3.59Å; L91-L193 HydrophobicContact CD1-CD2 4.3Å |
| 92 | E | 84.1 | Confident | 89.6 | Confident | 111 Ų | 111 | 59.7 Ų | 59.7 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 175.3 | -75.2 | -164.7 | 141 | 0 | 0 | 112.9 | F88 Q89 I90 | F88-E92 HydrophobicContact CD1-CG 4.3Å; F88-E92 HydrophobicContact CE1-CG 3.8Å; F88-E92 VanDerWaalsContact CE1-OE1 3.24Å; F88-E92 WeakPolarHBondContact CE1-OE1 3.46Å; F88-E92 WeakPolarHBondContact CE1-OE2 3.49Å; F88-E92 HydrophobicContact CE2-CG 4.21Å; F88-E92 VanDerWaalsContact CZ-CD 3.41Å; F88-E92 HydrophobicContact CZ-CG 3.76Å; F88-E92 WeakPolarHBondContact CZ-OE1 3.49Å; F88-E92 PolarHBondContact O-N 2.9Å; Q89-E92 PolarHBondContact O-N 3.19Å; Q89-E92 VanDerWaalsContact O-N 3.16Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-E92 PolarHBondContact O-N 3.18Å |
| 93 | D | 85.4 | Confident | 89.7 | Confident | 136 Ų | 136 | 61.4 Ų | 61.4 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -80 | -47.5 | -176.5 | -70.7 | -24.7 | 0 | 0 | 0 | 112.2 | Q89 I90 | Q89-D93 WeakPolarHBondContact O-CB 3.19Å; Q89-D93 PolarHBondContact O-N 2.84Å; I90-D93 PolarHBondContact O-N 2.88Å |
| 94 | D | 87.1 | Confident | 89.9 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -92.8 | -17.1 | -173.5 | -65.6 | -14.8 | 0 | 0 | 0 | 112.7 | I90 H96 | I90-D94 WeakPolarHBondContact O-CB 3.47Å; I90-D94 PolarHBondContact O-N 2.78Å; D94-H96 PolarHBondContact O-N 2.81Å |
| 95 | G | 86.8 | Confident | 90.4 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 34% | 0.34 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 77.1 | -49.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L91 G196 | L91-G95 WeakPolarHBondContact CD1-O 3.48Å; L91-G95 WeakPolarHBondContact O-CA 3.3Å; L91-G95 PolarHBondContact O-N 3.23Å; G95-G196 WeakPolarHBondContact O-CA 3.38Å |
| 96 | H | 90.9 | Very high | 90.9 | Very high | 116 Ų | 116 | 60.2 Ų | 60.2 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -150.1 | 159 | 174.7 | 66.3 | 69.9 | 0 | 0 | 0 | 111.4 | D94 L193 | D94-H96 PolarHBondContact O-N 2.81Å; H96-L193 CarbonylContact C-O 3.59Å; H96-L193 WeakPolarHBondContact CA-O 3.29Å |
| 97 | L | 93.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | trans | -109.3 | 146.1 | -179.4 | -63.7 | -175.7 | 0 | 0 | 0 | 112.2 | L87 I90 V102 I105 L193 | L87-L97 HydrophobicContact CD1-CD1 4.42Å; I90-L97 HydrophobicContact CG2-CD1 4.47Å; I90-L97 HydrophobicContact CG2-CD2 3.75Å; L97-V102 HydrophobicContact CB-CG2 3.9Å; L97-I105 HydrophobicContact CD1-CD1 3.78Å; L97-L193 HydrophobicContact CD1-CB 4.47Å; L97-L193 HydrophobicContact CD1-CD2 4.11Å; L97-L193 PolarHBondContact N-O 2.8Å | ||
| 98 | P | 94.3 | Very high | 91.7 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 42% | 0.416 | 31% | 0.305 | S | S | . | . | trans | -63.4 | 146.4 | 172.5 | 28.6 | -34.7 | 0 | 0 | 0 | 110.4 | S100 Q101 V102 | P98-S100 PolarHBondContact O-N 3.1Å; P98-S100 VanDerWaalsContact O-N 3.08Å; P98-Q101 HydrophobicContact CG-CB 4.1Å; P98-Q101 HydrophobicContact CG-CG 3.8Å; P98-Q101 PolarHBondContact O-N 2.9Å; P98-V102 PolarHBondContact O-N 2.77Å; P98-V102 VanDerWaalsContact O-N 3.09Å | ||
| 99 | E | 94.8 | Very high | 92.3 | Very high | 49 Ų | 49 | 57.2 Ų | 57.2 | 23% | 0.229 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.6 | -33.7 | -174.2 | -167.1 | -178.7 | 124.7 | 0 | 0 | 113.4 | Q101 V102 R103 S224 C227 F253 | E99-Q101 PolarHBondContact O-N 2.85Å; E99-V102 PolarHBondContact O-N 2.8Å; E99-R103 WeakPolarHBondContact O-CB 3.45Å; E99-R103 PolarHBondContact O-N 2.79Å; E99-S224 VanDerWaalsContact CD-OG 3.26Å; E99-S224 VanDerWaalsContact OE1-CB 3.23Å; E99-S224 WeakPolarHBondContact OE1-CB 3.42Å; E99-S224 PolarHBondContact OE1-OG 2.79Å; E99-S224 WeakPolarHBondContact OE2-CB 3.46Å; E99-S224 PolarHBondContact OE2-N 3.3Å; E99-S224 PolarHBondContact OE2-OG 3.41Å; E99-C227 VanDerWaalsContact CD-CB 3.47Å; E99-C227 HydrophobicContact CG-CB 4.02Å; E99-C227 WeakPolarHBondContact OE1-CB 3.34Å; E99-F253 HydrophobicContact CG-CE2 4.05Å; E99-F253 HydrophobicContact CG-CZ 4.29Å |
| 100 | S | 94.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 52% | 0.517 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 176.3 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | P98 R103 E104 | P98-S100 PolarHBondContact O-N 3.1Å; P98-S100 VanDerWaalsContact O-N 3.08Å; S100-R103 WeakPolarHBondContact O-CB 3.33Å; S100-R103 PolarHBondContact O-N 3.14Å; S100-E104 WeakPolarHBondContact O-CG 3.4Å; S100-E104 PolarHBondContact O-N 3.31Å; S100-E104 VanDerWaalsContact O-N 3.08Å |
| 101 | Q | 94.5 | Very high | 93.4 | Very high | 84 Ų | 84 | 50.1 Ų | 50.1 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.6 | -38 | 175.8 | -69.8 | 178 | 8 | 0 | 0 | 111.2 | P98 E99 R103 E104 I105 | P98-Q101 HydrophobicContact CG-CB 4.1Å; P98-Q101 HydrophobicContact CG-CG 3.8Å; P98-Q101 PolarHBondContact O-N 2.9Å; E99-Q101 PolarHBondContact O-N 2.85Å; Q101-R103 PolarHBondContact O-N 3.19Å; Q101-E104 PolarHBondContact O-N 3.24Å; Q101-I105 WeakPolarHBondContact O-CG1 3.45Å; Q101-I105 PolarHBondContact O-N 2.97Å |
| 102 | V | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 173.1 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | L97 P98 E99 I105 A106 L190 L193 H194 | L97-V102 HydrophobicContact CB-CG2 3.9Å; P98-V102 PolarHBondContact O-N 2.77Å; P98-V102 VanDerWaalsContact O-N 3.09Å; E99-V102 PolarHBondContact O-N 2.8Å; V102-I105 PolarHBondContact O-N 2.87Å; V102-A106 VanDerWaalsContact O-CB 3.27Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.46Å; V102-L190 HydrophobicContact CG1-CB 4.29Å; V102-L190 HydrophobicContact CG1-CD2 4.04Å; V102-L193 HydrophobicContact CG2-CB 4.05Å; V102-H194 HydrophobicContact CG2-CB 4.23Å |
| 103 | R | 96.8 | Very high | 94.5 | Very high | 87 Ų | 87 | 44.4 Ų | 44.4 | 33% | 0.328 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 174.8 | -179.2 | 179.4 | 173.9 | -107 | 3.4 | 112.1 | E99 S100 Q101 I105 A106 C107 F253 | E99-R103 WeakPolarHBondContact O-CB 3.45Å; E99-R103 PolarHBondContact O-N 2.79Å; S100-R103 WeakPolarHBondContact O-CB 3.33Å; S100-R103 PolarHBondContact O-N 3.14Å; Q101-R103 PolarHBondContact O-N 3.19Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 3.26Å; R103-A106 WeakPolarHBondContact O-CB 3.4Å; R103-A106 PolarHBondContact O-N 3.2Å; R103-C107 PolarHBondContact O-N 3.48Å; R103-C107 PolarHBondContact O-SG 3.42Å; R103-F253 HydrophobicContact CB-CE1 4.09Å; R103-F253 HydrophobicContact CB-CE2 4.04Å; R103-F253 HydrophobicContact CB-CZ 3.65Å; R103-F253 VanDerWaalsContact CD-O 3.31Å; R103-F253 WeakPolarHBondContact CD-O 3.49Å; R103-F253 HydrophobicContact CG-CE1 4.36Å; R103-F253 HydrophobicContact CG-CE2 4.35Å; R103-F253 HydrophobicContact CG-CZ 4.21Å; R103-F253 WeakPolarHBondContact CG-O 3.47Å; R103-F253 PolarHBondContact NE-O 3.33Å |
| 104 | E | 95.7 | Very high | 95 | Very high | 115 Ų | 115 | 40 Ų | 40 | 54% | 0.537 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.8 | -73.9 | 171.6 | -167.2 | 0 | 0 | 112.3 | S100 Q101 Q108 | S100-E104 WeakPolarHBondContact O-CG 3.4Å; S100-E104 PolarHBondContact O-N 3.31Å; S100-E104 VanDerWaalsContact O-N 3.08Å; Q101-E104 PolarHBondContact O-N 3.24Å; E104-Q108 WeakPolarHBondContact O-CG 3.17Å; E104-Q108 PolarHBondContact O-N 3.1Å; E104-Q108 PolarHBondContact O-NE2 2.94Å |
| 105 | I | 96.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.077 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 174.5 | -67.4 | 166.5 | 0 | 0 | 0 | 110.2 | L87 L97 Q101 V102 R103 C107 Q108 L109 V139 L190 L193 | L87-I105 HydrophobicContact CD1-CD1 3.85Å; L87-I105 HydrophobicContact CD2-CG2 4.24Å; L97-I105 HydrophobicContact CD1-CD1 3.78Å; Q101-I105 WeakPolarHBondContact O-CG1 3.45Å; Q101-I105 PolarHBondContact O-N 2.97Å; V102-I105 PolarHBondContact O-N 2.87Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 3.26Å; I105-C107 PolarHBondContact O-N 2.98Å; I105-Q108 PolarHBondContact O-N 3.19Å; I105-L109 HydrophobicContact CG2-CD1 3.67Å; I105-L109 HydrophobicContact CG2-CG 4.22Å; I105-L109 WeakPolarHBondContact O-CG 3.45Å; I105-L109 PolarHBondContact O-N 3.46Å; I105-V139 HydrophobicContact CB-CG2 4.39Å; I105-V139 HydrophobicContact CG1-CG2 4.08Å; I105-V139 HydrophobicContact CG2-CG2 4.21Å; I105-L190 HydrophobicContact CG2-CD2 4.43Å; I105-L193 HydrophobicContact CD1-CD1 4.11Å; I105-L193 HydrophobicContact CG2-CD1 3.99Å |
| 106 | A | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.1 | -48.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V102 R103 Q108 L109 V110 L190 F230 F253 V254 | V102-A106 VanDerWaalsContact O-CB 3.27Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.46Å; R103-A106 WeakPolarHBondContact O-CB 3.4Å; R103-A106 PolarHBondContact O-N 3.2Å; A106-Q108 VanDerWaalsContact C-N 3.29Å; A106-Q108 PolarHBondContact O-N 3.49Å; A106-L109 PolarHBondContact O-N 2.95Å; A106-V110 VanDerWaalsContact O-CB 3.3Å; A106-V110 WeakPolarHBondContact O-CB 3.49Å; A106-V110 WeakPolarHBondContact O-CG2 3.47Å; A106-V110 PolarHBondContact O-N 3.21Å; A106-L190 HydrophobicContact CB-CD1 3.62Å; A106-L190 HydrophobicContact CB-CD2 3.8Å; A106-L190 HydrophobicContact CB-CG 4.38Å; A106-F230 HydrophobicContact CB-CE1 4.46Å; A106-F253 HydrophobicContact CB-CE1 4.08Å; A106-V254 HydrophobicContact CB-CG1 4.1Å |
| 107 | C | 97.6 | Very high | 96 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.2 | -43.3 | 178.3 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | R103 I105 S111 G257 V258 | R103-C107 PolarHBondContact O-N 3.48Å; R103-C107 PolarHBondContact O-SG 3.42Å; I105-C107 PolarHBondContact O-N 2.98Å; C107-S111 VanDerWaalsContact O-CB 3.3Å; C107-S111 WeakPolarHBondContact O-CB 3.45Å; C107-S111 PolarHBondContact O-N 3.5Å; C107-G257 WeakPolarHBondContact CB-O 3.47Å; C107-V258 HydrophobicContact CB-CG2 4.49Å |
| 108 | Q | 97.3 | Very high | 96 | Very high | 39 Ų | 39 | 28.6 Ų | 28.6 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.9 | -39.6 | 180 | -71 | -178.2 | 77.3 | 0 | 0 | 113 | N62 E104 I105 A106 S111 A112 V139 | N62-Q108 HydrophobicContact CB-CB 4.49Å; N62-Q108 WeakPolarHBondContact CB-O 3.49Å; N62-Q108 WeakPolarHBondContact ND2-CB 3.36Å; N62-Q108 PolarHBondContact ND2-OE1 3.14Å; E104-Q108 WeakPolarHBondContact O-CG 3.17Å; E104-Q108 PolarHBondContact O-N 3.1Å; E104-Q108 PolarHBondContact O-NE2 2.94Å; I105-Q108 PolarHBondContact O-N 3.19Å; A106-Q108 VanDerWaalsContact C-N 3.29Å; A106-Q108 PolarHBondContact O-N 3.49Å; Q108-S111 WeakPolarHBondContact O-CB 3.5Å; Q108-S111 PolarHBondContact O-N 3.47Å; Q108-A112 PolarHBondContact O-N 2.85Å; Q108-V139 HydrophobicContact CB-CB 3.92Å; Q108-V139 HydrophobicContact CB-CG2 4.21Å |
| 109 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71 | -39.1 | 176.3 | -70 | 174.4 | 0 | 0 | 0 | 112.1 | I105 A106 S111 A112 L113 M126 I131 V139 L186 | I105-L109 HydrophobicContact CG2-CD1 3.67Å; I105-L109 HydrophobicContact CG2-CG 4.22Å; I105-L109 WeakPolarHBondContact O-CG 3.45Å; I105-L109 PolarHBondContact O-N 3.46Å; A106-L109 PolarHBondContact O-N 2.95Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 3.46Å; L109-A112 PolarHBondContact O-N 2.94Å; L109-L113 WeakPolarHBondContact O-CB 3.33Å; L109-L113 WeakPolarHBondContact O-CG 3.28Å; L109-L113 PolarHBondContact O-N 2.91Å; L109-M126 HydrophobicContact CD2-CE 4.26Å; L109-I131 HydrophobicContact CD1-CD1 3.85Å; L109-I131 HydrophobicContact CD2-CD1 3.98Å; L109-I131 HydrophobicContact CD2-CG1 4.14Å; L109-I131 HydrophobicContact CD2-CG2 4.16Å; L109-V139 HydrophobicContact CD2-CG1 3.61Å; L109-V139 HydrophobicContact CG-CG1 4.07Å; L109-L186 HydrophobicContact CB-CD1 3.68Å; L109-L186 HydrophobicContact CD1-CD1 3.65Å; L109-L186 HydrophobicContact CG-CD1 4.32Å |
| 110 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 173 | 168.3 | 0 | 0 | 0 | 0 | 110.2 | A106 L113 Y114 L186 F230 W245 L248 L249 V258 | A106-V110 VanDerWaalsContact O-CB 3.3Å; A106-V110 WeakPolarHBondContact O-CB 3.49Å; A106-V110 WeakPolarHBondContact O-CG2 3.47Å; A106-V110 PolarHBondContact O-N 3.21Å; V110-L113 PolarHBondContact O-N 3Å; V110-Y114 VanDerWaalsContact O-CB 3.31Å; V110-Y114 WeakPolarHBondContact O-CB 3.1Å; V110-Y114 PolarHBondContact O-N 2.98Å; V110-L186 HydrophobicContact CG2-CD2 3.78Å; V110-F230 HydrophobicContact CG2-CZ 4.14Å; V110-W245 HydrophobicContact CG1-CH2 3.94Å; V110-W245 HydrophobicContact CG1-CZ3 4.06Å; V110-L248 HydrophobicContact CB-CD2 4.24Å; V110-L248 HydrophobicContact CG1-CD2 3.43Å; V110-L248 VanDerWaalsContact CG1-CD2 3.43Å; V110-L248 HydrophobicContact CG2-CD2 3.73Å; V110-L249 HydrophobicContact CG1-CD2 4.13Å; V110-V258 HydrophobicContact CB-CG2 4.13Å; V110-V258 HydrophobicContact CG1-CG1 3.97Å; V110-V258 HydrophobicContact CG1-CG2 3.69Å |
| 111 | S | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59 | -48 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 112 | H60 C107 Q108 L109 L113 Y114 Y115 L259 | H60-S111 PolarHBondContact CE1-OG 3.31Å; H60-S111 PolarHBondContact NE2-OG 2.95Å; C107-S111 VanDerWaalsContact O-CB 3.3Å; C107-S111 WeakPolarHBondContact O-CB 3.45Å; C107-S111 PolarHBondContact O-N 3.5Å; Q108-S111 WeakPolarHBondContact O-CB 3.5Å; Q108-S111 PolarHBondContact O-N 3.47Å; L109-S111 VanDerWaalsContact C-N 3.31Å; L109-S111 PolarHBondContact O-N 3.46Å; S111-L113 PolarHBondContact O-N 3.31Å; S111-Y114 PolarHBondContact O-N 3.46Å; S111-Y115 PolarHBondContact O-N 3.42Å; S111-Y115 VanDerWaalsContact O-N 3.12Å; S111-L259 WeakPolarHBondContact CB-O 3.45Å; S111-L259 PolarHBondContact OG-O 3.5Å |
| 112 | A | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | N62 I63 Q108 L109 Y115 L116 L141 | N62-A112 HydrophobicContact CB-CB 3.97Å; I63-A112 HydrophobicContact CD1-CB 4.44Å; I63-A112 HydrophobicContact CG1-CB 3.95Å; Q108-A112 PolarHBondContact O-N 2.85Å; L109-A112 PolarHBondContact O-N 2.94Å; A112-Y115 PolarHBondContact O-N 2.92Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 2.96Å; A112-L141 HydrophobicContact CB-CD2 4.46Å |
| 113 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.5 | -37.5 | 179.6 | -76 | 178.1 | 0 | 0 | 0 | 112.5 | L109 V110 S111 Y115 L116 H117 M126 D182 L183 L186 W245 | L109-L113 WeakPolarHBondContact O-CB 3.33Å; L109-L113 WeakPolarHBondContact O-CG 3.28Å; L109-L113 PolarHBondContact O-N 2.91Å; V110-L113 PolarHBondContact O-N 3Å; S111-L113 PolarHBondContact O-N 3.31Å; L113-Y115 VanDerWaalsContact C-N 3.29Å; L113-Y115 PolarHBondContact O-N 3.08Å; L113-L116 HydrophobicContact CD2-CD1 4.5Å; L113-L116 PolarHBondContact O-N 3.36Å; L113-H117 VanDerWaalsContact O-CB 3.27Å; L113-H117 WeakPolarHBondContact O-CB 3.49Å; L113-H117 PolarHBondContact O-N 2.89Å; L113-M126 HydrophobicContact CD1-CE 4.24Å; L113-M126 HydrophobicContact CD1-SD 3.73Å; L113-M126 HydrophobicContact CD2-SD 3.67Å; L113-M126 HydrophobicContact CG-CE 4.48Å; L113-M126 HydrophobicContact CG-SD 4.06Å; L113-D182 HydrophobicContact CD2-CB 4.05Å; L113-L183 HydrophobicContact CD1-CD2 4.12Å; L113-L186 HydrophobicContact CD1-CB 4.2Å; L113-L186 HydrophobicContact CD1-CD2 4.06Å; L113-W245 HydrophobicContact CB-CZ2 4.24Å |
| 114 | Y | 95.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 17.2 Ų | 17.2 | 17% | 0.173 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 173.3 | -176.1 | -90.2 | 0 | 0 | 0 | 110.4 | V110 S111 H117 S118 W245 L249 V260 T271 | V110-Y114 VanDerWaalsContact O-CB 3.31Å; V110-Y114 WeakPolarHBondContact O-CB 3.1Å; V110-Y114 PolarHBondContact O-N 2.98Å; S111-Y114 PolarHBondContact O-N 3.46Å; Y114-H117 PolarHBondContact O-N 2.83Å; Y114-S118 WeakPolarHBondContact O-CB 3.18Å; Y114-S118 PolarHBondContact O-N 3.27Å; Y114-S118 PolarHBondContact O-OG 2.93Å; Y114-W245 HydrophobicContact CD2-CD2 4.08Å; Y114-W245 AromaticContact CD2-CE3 3.78Å; Y114-W245 HydrophobicContact CD2-CE3 3.78Å; Y114-W245 HydrophobicContact CD2-CH2 4.04Å; Y114-W245 HydrophobicContact CD2-CZ2 4.32Å; Y114-W245 AromaticContact CD2-CZ3 3.76Å; Y114-W245 HydrophobicContact CD2-CZ3 3.76Å; Y114-W245 HydrophobicContact CE2-CE3 4.44Å; Y114-W245 HydrophobicContact CG-CH2 4.39Å; Y114-W245 HydrophobicContact CG-CZ3 4.47Å; Y114-L249 HydrophobicContact CD2-CD1 3.7Å; Y114-L249 HydrophobicContact CD2-CD2 3.96Å; Y114-L249 HydrophobicContact CD2-CG 4.03Å; Y114-L249 HydrophobicContact CE2-CD1 3.39Å; Y114-L249 HydrophobicContact CE2-CG 4.2Å; Y114-L249 HydrophobicContact CG-CD2 4.37Å; Y114-V260 HydrophobicContact CD1-CG1 4.08Å; Y114-V260 HydrophobicContact CE1-CG1 3.52Å; Y114-T271 HydrophobicContact CD2-CG2 3.56Å; Y114-T271 HydrophobicContact CE2-CG2 3.61Å; Y114-T271 HydrophobicContact CG-CG2 4.08Å; Y114-T271 WeakPolarHBondContact O-CG2 3.3Å |
| 115 | Y | 95.1 | Very high | 95 | Very high | 12 Ų | 12 | 12 Ų | 12 | 5% | 0.047 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.9 | -179.4 | -97.3 | 0 | 0 | 0 | 112.8 | L58 R59 H60 I63 S111 A112 L113 S118 H119 L261 | L58-Y115 HydrophobicContact CB-CE1 4.34Å; L58-Y115 HydrophobicContact CD2-CD1 4.4Å; L58-Y115 HydrophobicContact CD2-CE1 3.72Å; R59-Y115 PolarHBondContact N-OH 3.41Å; H60-Y115 HydrophobicContact CB-CD1 3.73Å; H60-Y115 HydrophobicContact CB-CE1 3.94Å; H60-Y115 HydrophobicContact CB-CG 4.02Å; H60-Y115 AromaticContact CD2-CD2 3.87Å; H60-Y115 AromaticContact CD2-CG 3.59Å; H60-Y115 AromaticContact CG-CG 3.99Å; I63-Y115 HydrophobicContact CD1-CD1 3.65Å; I63-Y115 HydrophobicContact CD1-CE1 4.25Å; S111-Y115 PolarHBondContact O-N 3.42Å; S111-Y115 VanDerWaalsContact O-N 3.12Å; A112-Y115 PolarHBondContact O-N 2.92Å; L113-Y115 VanDerWaalsContact C-N 3.29Å; L113-Y115 PolarHBondContact O-N 3.08Å; Y115-S118 PolarHBondContact O-N 3.32Å; Y115-S118 PolarHBondContact O-OG 3.19Å; Y115-H119 AromaticContact CD2-CE1 3.71Å; Y115-H119 AromaticContact CE2-CE1 3.21Å; Y115-H119 WeakPolarHBondContact CE2-CE1 3.36Å; Y115-H119 AromaticContact CE2-ND1 3.87Å; Y115-H119 AromaticContact CZ-CE1 3.42Å; Y115-H119 VanDerWaalsContact CZ-CE1 3.42Å; Y115-H119 AromaticContact CZ-ND1 3.93Å; Y115-H119 AromaticContact CZ-NE2 3.92Å; Y115-H119 PolarHBondContact O-N 3.12Å; Y115-H119 PolarHBondContact O-ND1 2.99Å; Y115-L261 HydrophobicContact CD2-CD1 4.36Å; Y115-L261 HydrophobicContact CE2-CD1 4.43Å |
| 116 | L | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 177.1 | -71.9 | 176.2 | 0 | 0 | 0 | 112.1 | L58 I63 A112 L113 S118 H119 R120 I121 L141 F144 | L58-L116 HydrophobicContact CD1-CD2 3.79Å; L58-L116 HydrophobicContact CD2-CD2 3.85Å; L58-L116 HydrophobicContact CG-CD2 4.49Å; I63-L116 HydrophobicContact CD1-CD1 4.29Å; I63-L116 HydrophobicContact CD1-CD2 3.8Å; I63-L116 HydrophobicContact CD1-CG 3.76Å; A112-L116 WeakPolarHBondContact O-CG 3.44Å; A112-L116 PolarHBondContact O-N 2.96Å; L113-L116 HydrophobicContact CD2-CD1 4.5Å; L113-L116 PolarHBondContact O-N 3.36Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 2.94Å; L116-H119 CarbonylContact O-C 3.52Å; L116-H119 WeakPolarHBondContact O-CA 3.39Å; L116-H119 PolarHBondContact O-N 3.49Å; L116-H119 VanDerWaalsContact O-N 3.11Å; L116-R120 PolarHBondContact O-N 2.86Å; L116-I121 CarbonylContact C-O 3.5Å; L116-I121 HydrophobicContact CD2-CB 4.3Å; L116-I121 HydrophobicContact CD2-CG2 4.08Å; L116-I121 PolarHBondContact O-N 3.41Å; L116-L141 HydrophobicContact CD1-CD2 3.95Å; L116-F144 HydrophobicContact CD1-CE1 4.02Å; L116-F144 HydrophobicContact CD1-CZ 4.48Å; L116-F144 HydrophobicContact CD2-CE1 3.84Å; L116-F144 HydrophobicContact CD2-CZ 4.39Å |
| 117 | H | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -68.3 | -31 | -178.5 | -65.2 | 173 | 0 | 0 | 0 | 111.8 | L113 Y114 H119 R120 I121 H179 D182 W245 L270 T271 | L113-H117 VanDerWaalsContact O-CB 3.27Å; L113-H117 WeakPolarHBondContact O-CB 3.49Å; L113-H117 PolarHBondContact O-N 2.89Å; Y114-H117 PolarHBondContact O-N 2.83Å; H117-H119 VanDerWaalsContact C-N 3.27Å; H117-H119 PolarHBondContact O-N 3.49Å; H117-R120 PolarHBondContact O-N 3.29Å; H117-I121 PolarHBondContact CD2-O 2.94Å; H117-H179 PolarHBondContact CE1-O 3.34Å; H117-H179 VanDerWaalsContact CE1-O 3.31Å; H117-H179 AromaticContact ND1-CD2 3.73Å; H117-D182 IonicContact NE2-OD2 3.72Å; H117-D182 PolarHBondContact NE2-OD2 3.48Å; H117-W245 AromaticContact CG-NE1 3.76Å; H117-W245 AromaticContact ND1-CE2 3.83Å; H117-W245 AromaticContact ND1-CZ2 3.96Å; H117-W245 AromaticContact ND1-NE1 3.11Å; H117-W245 PolarHBondContact ND1-NE1 2.91Å; H117-W245 VanDerWaalsContact ND1-NE1 3.11Å; H117-L270 HydrophobicContact CB-CB 4.35Å; H117-L270 WeakPolarHBondContact O-CB 3.5Å; H117-L270 PolarHBondContact O-N 3.16Å; H117-L270 VanDerWaalsContact O-N 3.15Å; H117-T271 HydrophobicContact CB-CG2 3.8Å |
| 118 | S | 92.7 | Very high | 94.1 | Very high | 7 Ų | 7 | 11.7 Ų | 11.7 | 5% | 0.049 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.6 | -29.1 | 173 | 77 | 0 | 0 | 0 | 0 | 112.3 | Y114 Y115 L116 R120 P269 | Y114-S118 WeakPolarHBondContact O-CB 3.18Å; Y114-S118 PolarHBondContact O-N 3.27Å; Y114-S118 PolarHBondContact O-OG 2.93Å; Y115-S118 PolarHBondContact O-N 3.32Å; Y115-S118 PolarHBondContact O-OG 3.19Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 2.94Å; S118-R120 VanDerWaalsContact C-N 3.27Å; S118-P269 WeakPolarHBondContact O-CB 3.37Å |
| 119 | H | 91.4 | Very high | 93.7 | Very high | 55 Ų | 55 | 12.6 Ų | 12.6 | 26% | 0.255 | 6% | 0.056 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.8 | 171.2 | -68.3 | 75.7 | 0 | 0 | 0 | 113.2 | Y115 L116 H117 I121 D263 | Y115-H119 AromaticContact CD2-CE1 3.71Å; Y115-H119 AromaticContact CE2-CE1 3.21Å; Y115-H119 WeakPolarHBondContact CE2-CE1 3.36Å; Y115-H119 AromaticContact CE2-ND1 3.87Å; Y115-H119 AromaticContact CZ-CE1 3.42Å; Y115-H119 VanDerWaalsContact CZ-CE1 3.42Å; Y115-H119 AromaticContact CZ-ND1 3.93Å; Y115-H119 AromaticContact CZ-NE2 3.92Å; Y115-H119 PolarHBondContact O-N 3.12Å; Y115-H119 PolarHBondContact O-ND1 2.99Å; L116-H119 CarbonylContact O-C 3.52Å; L116-H119 WeakPolarHBondContact O-CA 3.39Å; L116-H119 PolarHBondContact O-N 3.49Å; L116-H119 VanDerWaalsContact O-N 3.11Å; H117-H119 VanDerWaalsContact C-N 3.27Å; H117-H119 PolarHBondContact O-N 3.49Å; H119-I121 HydrophobicContact CB-CD1 3.94Å; H119-I121 HydrophobicContact CB-CG1 4.37Å; H119-I121 PolarHBondContact O-N 3.42Å; H119-D263 IonicContact CE1-OD2 2.69Å; H119-D263 PolarHBondContact CE1-OD2 3.33Å; H119-D263 IonicContact NE2-OD2 2.75Å |
| 120 | R | 92.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 13 Ų | 13 | 6% | 0.06 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 32.1 | -176.7 | -51.7 | -175.4 | 62 | 84.3 | 1.1 | 113.8 | L116 H117 S118 M150 S151 T154 S268 L270 | L116-R120 PolarHBondContact O-N 2.86Å; H117-R120 PolarHBondContact O-N 3.29Å; S118-R120 VanDerWaalsContact C-N 3.27Å; R120-M150 HydrophobicContact CB-CB 4.21Å; R120-M150 PolarHBondContact NE-O 2.98Å; R120-M150 VanDerWaalsContact NE-O 3.08Å; R120-M150 WeakPolarHBondContact O-CB 3.43Å; R120-M150 PolarHBondContact O-N 2.74Å; R120-S151 PolarHBondContact NE-O 2.98Å; R120-S151 PolarHBondContact NH2-O 3.44Å; R120-T154 PolarHBondContact NH2-O 3.41Å; R120-T154 VanDerWaalsContact NH2-O 3.09Å; R120-S268 WeakPolarHBondContact CD-O 3.39Å; R120-S268 PolarHBondContact NH1-O 3.35Å; R120-L270 HydrophobicContact CB-CD1 4.4Å; R120-L270 HydrophobicContact CB-CG 4.43Å; R120-L270 HydrophobicContact CG-CG 4.22Å |
| 121 | I | 92.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 13 Ų | 13 | 7% | 0.072 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.7 | 177.7 | -64.8 | 161.1 | 0 | 0 | 0 | 109.2 | I54 L58 L116 H117 H119 A147 R148 A149 | I54-I121 HydrophobicContact CG2-CD1 4.29Å; I54-I121 HydrophobicContact CG2-CG2 4.06Å; L58-I121 HydrophobicContact CD2-CD1 3.8Å; L116-I121 CarbonylContact C-O 3.5Å; L116-I121 HydrophobicContact CD2-CB 4.3Å; L116-I121 HydrophobicContact CD2-CG2 4.08Å; L116-I121 PolarHBondContact O-N 3.41Å; H117-I121 PolarHBondContact CD2-O 2.94Å; H119-I121 HydrophobicContact CB-CD1 3.94Å; H119-I121 HydrophobicContact CB-CG1 4.37Å; H119-I121 PolarHBondContact O-N 3.42Å; I121-A147 HydrophobicContact CG2-CB 4.43Å; I121-R148 WeakPolarHBondContact CA-O 3.37Å; I121-A149 HydrophobicContact CG1-CB 4.26Å |
| 122 | L | 94.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 138.2 | 171.5 | -78.2 | 60.4 | 0 | 0 | 0 | 109.1 | R124 A147 R148 M150 L157 H179 D182 L270 | L122-R124 HydrophobicContact CB-CG 3.79Å; L122-A147 CarbonylContact O-C 3.52Å; L122-A147 WeakPolarHBondContact O-CA 3.21Å; L122-A147 WeakPolarHBondContact O-CB 3.29Å; L122-R148 PolarHBondContact N-O 3.09Å; L122-R148 PolarHBondContact O-N 3.01Å; L122-M150 HydrophobicContact CD1-CG 3.64Å; L122-L157 HydrophobicContact CD2-CD1 3.94Å; L122-H179 HydrophobicContact CD1-CB 4.12Å; L122-H179 HydrophobicContact CG-CB 4.2Å; L122-D182 WeakPolarHBondContact CA-OD2 3.48Å; L122-L270 HydrophobicContact CD1-CD1 3.89Å |
| 123 | H | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -81.8 | -47 | 179.3 | -172.1 | -55.1 | 0 | 0 | 0 | 112.4 | D125 M126 C142 D143 F146 D182 | H123-D125 PolarHBondContact CE1-O 2.82Å; H123-D125 PolarHBondContact ND1-N 2.95Å; H123-D125 PolarHBondContact O-N 2.81Å; H123-D125 VanDerWaalsContact O-N 3.11Å; H123-M126 HydrophobicContact CB-CG 4.19Å; H123-C142 PolarHBondContact NE2-O 2.82Å; H123-C142 VanDerWaalsContact NE2-O 3.16Å; H123-D143 PolarHBondContact CE1-O 2.83Å; H123-F146 CarbonylContact O-C 3.58Å; H123-D182 PolarHBondContact N-OD2 3.16Å | ||
| 124 | R | 91.6 | Very high | 92.4 | Very high | 34 Ų | 34 | 16 Ų | 16 | 13% | 0.128 | 8% | 0.076 | C | C | . | . | trans | 64.6 | 3.9 | 174 | -48.1 | -172.1 | -64.8 | 167 | 3 | 118 | L122 F146 S159 G162 Y177 D182 | L122-R124 HydrophobicContact CB-CG 3.79Å; R124-F146 PolarHBondContact NE-O 3.35Å; R124-F146 PolarHBondContact NH2-O 3.22Å; R124-S159 PolarHBondContact NH1-OG 2.89Å; R124-G162 WeakPolarHBondContact O-CA 2.79Å; R124-Y177 WeakPolarHBondContact CD-OH 3.4Å; R124-D182 WeakPolarHBondContact CA-OD1 3.45Å; R124-D182 PolarHBondContact N-OD1 2.97Å | ||
| 125 | D | 90.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | trans | -148.6 | 46.3 | 174.1 | -166.6 | 41.7 | 0 | 0 | 0 | 111.1 | H123 K127 N130 F146 G162 T163 | H123-D125 PolarHBondContact CE1-O 2.82Å; H123-D125 PolarHBondContact ND1-N 2.95Å; H123-D125 PolarHBondContact O-N 2.81Å; H123-D125 VanDerWaalsContact O-N 3.11Å; D125-K127 PolarHBondContact O-N 3.25Å; D125-K127 IonicContact OD1-NZ 3.7Å; D125-K127 IonicContact OD2-NZ 3.83Å; D125-K127 PolarHBondContact OD2-NZ 2.75Å; D125-N130 PolarHBondContact O-ND2 3.19Å; D125-N130 PolarHBondContact OD2-ND2 2.84Å; D125-F146 HydrophobicContact CB-CB 3.99Å; D125-F146 HydrophobicContact CB-CD2 3.46Å; D125-F146 VanDerWaalsContact CB-CD2 3.46Å; D125-F146 HydrophobicContact CB-CE2 4.34Å; D125-F146 HydrophobicContact CB-CG 4.08Å; D125-F146 WeakPolarHBondContact OD2-CD2 3.47Å; D125-G162 WeakPolarHBondContact OD1-CA 3.31Å; D125-T163 PolarHBondContact OD1-N 3.08Å; D125-T163 PolarHBondContact OD1-OG1 2.98Å | ||
| 126 | M | 93.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | trans | -68.4 | 126.3 | 171.2 | -71.2 | -163.3 | 73.9 | 0 | 0 | 110.1 | L109 L113 H123 L141 D182 A185 I189 | L109-M126 HydrophobicContact CD2-CE 4.26Å; L113-M126 HydrophobicContact CD1-CE 4.24Å; L113-M126 HydrophobicContact CD1-SD 3.73Å; L113-M126 HydrophobicContact CD2-SD 3.67Å; L113-M126 HydrophobicContact CG-CE 4.48Å; L113-M126 HydrophobicContact CG-SD 4.06Å; H123-M126 HydrophobicContact CB-CG 4.19Å; M126-L141 HydrophobicContact CE-CD1 4.14Å; M126-L141 HydrophobicContact CE-CD2 4.5Å; M126-D182 HydrophobicContact SD-CB 4.4Å; M126-A185 HydrophobicContact CB-CB 3.87Å; M126-I189 HydrophobicContact CB-CD1 3.97Å; M126-I189 HydrophobicContact CE-CD1 4.41Å | ||
| 127 | K | 89.6 | Confident | 90.7 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | trans | -159.1 | 160.2 | 176.4 | 62.4 | -167.1 | -175.9 | -145.9 | 0 | 109.8 | D125 Q129 N130 T163 Y166 | D125-K127 PolarHBondContact O-N 3.25Å; D125-K127 IonicContact OD1-NZ 3.7Å; D125-K127 IonicContact OD2-NZ 3.83Å; D125-K127 PolarHBondContact OD2-NZ 2.75Å; K127-Q129 HydrophobicContact CG-CB 4.25Å; K127-Q129 VanDerWaalsContact CG-OE1 3.29Å; K127-Q129 PolarHBondContact O-N 2.69Å; K127-Q129 VanDerWaalsContact O-N 3.08Å; K127-N130 WeakPolarHBondContact CE-ND2 3.47Å; K127-N130 WeakPolarHBondContact CE-OD1 3.48Å; K127-N130 HydrophobicContact CG-CB 4.05Å; K127-N130 PolarHBondContact O-N 3.25Å; K127-T163 WeakPolarHBondContact CD-OG1 3.47Å; K127-Y166 HydrophobicContact CB-CD2 3.8Å; K127-Y166 HydrophobicContact CB-CE2 3.64Å; K127-Y166 HydrophobicContact CB-CG 4.46Å | ||
| 128 | P | 89.3 | Confident | 90.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -56.9 | -27.3 | -178.9 | -26.4 | 36.2 | 0 | 0 | 0 | 114.3 | F88 N130 I131 Y166 I189 | F88-P128 HydrophobicContact CB-CB 3.95Å; F88-P128 HydrophobicContact CD2-CB 4.26Å; F88-P128 PolarHBondContact N-O 2.95Å; P128-N130 VanDerWaalsContact C-N 3.31Å; P128-I131 PolarHBondContact O-N 3.2Å; P128-Y166 WeakPolarHBondContact CD-OH 3.48Å; P128-Y166 HydrophobicContact CG-CE1 4.38Å; P128-I189 HydrophobicContact CG-CG1 4.4Å; P128-I189 HydrophobicContact CG-CG2 4.45Å |
| 129 | Q | 87.4 | Confident | 90.7 | Very high | 58 Ų | 58 | 30.8 Ų | 30.8 | 27% | 0.271 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -70.8 | -26.2 | 176.7 | -60.9 | 80.7 | 7.2 | 0 | 0 | 113.1 | F88 K127 I131 | F88-Q129 HydrophobicContact CB-CG 4.03Å; F88-Q129 HydrophobicContact CD1-CG 4.22Å; F88-Q129 HydrophobicContact CD2-CG 4.27Å; F88-Q129 HydrophobicContact CG-CG 3.9Å; K127-Q129 HydrophobicContact CG-CB 4.25Å; K127-Q129 VanDerWaalsContact CG-OE1 3.29Å; K127-Q129 PolarHBondContact O-N 2.69Å; K127-Q129 VanDerWaalsContact O-N 3.08Å; Q129-I131 VanDerWaalsContact C-N 3.32Å |
| 130 | N | 92.3 | Very high | 90.9 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -94.6 | 8.7 | -179.3 | -70.9 | 1 | 0 | 0 | 0 | 112.2 | D125 K127 P128 C142 D143 | D125-N130 PolarHBondContact O-ND2 3.19Å; D125-N130 PolarHBondContact OD2-ND2 2.84Å; K127-N130 WeakPolarHBondContact CE-ND2 3.47Å; K127-N130 WeakPolarHBondContact CE-OD1 3.48Å; K127-N130 HydrophobicContact CG-CB 4.05Å; K127-N130 PolarHBondContact O-N 3.25Å; P128-N130 VanDerWaalsContact C-N 3.31Å; N130-C142 PolarHBondContact O-N 2.82Å; N130-C142 PolarHBondContact O-SG 2.74Å; N130-D143 HydrophobicContact CB-CB 4.33Å; N130-D143 PolarHBondContact ND2-OD2 3.19Å; N130-D143 PolarHBondContact OD1-OD2 2.86Å |
| 131 | I | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.8 | 177 | -60.8 | 168.9 | 0 | 0 | 0 | 107.6 | L87 L109 P128 Q129 V139 L141 I189 | L87-I131 HydrophobicContact CB-CB 4.05Å; L87-I131 HydrophobicContact CB-CG2 4.02Å; L87-I131 VanDerWaalsContact CB-O 3.32Å; L87-I131 WeakPolarHBondContact CB-O 3.44Å; L87-I131 HydrophobicContact CD2-CB 4.04Å; L87-I131 HydrophobicContact CD2-CD1 4.12Å; L87-I131 HydrophobicContact CD2-CG2 3.7Å; L87-I131 PolarHBondContact N-O 3.48Å; L109-I131 HydrophobicContact CD1-CD1 3.85Å; L109-I131 HydrophobicContact CD2-CD1 3.98Å; L109-I131 HydrophobicContact CD2-CG1 4.14Å; L109-I131 HydrophobicContact CD2-CG2 4.16Å; P128-I131 PolarHBondContact O-N 3.2Å; Q129-I131 VanDerWaalsContact C-N 3.32Å; I131-V139 HydrophobicContact CG2-CG1 3.44Å; I131-V139 VanDerWaalsContact CG2-CG1 3.44Å; I131-L141 HydrophobicContact CG1-CD1 4.11Å; I131-I189 HydrophobicContact CD1-CD1 3.89Å; I131-I189 HydrophobicContact CD1-CG2 4.01Å |
| 132 | L | 93.8 | Very high | 91.1 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 16% | 0.162 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 160.5 | -180 | -45.3 | 179.8 | 0 | 0 | 0 | 111.1 | V64 A83 G85 Q86 V139 K140 C142 | V64-L132 HydrophobicContact CG2-CD1 3.97Å; A83-L132 HydrophobicContact CB-CB 3.45Å; A83-L132 VanDerWaalsContact CB-CB 3.45Å; A83-L132 HydrophobicContact CB-CD1 3.87Å; A83-L132 HydrophobicContact CB-CG 4.29Å; G85-L132 CarbonylContact O-C 3.46Å; G85-L132 WeakPolarHBondContact O-CA 3.32Å; Q86-L132 HydrophobicContact CG-CD2 3.72Å; L132-V139 CarbonylContact O-C 3.55Å; L132-K140 HydrophobicContact CB-CB 4.14Å; L132-K140 PolarHBondContact N-O 3.48Å; L132-K140 PolarHBondContact O-N 3.47Å; L132-C142 HydrophobicContact CD1-CB 3.94Å; L132-C142 HydrophobicContact CG-CB 4.14Å; L132-C142 VanDerWaalsContact CG-SG 3.6Å |
| 133 | L | 92.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 112.6 | 178.2 | -63.4 | 172.2 | 0 | 0 | 0 | 109 | E84 G85 L87 I90 V139 | E84-L133 PolarHBondContact N-O 3.01Å; G85-L133 PolarHBondContact N-O 2.88Å; G85-L133 PolarHBondContact O-N 2.82Å; L87-L133 HydrophobicContact CD1-CD1 4.39Å; I90-L133 HydrophobicContact CD1-CD1 3.12Å; I90-L133 HydrophobicContact CG1-CD1 3.84Å; L133-V139 HydrophobicContact CD2-CG2 4.09Å |
| 134 | G | 88.2 | Confident | 90.3 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | trans | -80.2 | -169.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G137 V138 | G134-G137 PolarHBondContact O-N 3.01Å; G134-V138 PolarHBondContact N-O 2.87Å | ||
| 135 | K | 83 | Confident | 89.8 | Confident | 150 Ų | 150 | 28.7 Ų | 28.7 | 65% | 0.652 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -58 | 141.9 | 178.2 | -67.8 | -177.8 | 178.4 | -172.5 | 0 | 111 | E84 G137 V138 | E84-K135 WeakPolarHBondContact OE1-CG 3.41Å; K135-G137 PolarHBondContact O-N 3.46Å; K135-V138 WeakPolarHBondContact O-CG2 3.39Å; K135-V138 PolarHBondContact O-N 3.37Å |
| 136 | S | 82.6 | Confident | 89.2 | Confident | 130 Ų | 130 | 29 Ų | 29 | 91% | 0.909 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | 57.4 | 30.5 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 114.2 | V138 | S136-V138 VanDerWaalsContact C-N 3.34Å; S136-V138 PolarHBondContact O-N 3.2Å |
| 137 | G | 83.6 | Confident | 88.9 | Confident | 44 Ų | 44 | 29.2 Ų | 29.2 | 45% | 0.454 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | 77 | 15.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G134 K135 V139 | G134-G137 PolarHBondContact O-N 3.01Å; K135-G137 PolarHBondContact O-N 3.46Å; G137-V139 PolarHBondContact O-N 2.86Å |
| 138 | V | 92.9 | Very high | 88.7 | Confident | 51 Ų | 51 | 33.3 Ų | 33.3 | 31% | 0.309 | 19% | 0.19 | S | C | . | . | trans | -68.5 | 121.5 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 110 | G134 K135 S136 | G134-V138 PolarHBondContact N-O 2.87Å; K135-V138 WeakPolarHBondContact O-CG2 3.39Å; K135-V138 PolarHBondContact O-N 3.37Å; S136-V138 VanDerWaalsContact C-N 3.34Å; S136-V138 PolarHBondContact O-N 3.2Å | ||
| 139 | V | 95.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 136.9 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | N62 I105 Q108 L109 I131 L132 L133 G137 | N62-V139 WeakPolarHBondContact CA-O 3.2Å; N62-V139 WeakPolarHBondContact CB-O 3.49Å; N62-V139 PolarHBondContact ND2-O 3.15Å; I105-V139 HydrophobicContact CB-CG2 4.39Å; I105-V139 HydrophobicContact CG1-CG2 4.08Å; I105-V139 HydrophobicContact CG2-CG2 4.21Å; Q108-V139 HydrophobicContact CB-CB 3.92Å; Q108-V139 HydrophobicContact CB-CG2 4.21Å; L109-V139 HydrophobicContact CD2-CG1 3.61Å; L109-V139 HydrophobicContact CG-CG1 4.07Å; I131-V139 HydrophobicContact CG2-CG1 3.44Å; I131-V139 VanDerWaalsContact CG2-CG1 3.44Å; L132-V139 CarbonylContact O-C 3.55Å; L133-V139 HydrophobicContact CD2-CG2 4.09Å; G137-V139 PolarHBondContact O-N 2.86Å |
| 140 | K | 95.6 | Very high | 88.4 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 105.5 | 178.8 | -66 | -70.9 | -175.8 | 169 | 0 | 110 | P61 V64 E81 L132 | P61-K140 WeakPolarHBondContact O-CD 3.43Å; P61-K140 WeakPolarHBondContact O-CE 3.09Å; P61-K140 PolarHBondContact O-NZ 3.31Å; V64-K140 HydrophobicContact CG2-CB 3.82Å; E81-K140 VanDerWaalsContact CD-CE 3.46Å; E81-K140 WeakPolarHBondContact OE1-CE 3.38Å; E81-K140 IonicContact OE1-NZ 2.89Å; E81-K140 PolarHBondContact OE1-NZ 3.5Å; E81-K140 VanDerWaalsContact OE2-CE 3.27Å; E81-K140 WeakPolarHBondContact OE2-CE 3.4Å; E81-K140 IonicContact OE2-NZ 2.68Å; E81-K140 PolarHBondContact OE2-NZ 3.33Å; L132-K140 HydrophobicContact CB-CB 4.14Å; L132-K140 PolarHBondContact N-O 3.48Å; L132-K140 PolarHBondContact O-N 3.47Å |
| 141 | L | 96.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 131.9 | 172.6 | -172.6 | 60.4 | 0 | 0 | 0 | 110 | N62 V64 A112 L116 M126 I131 | N62-L141 PolarHBondContact O-N 3.45Å; V64-L141 PolarHBondContact N-O 2.83Å; A112-L141 HydrophobicContact CB-CD2 4.46Å; L116-L141 HydrophobicContact CD1-CD2 3.95Å; M126-L141 HydrophobicContact CE-CD1 4.14Å; M126-L141 HydrophobicContact CE-CD2 4.5Å; I131-L141 HydrophobicContact CG1-CD1 4.11Å |
| 142 | C | 91.4 | Very high | 87 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | trans | -136.7 | 177.9 | -177.7 | 77.2 | 0 | 0 | 0 | 0 | 112.1 | V64 H123 N130 L132 | V64-C142 HydrophobicContact CB-CB 4.13Å; V64-C142 HydrophobicContact CG2-CB 3.57Å; H123-C142 PolarHBondContact NE2-O 2.82Å; H123-C142 VanDerWaalsContact NE2-O 3.16Å; N130-C142 PolarHBondContact O-N 2.82Å; N130-C142 PolarHBondContact O-SG 2.74Å; L132-C142 HydrophobicContact CD1-CB 3.94Å; L132-C142 HydrophobicContact CG-CB 4.14Å; L132-C142 VanDerWaalsContact CG-SG 3.6Å | ||
| 143 | D | 85 | Confident | 86.1 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | trans | 67.6 | 80.1 | 175.4 | -162.5 | 10.5 | 0 | 0 | 0 | 113.9 | H123 N130 G145 | H123-D143 PolarHBondContact CE1-O 2.83Å; N130-D143 HydrophobicContact CB-CB 4.33Å; N130-D143 PolarHBondContact ND2-OD2 3.19Å; N130-D143 PolarHBondContact OD1-OD2 2.86Å; D143-G145 VanDerWaalsContact C-N 3.29Å; D143-G145 PolarHBondContact O-N 3.05Å | ||
| 144 | F | 87.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | trans | -91.1 | 15.6 | -179 | -69.5 | -93.4 | 0 | 0 | 0 | 112.5 | E51 I54 M55 L58 I63 L116 F146 A147 | E51-F144 HydrophobicContact CG-CB 3.95Å; I54-F144 HydrophobicContact CG2-CD1 4.06Å; M55-F144 HydrophobicContact CE-CD2 4.27Å; M55-F144 HydrophobicContact CG-CB 4.06Å; M55-F144 HydrophobicContact CG-CD2 3.58Å; M55-F144 HydrophobicContact CG-CE2 4.28Å; M55-F144 HydrophobicContact CG-CG 3.93Å; M55-F144 HydrophobicContact SD-CB 4.43Å; M55-F144 HydrophobicContact SD-CD2 3.85Å; L58-F144 HydrophobicContact CD1-CD1 4.33Å; L58-F144 HydrophobicContact CD1-CE1 3.76Å; L58-F144 HydrophobicContact CD1-CE2 4.49Å; L58-F144 HydrophobicContact CD1-CZ 3.86Å; I63-F144 HydrophobicContact CG2-CE2 3.85Å; I63-F144 HydrophobicContact CG2-CZ 3.57Å; L116-F144 HydrophobicContact CD1-CE1 4.02Å; L116-F144 HydrophobicContact CD1-CZ 4.48Å; L116-F144 HydrophobicContact CD2-CE1 3.84Å; L116-F144 HydrophobicContact CD2-CZ 4.39Å; F144-F146 PolarHBondContact O-N 2.99Å; F144-F146 VanDerWaalsContact O-N 3.13Å; F144-A147 HydrophobicContact CB-CB 3.85Å; F144-A147 HydrophobicContact CD1-CB 3.73Å; F144-A147 HydrophobicContact CG-CB 4.29Å; F144-A147 VanDerWaalsContact O-CB 3.26Å; F144-A147 WeakPolarHBondContact O-CB 3.34Å; F144-A147 PolarHBondContact O-N 3.42Å | ||
| 145 | G | 80.9 | Confident | 85.1 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | D143 | D143-G145 VanDerWaalsContact C-N 3.29Å; D143-G145 PolarHBondContact O-N 3.05Å |
| 146 | F | 79.2 | Confident | 84.9 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 3.2 | 172.3 | -65 | -65.9 | 0 | 0 | 0 | 113.9 | H123 R124 D125 F144 K161 E381 | H123-F146 CarbonylContact O-C 3.58Å; R124-F146 PolarHBondContact NE-O 3.35Å; R124-F146 PolarHBondContact NH2-O 3.22Å; D125-F146 HydrophobicContact CB-CB 3.99Å; D125-F146 HydrophobicContact CB-CD2 3.46Å; D125-F146 VanDerWaalsContact CB-CD2 3.46Å; D125-F146 HydrophobicContact CB-CE2 4.34Å; D125-F146 HydrophobicContact CB-CG 4.08Å; D125-F146 WeakPolarHBondContact OD2-CD2 3.47Å; F144-F146 PolarHBondContact O-N 2.99Å; F144-F146 VanDerWaalsContact O-N 3.13Å; F146-K161 HydrophobicContact CD1-CB 4.11Å; F146-K161 HydrophobicContact CD1-CD 4.01Å; F146-K161 HydrophobicContact CD1-CG 4.36Å; F146-K161 HydrophobicContact CE1-CD 4.16Å; F146-E381 HydrophobicContact CE1-CB 3.68Å; F146-E381 WeakPolarHBondContact CE1-O 3.2Å; F146-E381 HydrophobicContact CZ-CB 4.29Å; F146-E381 WeakPolarHBondContact CZ-O 3.33Å |
| 147 | A | 86.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 5% | 0.05 | 20% | 0.202 | C | C | . | . | trans | -68.1 | 157.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I54 I121 L122 F144 | I54-A147 HydrophobicContact CD1-CB 3.91Å; I54-A147 HydrophobicContact CG2-CB 4.34Å; I121-A147 HydrophobicContact CG2-CB 4.43Å; L122-A147 CarbonylContact O-C 3.52Å; L122-A147 WeakPolarHBondContact O-CA 3.21Å; L122-A147 WeakPolarHBondContact O-CB 3.29Å; F144-A147 HydrophobicContact CB-CB 3.85Å; F144-A147 HydrophobicContact CD1-CB 3.73Å; F144-A147 HydrophobicContact CG-CB 4.29Å; F144-A147 VanDerWaalsContact O-CB 3.26Å; F144-A147 WeakPolarHBondContact O-CB 3.34Å; F144-A147 PolarHBondContact O-N 3.42Å | ||
| 148 | R | 85.9 | Confident | 84.3 | Confident | 102 Ų | 102 | 33.4 Ų | 33.4 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 122.3 | 177.8 | -173.7 | 64.7 | 169.8 | -169 | -0.7 | 111.4 | I121 L122 M150 L157 | I121-R148 WeakPolarHBondContact CA-O 3.37Å; L122-R148 PolarHBondContact N-O 3.09Å; L122-R148 PolarHBondContact O-N 3.01Å; R148-M150 HydrophobicContact CG-SD 4.49Å; R148-L157 HydrophobicContact CB-CD1 4.36Å; R148-L157 HydrophobicContact CG-CD1 4.18Å; R148-L157 HydrophobicContact CG-CD2 4.47Å |
| 149 | A | 86.7 | Confident | 83.3 | Confident | 57 Ų | 57 | 33 Ų | 33 | 47% | 0.471 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I121 | I121-A149 HydrophobicContact CG1-CB 4.26Å |
| 150 | M | 83.1 | Confident | 82.2 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.069 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -97 | 122.6 | -179.2 | -64.4 | -74.7 | -79.9 | 0 | 0 | 110.2 | R120 L122 R148 T154 L157 | R120-M150 HydrophobicContact CB-CB 4.21Å; R120-M150 PolarHBondContact NE-O 2.98Å; R120-M150 VanDerWaalsContact NE-O 3.08Å; R120-M150 WeakPolarHBondContact O-CB 3.43Å; R120-M150 PolarHBondContact O-N 2.74Å; L122-M150 HydrophobicContact CD1-CG 3.64Å; R148-M150 HydrophobicContact CG-SD 4.49Å; M150-T154 HydrophobicContact CE-CG2 3.57Å; M150-T154 WeakPolarHBondContact CE-O 3.39Å; M150-T154 HydrophobicContact SD-CG2 3.98Å; M150-L157 HydrophobicContact CE-CD2 4.09Å; M150-L157 HydrophobicContact CE-CG 3.9Å; M150-L157 HydrophobicContact SD-CD1 3.77Å; M150-L157 HydrophobicContact SD-CD2 3.47Å; M150-L157 WeakPolarHBondContact SD-CD2 3.28Å; M150-L157 HydrophobicContact SD-CG 3.55Å; M150-L157 VanDerWaalsContact SD-CG 3.55Å |
| 151 | S | 82.6 | Confident | 81.1 | Confident | 54 Ų | 54 | 35.1 Ų | 35.1 | 38% | 0.378 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 161.8 | 170.3 | 72.5 | 0 | 0 | 0 | 0 | 111.1 | R120 S153 T154 | R120-S151 PolarHBondContact NE-O 2.98Å; R120-S151 PolarHBondContact NH2-O 3.44Å; S151-S153 PolarHBondContact O-N 3.45Å; S151-S153 PolarHBondContact OG-OG 3.38Å; S151-T154 PolarHBondContact O-N 3.26Å; S151-T154 VanDerWaalsContact O-N 3.09Å; S151-T154 VanDerWaalsContact O-O 3.09Å; S151-T154 WeakPolarHBondContact OG-CB 3.39Å; S151-T154 PolarHBondContact OG-N 3.4Å; S151-T154 VanDerWaalsContact OG-N 3.11Å; S151-T154 PolarHBondContact OG-OG1 3.28Å |
| 152 | V | 75.9 | Confident | 79.7 | Confident | 94 Ų | 94 | 35.2 Ų | 35.2 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.4 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 153 | S | 74.9 | Confident | 79 | Confident | 86 Ų | 86 | 35.5 Ų | 35.5 | 60% | 0.601 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -20.5 | 176.9 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | S151 Q285 | S151-S153 PolarHBondContact O-N 3.45Å; S151-S153 PolarHBondContact OG-OG 3.38Å; S153-Q285 PolarHBondContact O-NE2 3.02Å |
| 154 | T | 79.3 | Confident | 78.8 | Confident | 36 Ų | 36 | 34.6 Ų | 34.6 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | trans | -95 | 117.2 | -179 | -50.7 | 0 | 0 | 0 | 0 | 109.5 | R120 M150 S151 L157 | R120-T154 PolarHBondContact NH2-O 3.41Å; R120-T154 VanDerWaalsContact NH2-O 3.09Å; M150-T154 HydrophobicContact CE-CG2 3.57Å; M150-T154 WeakPolarHBondContact CE-O 3.39Å; M150-T154 HydrophobicContact SD-CG2 3.98Å; S151-T154 PolarHBondContact O-N 3.26Å; S151-T154 VanDerWaalsContact O-N 3.09Å; S151-T154 VanDerWaalsContact O-O 3.09Å; S151-T154 WeakPolarHBondContact OG-CB 3.39Å; S151-T154 PolarHBondContact OG-N 3.4Å; S151-T154 VanDerWaalsContact OG-N 3.11Å; S151-T154 PolarHBondContact OG-OG1 3.28Å; T154-L157 HydrophobicContact CG2-CD2 4.25Å | ||
| 155 | L | 79.5 | Confident | 78.5 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | trans | -108.9 | -21.7 | 179 | -60.8 | 174.3 | 0 | 0 | 0 | 112.9 | V278 R281 K282 | L155-V278 HydrophobicContact CD1-CG1 4.14Å; L155-V278 HydrophobicContact CD2-CG1 4.11Å; L155-R281 HydrophobicContact CD1-CB 3.96Å; L155-K282 HydrophobicContact CB-CB 4.19Å; L155-K282 HydrophobicContact CB-CG 4.17Å; L155-K282 HydrophobicContact CD1-CB 3.86Å | ||
| 156 | V | 78.8 | Confident | 79 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | trans | -141.5 | 149.3 | 178.4 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | P176 Y177 K282 Q285 V286 K289 | V156-P176 HydrophobicContact CB-CB 4Å; V156-P176 HydrophobicContact CG2-CB 3.94Å; V156-Y177 CarbonylContact C-O 3.58Å; V156-Y177 VanDerWaalsContact CA-O 3.27Å; V156-Y177 WeakPolarHBondContact CA-O 3.24Å; V156-K282 HydrophobicContact CG1-CG 4.09Å; V156-Q285 HydrophobicContact CG2-CB 3.86Å; V156-V286 HydrophobicContact CG1-CG2 3.75Å; V156-V286 HydrophobicContact CG2-CG2 4.26Å; V156-K289 HydrophobicContact CG2-CD 4.1Å; V156-K289 PolarHBondContact O-NZ 3.33Å | ||
| 157 | L | 76 | Confident | 79.6 | Confident | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -111.5 | 155.9 | 177.5 | -64.2 | 179.4 | 0 | 0 | 0 | 111 | L122 R148 M150 T154 P176 Y177 | L122-L157 HydrophobicContact CD2-CD1 3.94Å; R148-L157 HydrophobicContact CB-CD1 4.36Å; R148-L157 HydrophobicContact CG-CD1 4.18Å; R148-L157 HydrophobicContact CG-CD2 4.47Å; M150-L157 HydrophobicContact CE-CD2 4.09Å; M150-L157 HydrophobicContact CE-CG 3.9Å; M150-L157 HydrophobicContact SD-CD1 3.77Å; M150-L157 HydrophobicContact SD-CD2 3.47Å; M150-L157 WeakPolarHBondContact SD-CD2 3.28Å; M150-L157 HydrophobicContact SD-CG 3.55Å; M150-L157 VanDerWaalsContact SD-CG 3.55Å; T154-L157 HydrophobicContact CG2-CD2 4.25Å; L157-P176 CarbonylContact O-C 3.52Å; L157-P176 WeakPolarHBondContact O-CA 3.44Å; L157-Y177 HydrophobicContact CB-CD1 4.43Å; L157-Y177 HydrophobicContact CB-CE1 3.96Å; L157-Y177 HydrophobicContact CB-CE2 4.07Å; L157-Y177 HydrophobicContact CD1-CE2 4.16Å; L157-Y177 PolarHBondContact N-O 3.45Å; L157-Y177 WeakPolarHBondContact O-CD1 3.31Å; L157-Y177 PolarHBondContact O-N 3.34Å |
| 158 | T | 76.8 | Confident | 79.9 | Confident | 77 Ų | 77 | 35.8 Ų | 35.8 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | trans | -122 | -9 | 178.8 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | I160 P176 K289 | T158-I160 PolarHBondContact O-N 3.24Å; T158-P176 HydrophobicContact CG2-CB 4.39Å; T158-P176 HydrophobicContact CG2-CG 4.22Å; T158-K289 HydrophobicContact CG2-CB 3.97Å; T158-K289 HydrophobicContact CG2-CD 3.91Å; T158-K289 HydrophobicContact CG2-CG 4.47Å | ||
| 159 | S | 73.3 | Confident | 80.3 | Confident | 43 Ų | 43 | 31.1 Ų | 31.1 | 30% | 0.301 | 20% | 0.195 | S | C | . | . | trans | -74 | 125.9 | -177 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | R124 K161 Y177 | R124-S159 PolarHBondContact NH1-OG 2.89Å; S159-K161 PolarHBondContact O-N 3.26Å; S159-Y177 VanDerWaalsContact O-CE1 3.23Å; S159-Y177 WeakPolarHBondContact O-CE1 3.45Å; S159-Y177 PolarHBondContact O-OH 3.13Å; S159-Y177 PolarHBondContact OG-OH 2.87Å | ||
| 160 | I | 72.3 | Confident | 80.5 | Confident | 34 Ų | 34 | 28.8 Ų | 28.8 | 17% | 0.174 | 17% | 0.174 | C | C | . | . | trans | -78.8 | 116.1 | 173.7 | -52.1 | 165.6 | 0 | 0 | 0 | 108.6 | T158 M167 I171 E174 L299 V380 | T158-I160 PolarHBondContact O-N 3.24Å; I160-M167 HydrophobicContact CG2-CE 4.35Å; I160-M167 HydrophobicContact CG2-SD 4.47Å; I160-I171 HydrophobicContact CG2-CG2 4.14Å; I160-E174 HydrophobicContact CD1-CB 4.29Å; I160-E174 HydrophobicContact CD1-CG 3.64Å; I160-L299 HydrophobicContact CD1-CD1 4.46Å; I160-V380 HydrophobicContact CG2-CG1 4.17Å | ||
| 161 | K | 70.6 | Confident | 80.8 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | trans | -146.3 | 154.4 | 179.9 | -62 | -67.2 | 172.7 | 173.4 | 0 | 109.4 | F146 S159 E381 | F146-K161 HydrophobicContact CD1-CB 4.11Å; F146-K161 HydrophobicContact CD1-CD 4.01Å; F146-K161 HydrophobicContact CD1-CG 4.36Å; F146-K161 HydrophobicContact CE1-CD 4.16Å; S159-K161 PolarHBondContact O-N 3.26Å; K161-E381 HydrophobicContact CD-CB 4.11Å; K161-E381 VanDerWaalsContact NZ-CG 3.33Å; K161-E381 IonicContact NZ-OE1 3.81Å; K161-E381 PolarHBondContact NZ-OE1 3.48Å; K161-E381 VanDerWaalsContact NZ-OE1 3.07Å; K161-E381 IonicContact NZ-OE2 3.26Å; K161-E381 PolarHBondContact NZ-OE2 3.06Å | ||
| 162 | G | 68.6 | Low | 80.9 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 111.6 | -171.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | R124 D125 M167 | R124-G162 WeakPolarHBondContact O-CA 2.79Å; D125-G162 WeakPolarHBondContact OD1-CA 3.31Å; G162-M167 VanDerWaalsContact C-CE 3.44Å; G162-M167 WeakPolarHBondContact O-CE 3.21Å |
| 163 | T | 76.3 | Confident | 81.2 | Confident | 24 Ų | 24 | 24.2 Ų | 24.2 | 15% | 0.147 | 14% | 0.141 | C | C | . | . | trans | -96.6 | 123.3 | -177.7 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | D125 K127 L165 Y166 M167 | D125-T163 PolarHBondContact OD1-N 3.08Å; D125-T163 PolarHBondContact OD1-OG1 2.98Å; K127-T163 WeakPolarHBondContact CD-OG1 3.47Å; T163-L165 VanDerWaalsContact C-N 3.27Å; T163-L165 PolarHBondContact O-N 3.35Å; T163-Y166 HydrophobicContact CG2-CD2 3.96Å; T163-Y166 HydrophobicContact CG2-CE2 4.14Å; T163-Y166 PolarHBondContact O-N 2.95Å; T163-M167 PolarHBondContact O-N 2.97Å | ||
| 164 | P | 79.6 | Confident | 81.6 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -53 | -31.8 | -169.1 | -32.4 | 35.9 | 0 | 0 | 0 | 117.4 | Y166 M167 I205 L208 Y373 | P164-Y166 PolarHBondContact O-N 3.46Å; P164-M167 HydrophobicContact CG-CE 4.34Å; P164-M167 PolarHBondContact O-N 2.84Å; P164-I205 HydrophobicContact CB-CD1 3.47Å; P164-I205 VanDerWaalsContact CB-CD1 3.47Å; P164-I205 HydrophobicContact CG-CD1 3.9Å; P164-L208 HydrophobicContact CB-CD2 4.08Å; P164-Y373 HydrophobicContact CG-CD1 3.95Å; P164-Y373 HydrophobicContact CG-CE1 4.03Å; P164-Y373 HydrophobicContact CG-CG 4.26Å |
| 165 | L | 82.6 | Confident | 81.9 | Confident | 34 Ų | 34 | 26.1 Ų | 26.1 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -65.2 | -23.2 | 178.4 | -73.7 | 168.5 | 0 | 0 | 0 | 113.6 | T163 F200 Y201 L208 I369 | T163-L165 VanDerWaalsContact C-N 3.27Å; T163-L165 PolarHBondContact O-N 3.35Å; L165-F200 WeakPolarHBondContact CD2-O 3.18Å; L165-Y201 HydrophobicContact CD2-CD2 4.03Å; L165-L208 HydrophobicContact CD2-CD1 4.05Å; L165-L208 HydrophobicContact CD2-CD2 3.82Å; L165-L208 HydrophobicContact CG-CD2 4.27Å; L165-I369 HydrophobicContact CD2-CD1 4.49Å |
| 166 | Y | 91.2 | Very high | 82.2 | Confident | 15 Ų | 15 | 26 Ų | 26 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -113.7 | 1.4 | -176.3 | -49.7 | -82 | 0 | 0 | 0 | 112.6 | K127 P128 T163 P164 C188 I189 E192 | K127-Y166 HydrophobicContact CB-CD2 3.8Å; K127-Y166 HydrophobicContact CB-CE2 3.64Å; K127-Y166 HydrophobicContact CB-CG 4.46Å; P128-Y166 WeakPolarHBondContact CD-OH 3.48Å; P128-Y166 HydrophobicContact CG-CE1 4.38Å; T163-Y166 HydrophobicContact CG2-CD2 3.96Å; T163-Y166 HydrophobicContact CG2-CE2 4.14Å; T163-Y166 PolarHBondContact O-N 2.95Å; P164-Y166 PolarHBondContact O-N 3.46Å; Y166-C188 HydrophobicContact CD1-CB 3.84Å; Y166-I189 HydrophobicContact CD1-CG1 3.97Å; Y166-I189 HydrophobicContact CE1-CG1 3.98Å; Y166-E192 WeakPolarHBondContact CE1-OE2 3.36Å; Y166-E192 PolarHBondContact OH-OE2 3.26Å |
| 167 | M | 91.1 | Very high | 82.7 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | trans | -68.9 | 141.4 | 176.6 | -70.5 | -176.5 | -176.9 | 0 | 0 | 111.1 | I160 G162 T163 P164 I171 V172 W184 | I160-M167 HydrophobicContact CG2-CE 4.35Å; I160-M167 HydrophobicContact CG2-SD 4.47Å; G162-M167 VanDerWaalsContact C-CE 3.44Å; G162-M167 WeakPolarHBondContact O-CE 3.21Å; T163-M167 PolarHBondContact O-N 2.97Å; P164-M167 HydrophobicContact CG-CE 4.34Å; P164-M167 PolarHBondContact O-N 2.84Å; M167-I171 HydrophobicContact CB-CB 4.49Å; M167-I171 HydrophobicContact CB-CG2 4.28Å; M167-I171 HydrophobicContact CG-CG2 4.16Å; M167-I171 HydrophobicContact SD-CG2 3.91Å; M167-V172 HydrophobicContact CB-CG1 3.71Å; M167-V172 HydrophobicContact SD-CG1 4.14Å; M167-W184 PolarHBondContact O-NE1 3.39Å | ||
| 168 | S | 93.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | trans | -76.1 | 158.7 | 175.7 | 64 | 0 | 0 | 0 | 0 | 112.2 | E170 I171 V172 W184 | S168-E170 VanDerWaalsContact C-N 3.27Å; S168-E170 VanDerWaalsContact CB-CD 3.47Å; S168-E170 WeakPolarHBondContact CB-OE1 3.22Å; S168-E170 PolarHBondContact O-N 2.73Å; S168-E170 PolarHBondContact OG-OE1 3.47Å; S168-E170 PolarHBondContact OG-OE2 3.31Å; S168-I171 PolarHBondContact O-N 3.36Å; S168-I171 WeakPolarHBondContact OG-CG1 3.39Å; S168-V172 PolarHBondContact O-N 3.06Å; S168-W184 VanDerWaalsContact CA-CD1 3.44Å | ||
| 169 | P | 92.8 | Very high | 84.3 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -53.2 | -43.6 | 179 | -28.1 | 37 | 0 | 0 | 0 | 112.9 | I171 V172 E173 W184 I212 K237 | P169-I171 VanDerWaalsContact C-N 3.31Å; P169-I171 PolarHBondContact O-N 2.92Å; P169-V172 WeakPolarHBondContact O-CG2 3.2Å; P169-V172 PolarHBondContact O-N 3.11Å; P169-E173 WeakPolarHBondContact O-CB 3.35Å; P169-E173 VanDerWaalsContact O-CG 3.25Å; P169-E173 WeakPolarHBondContact O-CG 3.26Å; P169-E173 PolarHBondContact O-N 3.14Å; P169-W184 HydrophobicContact CG-CE3 4.45Å; P169-W184 HydrophobicContact CG-CH2 3.71Å; P169-W184 HydrophobicContact CG-CZ2 4Å; P169-W184 HydrophobicContact CG-CZ3 3.95Å; P169-I212 HydrophobicContact CB-CG2 4.33Å; P169-I212 HydrophobicContact CG-CG2 3.94Å; P169-K237 HydrophobicContact CG-CB 4.07Å; P169-K237 HydrophobicContact CG-CG 4.25Å |
| 170 | E | 91.9 | Very high | 85.4 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 3% | 0.033 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -30.7 | 179.3 | 63.5 | -81.5 | -175.4 | 0 | 0 | 113.5 | S168 E174 K175 R242 | S168-E170 VanDerWaalsContact C-N 3.27Å; S168-E170 VanDerWaalsContact CB-CD 3.47Å; S168-E170 WeakPolarHBondContact CB-OE1 3.22Å; S168-E170 PolarHBondContact O-N 2.73Å; S168-E170 PolarHBondContact OG-OE1 3.47Å; S168-E170 PolarHBondContact OG-OE2 3.31Å; E170-E174 PolarHBondContact O-N 3.46Å; E170-K175 HydrophobicContact CB-CB 4.21Å; E170-K175 WeakPolarHBondContact O-CB 3.35Å; E170-K175 PolarHBondContact O-N 3.19Å; E170-R242 IonicContact OE1-CZ 3.83Å; E170-R242 IonicContact OE1-NH1 2.78Å; E170-R242 PolarHBondContact OE1-NH1 3.33Å; E170-R242 IonicContact OE1-NH2 2.95Å; E170-R242 PolarHBondContact OE1-NH2 3.42Å; E170-R242 IonicContact OE2-CZ 3.9Å; E170-R242 IonicContact OE2-NH1 3.17Å; E170-R242 IonicContact OE2-NH2 3.87Å; E170-R242 PolarHBondContact OE2-NH2 2.83Å |
| 171 | I | 89.4 | Confident | 86.5 | Confident | 12 Ų | 12 | 20.3 Ų | 20.3 | 6% | 0.062 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.8 | -45.4 | 176 | -68.8 | 174.2 | 0 | 0 | 0 | 110.8 | I160 M167 S168 P169 E173 E174 Y177 A181 | I160-I171 HydrophobicContact CG2-CG2 4.14Å; M167-I171 HydrophobicContact CB-CB 4.49Å; M167-I171 HydrophobicContact CB-CG2 4.28Å; M167-I171 HydrophobicContact CG-CG2 4.16Å; M167-I171 HydrophobicContact SD-CG2 3.91Å; S168-I171 PolarHBondContact O-N 3.36Å; S168-I171 WeakPolarHBondContact OG-CG1 3.39Å; P169-I171 VanDerWaalsContact C-N 3.31Å; P169-I171 PolarHBondContact O-N 2.92Å; I171-E173 PolarHBondContact O-N 3.45Å; I171-E174 PolarHBondContact O-N 2.87Å; I171-Y177 HydrophobicContact CD1-CD1 4.37Å; I171-Y177 HydrophobicContact CD1-CD2 4.05Å; I171-Y177 HydrophobicContact CD1-CE1 4.44Å; I171-Y177 HydrophobicContact CD1-CE2 4.14Å; I171-Y177 HydrophobicContact CD1-CG 4.17Å; I171-Y177 HydrophobicContact CG1-CD1 3.7Å; I171-Y177 HydrophobicContact CG1-CD2 4.16Å; I171-Y177 HydrophobicContact CG1-CE1 4.05Å; I171-Y177 HydrophobicContact CG1-CE2 4.5Å; I171-Y177 HydrophobicContact CG1-CG 3.75Å; I171-A181 HydrophobicContact CD1-CB 3.75Å |
| 172 | V | 85.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.024 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.2 | -22.5 | 180 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | M167 S168 P169 E174 V209 I212 V213 | M167-V172 HydrophobicContact CB-CG1 3.71Å; M167-V172 HydrophobicContact SD-CG1 4.14Å; S168-V172 PolarHBondContact O-N 3.06Å; P169-V172 WeakPolarHBondContact O-CG2 3.2Å; P169-V172 PolarHBondContact O-N 3.11Å; V172-E174 VanDerWaalsContact C-N 3.28Å; V172-V209 HydrophobicContact CB-CG1 4.13Å; V172-V209 HydrophobicContact CB-CG2 4.21Å; V172-V209 HydrophobicContact CG1-CG2 4.47Å; V172-V209 HydrophobicContact CG2-CG1 4.15Å; V172-I212 HydrophobicContact CG1-CD1 4.37Å; V172-I212 HydrophobicContact CG2-CG2 3.96Å; V172-V213 HydrophobicContact CG2-CG2 3.85Å |
| 173 | E | 82.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 19.1 Ų | 19.1 | 24% | 0.238 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3 | 170.1 | -68.1 | -177.3 | 110.9 | 0 | 0 | 113.2 | P169 I171 K175 V213 | P169-E173 WeakPolarHBondContact O-CB 3.35Å; P169-E173 VanDerWaalsContact O-CG 3.25Å; P169-E173 WeakPolarHBondContact O-CG 3.26Å; P169-E173 PolarHBondContact O-N 3.14Å; I171-E173 PolarHBondContact O-N 3.45Å; E173-K175 HydrophobicContact CB-CD 4.06Å; E173-K175 HydrophobicContact CB-CG 4.08Å; E173-K175 PolarHBondContact O-N 2.89Å; E173-K175 IonicContact OE1-NZ 3.29Å; E173-K175 PolarHBondContact OE1-NZ 3.44Å; E173-K175 WeakPolarHBondContact OE2-CE 3.28Å; E173-K175 IonicContact OE2-NZ 3.49Å; E173-K175 PolarHBondContact OE2-NZ 3.42Å; E173-V213 HydrophobicContact CG-CG1 4.5Å; E173-V213 HydrophobicContact CG-CG2 3.7Å |
| 174 | E | 82.2 | Confident | 90.2 | Very high | 62 Ų | 62 | 18 Ų | 18 | 29% | 0.29 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 28.2 | 178 | -45.1 | 176.1 | -163.9 | 0 | 0 | 113.2 | I160 E170 I171 V172 S297 I298 L299 | I160-E174 HydrophobicContact CD1-CB 4.29Å; I160-E174 HydrophobicContact CD1-CG 3.64Å; E170-E174 PolarHBondContact O-N 3.46Å; I171-E174 PolarHBondContact O-N 2.87Å; V172-E174 VanDerWaalsContact C-N 3.28Å; E174-S297 PolarHBondContact OE1-OG 3.18Å; E174-I298 PolarHBondContact OE1-N 3.11Å; E174-I298 VanDerWaalsContact OE1-N 3.1Å; E174-I298 PolarHBondContact OE2-N 3.15Å; E174-L299 HydrophobicContact CG-CD1 4.23Å; E174-L299 PolarHBondContact OE1-N 3.48Å |
| 175 | K | 85.3 | Confident | 91 | Very high | 99 Ų | 99 | 18 Ų | 18 | 43% | 0.43 | 9% | 0.089 | S | C | . | . | trans | -88.7 | 154.7 | 178.7 | -65.6 | 174 | -175.2 | 160.9 | 0 | 111.1 | E170 E173 Y177 | E170-K175 HydrophobicContact CB-CB 4.21Å; E170-K175 WeakPolarHBondContact O-CB 3.35Å; E170-K175 PolarHBondContact O-N 3.19Å; E173-K175 HydrophobicContact CB-CD 4.06Å; E173-K175 HydrophobicContact CB-CG 4.08Å; E173-K175 PolarHBondContact O-N 2.89Å; E173-K175 IonicContact OE1-NZ 3.29Å; E173-K175 PolarHBondContact OE1-NZ 3.44Å; E173-K175 WeakPolarHBondContact OE2-CE 3.28Å; E173-K175 IonicContact OE2-NZ 3.49Å; E173-K175 PolarHBondContact OE2-NZ 3.42Å; K175-Y177 PolarHBondContact O-N 2.89Å | ||
| 176 | P | 86.7 | Confident | 91.7 | Very high | 20 Ų | 20 | 16.4 Ų | 16.4 | 13% | 0.13 | 8% | 0.08 | C | C | . | . | trans | -58.7 | 131.1 | 172.3 | -22.8 | 32.8 | 0 | 0 | 0 | 112 | V156 L157 T158 V286 K289 | V156-P176 HydrophobicContact CB-CB 4Å; V156-P176 HydrophobicContact CG2-CB 3.94Å; L157-P176 CarbonylContact O-C 3.52Å; L157-P176 WeakPolarHBondContact O-CA 3.44Å; T158-P176 HydrophobicContact CG2-CB 4.39Å; T158-P176 HydrophobicContact CG2-CG 4.22Å; P176-V286 HydrophobicContact CB-CG2 4.42Å; P176-K289 HydrophobicContact CG-CB 3.88Å | ||
| 177 | Y | 89.9 | Confident | 92 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 3% | 0.031 | 8% | 0.077 | C | C | . | . | B | Isolated β-bridge | trans | -128.8 | 166.6 | -176.7 | 69.4 | -87.4 | 0 | 0 | 0 | 112.5 | R124 V156 L157 S159 I171 K175 A181 | R124-Y177 WeakPolarHBondContact CD-OH 3.4Å; V156-Y177 CarbonylContact C-O 3.58Å; V156-Y177 VanDerWaalsContact CA-O 3.27Å; V156-Y177 WeakPolarHBondContact CA-O 3.24Å; L157-Y177 HydrophobicContact CB-CD1 4.43Å; L157-Y177 HydrophobicContact CB-CE1 3.96Å; L157-Y177 HydrophobicContact CB-CE2 4.07Å; L157-Y177 HydrophobicContact CD1-CE2 4.16Å; L157-Y177 PolarHBondContact N-O 3.45Å; L157-Y177 WeakPolarHBondContact O-CD1 3.31Å; L157-Y177 PolarHBondContact O-N 3.34Å; S159-Y177 VanDerWaalsContact O-CE1 3.23Å; S159-Y177 WeakPolarHBondContact O-CE1 3.45Å; S159-Y177 PolarHBondContact O-OH 3.13Å; S159-Y177 PolarHBondContact OG-OH 2.87Å; I171-Y177 HydrophobicContact CD1-CD1 4.37Å; I171-Y177 HydrophobicContact CD1-CD2 4.05Å; I171-Y177 HydrophobicContact CD1-CE1 4.44Å; I171-Y177 HydrophobicContact CD1-CE2 4.14Å; I171-Y177 HydrophobicContact CD1-CG 4.17Å; I171-Y177 HydrophobicContact CG1-CD1 3.7Å; I171-Y177 HydrophobicContact CG1-CD2 4.16Å; I171-Y177 HydrophobicContact CG1-CE1 4.05Å; I171-Y177 HydrophobicContact CG1-CE2 4.5Å; I171-Y177 HydrophobicContact CG1-CG 3.75Å; K175-Y177 PolarHBondContact O-N 2.89Å; Y177-A181 HydrophobicContact CD2-CB 3.95Å |
| 178 | D | 92.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 15.3 Ų | 15.3 | 6% | 0.059 | 8% | 0.076 | C | C | . | . | trans | -136.5 | -161.2 | 177.3 | 74.4 | -8.2 | 0 | 0 | 0 | 112 | T180 A181 K282 | D178-T180 PolarHBondContact O-N 2.89Å; D178-T180 WeakPolarHBondContact OD1-CB 3.41Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.42Å; D178-T180 PolarHBondContact OD1-N 3.45Å; D178-T180 PolarHBondContact OD1-OG1 3.26Å; D178-A181 WeakPolarHBondContact O-CB 3.49Å; D178-A181 PolarHBondContact O-N 3.35Å; D178-A181 VanDerWaalsContact O-N 3.1Å; D178-K282 WeakPolarHBondContact OD2-CE 3.48Å; D178-K282 IonicContact OD2-NZ 2.96Å; D178-K282 PolarHBondContact OD2-NZ 3.12Å | ||
| 179 | H | 94 | Very high | 92.5 | Very high | 17 Ų | 17 | 15.2 Ų | 15.2 | 8% | 0.079 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -17.9 | -179.4 | 71.2 | -78.2 | 0 | 0 | 0 | 115 | H117 L122 A181 D182 S244 W245 L270 | H117-H179 PolarHBondContact CE1-O 3.34Å; H117-H179 VanDerWaalsContact CE1-O 3.31Å; H117-H179 AromaticContact ND1-CD2 3.73Å; L122-H179 HydrophobicContact CD1-CB 4.12Å; L122-H179 HydrophobicContact CG-CB 4.2Å; H179-A181 PolarHBondContact O-N 3.27Å; H179-D182 PolarHBondContact O-N 3.1Å; H179-S244 PolarHBondContact NE2-OG 2.87Å; H179-W245 AromaticContact CD2-CD1 3.68Å; H179-W245 AromaticContact CD2-NE1 3.84Å; H179-W245 AromaticContact NE2-CD1 3.63Å; H179-L270 HydrophobicContact CB-CD1 4.03Å |
| 180 | T | 95.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 15 Ų | 15 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.4 | -14.7 | 176.1 | 62.5 | 0 | 0 | 0 | 0 | 113.2 | D178 L183 W184 R242 | D178-T180 PolarHBondContact O-N 2.89Å; D178-T180 WeakPolarHBondContact OD1-CB 3.41Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.42Å; D178-T180 PolarHBondContact OD1-N 3.45Å; D178-T180 PolarHBondContact OD1-OG1 3.26Å; T180-L183 PolarHBondContact O-N 3.12Å; T180-W184 PolarHBondContact O-N 3.43Å; T180-R242 PolarHBondContact O-NH1 2.78Å |
| 181 | A | 95.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 7% | 0.074 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.8 | -37.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | I171 Y177 D178 H179 L183 W184 A185 | I171-A181 HydrophobicContact CD1-CB 3.75Å; Y177-A181 HydrophobicContact CD2-CB 3.95Å; D178-A181 WeakPolarHBondContact O-CB 3.49Å; D178-A181 PolarHBondContact O-N 3.35Å; D178-A181 VanDerWaalsContact O-N 3.1Å; H179-A181 PolarHBondContact O-N 3.27Å; A181-L183 VanDerWaalsContact C-N 3.27Å; A181-L183 PolarHBondContact O-N 3.49Å; A181-W184 WeakPolarHBondContact O-CB 3.38Å; A181-W184 PolarHBondContact O-N 3.31Å; A181-A185 PolarHBondContact O-N 3.01Å; A181-A185 VanDerWaalsContact O-N 3.11Å |
| 182 | D | 96.9 | Very high | 93.2 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.8 | -32.2 | 175.6 | -72.7 | -28.3 | 0 | 0 | 0 | 111 | L113 H117 L122 H123 R124 M126 H179 A185 L186 | L113-D182 HydrophobicContact CD2-CB 4.05Å; H117-D182 IonicContact NE2-OD2 3.72Å; H117-D182 PolarHBondContact NE2-OD2 3.48Å; L122-D182 WeakPolarHBondContact CA-OD2 3.48Å; H123-D182 PolarHBondContact N-OD2 3.16Å; R124-D182 WeakPolarHBondContact CA-OD1 3.45Å; R124-D182 PolarHBondContact N-OD1 2.97Å; M126-D182 HydrophobicContact SD-CB 4.4Å; H179-D182 PolarHBondContact O-N 3.1Å; D182-A185 PolarHBondContact O-N 3.41Å; D182-L186 PolarHBondContact O-N 3.4Å |
| 183 | L | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.5 | -35.5 | 175.2 | -56.1 | -176 | 0 | 0 | 0 | 112.4 | L113 T180 A181 G187 L234 L243 W245 L248 | L113-L183 HydrophobicContact CD1-CD2 4.12Å; T180-L183 PolarHBondContact O-N 3.12Å; A181-L183 VanDerWaalsContact C-N 3.27Å; A181-L183 PolarHBondContact O-N 3.49Å; L183-G187 PolarHBondContact O-N 2.92Å; L183-G187 VanDerWaalsContact O-N 3.09Å; L183-L234 HydrophobicContact CB-CD2 4.13Å; L183-L243 WeakPolarHBondContact CD1-O 3.48Å; L183-W245 HydrophobicContact CD2-CZ2 4.09Å; L183-L248 HydrophobicContact CD1-CD1 3.86Å; L183-L248 HydrophobicContact CD2-CD1 3.83Å; L183-L248 HydrophobicContact CG-CD1 4.33Å |
| 184 | W | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 171 | 171.6 | -84.6 | 0 | 0 | 0 | 111.3 | M167 S168 P169 T180 A181 L186 G187 C188 F200 I212 L235 K237 | M167-W184 PolarHBondContact O-NE1 3.39Å; S168-W184 VanDerWaalsContact CA-CD1 3.44Å; P169-W184 HydrophobicContact CG-CE3 4.45Å; P169-W184 HydrophobicContact CG-CH2 3.71Å; P169-W184 HydrophobicContact CG-CZ2 4Å; P169-W184 HydrophobicContact CG-CZ3 3.95Å; T180-W184 PolarHBondContact O-N 3.43Å; A181-W184 WeakPolarHBondContact O-CB 3.38Å; A181-W184 PolarHBondContact O-N 3.31Å; W184-L186 VanDerWaalsContact C-N 3.29Å; W184-L186 PolarHBondContact O-N 2.92Å; W184-G187 WeakPolarHBondContact O-CA 3.39Å; W184-G187 PolarHBondContact O-N 3.42Å; W184-C188 PolarHBondContact O-N 2.96Å; W184-F200 HydrophobicContact CH2-CE2 4.07Å; W184-F200 AromaticContact CZ2-CE2 3.8Å; W184-F200 HydrophobicContact CZ2-CE2 3.8Å; W184-I212 HydrophobicContact CZ2-CG2 4.26Å; W184-L235 HydrophobicContact CD2-CD2 4.01Å; W184-L235 HydrophobicContact CE3-CD2 4.11Å; W184-L235 HydrophobicContact CH2-CD2 4.47Å; W184-L235 HydrophobicContact CZ2-CD2 4.38Å; W184-L235 VanDerWaalsContact CZ3-C 3.43Å; W184-L235 HydrophobicContact CZ3-CB 4.27Å; W184-L235 HydrophobicContact CZ3-CD2 4.35Å; W184-L235 VanDerWaalsContact CZ3-O 3.28Å; W184-L235 WeakPolarHBondContact CZ3-O 3.44Å; W184-K237 HydrophobicContact CH2-CG 4.22Å; W184-K237 HydrophobicContact CZ3-CG 4.27Å |
| 185 | A | 97 | Very high | 94.8 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 4% | 0.041 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M126 A181 D182 G187 C188 I189 | M126-A185 HydrophobicContact CB-CB 3.87Å; A181-A185 PolarHBondContact O-N 3.01Å; A181-A185 VanDerWaalsContact O-N 3.11Å; D182-A185 PolarHBondContact O-N 3.41Å; A185-G187 VanDerWaalsContact C-N 3.33Å; A185-G187 PolarHBondContact O-N 3.21Å; A185-C188 PolarHBondContact O-N 3.47Å; A185-I189 WeakPolarHBondContact O-CD1 3.47Å; A185-I189 VanDerWaalsContact O-CG1 3.28Å; A185-I189 WeakPolarHBondContact O-CG1 3.35Å; A185-I189 PolarHBondContact O-N 3.41Å |
| 186 | L | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -55.9 | -46.7 | 170.6 | 175.8 | 65 | 0 | 0 | 0 | 111.7 | L109 V110 L113 D182 W184 C188 I189 L190 L234 | L109-L186 HydrophobicContact CB-CD1 3.68Å; L109-L186 HydrophobicContact CD1-CD1 3.65Å; L109-L186 HydrophobicContact CG-CD1 4.32Å; V110-L186 HydrophobicContact CG2-CD2 3.78Å; L113-L186 HydrophobicContact CD1-CB 4.2Å; L113-L186 HydrophobicContact CD1-CD2 4.06Å; D182-L186 PolarHBondContact O-N 3.4Å; W184-L186 VanDerWaalsContact C-N 3.29Å; W184-L186 PolarHBondContact O-N 2.92Å; L186-C188 VanDerWaalsContact C-N 3.33Å; L186-C188 PolarHBondContact O-N 3.47Å; L186-I189 PolarHBondContact O-N 3.41Å; L186-L190 HydrophobicContact CD1-CD1 3.9Å; L186-L190 HydrophobicContact CD1-CD2 4.39Å; L186-L190 HydrophobicContact CD1-CG 3.93Å; L186-L190 HydrophobicContact CG-CD1 3.93Å; L186-L190 HydrophobicContact CG-CG 4.32Å; L186-L190 WeakPolarHBondContact O-CG 3.48Å; L186-L190 PolarHBondContact O-N 3.2Å; L186-L234 HydrophobicContact CD2-CD1 4.21Å; L186-L234 HydrophobicContact CG-CD1 4.24Å |
| 187 | G | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L183 W184 A185 L190 Y191 | L183-G187 PolarHBondContact O-N 2.92Å; L183-G187 VanDerWaalsContact O-N 3.09Å; W184-G187 WeakPolarHBondContact O-CA 3.39Å; W184-G187 PolarHBondContact O-N 3.42Å; A185-G187 VanDerWaalsContact C-N 3.33Å; A185-G187 PolarHBondContact O-N 3.21Å; G187-L190 PolarHBondContact O-N 2.95Å; G187-Y191 VanDerWaalsContact O-CB 3.31Å; G187-Y191 WeakPolarHBondContact O-CB 3.27Å; G187-Y191 PolarHBondContact O-N 3.02Å |
| 188 | C | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 177.6 | -72.3 | 0 | 0 | 0 | 0 | 111.6 | Y166 W184 A185 L186 Y191 E192 P199 | Y166-C188 HydrophobicContact CD1-CB 3.84Å; W184-C188 PolarHBondContact O-N 2.96Å; A185-C188 PolarHBondContact O-N 3.47Å; L186-C188 VanDerWaalsContact C-N 3.33Å; L186-C188 PolarHBondContact O-N 3.47Å; C188-Y191 PolarHBondContact O-N 2.99Å; C188-E192 WeakPolarHBondContact O-CB 3.47Å; C188-E192 PolarHBondContact O-N 3.44Å; C188-P199 HydrophobicContact CB-CG 4.15Å |
| 189 | I | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.1 | -49.8 | 179.5 | -67 | 163.5 | 0 | 0 | 0 | 110.3 | M126 P128 I131 Y166 A185 L186 Y191 E192 L193 | M126-I189 HydrophobicContact CB-CD1 3.97Å; M126-I189 HydrophobicContact CE-CD1 4.41Å; P128-I189 HydrophobicContact CG-CG1 4.4Å; P128-I189 HydrophobicContact CG-CG2 4.45Å; I131-I189 HydrophobicContact CD1-CD1 3.89Å; I131-I189 HydrophobicContact CD1-CG2 4.01Å; Y166-I189 HydrophobicContact CD1-CG1 3.97Å; Y166-I189 HydrophobicContact CE1-CG1 3.98Å; A185-I189 WeakPolarHBondContact O-CD1 3.47Å; A185-I189 VanDerWaalsContact O-CG1 3.28Å; A185-I189 WeakPolarHBondContact O-CG1 3.35Å; A185-I189 PolarHBondContact O-N 3.41Å; L186-I189 PolarHBondContact O-N 3.41Å; I189-Y191 VanDerWaalsContact C-N 3.34Å; I189-Y191 PolarHBondContact O-N 2.78Å; I189-E192 WeakPolarHBondContact O-CB 3.26Å; I189-E192 PolarHBondContact O-N 3.33Å; I189-E192 VanDerWaalsContact O-N 3.14Å; I189-L193 HydrophobicContact CG2-CD1 4.23Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 VanDerWaalsContact O-CG 3.3Å; I189-L193 WeakPolarHBondContact O-CG 3.34Å; I189-L193 PolarHBondContact O-N 2.8Å |
| 190 | L | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | -178.6 | -65.7 | 178.4 | 0 | 0 | 0 | 112.4 | V102 I105 A106 L186 G187 L193 H194 F230 L231 L234 | V102-L190 HydrophobicContact CG1-CB 4.29Å; V102-L190 HydrophobicContact CG1-CD2 4.04Å; I105-L190 HydrophobicContact CG2-CD2 4.43Å; A106-L190 HydrophobicContact CB-CD1 3.62Å; A106-L190 HydrophobicContact CB-CD2 3.8Å; A106-L190 HydrophobicContact CB-CG 4.38Å; L186-L190 HydrophobicContact CD1-CD1 3.9Å; L186-L190 HydrophobicContact CD1-CD2 4.39Å; L186-L190 HydrophobicContact CD1-CG 3.93Å; L186-L190 HydrophobicContact CG-CD1 3.93Å; L186-L190 HydrophobicContact CG-CG 4.32Å; L186-L190 WeakPolarHBondContact O-CG 3.48Å; L186-L190 PolarHBondContact O-N 3.2Å; G187-L190 PolarHBondContact O-N 2.95Å; L190-L193 HydrophobicContact CD2-CD1 4.2Å; L190-L193 PolarHBondContact O-N 2.74Å; L190-H194 PolarHBondContact O-N 2.78Å; L190-H194 VanDerWaalsContact O-N 3.15Å; L190-F230 HydrophobicContact CD1-CD1 4.37Å; L190-F230 HydrophobicContact CD1-CE1 3.78Å; L190-L231 HydrophobicContact CB-CD2 3.63Å; L190-L231 HydrophobicContact CD1-CD2 4.38Å; L190-L234 HydrophobicContact CD1-CD1 4.4Å |
| 191 | Y | 96.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 16 Ų | 16 | 7% | 0.067 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 171.5 | 179.4 | -79.9 | 0 | 0 | 0 | 111.1 | G187 C188 I189 H194 T195 V197 P199 I217 K218 W219 L231 | G187-Y191 VanDerWaalsContact O-CB 3.31Å; G187-Y191 WeakPolarHBondContact O-CB 3.27Å; G187-Y191 PolarHBondContact O-N 3.02Å; C188-Y191 PolarHBondContact O-N 2.99Å; I189-Y191 VanDerWaalsContact C-N 3.34Å; I189-Y191 PolarHBondContact O-N 2.78Å; Y191-H194 PolarHBondContact O-N 3.22Å; Y191-T195 HydrophobicContact CD1-CG2 4.25Å; Y191-T195 WeakPolarHBondContact CD1-OG1 3.42Å; Y191-T195 HydrophobicContact CD2-CG2 4.42Å; Y191-T195 HydrophobicContact CE1-CG2 3.86Å; Y191-T195 WeakPolarHBondContact CE1-OG1 3.45Å; Y191-T195 HydrophobicContact CE2-CG2 4.06Å; Y191-T195 HydrophobicContact CG-CG2 4.5Å; Y191-T195 WeakPolarHBondContact O-CB 3.48Å; Y191-T195 WeakPolarHBondContact O-CG2 3.36Å; Y191-T195 PolarHBondContact O-N 3.03Å; Y191-T195 PolarHBondContact O-OG1 3.46Å; Y191-V197 WeakPolarHBondContact CD1-O 3.49Å; Y191-V197 WeakPolarHBondContact CE1-O 3.13Å; Y191-P199 HydrophobicContact CD1-CB 3.85Å; Y191-P199 HydrophobicContact CD1-CG 4.29Å; Y191-P199 HydrophobicContact CE1-CB 4.04Å; Y191-P199 HydrophobicContact CG-CB 4.19Å; Y191-I217 HydrophobicContact CD2-CG2 4.29Å; Y191-I217 HydrophobicContact CE2-CG2 3.79Å; Y191-K218 WeakPolarHBondContact CE2-O 3.46Å; Y191-K218 PolarHBondContact OH-O 2.79Å; Y191-W219 HydrophobicContact CD2-CE3 4.4Å; Y191-W219 AromaticContact CD2-CZ3 3.98Å; Y191-W219 HydrophobicContact CD2-CZ3 3.98Å; Y191-W219 HydrophobicContact CE2-CE3 4.23Å; Y191-W219 HydrophobicContact CE2-CZ3 4.24Å; Y191-L231 HydrophobicContact CD2-CD1 4.42Å |
| 192 | E | 95.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 16.8 Ų | 16.8 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 178.8 | -175.4 | 177.9 | -164.9 | 0 | 0 | 111.8 | L91 Y166 C188 I189 H194 T195 G196 V197 | L91-E192 HydrophobicContact CD2-CG 3.59Å; Y166-E192 WeakPolarHBondContact CE1-OE2 3.36Å; Y166-E192 PolarHBondContact OH-OE2 3.26Å; C188-E192 WeakPolarHBondContact O-CB 3.47Å; C188-E192 PolarHBondContact O-N 3.44Å; I189-E192 WeakPolarHBondContact O-CB 3.26Å; I189-E192 PolarHBondContact O-N 3.33Å; I189-E192 VanDerWaalsContact O-N 3.14Å; E192-H194 VanDerWaalsContact C-N 3.29Å; E192-H194 PolarHBondContact O-N 3.47Å; E192-T195 PolarHBondContact O-N 3.34Å; E192-G196 WeakPolarHBondContact O-CA 3.37Å; E192-G196 PolarHBondContact O-N 3.39Å; E192-V197 WeakPolarHBondContact CA-O 2.8Å |
| 193 | L | 95 | Very high | 92.1 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 175.5 | -66.4 | 175.7 | 0 | 0 | 0 | 111.9 | L87 L91 H96 L97 V102 I105 I189 L190 | L87-L193 HydrophobicContact CD1-CD2 3.86Å; L87-L193 HydrophobicContact CD2-CD1 3.94Å; L87-L193 HydrophobicContact CD2-CD2 3.98Å; L87-L193 HydrophobicContact CG-CD2 3.85Å; L91-L193 HydrophobicContact CD1-CD2 4.3Å; H96-L193 CarbonylContact C-O 3.59Å; H96-L193 WeakPolarHBondContact CA-O 3.29Å; L97-L193 HydrophobicContact CD1-CB 4.47Å; L97-L193 HydrophobicContact CD1-CD2 4.11Å; L97-L193 PolarHBondContact N-O 2.8Å; V102-L193 HydrophobicContact CG2-CB 4.05Å; I105-L193 HydrophobicContact CD1-CD1 4.11Å; I105-L193 HydrophobicContact CG2-CD1 3.99Å; I189-L193 HydrophobicContact CG2-CD1 4.23Å; I189-L193 HydrophobicContact CG2-CG 4.37Å; I189-L193 VanDerWaalsContact O-CG 3.3Å; I189-L193 WeakPolarHBondContact O-CG 3.34Å; I189-L193 PolarHBondContact O-N 2.8Å; L190-L193 HydrophobicContact CD2-CD1 4.2Å; L190-L193 PolarHBondContact O-N 2.74Å |
| 194 | H | 94.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 10% | 0.097 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -77.4 | -35.9 | -178.6 | -173.8 | 72 | 0 | 0 | 0 | 113.3 | V102 L190 Y191 E192 M223 | V102-H194 HydrophobicContact CG2-CB 4.23Å; L190-H194 PolarHBondContact O-N 2.78Å; L190-H194 VanDerWaalsContact O-N 3.15Å; Y191-H194 PolarHBondContact O-N 3.22Å; E192-H194 VanDerWaalsContact C-N 3.29Å; E192-H194 PolarHBondContact O-N 3.47Å; H194-M223 HydrophobicContact CB-CE 4.47Å; H194-M223 WeakPolarHBondContact CD2-CE 3.44Å |
| 195 | T | 92.9 | Very high | 89.9 | Confident | 36 Ų | 36 | 23 Ų | 23 | 22% | 0.221 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -103.1 | -13.6 | -172.3 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | Y191 E192 V197 P220 | Y191-T195 HydrophobicContact CD1-CG2 4.25Å; Y191-T195 WeakPolarHBondContact CD1-OG1 3.42Å; Y191-T195 HydrophobicContact CD2-CG2 4.42Å; Y191-T195 HydrophobicContact CE1-CG2 3.86Å; Y191-T195 WeakPolarHBondContact CE1-OG1 3.45Å; Y191-T195 HydrophobicContact CE2-CG2 4.06Å; Y191-T195 HydrophobicContact CG-CG2 4.5Å; Y191-T195 WeakPolarHBondContact O-CB 3.48Å; Y191-T195 WeakPolarHBondContact O-CG2 3.36Å; Y191-T195 PolarHBondContact O-N 3.03Å; Y191-T195 PolarHBondContact O-OG1 3.46Å; E192-T195 PolarHBondContact O-N 3.34Å; T195-V197 PolarHBondContact O-N 3.38Å; T195-V197 PolarHBondContact OG1-N 3.1Å; T195-V197 PolarHBondContact OG1-O 3.08Å; T195-P220 HydrophobicContact CG2-CG 3.9Å |
| 196 | G | 90 | Very high | 88.8 | Confident | 15 Ų | 15 | 23.6 Ų | 23.6 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 75.9 | -0.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G95 E192 | G95-G196 WeakPolarHBondContact O-CA 3.38Å; E192-G196 WeakPolarHBondContact O-CA 3.37Å; E192-G196 PolarHBondContact O-N 3.39Å |
| 197 | V | 88.6 | Confident | 87.7 | Confident | 78 Ų | 78 | 27.3 Ų | 27.3 | 47% | 0.473 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -138.5 | 143.1 | 178.9 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | Y191 E192 T195 | Y191-V197 WeakPolarHBondContact CD1-O 3.49Å; Y191-V197 WeakPolarHBondContact CE1-O 3.13Å; E192-V197 WeakPolarHBondContact CA-O 2.8Å; T195-V197 PolarHBondContact O-N 3.38Å; T195-V197 PolarHBondContact OG1-N 3.1Å; T195-V197 PolarHBondContact OG1-O 3.08Å |
| 198 | P | 90.2 | Very high | 86.9 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | trans | -65.2 | 155.6 | 176.4 | 26.9 | -33.7 | 0 | 0 | 0 | 110.9 | F200 Y201 | P198-F200 PolarHBondContact O-N 2.99Å; P198-Y201 HydrophobicContact CG-CD2 4.33Å | ||
| 199 | P | 91.6 | Very high | 86.2 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -62.8 | -29.1 | -175 | 24.3 | -33.7 | 0 | 0 | 0 | 112.9 | C188 Y191 I217 | C188-P199 HydrophobicContact CB-CG 4.15Å; Y191-P199 HydrophobicContact CD1-CB 3.85Å; Y191-P199 HydrophobicContact CD1-CG 4.29Å; Y191-P199 HydrophobicContact CE1-CB 4.04Å; Y191-P199 HydrophobicContact CG-CB 4.19Å; P199-I217 HydrophobicContact CB-CG1 4.36Å; P199-I217 HydrophobicContact CB-CG2 4.27Å |
| 200 | F | 90.4 | Very high | 85.5 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 4% | 0.039 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -129.7 | 129 | 175.6 | -51.2 | -72.2 | 0 | 0 | 0 | 109.7 | L165 W184 P198 L208 L211 I212 D215 I217 | L165-F200 WeakPolarHBondContact CD2-O 3.18Å; W184-F200 HydrophobicContact CH2-CE2 4.07Å; W184-F200 AromaticContact CZ2-CE2 3.8Å; W184-F200 HydrophobicContact CZ2-CE2 3.8Å; P198-F200 PolarHBondContact O-N 2.99Å; F200-L208 HydrophobicContact CB-CD1 3.85Å; F200-L211 HydrophobicContact CB-CB 4.19Å; F200-L211 HydrophobicContact CD1-CB 3.87Å; F200-L211 WeakPolarHBondContact CE1-O 3.28Å; F200-L211 HydrophobicContact CG-CB 4.34Å; F200-I212 HydrophobicContact CB-CG1 4.12Å; F200-I212 HydrophobicContact CD2-CG1 3.86Å; F200-I212 HydrophobicContact CG-CG1 4.07Å; F200-D215 WeakPolarHBondContact CE1-O 3.36Å; F200-I217 HydrophobicContact CE1-CG1 4.02Å; F200-I217 HydrophobicContact CE2-CD1 4.3Å; F200-I217 HydrophobicContact CE2-CG1 4.02Å; F200-I217 HydrophobicContact CZ-CD1 4.05Å; F200-I217 HydrophobicContact CZ-CG1 3.41Å; F200-I217 VanDerWaalsContact CZ-CG1 3.41Å |
| 201 | Y | 81.3 | Confident | 84.9 | Confident | 99 Ų | 99 | 29.7 Ų | 29.7 | 39% | 0.388 | 16% | 0.158 | S | C | . | . | trans | -152.6 | 139.6 | 179.3 | -178.2 | -100 | 0 | 0 | 0 | 111.3 | L165 P198 I369 | L165-Y201 HydrophobicContact CD2-CD2 4.03Å; P198-Y201 HydrophobicContact CG-CD2 4.33Å; Y201-I369 HydrophobicContact CE2-CD1 4.18Å | ||
| 202 | T | 78.8 | Confident | 84.6 | Confident | 25 Ų | 25 | 29 Ų | 29 | 15% | 0.153 | 16% | 0.156 | C | C | . | . | trans | -164.3 | 165.7 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 108.6 | S204 H207 L208 L211 I369 | T202-S204 VanDerWaalsContact C-N 3.31Å; T202-S204 WeakPolarHBondContact CG2-O 3.26Å; T202-S204 PolarHBondContact OG1-N 3.35Å; T202-H207 HydrophobicContact CG2-CB 4.03Å; T202-H207 PolarHBondContact OG1-CD2 2.95Å; T202-L208 VanDerWaalsContact CG2-CA 3.47Å; T202-L208 HydrophobicContact CG2-CB 3.52Å; T202-L208 HydrophobicContact CG2-CD1 4.24Å; T202-L208 HydrophobicContact CG2-CG 4.46Å; T202-L208 VanDerWaalsContact CG2-N 3.27Å; T202-L211 HydrophobicContact CG2-CD1 4.03Å; T202-I369 WeakPolarHBondContact O-CD1 3.45Å; T202-I369 WeakPolarHBondContact O-CG1 3.4Å | ||
| 203 | N | 69.8 | Low | 84.3 | Confident | 99 Ų | 99 | 30 Ų | 30 | 53% | 0.529 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -84 | -5.4 | 176.1 | -61.3 | -32.4 | 0 | 0 | 0 | 113.7 | ||
| 204 | S | 75.3 | Confident | 83.9 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | trans | -117.3 | 123.5 | -179.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | T202 F206 H207 L208 | T202-S204 VanDerWaalsContact C-N 3.31Å; T202-S204 WeakPolarHBondContact CG2-O 3.26Å; T202-S204 PolarHBondContact OG1-N 3.35Å; S204-F206 VanDerWaalsContact C-N 3.27Å; S204-F206 PolarHBondContact O-N 3.4Å; S204-H207 PolarHBondContact O-N 3.41Å; S204-H207 VanDerWaalsContact O-N 3.15Å; S204-L208 PolarHBondContact O-N 3.3Å | ||
| 205 | I | 73.3 | Confident | 83.6 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 177.6 | -176.9 | 57.6 | 0 | 0 | 0 | 112.5 | P164 H207 L208 V209 I369 Y373 | P164-I205 HydrophobicContact CB-CD1 3.47Å; P164-I205 VanDerWaalsContact CB-CD1 3.47Å; P164-I205 HydrophobicContact CG-CD1 3.9Å; I205-H207 VanDerWaalsContact C-N 3.33Å; I205-H207 PolarHBondContact O-N 3.03Å; I205-L208 HydrophobicContact CD1-CD2 4.18Å; I205-L208 WeakPolarHBondContact O-CB 3.23Å; I205-L208 PolarHBondContact O-N 2.94Å; I205-L208 VanDerWaalsContact O-N 3.1Å; I205-V209 WeakPolarHBondContact O-CG2 3.34Å; I205-V209 PolarHBondContact O-N 3.01Å; I205-I369 HydrophobicContact CB-CG2 3.92Å; I205-I369 HydrophobicContact CD1-CG2 4.06Å; I205-Y373 HydrophobicContact CD1-CD2 4.12Å; I205-Y373 HydrophobicContact CD1-CE2 4.45Å; I205-Y373 HydrophobicContact CG1-CD2 3.58Å; I205-Y373 HydrophobicContact CG1-CE2 4.16Å; I205-Y373 HydrophobicContact CG1-CG 4.28Å |
| 206 | F | 75 | Confident | 83.5 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 178.3 | -61.4 | -60.4 | 0 | 0 | 0 | 112.5 | S204 L208 Q210 K302 A303 Q306 F377 | S204-F206 VanDerWaalsContact C-N 3.27Å; S204-F206 PolarHBondContact O-N 3.4Å; F206-L208 VanDerWaalsContact C-N 3.34Å; F206-Q210 WeakPolarHBondContact O-CG 3.48Å; F206-Q210 PolarHBondContact O-N 3.02Å; F206-K302 HydrophobicContact CD1-CB 4.23Å; F206-K302 HydrophobicContact CE1-CB 3.6Å; F206-K302 HydrophobicContact CE1-CD 4.28Å; F206-K302 HydrophobicContact CZ-CB 4.2Å; F206-K302 HydrophobicContact CZ-CD 4.36Å; F206-A303 HydrophobicContact CB-CB 3.77Å; F206-A303 HydrophobicContact CD1-CB 3.93Å; F206-A303 HydrophobicContact CG-CB 4.26Å; F206-Q306 HydrophobicContact CD2-CG 4.01Å; F206-Q306 HydrophobicContact CE2-CG 4.12Å; F206-F377 HydrophobicContact CE1-CE2 4.47Å; F206-F377 HydrophobicContact CE1-CZ 4.46Å |
| 207 | H | 75.1 | Confident | 83.6 | Confident | 79 Ų | 79 | 42.6 Ų | 42.6 | 37% | 0.366 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.7 | -35 | 174.3 | -167.9 | 49.8 | 0 | 0 | 0 | 111 | T202 S204 I205 V209 Q210 L211 | T202-H207 HydrophobicContact CG2-CB 4.03Å; T202-H207 PolarHBondContact OG1-CD2 2.95Å; S204-H207 PolarHBondContact O-N 3.41Å; S204-H207 VanDerWaalsContact O-N 3.15Å; I205-H207 VanDerWaalsContact C-N 3.33Å; I205-H207 PolarHBondContact O-N 3.03Å; H207-V209 PolarHBondContact O-N 3.47Å; H207-Q210 PolarHBondContact ND1-OE1 3.39Å; H207-Q210 WeakPolarHBondContact O-CB 3.29Å; H207-Q210 PolarHBondContact O-N 3.15Å; H207-Q210 VanDerWaalsContact O-N 3.15Å; H207-L211 WeakPolarHBondContact O-CG 3.05Å; H207-L211 PolarHBondContact O-N 2.93Å |
| 208 | L | 79.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 178.5 | -178.1 | 60.6 | 0 | 0 | 0 | 111.1 | P164 L165 F200 T202 S204 I205 F206 Q210 L211 I212 I369 | P164-L208 HydrophobicContact CB-CD2 4.08Å; L165-L208 HydrophobicContact CD2-CD1 4.05Å; L165-L208 HydrophobicContact CD2-CD2 3.82Å; L165-L208 HydrophobicContact CG-CD2 4.27Å; F200-L208 HydrophobicContact CB-CD1 3.85Å; T202-L208 VanDerWaalsContact CG2-CA 3.47Å; T202-L208 HydrophobicContact CG2-CB 3.52Å; T202-L208 HydrophobicContact CG2-CD1 4.24Å; T202-L208 HydrophobicContact CG2-CG 4.46Å; T202-L208 VanDerWaalsContact CG2-N 3.27Å; S204-L208 PolarHBondContact O-N 3.3Å; I205-L208 HydrophobicContact CD1-CD2 4.18Å; I205-L208 WeakPolarHBondContact O-CB 3.23Å; I205-L208 PolarHBondContact O-N 2.94Å; I205-L208 VanDerWaalsContact O-N 3.1Å; F206-L208 VanDerWaalsContact C-N 3.34Å; L208-Q210 VanDerWaalsContact C-N 3.25Å; L208-Q210 PolarHBondContact O-N 3.22Å; L208-L211 WeakPolarHBondContact O-CB 3.42Å; L208-L211 PolarHBondContact O-N 3.11Å; L208-I212 HydrophobicContact CD1-CD1 4.16Å; L208-I212 HydrophobicContact CD1-CG1 4.35Å; L208-I212 HydrophobicContact CG-CD1 3.86Å; L208-I212 HydrophobicContact CG-CG1 4.47Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.44Å; L208-I212 PolarHBondContact O-N 3.34Å; L208-I369 HydrophobicContact CD2-CG2 4.38Å |
| 209 | V | 82 | Confident | 83.9 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.1 | -42.3 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 111 | V172 I205 H207 I212 V213 M300 | V172-V209 HydrophobicContact CB-CG1 4.13Å; V172-V209 HydrophobicContact CB-CG2 4.21Å; V172-V209 HydrophobicContact CG1-CG2 4.47Å; V172-V209 HydrophobicContact CG2-CG1 4.15Å; I205-V209 WeakPolarHBondContact O-CG2 3.34Å; I205-V209 PolarHBondContact O-N 3.01Å; H207-V209 PolarHBondContact O-N 3.47Å; V209-I212 PolarHBondContact O-N 3.12Å; V209-V213 HydrophobicContact CG1-CG2 4.5Å; V209-V213 VanDerWaalsContact O-CG2 3.3Å; V209-V213 WeakPolarHBondContact O-CG2 3.17Å; V209-V213 PolarHBondContact O-N 3.44Å; V209-M300 HydrophobicContact CG1-SD 3.6Å |
| 210 | Q | 81.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -43 | 177.9 | -66.3 | 167.1 | 8.6 | 0 | 0 | 112.6 | F206 H207 L208 I212 V213 K214 A303 M307 | F206-Q210 WeakPolarHBondContact O-CG 3.48Å; F206-Q210 PolarHBondContact O-N 3.02Å; H207-Q210 PolarHBondContact ND1-OE1 3.39Å; H207-Q210 WeakPolarHBondContact O-CB 3.29Å; H207-Q210 PolarHBondContact O-N 3.15Å; H207-Q210 VanDerWaalsContact O-N 3.15Å; L208-Q210 VanDerWaalsContact C-N 3.25Å; L208-Q210 PolarHBondContact O-N 3.22Å; Q210-I212 VanDerWaalsContact C-N 3.33Å; Q210-I212 PolarHBondContact O-N 3.11Å; Q210-V213 PolarHBondContact O-N 3.26Å; Q210-K214 WeakPolarHBondContact O-CB 3.48Å; Q210-K214 PolarHBondContact O-N 3.45Å; Q210-A303 PolarHBondContact NE2-O 3.48Å; Q210-M307 VanDerWaalsContact CD-SD 3.6Å; Q210-M307 PolarHBondContact NE2-SD 3.08Å; Q210-M307 PolarHBondContact OE1-SD 3.42Å |
| 211 | L | 86.7 | Confident | 83.6 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 176.2 | -64.8 | 177 | 0 | 0 | 0 | 110 | F200 T202 H207 L208 V213 D215 K237 | F200-L211 HydrophobicContact CB-CB 4.19Å; F200-L211 HydrophobicContact CD1-CB 3.87Å; F200-L211 WeakPolarHBondContact CE1-O 3.28Å; F200-L211 HydrophobicContact CG-CB 4.34Å; T202-L211 HydrophobicContact CG2-CD1 4.03Å; H207-L211 WeakPolarHBondContact O-CG 3.05Å; H207-L211 PolarHBondContact O-N 2.93Å; L208-L211 WeakPolarHBondContact O-CB 3.42Å; L208-L211 PolarHBondContact O-N 3.11Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.25Å; L211-D215 WeakPolarHBondContact CA-OD2 3.36Å; L211-D215 HydrophobicContact CD2-CB 4.26Å; L211-D215 WeakPolarHBondContact CD2-OD2 3.33Å; L211-D215 PolarHBondContact O-N 3.31Å; L211-K237 PolarHBondContact O-NZ 3.24Å |
| 212 | I | 89.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 179.4 | -68.5 | 168.1 | 0 | 0 | 0 | 110.9 | P169 V172 W184 F200 L208 V209 Q210 K237 | P169-I212 HydrophobicContact CB-CG2 4.33Å; P169-I212 HydrophobicContact CG-CG2 3.94Å; V172-I212 HydrophobicContact CG1-CD1 4.37Å; V172-I212 HydrophobicContact CG2-CG2 3.96Å; W184-I212 HydrophobicContact CZ2-CG2 4.26Å; F200-I212 HydrophobicContact CB-CG1 4.12Å; F200-I212 HydrophobicContact CD2-CG1 3.86Å; F200-I212 HydrophobicContact CG-CG1 4.07Å; L208-I212 HydrophobicContact CD1-CD1 4.16Å; L208-I212 HydrophobicContact CD1-CG1 4.35Å; L208-I212 HydrophobicContact CG-CD1 3.86Å; L208-I212 HydrophobicContact CG-CG1 4.47Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.44Å; L208-I212 PolarHBondContact O-N 3.34Å; V209-I212 PolarHBondContact O-N 3.12Å; Q210-I212 VanDerWaalsContact C-N 3.33Å; Q210-I212 PolarHBondContact O-N 3.11Å; I212-K237 WeakPolarHBondContact O-CD 3.08Å; I212-K237 VanDerWaalsContact O-CE 3.29Å; I212-K237 WeakPolarHBondContact O-CE 3Å; I212-K237 PolarHBondContact O-NZ 3.24Å |
| 213 | V | 87.9 | Confident | 84.6 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -79.1 | -43.6 | -176.5 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | V172 E173 V209 Q210 L211 K237 | V172-V213 HydrophobicContact CG2-CG2 3.85Å; E173-V213 HydrophobicContact CG-CG1 4.5Å; E173-V213 HydrophobicContact CG-CG2 3.7Å; V209-V213 HydrophobicContact CG1-CG2 4.5Å; V209-V213 VanDerWaalsContact O-CG2 3.3Å; V209-V213 WeakPolarHBondContact O-CG2 3.17Å; V209-V213 PolarHBondContact O-N 3.44Å; Q210-V213 PolarHBondContact O-N 3.26Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.25Å; V213-K237 VanDerWaalsContact O-CD 3.27Å; V213-K237 WeakPolarHBondContact O-CD 3.03Å; V213-K237 PolarHBondContact O-NZ 3.46Å |
| 214 | K | 86.9 | Confident | 85.8 | Confident | 142 Ų | 142 | 55.7 Ų | 55.7 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -106.9 | -39.6 | -166.3 | -62.6 | -175.3 | 178.8 | 178.9 | 0 | 114.8 | Q210 K237 | Q210-K214 WeakPolarHBondContact O-CB 3.48Å; Q210-K214 PolarHBondContact O-N 3.45Å; K214-K237 VanDerWaalsContact C-NZ 3.28Å |
| 215 | D | 89.8 | Confident | 86.7 | Confident | 68 Ų | 68 | 60.8 Ų | 60.8 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 138.6 | -168.5 | -72.4 | -65.1 | 0 | 0 | 0 | 113.3 | F200 L211 K237 | F200-D215 WeakPolarHBondContact CE1-O 3.36Å; L211-D215 WeakPolarHBondContact CA-OD2 3.36Å; L211-D215 HydrophobicContact CD2-CB 4.26Å; L211-D215 WeakPolarHBondContact CD2-OD2 3.33Å; L211-D215 PolarHBondContact O-N 3.31Å; D215-K237 VanDerWaalsContact O-CE 3.24Å; D215-K237 WeakPolarHBondContact O-CE 3.49Å; D215-K237 PolarHBondContact O-NZ 3.35Å |
| 216 | P | 90.3 | Very high | 87.8 | Confident | 106 Ų | 106 | 62.4 Ų | 62.4 | 69% | 0.688 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 147.5 | 173.9 | 30.3 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 217 | I | 92.6 | Very high | 88.8 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 139.9 | 175.1 | -63.8 | 160.7 | 0 | 0 | 0 | 109.2 | Y191 P199 F200 W219 L235 | Y191-I217 HydrophobicContact CD2-CG2 4.29Å; Y191-I217 HydrophobicContact CE2-CG2 3.79Å; P199-I217 HydrophobicContact CB-CG1 4.36Å; P199-I217 HydrophobicContact CB-CG2 4.27Å; F200-I217 HydrophobicContact CE1-CG1 4.02Å; F200-I217 HydrophobicContact CE2-CD1 4.3Å; F200-I217 HydrophobicContact CE2-CG1 4.02Å; F200-I217 HydrophobicContact CZ-CD1 4.05Å; F200-I217 HydrophobicContact CZ-CG1 3.41Å; F200-I217 VanDerWaalsContact CZ-CG1 3.41Å; I217-W219 HydrophobicContact CB-CZ2 3.82Å; I217-W219 HydrophobicContact CD1-CH2 4.47Å; I217-W219 HydrophobicContact CD1-CZ2 4.13Å; I217-W219 HydrophobicContact CG2-CD2 4.17Å; I217-W219 HydrophobicContact CG2-CE3 4.43Å; I217-W219 HydrophobicContact CG2-CH2 4.01Å; I217-W219 HydrophobicContact CG2-CZ2 3.69Å; I217-W219 HydrophobicContact CG2-CZ3 4.36Å; I217-W219 VanDerWaalsContact O-CD1 3.29Å; I217-W219 PolarHBondContact O-NE1 2.81Å; I217-L235 HydrophobicContact CD1-CB 3.41Å; I217-L235 VanDerWaalsContact CD1-CB 3.41Å; I217-L235 HydrophobicContact CD1-CD1 3.72Å; I217-L235 HydrophobicContact CD1-CG 4.09Å |
| 218 | K | 91.5 | Very high | 89.8 | Confident | 174 Ų | 174 | 59.2 Ų | 59.2 | 76% | 0.757 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 132.3 | 173.2 | -63.4 | 179.2 | -178.1 | 176.3 | 0 | 108.7 | Y191 | Y191-K218 WeakPolarHBondContact CE2-O 3.46Å; Y191-K218 PolarHBondContact OH-O 2.79Å |
| 219 | W | 93.4 | Very high | 90.7 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | trans | -112.8 | 125.1 | -178.5 | -59.4 | 99.7 | 0 | 0 | 0 | 109.1 | Y191 I217 M223 M228 L231 K232 L235 | Y191-W219 HydrophobicContact CD2-CE3 4.4Å; Y191-W219 AromaticContact CD2-CZ3 3.98Å; Y191-W219 HydrophobicContact CD2-CZ3 3.98Å; Y191-W219 HydrophobicContact CE2-CE3 4.23Å; Y191-W219 HydrophobicContact CE2-CZ3 4.24Å; I217-W219 HydrophobicContact CB-CZ2 3.82Å; I217-W219 HydrophobicContact CD1-CH2 4.47Å; I217-W219 HydrophobicContact CD1-CZ2 4.13Å; I217-W219 HydrophobicContact CG2-CD2 4.17Å; I217-W219 HydrophobicContact CG2-CE3 4.43Å; I217-W219 HydrophobicContact CG2-CH2 4.01Å; I217-W219 HydrophobicContact CG2-CZ2 3.69Å; I217-W219 HydrophobicContact CG2-CZ3 4.36Å; I217-W219 VanDerWaalsContact O-CD1 3.29Å; I217-W219 PolarHBondContact O-NE1 2.81Å; W219-M223 HydrophobicContact CE3-SD 4.13Å; W219-M223 HydrophobicContact CZ3-SD 4.38Å; W219-M228 HydrophobicContact CB-CE 3.97Å; W219-M228 HydrophobicContact CB-SD 4.09Å; W219-M228 HydrophobicContact CD2-CG 4.19Å; W219-M228 HydrophobicContact CE3-CG 3.94Å; W219-M228 HydrophobicContact CG-CG 4.49Å; W219-M228 HydrophobicContact CG-SD 4.29Å; W219-L231 HydrophobicContact CH2-CB 3.86Å; W219-L231 HydrophobicContact CZ3-CB 3.64Å; W219-L231 HydrophobicContact CZ3-CD1 4.29Å; W219-K232 HydrophobicContact CD2-CG 4.41Å; W219-K232 HydrophobicContact CH2-CG 3.79Å; W219-K232 HydrophobicContact CZ2-CB 4.39Å; W219-K232 HydrophobicContact CZ2-CG 3.41Å; W219-K232 VanDerWaalsContact CZ2-CG 3.41Å; W219-K232 HydrophobicContact CZ3-CG 4.42Å; W219-L235 HydrophobicContact CH2-CD1 4.17Å | ||
| 220 | P | 89.4 | Confident | 91.4 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 23% | 0.234 | 34% | 0.335 | C | S | . | . | trans | -76 | 142.4 | 177.5 | 31.3 | -34 | 0 | 0 | 0 | 110.9 | T195 T222 M223 | T195-P220 HydrophobicContact CG2-CG 3.9Å; P220-T222 PolarHBondContact O-N 2.69Å; P220-T222 VanDerWaalsContact O-N 3.14Å; P220-M223 HydrophobicContact CG-CB 4.18Å; P220-M223 HydrophobicContact CG-CE 4.08Å; P220-M223 PolarHBondContact O-N 2.71Å | ||
| 221 | D | 86 | Confident | 92.2 | Very high | 171 Ų | 171 | 61.3 Ų | 61.3 | 91% | 0.914 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13 | 177.7 | -58.8 | -39.8 | 0 | 0 | 0 | 113 | M223 | D221-M223 VanDerWaalsContact C-N 3.32Š|
| 222 | T | 87.2 | Confident | 92.7 | Very high | 117 Ų | 117 | 64.4 Ų | 64.4 | 72% | 0.718 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.3 | 179.9 | 56.4 | 0 | 0 | 0 | 0 | 114 | P220 | P220-T222 PolarHBondContact O-N 2.69Å; P220-T222 VanDerWaalsContact O-N 3.14Å |
| 223 | M | 94.1 | Very high | 93 | Very high | 10 Ų | 10 | 65.1 Ų | 65.1 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -89.4 | 135.4 | -175.5 | -176.4 | -178.4 | -71.5 | 0 | 0 | 110.9 | H194 W219 P220 D221 C227 M228 L231 | H194-M223 HydrophobicContact CB-CE 4.47Å; H194-M223 WeakPolarHBondContact CD2-CE 3.44Å; W219-M223 HydrophobicContact CE3-SD 4.13Å; W219-M223 HydrophobicContact CZ3-SD 4.38Å; P220-M223 HydrophobicContact CG-CB 4.18Å; P220-M223 HydrophobicContact CG-CE 4.08Å; P220-M223 PolarHBondContact O-N 2.71Å; D221-M223 VanDerWaalsContact C-N 3.32Å; M223-C227 HydrophobicContact CG-CB 3.82Å; M223-C227 HydrophobicContact SD-CB 4.49Å; M223-M228 HydrophobicContact CB-CE 4.22Å; M223-M228 HydrophobicContact CG-CB 4.09Å; M223-M228 VanDerWaalsContact SD-CA 3.56Å; M223-M228 HydrophobicContact SD-CB 3.74Å; M223-M228 HydrophobicContact SD-CG 4.12Å; M223-L231 HydrophobicContact CE-CD1 3.6Å; M223-L231 HydrophobicContact SD-CD1 3.84Å |
| 224 | S | 95.4 | Very high | 93.5 | Very high | 41 Ų | 41 | 63.8 Ų | 63.8 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | trans | -65 | 154.1 | 177.7 | 83.6 | 0 | 0 | 0 | 0 | 112.4 | E99 S226 C227 M228 | E99-S224 VanDerWaalsContact CD-OG 3.26Å; E99-S224 VanDerWaalsContact OE1-CB 3.23Å; E99-S224 WeakPolarHBondContact OE1-CB 3.42Å; E99-S224 PolarHBondContact OE1-OG 2.79Å; E99-S224 WeakPolarHBondContact OE2-CB 3.46Å; E99-S224 PolarHBondContact OE2-N 3.3Å; E99-S224 PolarHBondContact OE2-OG 3.41Å; S224-S226 PolarHBondContact O-N 3.37Å; S224-S226 PolarHBondContact OG-N 3.15Å; S224-C227 PolarHBondContact O-N 3.04Å; S224-C227 WeakPolarHBondContact OG-CB 3.42Å; S224-C227 PolarHBondContact OG-N 3.02Å; S224-C227 VanDerWaalsContact OG-N 3.1Å; S224-M228 WeakPolarHBondContact O-CB 3.33Å; S224-M228 PolarHBondContact O-N 3.44Å | ||
| 225 | D | 94.6 | Very high | 94 | Very high | 142 Ų | 142 | 57.4 Ų | 57.4 | 76% | 0.759 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.7 | -36.3 | 176.2 | -69.4 | -36.5 | 0 | 0 | 0 | 112.1 | S229 | D225-S229 WeakPolarHBondContact O-CB 3.37Å; D225-S229 PolarHBondContact O-N 2.8Å |
| 226 | S | 95.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69 | -43 | 178.8 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | S224 F230 H251 S252 F253 | S224-S226 PolarHBondContact O-N 3.37Å; S224-S226 PolarHBondContact OG-N 3.15Å; S226-F230 PolarHBondContact O-N 2.93Å; S226-H251 PolarHBondContact O-CE1 2.89Å; S226-S252 PolarHBondContact OG-OG 3.39Å; S226-F253 PolarHBondContact OG-N 2.71Å |
| 227 | C | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 176.2 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | E99 M223 S224 S229 F230 L231 F253 | E99-C227 VanDerWaalsContact CD-CB 3.47Å; E99-C227 HydrophobicContact CG-CB 4.02Å; E99-C227 WeakPolarHBondContact OE1-CB 3.34Å; M223-C227 HydrophobicContact CG-CB 3.82Å; M223-C227 HydrophobicContact SD-CB 4.49Å; S224-C227 PolarHBondContact O-N 3.04Å; S224-C227 WeakPolarHBondContact OG-CB 3.42Å; S224-C227 PolarHBondContact OG-N 3.02Å; S224-C227 VanDerWaalsContact OG-N 3.1Å; C227-S229 PolarHBondContact O-N 2.81Å; C227-F230 WeakPolarHBondContact O-CB 3.17Å; C227-F230 PolarHBondContact O-N 3.41Å; C227-L231 WeakPolarHBondContact O-CG 3.43Å; C227-L231 PolarHBondContact O-N 3.42Å; C227-F253 HydrophobicContact CB-CD2 3.98Å; C227-F253 HydrophobicContact CB-CE2 3.52Å; C227-F253 HydrophobicContact CB-CZ 4.03Å |
| 228 | M | 96.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 179.4 | -168.3 | -177.5 | -61.5 | 0 | 0 | 112.1 | W219 M223 S224 F230 L231 K232 | W219-M228 HydrophobicContact CB-CE 3.97Å; W219-M228 HydrophobicContact CB-SD 4.09Å; W219-M228 HydrophobicContact CD2-CG 4.19Å; W219-M228 HydrophobicContact CE3-CG 3.94Å; W219-M228 HydrophobicContact CG-CG 4.49Å; W219-M228 HydrophobicContact CG-SD 4.29Å; M223-M228 HydrophobicContact CB-CE 4.22Å; M223-M228 HydrophobicContact CG-CB 4.09Å; M223-M228 VanDerWaalsContact SD-CA 3.56Å; M223-M228 HydrophobicContact SD-CB 3.74Å; M223-M228 HydrophobicContact SD-CG 4.12Å; S224-M228 WeakPolarHBondContact O-CB 3.33Å; S224-M228 PolarHBondContact O-N 3.44Å; M228-F230 VanDerWaalsContact C-N 3.33Å; M228-F230 PolarHBondContact O-N 3.07Å; M228-L231 PolarHBondContact O-N 2.98Å; M228-K232 HydrophobicContact CG-CD 4.04Å; M228-K232 HydrophobicContact CG-CG 4.41Å; M228-K232 VanDerWaalsContact O-CB 3.28Å; M228-K232 WeakPolarHBondContact O-CB 3.3Å; M228-K232 VanDerWaalsContact O-CG 3.26Å; M228-K232 WeakPolarHBondContact O-CG 3.43Å; M228-K232 PolarHBondContact O-N 2.93Å; M228-K232 PolarHBondContact SD-NZ 3.32Å |
| 229 | S | 96.9 | Very high | 94.6 | Very high | 64 Ų | 64 | 49.1 Ų | 49.1 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | D225 C227 K232 G233 H251 | D225-S229 WeakPolarHBondContact O-CB 3.37Å; D225-S229 PolarHBondContact O-N 2.8Å; C227-S229 PolarHBondContact O-N 2.81Å; S229-K232 PolarHBondContact O-N 2.91Å; S229-G233 PolarHBondContact O-N 2.81Å; S229-H251 PolarHBondContact OG-NE2 3.2Å |
| 230 | F | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -50.5 | 178.9 | -172.3 | -117.9 | 0 | 0 | 0 | 111.8 | A106 V110 L190 S226 C227 M228 K232 G233 L234 L243 L248 H251 F253 V254 | A106-F230 HydrophobicContact CB-CE1 4.46Å; V110-F230 HydrophobicContact CG2-CZ 4.14Å; L190-F230 HydrophobicContact CD1-CD1 4.37Å; L190-F230 HydrophobicContact CD1-CE1 3.78Å; S226-F230 PolarHBondContact O-N 2.93Å; C227-F230 WeakPolarHBondContact O-CB 3.17Å; C227-F230 PolarHBondContact O-N 3.41Å; M228-F230 VanDerWaalsContact C-N 3.33Å; M228-F230 PolarHBondContact O-N 3.07Å; F230-K232 PolarHBondContact O-N 2.75Å; F230-G233 PolarHBondContact O-N 3.34Å; F230-L234 HydrophobicContact CD1-CD1 4Å; F230-L234 HydrophobicContact CE1-CD1 3.58Å; F230-L234 HydrophobicContact CE2-CD1 4.49Å; F230-L234 HydrophobicContact CZ-CD1 3.86Å; F230-L234 HydrophobicContact CZ-CG 4.49Å; F230-L234 PolarHBondContact O-N 2.95Å; F230-L243 HydrophobicContact CD2-CD2 3.85Å; F230-L243 HydrophobicContact CE2-CD2 4Å; F230-L248 HydrophobicContact CE2-CD2 4.36Å; F230-L248 HydrophobicContact CE2-CG 4.23Å; F230-L248 HydrophobicContact CZ-CD2 4.42Å; F230-H251 VanDerWaalsContact CA-CE1 3.48Å; F230-H251 WeakPolarHBondContact CA-CE1 3.48Å; F230-H251 VanDerWaalsContact CB-CE1 3.45Å; F230-H251 WeakPolarHBondContact CB-CE1 3.32Å; F230-H251 HydrophobicContact CD2-CB 3.92Å; F230-H251 AromaticContact CD2-CE1 3.99Å; F230-H251 AromaticContact CD2-CG 3.55Å; F230-H251 AromaticContact CD2-ND1 3.41Å; F230-H251 WeakPolarHBondContact CD2-ND1 3.35Å; F230-H251 HydrophobicContact CE2-CB 4.19Å; F230-H251 AromaticContact CG-ND1 3.92Å; F230-H251 PolarHBondContact N-CE1 3.22Å; F230-H251 PolarHBondContact N-NE2 3.23Å; F230-F253 HydrophobicContact CB-CB 3.84Å; F230-F253 HydrophobicContact CB-CD1 4.11Å; F230-F253 HydrophobicContact CB-CG 4.12Å; F230-F253 HydrophobicContact CD1-CB 4.49Å; F230-F253 AromaticContact CD1-CD1 3.47Å; F230-F253 HydrophobicContact CD1-CD1 3.47Å; F230-F253 VanDerWaalsContact CD1-CD1 3.47Å; F230-F253 HydrophobicContact CD1-CE1 4.08Å; F230-F253 HydrophobicContact CD1-CG 4.3Å; F230-F253 HydrophobicContact CD2-CB 4.36Å; F230-F253 AromaticContact CE1-CD1 3.99Å; F230-F253 HydrophobicContact CE1-CD1 3.99Å; F230-F253 HydrophobicContact CG-CB 4Å; F230-F253 AromaticContact CG-CD1 3.85Å; F230-F253 HydrophobicContact CG-CD1 3.85Å; F230-F253 HydrophobicContact CG-CG 4.25Å; F230-V254 HydrophobicContact CE1-CG1 4.11Å; F230-V254 HydrophobicContact CE2-CG1 4.22Å; F230-V254 HydrophobicContact CE2-CG2 3.97Å; F230-V254 HydrophobicContact CZ-CG1 3.81Å; F230-V254 HydrophobicContact CZ-CG2 4.23Å |
| 231 | L | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 179.7 | -67.6 | 179.7 | 0 | 0 | 0 | 112.5 | L190 Y191 W219 M223 C227 M228 G233 L234 L235 | L190-L231 HydrophobicContact CB-CD2 3.63Å; L190-L231 HydrophobicContact CD1-CD2 4.38Å; Y191-L231 HydrophobicContact CD2-CD1 4.42Å; W219-L231 HydrophobicContact CH2-CB 3.86Å; W219-L231 HydrophobicContact CZ3-CB 3.64Å; W219-L231 HydrophobicContact CZ3-CD1 4.29Å; M223-L231 HydrophobicContact CE-CD1 3.6Å; M223-L231 HydrophobicContact SD-CD1 3.84Å; C227-L231 WeakPolarHBondContact O-CG 3.43Å; C227-L231 PolarHBondContact O-N 3.42Å; M228-L231 PolarHBondContact O-N 2.98Å; L231-G233 VanDerWaalsContact C-N 3.29Å; L231-G233 PolarHBondContact O-N 2.93Å; L231-L234 PolarHBondContact O-N 2.78Å; L231-L235 VanDerWaalsContact O-CB 3.24Å; L231-L235 WeakPolarHBondContact O-CB 3.45Å; L231-L235 WeakPolarHBondContact O-CG 3.37Å; L231-L235 PolarHBondContact O-N 3.42Å |
| 232 | K | 96.9 | Very high | 95.2 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 41% | 0.409 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 172.7 | -79.9 | 174.4 | 176.4 | 169 | 0 | 111.5 | W219 M228 S229 F230 T236 | W219-K232 HydrophobicContact CD2-CG 4.41Å; W219-K232 HydrophobicContact CH2-CG 3.79Å; W219-K232 HydrophobicContact CZ2-CB 4.39Å; W219-K232 HydrophobicContact CZ2-CG 3.41Å; W219-K232 VanDerWaalsContact CZ2-CG 3.41Å; W219-K232 HydrophobicContact CZ3-CG 4.42Å; M228-K232 HydrophobicContact CG-CD 4.04Å; M228-K232 HydrophobicContact CG-CG 4.41Å; M228-K232 VanDerWaalsContact O-CB 3.28Å; M228-K232 WeakPolarHBondContact O-CB 3.3Å; M228-K232 VanDerWaalsContact O-CG 3.26Å; M228-K232 WeakPolarHBondContact O-CG 3.43Å; M228-K232 PolarHBondContact O-N 2.93Å; M228-K232 PolarHBondContact SD-NZ 3.32Å; S229-K232 PolarHBondContact O-N 2.91Å; F230-K232 PolarHBondContact O-N 2.75Å; K232-T236 PolarHBondContact O-N 3.11Å; K232-T236 PolarHBondContact O-OG1 3.2Å |
| 233 | G | 97.3 | Very high | 95.6 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S229 F230 L231 T236 R242 L243 | S229-G233 PolarHBondContact O-N 2.81Å; F230-G233 PolarHBondContact O-N 3.34Å; L231-G233 VanDerWaalsContact C-N 3.29Å; L231-G233 PolarHBondContact O-N 2.93Å; G233-T236 PolarHBondContact O-OG1 3.4Å; G233-R242 WeakPolarHBondContact O-CG 3.46Å; G233-L243 VanDerWaalsContact C-CB 3.46Å; G233-L243 PolarHBondContact O-N 3.35Å |
| 234 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -38.9 | 179.9 | -65.7 | 178 | 0 | 0 | 0 | 113.2 | L183 L186 L190 F230 L231 T236 R242 L248 | L183-L234 HydrophobicContact CB-CD2 4.13Å; L186-L234 HydrophobicContact CD2-CD1 4.21Å; L186-L234 HydrophobicContact CG-CD1 4.24Å; L190-L234 HydrophobicContact CD1-CD1 4.4Å; F230-L234 HydrophobicContact CD1-CD1 4Å; F230-L234 HydrophobicContact CE1-CD1 3.58Å; F230-L234 HydrophobicContact CE2-CD1 4.49Å; F230-L234 HydrophobicContact CZ-CD1 3.86Å; F230-L234 HydrophobicContact CZ-CG 4.49Å; F230-L234 PolarHBondContact O-N 2.95Å; L231-L234 PolarHBondContact O-N 2.78Å; L234-T236 VanDerWaalsContact C-N 3.27Å; L234-T236 PolarHBondContact O-N 3.23Å; L234-R242 VanDerWaalsContact O-CD 3.23Å; L234-R242 WeakPolarHBondContact O-CD 3.46Å; L234-R242 VanDerWaalsContact O-CG 3.29Å; L234-R242 WeakPolarHBondContact O-CG 3.32Å; L234-L248 HydrophobicContact CD2-CD1 3.53Å; L234-L248 HydrophobicContact CD2-CG 4.45Å |
| 235 | L | 97.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 24.7 | -177.8 | -61.6 | 175 | 0 | 0 | 0 | 112.9 | W184 I217 W219 L231 K237 | W184-L235 HydrophobicContact CD2-CD2 4.01Å; W184-L235 HydrophobicContact CE3-CD2 4.11Å; W184-L235 HydrophobicContact CH2-CD2 4.47Å; W184-L235 HydrophobicContact CZ2-CD2 4.38Å; W184-L235 VanDerWaalsContact CZ3-C 3.43Å; W184-L235 HydrophobicContact CZ3-CB 4.27Å; W184-L235 HydrophobicContact CZ3-CD2 4.35Å; W184-L235 VanDerWaalsContact CZ3-O 3.28Å; W184-L235 WeakPolarHBondContact CZ3-O 3.44Å; I217-L235 HydrophobicContact CD1-CB 3.41Å; I217-L235 VanDerWaalsContact CD1-CB 3.41Å; I217-L235 HydrophobicContact CD1-CD1 3.72Å; I217-L235 HydrophobicContact CD1-CG 4.09Å; W219-L235 HydrophobicContact CH2-CD1 4.17Å; L231-L235 VanDerWaalsContact O-CB 3.24Å; L231-L235 WeakPolarHBondContact O-CB 3.45Å; L231-L235 WeakPolarHBondContact O-CG 3.37Å; L231-L235 PolarHBondContact O-N 3.42Å; L235-K237 PolarHBondContact O-N 2.91Å |
| 236 | T | 97.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | trans | -72.8 | 124.1 | 168.6 | -69.7 | 0 | 0 | 0 | 0 | 109.4 | K232 G233 L234 D238 K241 R242 | K232-T236 PolarHBondContact O-N 3.11Å; K232-T236 PolarHBondContact O-OG1 3.2Å; G233-T236 PolarHBondContact O-OG1 3.4Å; L234-T236 VanDerWaalsContact C-N 3.27Å; L234-T236 PolarHBondContact O-N 3.23Å; T236-D238 PolarHBondContact O-N 2.95Å; T236-K241 HydrophobicContact CG2-CB 3.9Å; T236-R242 PolarHBondContact O-NE 3.5Å; T236-R242 PolarHBondContact O-NH2 3.32Å | ||
| 237 | K | 94.5 | Very high | 95.5 | Very high | 54 Ų | 54 | 43.5 Ų | 43.5 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -66.6 | -37.7 | -173.4 | -59.4 | -163.8 | -176.9 | -155.2 | 0 | 113.4 | P169 W184 L211 I212 V213 K214 D215 L235 P239 R242 | P169-K237 HydrophobicContact CG-CB 4.07Å; P169-K237 HydrophobicContact CG-CG 4.25Å; W184-K237 HydrophobicContact CH2-CG 4.22Å; W184-K237 HydrophobicContact CZ3-CG 4.27Å; L211-K237 PolarHBondContact O-NZ 3.24Å; I212-K237 WeakPolarHBondContact O-CD 3.08Å; I212-K237 VanDerWaalsContact O-CE 3.29Å; I212-K237 WeakPolarHBondContact O-CE 3Å; I212-K237 PolarHBondContact O-NZ 3.24Å; V213-K237 VanDerWaalsContact O-CD 3.27Å; V213-K237 WeakPolarHBondContact O-CD 3.03Å; V213-K237 PolarHBondContact O-NZ 3.46Å; K214-K237 VanDerWaalsContact C-NZ 3.28Å; D215-K237 VanDerWaalsContact O-CE 3.24Å; D215-K237 WeakPolarHBondContact O-CE 3.49Å; D215-K237 PolarHBondContact O-NZ 3.35Å; L235-K237 PolarHBondContact O-N 2.91Å; K237-P239 WeakPolarHBondContact O-CD 3.45Å; K237-R242 PolarHBondContact O-NH2 2.98Å |
| 238 | D | 92.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -74.4 | 112.3 | 175 | -179.3 | -8.6 | 0 | 0 | 0 | 109.8 | T236 Q240 K241 R242 | T236-D238 PolarHBondContact O-N 2.95Å; D238-Q240 PolarHBondContact O-N 3.38Å; D238-Q240 PolarHBondContact OD1-N 2.98Å; D238-K241 HydrophobicContact CB-CB 4.29Å; D238-K241 HydrophobicContact CB-CD 4.25Å; D238-K241 HydrophobicContact CB-CG 4.39Å; D238-K241 PolarHBondContact O-N 3.49Å; D238-K241 VanDerWaalsContact O-N 3.08Å; D238-K241 WeakPolarHBondContact OD2-CD 3.09Å; D238-K241 VanDerWaalsContact OD2-CE 3.24Å; D238-K241 WeakPolarHBondContact OD2-CE 3.47Å; D238-K241 IonicContact OD2-NZ 2.74Å; D238-K241 PolarHBondContact OD2-NZ 3.42Å; D238-R242 PolarHBondContact O-N 3.43Å; D238-R242 VanDerWaalsContact O-N 3.09Å |
| 239 | P | 92.7 | Very high | 95.3 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 25% | 0.253 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.7 | -175.9 | 26.2 | -34.6 | 0 | 0 | 0 | 113.1 | K237 K241 | K237-P239 WeakPolarHBondContact O-CD 3.45Å; P239-K241 VanDerWaalsContact C-N 3.31Å |
| 240 | Q | 90.1 | Very high | 95.1 | Very high | 122 Ų | 122 | 46.6 Ų | 46.6 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -21.1 | 177.8 | -60.4 | -63.1 | -38.5 | 0 | 0 | 112.9 | D238 | D238-Q240 PolarHBondContact O-N 3.38Å; D238-Q240 PolarHBondContact OD1-N 2.98Å |
| 241 | K | 93.9 | Very high | 95.1 | Very high | 158 Ų | 158 | 47.9 Ų | 47.9 | 69% | 0.687 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -7.5 | 178.1 | -63.8 | 176.6 | -173.6 | 161.2 | 0 | 112.7 | T236 D238 P239 | T236-K241 HydrophobicContact CG2-CB 3.9Å; D238-K241 HydrophobicContact CB-CB 4.29Å; D238-K241 HydrophobicContact CB-CD 4.25Å; D238-K241 HydrophobicContact CB-CG 4.39Å; D238-K241 PolarHBondContact O-N 3.49Å; D238-K241 VanDerWaalsContact O-N 3.08Å; D238-K241 WeakPolarHBondContact OD2-CD 3.09Å; D238-K241 VanDerWaalsContact OD2-CE 3.24Å; D238-K241 WeakPolarHBondContact OD2-CE 3.47Å; D238-K241 IonicContact OD2-NZ 2.74Å; D238-K241 PolarHBondContact OD2-NZ 3.42Å; P239-K241 VanDerWaalsContact C-N 3.31Å |
| 242 | R | 96.5 | Very high | 95 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -64.7 | 137.6 | -180 | -167.3 | 178.1 | -62.2 | 148 | 6.1 | 109.9 | E170 T180 G233 L234 T236 K237 D238 S244 | E170-R242 IonicContact OE1-CZ 3.83Å; E170-R242 IonicContact OE1-NH1 2.78Å; E170-R242 PolarHBondContact OE1-NH1 3.33Å; E170-R242 IonicContact OE1-NH2 2.95Å; E170-R242 PolarHBondContact OE1-NH2 3.42Å; E170-R242 IonicContact OE2-CZ 3.9Å; E170-R242 IonicContact OE2-NH1 3.17Å; E170-R242 IonicContact OE2-NH2 3.87Å; E170-R242 PolarHBondContact OE2-NH2 2.83Å; T180-R242 PolarHBondContact O-NH1 2.78Å; G233-R242 WeakPolarHBondContact O-CG 3.46Å; L234-R242 VanDerWaalsContact O-CD 3.23Å; L234-R242 WeakPolarHBondContact O-CD 3.46Å; L234-R242 VanDerWaalsContact O-CG 3.29Å; L234-R242 WeakPolarHBondContact O-CG 3.32Å; T236-R242 PolarHBondContact O-NE 3.5Å; T236-R242 PolarHBondContact O-NH2 3.32Å; K237-R242 PolarHBondContact O-NH2 2.98Å; D238-R242 PolarHBondContact O-N 3.43Å; D238-R242 VanDerWaalsContact O-N 3.09Å; R242-S244 PolarHBondContact O-N 3.07Å; R242-S244 VanDerWaalsContact O-N 3.15Å |
| 243 | L | 96.4 | Very high | 94.9 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | trans | -55.1 | 121.3 | 176 | -179.1 | 65.1 | 0 | 0 | 0 | 109.1 | L183 F230 G233 D247 L248 H251 | L183-L243 WeakPolarHBondContact CD1-O 3.48Å; F230-L243 HydrophobicContact CD2-CD2 3.85Å; F230-L243 HydrophobicContact CE2-CD2 4Å; G233-L243 VanDerWaalsContact C-CB 3.46Å; G233-L243 PolarHBondContact O-N 3.35Å; L243-D247 HydrophobicContact CD1-CB 4.12Å; L243-L248 HydrophobicContact CD2-CB 4.48Å; L243-L248 HydrophobicContact CD2-CG 4.24Å; L243-L248 HydrophobicContact CG-CB 4.06Å; L243-L248 HydrophobicContact CG-CD1 4.42Å; L243-L248 HydrophobicContact CG-CG 4.22Å; L243-H251 HydrophobicContact CD2-CB 4.46Å | ||
| 244 | S | 95.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | trans | -139.7 | -177.7 | -173.1 | -165.5 | 0 | 0 | 0 | 0 | 111 | H179 R242 D247 L248 | H179-S244 PolarHBondContact NE2-OG 2.87Å; R242-S244 PolarHBondContact O-N 3.07Å; R242-S244 VanDerWaalsContact O-N 3.15Å; S244-D247 PolarHBondContact O-N 3.28Å; S244-D247 VanDerWaalsContact O-N 3.12Å; S244-L248 WeakPolarHBondContact O-CB 3.41Å; S244-L248 PolarHBondContact O-N 2.83Å | ||
| 245 | W | 94.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 146.3 | 177.6 | -47.9 | 121.6 | 0 | 0 | 0 | 112.1 | V110 L113 Y114 H117 H179 L183 L248 L249 T271 | V110-W245 HydrophobicContact CG1-CH2 3.94Å; V110-W245 HydrophobicContact CG1-CZ3 4.06Å; L113-W245 HydrophobicContact CB-CZ2 4.24Å; Y114-W245 HydrophobicContact CD2-CD2 4.08Å; Y114-W245 AromaticContact CD2-CE3 3.78Å; Y114-W245 HydrophobicContact CD2-CE3 3.78Å; Y114-W245 HydrophobicContact CD2-CH2 4.04Å; Y114-W245 HydrophobicContact CD2-CZ2 4.32Å; Y114-W245 AromaticContact CD2-CZ3 3.76Å; Y114-W245 HydrophobicContact CD2-CZ3 3.76Å; Y114-W245 HydrophobicContact CE2-CE3 4.44Å; Y114-W245 HydrophobicContact CG-CH2 4.39Å; Y114-W245 HydrophobicContact CG-CZ3 4.47Å; H117-W245 AromaticContact CG-NE1 3.76Å; H117-W245 AromaticContact ND1-CE2 3.83Å; H117-W245 AromaticContact ND1-CZ2 3.96Å; H117-W245 AromaticContact ND1-NE1 3.11Å; H117-W245 PolarHBondContact ND1-NE1 2.91Å; H117-W245 VanDerWaalsContact ND1-NE1 3.11Å; H179-W245 AromaticContact CD2-CD1 3.68Å; H179-W245 AromaticContact CD2-NE1 3.84Å; H179-W245 AromaticContact NE2-CD1 3.63Å; L183-W245 HydrophobicContact CD2-CZ2 4.09Å; W245-L248 HydrophobicContact CE3-CB 3.92Å; W245-L248 HydrophobicContact CE3-CD2 4.28Å; W245-L248 HydrophobicContact CH2-CD2 3.86Å; W245-L248 HydrophobicContact CZ3-CB 4.02Å; W245-L248 HydrophobicContact CZ3-CD2 3.5Å; W245-L248 VanDerWaalsContact CZ3-CD2 3.5Å; W245-L248 HydrophobicContact CZ3-CG 4.21Å; W245-L249 HydrophobicContact CE3-CD2 4.36Å; W245-L249 HydrophobicContact CE3-CG 3.93Å; W245-L249 HydrophobicContact CZ3-CD2 3.69Å; W245-L249 HydrophobicContact CZ3-CG 3.76Å; W245-T271 WeakPolarHBondContact CB-O 3.34Å; W245-T271 HydrophobicContact CD2-CG2 4.23Å; W245-T271 HydrophobicContact CG-CG2 4.04Å |
| 246 | P | 92.4 | Very high | 94 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 25% | 0.253 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.1 | -6.5 | -3.3 | 34.6 | -35.5 | 0 | 0 | 0 | 113.8 | L248 L249 H250 | P246-L248 VanDerWaalsContact C-N 3.28Å; P246-L248 PolarHBondContact O-N 3.03Å; P246-L249 WeakPolarHBondContact O-CB 3.44Å; P246-L249 PolarHBondContact O-N 2.78Å; P246-L249 VanDerWaalsContact O-N 3.14Å; P246-H250 PolarHBondContact O-ND1 2.92Å |
| 247 | D | 94.2 | Very high | 93.6 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 58% | 0.583 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -60.5 | -34.3 | -171.7 | -61.4 | -31.7 | 0 | 0 | 0 | 113.4 | L243 S244 L249 H250 H251 | L243-D247 HydrophobicContact CD1-CB 4.12Å; S244-D247 PolarHBondContact O-N 3.28Å; S244-D247 VanDerWaalsContact O-N 3.12Å; D247-L249 VanDerWaalsContact C-N 3.25Å; D247-L249 PolarHBondContact O-N 3.37Å; D247-H250 PolarHBondContact O-N 3.42Å; D247-H251 PolarHBondContact O-N 3.09Å |
| 248 | L | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -56 | -38.5 | 177.5 | -168.3 | 155.4 | 0 | 0 | 0 | 112.6 | V110 L183 F230 L234 L243 S244 W245 P246 H250 H251 V254 | V110-L248 HydrophobicContact CB-CD2 4.24Å; V110-L248 HydrophobicContact CG1-CD2 3.43Å; V110-L248 VanDerWaalsContact CG1-CD2 3.43Å; V110-L248 HydrophobicContact CG2-CD2 3.73Å; L183-L248 HydrophobicContact CD1-CD1 3.86Å; L183-L248 HydrophobicContact CD2-CD1 3.83Å; L183-L248 HydrophobicContact CG-CD1 4.33Å; F230-L248 HydrophobicContact CE2-CD2 4.36Å; F230-L248 HydrophobicContact CE2-CG 4.23Å; F230-L248 HydrophobicContact CZ-CD2 4.42Å; L234-L248 HydrophobicContact CD2-CD1 3.53Å; L234-L248 HydrophobicContact CD2-CG 4.45Å; L243-L248 HydrophobicContact CD2-CB 4.48Å; L243-L248 HydrophobicContact CD2-CG 4.24Å; L243-L248 HydrophobicContact CG-CB 4.06Å; L243-L248 HydrophobicContact CG-CD1 4.42Å; L243-L248 HydrophobicContact CG-CG 4.22Å; S244-L248 WeakPolarHBondContact O-CB 3.41Å; S244-L248 PolarHBondContact O-N 2.83Å; W245-L248 HydrophobicContact CE3-CB 3.92Å; W245-L248 HydrophobicContact CE3-CD2 4.28Å; W245-L248 HydrophobicContact CH2-CD2 3.86Å; W245-L248 HydrophobicContact CZ3-CB 4.02Å; W245-L248 HydrophobicContact CZ3-CD2 3.5Å; W245-L248 VanDerWaalsContact CZ3-CD2 3.5Å; W245-L248 HydrophobicContact CZ3-CG 4.21Å; P246-L248 VanDerWaalsContact C-N 3.28Å; P246-L248 PolarHBondContact O-N 3.03Å; L248-H250 PolarHBondContact O-N 3.15Å; L248-H251 PolarHBondContact O-N 3.5Å; L248-V254 WeakPolarHBondContact O-CG2 3.45Å |
| 249 | L | 93.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.12 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -64.5 | -28.2 | 177.8 | -72.6 | 180 | 0 | 0 | 0 | 112.7 | V110 Y114 W245 P246 D247 A255 V258 V260 | V110-L249 HydrophobicContact CG1-CD2 4.13Å; Y114-L249 HydrophobicContact CD2-CD1 3.7Å; Y114-L249 HydrophobicContact CD2-CD2 3.96Å; Y114-L249 HydrophobicContact CD2-CG 4.03Å; Y114-L249 HydrophobicContact CE2-CD1 3.39Å; Y114-L249 HydrophobicContact CE2-CG 4.2Å; Y114-L249 HydrophobicContact CG-CD2 4.37Å; W245-L249 HydrophobicContact CE3-CD2 4.36Å; W245-L249 HydrophobicContact CE3-CG 3.93Å; W245-L249 HydrophobicContact CZ3-CD2 3.69Å; W245-L249 HydrophobicContact CZ3-CG 3.76Å; P246-L249 WeakPolarHBondContact O-CB 3.44Å; P246-L249 PolarHBondContact O-N 2.78Å; P246-L249 VanDerWaalsContact O-N 3.14Å; D247-L249 VanDerWaalsContact C-N 3.25Å; D247-L249 PolarHBondContact O-N 3.37Å; L249-A255 WeakPolarHBondContact O-CA 3.14Å; L249-V258 HydrophobicContact CD2-CB 4.38Å; L249-V258 HydrophobicContact CD2-CG1 3.68Å; L249-V260 HydrophobicContact CD1-CG2 4.29Å; L249-V260 HydrophobicContact CD2-CG2 4.25Å |
| 250 | H | 93.3 | Very high | 93.4 | Very high | 134 Ų | 134 | 56.2 Ų | 56.2 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -97.8 | 0.5 | -173.4 | -56.8 | 92.9 | 0 | 0 | 0 | 112.4 | P246 D247 L248 S252 | P246-H250 PolarHBondContact O-ND1 2.92Å; D247-H250 PolarHBondContact O-N 3.42Å; L248-H250 PolarHBondContact O-N 3.15Å; H250-S252 PolarHBondContact O-N 3.19Å |
| 251 | H | 96.9 | Very high | 93.1 | Very high | 27 Ų | 27 | 53.6 Ų | 53.6 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | trans | -66.9 | 133.4 | 179.7 | -169.4 | -79.7 | 0 | 0 | 0 | 110.7 | S226 S229 F230 L243 D247 L248 F253 V254 A255 | S226-H251 PolarHBondContact O-CE1 2.89Å; S229-H251 PolarHBondContact OG-NE2 3.2Å; F230-H251 VanDerWaalsContact CA-CE1 3.48Å; F230-H251 WeakPolarHBondContact CA-CE1 3.48Å; F230-H251 VanDerWaalsContact CB-CE1 3.45Å; F230-H251 WeakPolarHBondContact CB-CE1 3.32Å; F230-H251 HydrophobicContact CD2-CB 3.92Å; F230-H251 AromaticContact CD2-CE1 3.99Å; F230-H251 AromaticContact CD2-CG 3.55Å; F230-H251 AromaticContact CD2-ND1 3.41Å; F230-H251 WeakPolarHBondContact CD2-ND1 3.35Å; F230-H251 HydrophobicContact CE2-CB 4.19Å; F230-H251 AromaticContact CG-ND1 3.92Å; F230-H251 PolarHBondContact N-CE1 3.22Å; F230-H251 PolarHBondContact N-NE2 3.23Å; L243-H251 HydrophobicContact CD2-CB 4.46Å; D247-H251 PolarHBondContact O-N 3.09Å; L248-H251 PolarHBondContact O-N 3.5Å; H251-F253 PolarHBondContact ND1-N 3.43Å; H251-F253 PolarHBondContact O-N 3.06Å; H251-V254 HydrophobicContact CB-CG2 4.49Å; H251-V254 PolarHBondContact O-N 3.3Å; H251-A255 WeakPolarHBondContact O-CB 3.24Å; H251-A255 PolarHBondContact O-N 3.37Å | ||
| 252 | S | 95.3 | Very high | 91.6 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -31.5 | -173.1 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | S226 H250 V254 | S226-S252 PolarHBondContact OG-OG 3.39Å; H250-S252 PolarHBondContact O-N 3.19Å; S252-V254 VanDerWaalsContact C-N 3.34Å; S252-V254 PolarHBondContact O-N 3.25Å |
| 253 | F | 96.6 | Very high | 90 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -35.1 | 178.4 | -167.5 | -113.9 | 0 | 0 | 0 | 113.2 | E99 R103 A106 S226 C227 F230 H251 | E99-F253 HydrophobicContact CG-CE2 4.05Å; E99-F253 HydrophobicContact CG-CZ 4.29Å; R103-F253 HydrophobicContact CB-CE1 4.09Å; R103-F253 HydrophobicContact CB-CE2 4.04Å; R103-F253 HydrophobicContact CB-CZ 3.65Å; R103-F253 VanDerWaalsContact CD-O 3.31Å; R103-F253 WeakPolarHBondContact CD-O 3.49Å; R103-F253 HydrophobicContact CG-CE1 4.36Å; R103-F253 HydrophobicContact CG-CE2 4.35Å; R103-F253 HydrophobicContact CG-CZ 4.21Å; R103-F253 WeakPolarHBondContact CG-O 3.47Å; R103-F253 PolarHBondContact NE-O 3.33Å; A106-F253 HydrophobicContact CB-CE1 4.08Å; S226-F253 PolarHBondContact OG-N 2.71Å; C227-F253 HydrophobicContact CB-CD2 3.98Å; C227-F253 HydrophobicContact CB-CE2 3.52Å; C227-F253 HydrophobicContact CB-CZ 4.03Å; F230-F253 HydrophobicContact CB-CB 3.84Å; F230-F253 HydrophobicContact CB-CD1 4.11Å; F230-F253 HydrophobicContact CB-CG 4.12Å; F230-F253 HydrophobicContact CD1-CB 4.49Å; F230-F253 AromaticContact CD1-CD1 3.47Å; F230-F253 HydrophobicContact CD1-CD1 3.47Å; F230-F253 VanDerWaalsContact CD1-CD1 3.47Å; F230-F253 HydrophobicContact CD1-CE1 4.08Å; F230-F253 HydrophobicContact CD1-CG 4.3Å; F230-F253 HydrophobicContact CD2-CB 4.36Å; F230-F253 AromaticContact CE1-CD1 3.99Å; F230-F253 HydrophobicContact CE1-CD1 3.99Å; F230-F253 HydrophobicContact CG-CB 4Å; F230-F253 AromaticContact CG-CD1 3.85Å; F230-F253 HydrophobicContact CG-CD1 3.85Å; F230-F253 HydrophobicContact CG-CG 4.25Å; H251-F253 PolarHBondContact ND1-N 3.43Å; H251-F253 PolarHBondContact O-N 3.06Å |
| 254 | V | 96.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -13.5 | -172.8 | -62.1 | 0 | 0 | 0 | 0 | 114.8 | A106 F230 L248 H251 S252 D256 G257 V258 | A106-V254 HydrophobicContact CB-CG1 4.1Å; F230-V254 HydrophobicContact CE1-CG1 4.11Å; F230-V254 HydrophobicContact CE2-CG1 4.22Å; F230-V254 HydrophobicContact CE2-CG2 3.97Å; F230-V254 HydrophobicContact CZ-CG1 3.81Å; F230-V254 HydrophobicContact CZ-CG2 4.23Å; L248-V254 WeakPolarHBondContact O-CG2 3.45Å; H251-V254 HydrophobicContact CB-CG2 4.49Å; H251-V254 PolarHBondContact O-N 3.3Å; S252-V254 VanDerWaalsContact C-N 3.34Å; S252-V254 PolarHBondContact O-N 3.25Å; V254-D256 VanDerWaalsContact C-N 3.25Å; V254-D256 PolarHBondContact O-N 2.92Å; V254-G257 PolarHBondContact O-N 3.25Å; V254-V258 HydrophobicContact CB-CG2 3.93Å; V254-V258 HydrophobicContact CG2-CG2 4.2Å; V254-V258 WeakPolarHBondContact O-CG2 3.42Å |
| 255 | A | 89.7 | Confident | 86 | Confident | 44 Ų | 44 | 66 Ų | 66 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -39.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L249 H251 | L249-A255 WeakPolarHBondContact O-CA 3.14Å; H251-A255 WeakPolarHBondContact O-CB 3.24Å; H251-A255 PolarHBondContact O-N 3.37Å |
| 256 | D | 87.8 | Confident | 84.7 | Confident | 146 Ų | 146 | 68.1 Ų | 68.1 | 78% | 0.781 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.9 | -175.3 | -53.1 | -43.7 | 0 | 0 | 0 | 114.7 | V254 | V254-D256 VanDerWaalsContact C-N 3.25Å; V254-D256 PolarHBondContact O-N 2.92Å |
| 257 | G | 87.3 | Confident | 83.1 | Confident | 41 Ų | 41 | 75.2 Ų | 75.2 | 42% | 0.423 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -5.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | C107 V254 | C107-G257 WeakPolarHBondContact CB-O 3.47Å; V254-G257 PolarHBondContact O-N 3.25Å |
| 258 | V | 93.4 | Very high | 82.1 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 16% | 0.164 | 42% | 0.417 | C | S | . | . | trans | -86.6 | 122.5 | -175.7 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | C107 V110 L249 V254 V260 | C107-V258 HydrophobicContact CB-CG2 4.49Å; V110-V258 HydrophobicContact CB-CG2 4.13Å; V110-V258 HydrophobicContact CG1-CG1 3.97Å; V110-V258 HydrophobicContact CG1-CG2 3.69Å; L249-V258 HydrophobicContact CD2-CB 4.38Å; L249-V258 HydrophobicContact CD2-CG1 3.68Å; V254-V258 HydrophobicContact CB-CG2 3.93Å; V254-V258 HydrophobicContact CG2-CG2 4.2Å; V254-V258 WeakPolarHBondContact O-CG2 3.42Å; V258-V260 HydrophobicContact CG1-CG2 4.23Å | ||
| 259 | L | 92.1 | Very high | 81.5 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 44% | 0.44 | 43% | 0.427 | S | S | . | . | trans | -79.2 | 125.1 | 170.1 | 178.4 | 69.9 | 0 | 0 | 0 | 110.1 | P61 S111 L261 | P61-L259 HydrophobicContact CG-CD2 3.47Å; P61-L259 VanDerWaalsContact CG-CD2 3.47Å; S111-L259 WeakPolarHBondContact CB-O 3.45Å; S111-L259 PolarHBondContact OG-O 3.5Å; L259-L261 HydrophobicContact CD1-CD2 4.39Å; L259-L261 HydrophobicContact CD2-CD2 4.1Å; L259-L261 HydrophobicContact CG-CD2 4.16Å | ||
| 260 | V | 89.6 | Confident | 81.2 | Confident | 65 Ų | 65 | 74.5 Ų | 74.5 | 39% | 0.394 | 43% | 0.428 | S | S | . | . | trans | -115.4 | 115 | 174.4 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | Y114 L249 V258 | Y114-V260 HydrophobicContact CD1-CG1 4.08Å; Y114-V260 HydrophobicContact CE1-CG1 3.52Å; L249-V260 HydrophobicContact CD1-CG2 4.29Å; L249-V260 HydrophobicContact CD2-CG2 4.25Å; V258-V260 HydrophobicContact CG1-CG2 4.23Å | ||
| 261 | L | 84.4 | Confident | 81 | Confident | 66 Ų | 66 | 68.3 Ų | 68.3 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | trans | -83.8 | 131.4 | 175.2 | -59.1 | -177 | 0 | 0 | 0 | 109.9 | Y115 L259 | Y115-L261 HydrophobicContact CD2-CD1 4.36Å; Y115-L261 HydrophobicContact CE2-CD1 4.43Å; L259-L261 HydrophobicContact CD1-CD2 4.39Å; L259-L261 HydrophobicContact CD2-CD2 4.1Å; L259-L261 HydrophobicContact CG-CD2 4.16Å | ||
| 262 | S | 62.7 | Low | 80.5 | Confident | 112 Ų | 112 | 71 Ų | 71 | 78% | 0.783 | 42% | 0.418 | S | S | * | . | trans | -92.4 | 97.4 | 179.4 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 263 | D | 63.2 | Low | 79.9 | Confident | 78 Ų | 78 | 72 Ų | 72 | 42% | 0.417 | 42% | 0.42 | S | S | . | . | trans | -94.9 | 116 | 171.4 | -78.7 | -40.7 | 0 | 0 | 0 | 110.4 | H119 N265 L266 | H119-D263 IonicContact CE1-OD2 2.69Å; H119-D263 PolarHBondContact CE1-OD2 3.33Å; H119-D263 IonicContact NE2-OD2 2.75Å; D263-N265 PolarHBondContact O-N 3.18Å; D263-L266 HydrophobicContact CB-CD1 3.9Å; D263-L266 HydrophobicContact CB-CD2 4.45Å; D263-L266 HydrophobicContact CB-CG 3.91Å | ||
| 264 | T | 51.5 | Low | 79.2 | Confident | 139 Ų | 139 | 75.1 Ų | 75.1 | 85% | 0.853 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -2.6 | -172.2 | 24.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 265 | N | 55.9 | Low | 78.5 | Confident | 150 Ų | 150 | 77.7 Ų | 77.7 | 80% | 0.802 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 23.5 | -172.6 | -74.6 | -26 | 0 | 0 | 0 | 114.8 | D263 | D263-N265 PolarHBondContact O-N 3.18Š|
| 266 | L | 66.8 | Low | 78.2 | Confident | 62 Ų | 62 | 80.7 Ų | 80.7 | 33% | 0.325 | 48% | 0.476 | S | S | . | . | trans | -84.9 | 118.4 | -178.1 | -64.4 | 175.9 | 0 | 0 | 0 | 112.7 | D263 | D263-L266 HydrophobicContact CB-CD1 3.9Å; D263-L266 HydrophobicContact CB-CD2 4.45Å; D263-L266 HydrophobicContact CB-CG 3.91Å | ||
| 267 | F | 59.6 | Low | 77.8 | Confident | 187 Ų | 187 | 79.4 Ų | 79.4 | 82% | 0.82 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -87.1 | 115.6 | 174.4 | -109.4 | -94.3 | 0 | 0 | 0 | 111.2 | ||
| 268 | S | 73.3 | Confident | 77.5 | Confident | 57 Ų | 57 | 79.7 Ų | 79.7 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | S | Bend | trans | 53.1 | 62 | 173.4 | -163.6 | 0 | 0 | 0 | 0 | 114.8 | R120 | R120-S268 WeakPolarHBondContact CD-O 3.39Å; R120-S268 PolarHBondContact NH1-O 3.35Å |
| 269 | P | 83.3 | Confident | 77 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 21% | 0.208 | 47% | 0.47 | C | S | . | . | trans | -64.5 | 147.7 | 178.8 | 28.8 | -36.7 | 0 | 0 | 0 | 112.1 | S118 T271 V272 | S118-P269 WeakPolarHBondContact O-CB 3.37Å; P269-T271 PolarHBondContact O-N 3.45Å; P269-V272 HydrophobicContact CG-CB 4.26Å; P269-V272 HydrophobicContact CG-CG2 3.59Å | ||
| 270 | L | 86.9 | Confident | 76.6 | Confident | 29 Ų | 29 | 79.9 Ų | 79.9 | 15% | 0.152 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -6.4 | 175.9 | -59.4 | 174.9 | 0 | 0 | 0 | 113.1 | H117 R120 L122 H179 | H117-L270 HydrophobicContact CB-CB 4.35Å; H117-L270 WeakPolarHBondContact O-CB 3.5Å; H117-L270 PolarHBondContact O-N 3.16Å; H117-L270 VanDerWaalsContact O-N 3.15Å; R120-L270 HydrophobicContact CB-CD1 4.4Å; R120-L270 HydrophobicContact CB-CG 4.43Å; R120-L270 HydrophobicContact CG-CG 4.22Å; L122-L270 HydrophobicContact CD1-CD1 3.89Å; H179-L270 HydrophobicContact CB-CD1 4.03Å |
| 271 | T | 89 | Confident | 76.3 | Confident | 4 Ų | 4 | 85.2 Ų | 85.2 | 3% | 0.025 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.9 | -177.1 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | Y114 H117 W245 P269 | Y114-T271 HydrophobicContact CD2-CG2 3.56Å; Y114-T271 HydrophobicContact CE2-CG2 3.61Å; Y114-T271 HydrophobicContact CG-CG2 4.08Å; Y114-T271 WeakPolarHBondContact O-CG2 3.3Å; H117-T271 HydrophobicContact CB-CG2 3.8Å; W245-T271 WeakPolarHBondContact CB-O 3.34Å; W245-T271 HydrophobicContact CD2-CG2 4.23Å; W245-T271 HydrophobicContact CG-CG2 4.04Å; P269-T271 PolarHBondContact O-N 3.45Å |
| 272 | V | 86.3 | Confident | 76.3 | Confident | 84 Ų | 84 | 84 Ų | 84 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -104.2 | 147.2 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | P269 P274 | P269-V272 HydrophobicContact CG-CB 4.26Å; P269-V272 HydrophobicContact CG-CG2 3.59Å; V272-P274 WeakPolarHBondContact O-CD 3.3Å; V272-P274 VanDerWaalsContact O-N 3.12Å |
| 273 | T | 82.9 | Confident | 77.4 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 117.9 | 175.7 | -47.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 274 | P | 80.8 | Confident | 78.3 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 143.8 | -175.7 | 25.9 | -33 | 0 | 0 | 0 | 111 | V272 V278 V279 | V272-P274 WeakPolarHBondContact O-CD 3.3Å; V272-P274 VanDerWaalsContact O-N 3.12Å; P274-V278 HydrophobicContact CB-CB 4.21Å; P274-V278 HydrophobicContact CB-CG1 4Å; P274-V279 HydrophobicContact CB-CG2 3.87Å; P274-V279 HydrophobicContact CG-CG2 3.65Å |
| 275 | S | 82.3 | Confident | 79.8 | Confident | 54 Ų | 54 | 80.8 Ų | 80.8 | 38% | 0.378 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 156.8 | 173.6 | 72.7 | 0 | 0 | 0 | 0 | 111.1 | D277 V278 V279 | S275-D277 PolarHBondContact O-N 2.72Å; S275-D277 VanDerWaalsContact O-N 3.12Å; S275-V278 PolarHBondContact O-N 3.32Å; S275-V278 WeakPolarHBondContact OG-CG2 3.43Å; S275-V278 PolarHBondContact OG-N 2.75Å; S275-V279 PolarHBondContact O-N 2.97Å |
| 276 | P | 82.8 | Confident | 81 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 70% | 0.701 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -52.2 | -36.8 | 177.4 | -28 | 35.7 | 0 | 0 | 0 | 113.2 | V279 A280 | P276-V279 PolarHBondContact O-N 3.01Å; P276-A280 WeakPolarHBondContact O-CB 3.45Å; P276-A280 PolarHBondContact O-N 3.5Å |
| 277 | D | 79.4 | Confident | 81.7 | Confident | 119 Ų | 119 | 75.7 Ų | 75.7 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 177.4 | -60.3 | -30.2 | 0 | 0 | 0 | 112.5 | S275 A280 R281 | S275-D277 PolarHBondContact O-N 2.72Å; S275-D277 VanDerWaalsContact O-N 3.12Å; D277-A280 PolarHBondContact O-N 3.42Å; D277-R281 WeakPolarHBondContact O-CB 3.27Å; D277-R281 VanDerWaalsContact O-CG 3.23Å; D277-R281 WeakPolarHBondContact O-CG 3.48Å; D277-R281 PolarHBondContact O-N 3.36Å |
| 278 | V | 82 | Confident | 82.5 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 28% | 0.279 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 177.1 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | L155 P274 S275 R281 K282 | L155-V278 HydrophobicContact CD1-CG1 4.14Å; L155-V278 HydrophobicContact CD2-CG1 4.11Å; P274-V278 HydrophobicContact CB-CB 4.21Å; P274-V278 HydrophobicContact CB-CG1 4Å; S275-V278 PolarHBondContact O-N 3.32Å; S275-V278 WeakPolarHBondContact OG-CG2 3.43Å; S275-V278 PolarHBondContact OG-N 2.75Å; V278-R281 PolarHBondContact O-N 2.79Å; V278-K282 WeakPolarHBondContact O-CB 3.3Å; V278-K282 PolarHBondContact O-N 2.99Å |
| 279 | V | 83.1 | Confident | 82.4 | Confident | 57 Ų | 57 | 73 Ų | 73 | 35% | 0.345 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 174.3 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | P274 S275 P276 R281 K282 L283 | P274-V279 HydrophobicContact CB-CG2 3.87Å; P274-V279 HydrophobicContact CG-CG2 3.65Å; S275-V279 PolarHBondContact O-N 2.97Å; P276-V279 PolarHBondContact O-N 3.01Å; V279-R281 VanDerWaalsContact C-N 3.35Å; V279-R281 PolarHBondContact O-N 3.33Å; V279-K282 WeakPolarHBondContact O-CB 3.43Å; V279-K282 PolarHBondContact O-N 3.32Å; V279-L283 HydrophobicContact CG1-CD1 4.18Å; V279-L283 HydrophobicContact CG1-CG 4.49Å; V279-L283 WeakPolarHBondContact O-CG 3.25Å; V279-L283 PolarHBondContact O-N 3.46Å |
| 280 | A | 83 | Confident | 81.6 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 49% | 0.488 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P276 D277 L283 K284 | P276-A280 WeakPolarHBondContact O-CB 3.45Å; P276-A280 PolarHBondContact O-N 3.5Å; D277-A280 PolarHBondContact O-N 3.42Å; A280-L283 PolarHBondContact O-N 2.91Å; A280-K284 WeakPolarHBondContact O-CB 3.29Å; A280-K284 PolarHBondContact O-N 2.94Å |
| 281 | R | 83.7 | Confident | 79.6 | Confident | 176 Ų | 176 | 78.2 Ų | 78.2 | 66% | 0.664 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.6 | -39.2 | 174.7 | -71.7 | 174.3 | 109.3 | 165.8 | 6 | 112.4 | L155 D277 V278 V279 K284 Q285 | L155-R281 HydrophobicContact CD1-CB 3.96Å; D277-R281 WeakPolarHBondContact O-CB 3.27Å; D277-R281 VanDerWaalsContact O-CG 3.23Å; D277-R281 WeakPolarHBondContact O-CG 3.48Å; D277-R281 PolarHBondContact O-N 3.36Å; V278-R281 PolarHBondContact O-N 2.79Å; V279-R281 VanDerWaalsContact C-N 3.35Å; V279-R281 PolarHBondContact O-N 3.33Å; R281-K284 PolarHBondContact O-N 3.17Å; R281-Q285 WeakPolarHBondContact O-CG 3.36Å; R281-Q285 PolarHBondContact O-N 3.1Å |
| 282 | K | 84.1 | Confident | 77.4 | Confident | 42 Ų | 42 | 83.4 Ų | 83.4 | 18% | 0.183 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 174.6 | -175.9 | 178.9 | 170.3 | -174.4 | 0 | 110.3 | L155 V156 D178 V278 V279 K284 Q285 V286 | L155-K282 HydrophobicContact CB-CB 4.19Å; L155-K282 HydrophobicContact CB-CG 4.17Å; L155-K282 HydrophobicContact CD1-CB 3.86Å; V156-K282 HydrophobicContact CG1-CG 4.09Å; D178-K282 WeakPolarHBondContact OD2-CE 3.48Å; D178-K282 IonicContact OD2-NZ 2.96Å; D178-K282 PolarHBondContact OD2-NZ 3.12Å; V278-K282 WeakPolarHBondContact O-CB 3.3Å; V278-K282 PolarHBondContact O-N 2.99Å; V279-K282 WeakPolarHBondContact O-CB 3.43Å; V279-K282 PolarHBondContact O-N 3.32Å; K282-K284 VanDerWaalsContact C-N 3.31Å; K282-K284 PolarHBondContact O-N 3.15Å; K282-Q285 PolarHBondContact O-N 3.43Å; K282-V286 VanDerWaalsContact O-CG2 3.3Å; K282-V286 WeakPolarHBondContact O-CG2 3.35Å; K282-V286 PolarHBondContact O-N 3.42Å |
| 283 | L | 84.8 | Confident | 75.1 | Confident | 96 Ų | 96 | 85.6 Ų | 85.6 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 177.5 | -69.6 | 173.6 | 0 | 0 | 0 | 111.8 | V279 A280 V286 A287 | V279-L283 HydrophobicContact CG1-CD1 4.18Å; V279-L283 HydrophobicContact CG1-CG 4.49Å; V279-L283 WeakPolarHBondContact O-CG 3.25Å; V279-L283 PolarHBondContact O-N 3.46Å; A280-L283 PolarHBondContact O-N 2.91Å; L283-V286 PolarHBondContact O-N 3.33Å; L283-A287 WeakPolarHBondContact O-CB 3.43Å; L283-A287 PolarHBondContact O-N 3Å |
| 284 | K | 83.1 | Confident | 72.9 | Confident | 131 Ų | 131 | 87.3 Ų | 87.3 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -46.9 | 173.5 | -161.7 | -173.2 | -170.5 | -111.1 | 0 | 111.9 | A280 R281 K282 V286 A287 E288 | A280-K284 WeakPolarHBondContact O-CB 3.29Å; A280-K284 PolarHBondContact O-N 2.94Å; R281-K284 PolarHBondContact O-N 3.17Å; K282-K284 VanDerWaalsContact C-N 3.31Å; K282-K284 PolarHBondContact O-N 3.15Å; K284-V286 VanDerWaalsContact C-N 3.34Å; K284-V286 PolarHBondContact O-N 2.99Å; K284-A287 WeakPolarHBondContact O-CB 3.45Å; K284-A287 PolarHBondContact O-N 3.28Å; K284-E288 WeakPolarHBondContact CD-OE1 3.19Å; K284-E288 VanDerWaalsContact CE-OE1 3.28Å; K284-E288 WeakPolarHBondContact CE-OE1 3.23Å; K284-E288 HydrophobicContact CG-CG 4.45Å; K284-E288 WeakPolarHBondContact CG-OE1 3.17Å; K284-E288 IonicContact NZ-OE1 3.5Å; K284-E288 PolarHBondContact NZ-OE1 3.08Å; K284-E288 WeakPolarHBondContact O-CB 3.3Å; K284-E288 VanDerWaalsContact O-CG 3.3Å; K284-E288 WeakPolarHBondContact O-CG 3.33Å; K284-E288 PolarHBondContact O-N 3.09Å |
| 285 | Q | 82.1 | Confident | 71.3 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 16% | 0.159 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 176.4 | -76.2 | -174.9 | 17.8 | 0 | 0 | 112.9 | S153 V156 R281 K282 K289 | S153-Q285 PolarHBondContact O-NE2 3.02Å; V156-Q285 HydrophobicContact CG2-CB 3.86Å; R281-Q285 WeakPolarHBondContact O-CG 3.36Å; R281-Q285 PolarHBondContact O-N 3.1Å; K282-Q285 PolarHBondContact O-N 3.43Å; Q285-K289 VanDerWaalsContact O-CB 3.24Å; Q285-K289 WeakPolarHBondContact O-CB 3.35Å; Q285-K289 VanDerWaalsContact O-CG 3.27Å; Q285-K289 WeakPolarHBondContact O-CG 3.48Å; Q285-K289 PolarHBondContact O-N 3.15Å |
| 286 | V | 81.4 | Confident | 70 | Confident | 43 Ų | 43 | 87.2 Ų | 87.2 | 26% | 0.261 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 173.2 | 171.9 | 0 | 0 | 0 | 0 | 109.1 | V156 P176 K282 L283 K284 K289 S290 | V156-V286 HydrophobicContact CG1-CG2 3.75Å; V156-V286 HydrophobicContact CG2-CG2 4.26Å; P176-V286 HydrophobicContact CB-CG2 4.42Å; K282-V286 VanDerWaalsContact O-CG2 3.3Å; K282-V286 WeakPolarHBondContact O-CG2 3.35Å; K282-V286 PolarHBondContact O-N 3.42Å; L283-V286 PolarHBondContact O-N 3.33Å; K284-V286 VanDerWaalsContact C-N 3.34Å; K284-V286 PolarHBondContact O-N 2.99Å; V286-K289 PolarHBondContact O-N 3.19Å; V286-S290 WeakPolarHBondContact O-CB 3.33Å; V286-S290 PolarHBondContact O-N 3.36Å; V286-S290 PolarHBondContact O-OG 2.79Å |
| 287 | A | 81.1 | Confident | 68.9 | Low | 62 Ų | 62 | 83.1 Ų | 83.1 | 51% | 0.512 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.7 | -50 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L283 K284 K289 S290 | L283-A287 WeakPolarHBondContact O-CB 3.43Å; L283-A287 PolarHBondContact O-N 3Å; K284-A287 WeakPolarHBondContact O-CB 3.45Å; K284-A287 PolarHBondContact O-N 3.28Å; A287-K289 PolarHBondContact O-N 3.27Å; A287-S290 VanDerWaalsContact CA-OG 3.28Å; A287-S290 WeakPolarHBondContact CA-OG 3.39Å; A287-S290 PolarHBondContact O-N 3.39Å; A287-S290 PolarHBondContact O-OG 2.93Å |
| 288 | E | 76.2 | Confident | 68.3 | Low | 97 Ų | 97 | 81.6 Ų | 81.6 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 178.7 | -74 | 168.5 | -179.2 | 0 | 0 | 112.4 | K284 S290 V291 | K284-E288 WeakPolarHBondContact CD-OE1 3.19Å; K284-E288 VanDerWaalsContact CE-OE1 3.28Å; K284-E288 WeakPolarHBondContact CE-OE1 3.23Å; K284-E288 HydrophobicContact CG-CG 4.45Å; K284-E288 WeakPolarHBondContact CG-OE1 3.17Å; K284-E288 IonicContact NZ-OE1 3.5Å; K284-E288 PolarHBondContact NZ-OE1 3.08Å; K284-E288 WeakPolarHBondContact O-CB 3.3Å; K284-E288 VanDerWaalsContact O-CG 3.3Å; K284-E288 WeakPolarHBondContact O-CG 3.33Å; K284-E288 PolarHBondContact O-N 3.09Å; E288-S290 VanDerWaalsContact C-N 3.29Å; E288-V291 WeakPolarHBondContact O-CG2 3.34Å |
| 289 | K | 72.1 | Confident | 67.4 | Low | 90 Ų | 90 | 79.7 Ų | 79.7 | 39% | 0.391 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -84.7 | -4.6 | 178.8 | -63.7 | -174.9 | -170.5 | -174.5 | 0 | 113.3 | V156 T158 P176 Q285 V286 A287 | V156-K289 HydrophobicContact CG2-CD 4.1Å; V156-K289 PolarHBondContact O-NZ 3.33Å; T158-K289 HydrophobicContact CG2-CB 3.97Å; T158-K289 HydrophobicContact CG2-CD 3.91Å; T158-K289 HydrophobicContact CG2-CG 4.47Å; P176-K289 HydrophobicContact CG-CB 3.88Å; Q285-K289 VanDerWaalsContact O-CB 3.24Å; Q285-K289 WeakPolarHBondContact O-CB 3.35Å; Q285-K289 VanDerWaalsContact O-CG 3.27Å; Q285-K289 WeakPolarHBondContact O-CG 3.48Å; Q285-K289 PolarHBondContact O-N 3.15Å; V286-K289 PolarHBondContact O-N 3.19Å; A287-K289 PolarHBondContact O-N 3.27Å |
| 290 | S | 66.1 | Low | 66.5 | Low | 64 Ų | 64 | 78.2 Ų | 78.2 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 18.5 | 176.1 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | V286 A287 E288 | V286-S290 WeakPolarHBondContact O-CB 3.33Å; V286-S290 PolarHBondContact O-N 3.36Å; V286-S290 PolarHBondContact O-OG 2.79Å; A287-S290 VanDerWaalsContact CA-OG 3.28Å; A287-S290 WeakPolarHBondContact CA-OG 3.39Å; A287-S290 PolarHBondContact O-N 3.39Å; A287-S290 PolarHBondContact O-OG 2.93Å; E288-S290 VanDerWaalsContact C-N 3.29Å |
| 291 | V | 46.4 | Very low | 65.8 | Low | 106 Ų | 106 | 81.4 Ų | 81.4 | 64% | 0.642 | 45% | 0.446 | S | S | * | . | trans | -42.7 | 131.1 | -179.6 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | E288 T293 | E288-V291 WeakPolarHBondContact O-CG2 3.34Å; V291-T293 PolarHBondContact O-N 3.48Å | ||
| 292 | P | 41.6 | Very low | 64.9 | Low | 114 Ų | 114 | 75.6 Ų | 75.6 | 74% | 0.74 | 43% | 0.426 | S | S | * | . | trans | -70.1 | 94.3 | -178.9 | 29.3 | -33.8 | 0 | 0 | 0 | 109.3 | S294 | P292-S294 PolarHBondContact O-N 3.28Š| ||
| 293 | T | 39.2 | Very low | 64 | Low | 129 Ų | 129 | 73.7 Ų | 73.7 | 79% | 0.791 | 42% | 0.417 | S | S | * | . | trans | -60.2 | 122.3 | 139.9 | -15 | 0 | 0 | 0 | 0 | 104.1 | V291 G295 | V291-T293 PolarHBondContact O-N 3.48Å; T293-G295 PolarHBondContact O-N 3.46Å | ||
| 294 | S | 36.3 | Very low | 63.2 | Low | 134 Ų | 134 | 75.7 Ų | 75.7 | 94% | 0.937 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -67.1 | 33.1 | -177 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | P292 | P292-S294 PolarHBondContact O-N 3.28Š|
| 295 | G | 47.3 | Very low | 62.8 | Low | 52 Ų | 52 | 74.3 Ų | 74.3 | 54% | 0.536 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -140.1 | 142.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | T293 | T293-G295 PolarHBondContact O-N 3.46Š|
| 296 | E | 54.5 | Low | 62 | Low | 72 Ų | 72 | 76.3 Ų | 76.3 | 34% | 0.336 | 42% | 0.423 | S | S | . | . | trans | -46.1 | 143.6 | 164.8 | -172 | 169.4 | -153.5 | 0 | 0 | 111.2 | M300 R301 R304 | E296-M300 HydrophobicContact CG-CB 3.55Å; E296-R301 HydrophobicContact CB-CB 4.32Å; E296-R301 HydrophobicContact CG-CB 4.41Å; E296-R304 IonicContact OE1-CZ 2.72Å; E296-R304 IonicContact OE1-NE 3.95Å; E296-R304 PolarHBondContact OE1-NE 3.06Å; E296-R304 IonicContact OE1-NH2 3.91Å; E296-R304 PolarHBondContact OE1-NH2 3.17Å; E296-R304 IonicContact OE2-CZ 2.73Å; E296-R304 IonicContact OE2-NE 3.84Å; E296-R304 PolarHBondContact OE2-NE 2.73Å; E296-R304 IonicContact OE2-NH2 3.62Å; E296-R304 PolarHBondContact OE2-NH2 3.12Å | ||
| 297 | S | 59.7 | Low | 61.1 | Low | 23 Ų | 23 | 77 Ų | 77 | 16% | 0.161 | 43% | 0.425 | C | S | . | . | trans | -46.3 | 145.6 | 178 | 117.3 | 0 | 0 | 0 | 0 | 110.7 | E174 L299 M300 R301 | E174-S297 PolarHBondContact OE1-OG 3.18Å; S297-L299 PolarHBondContact O-N 3.34Å; S297-L299 PolarHBondContact OG-N 3.44Å; S297-M300 PolarHBondContact O-N 2.74Å; S297-M300 PolarHBondContact OG-N 3.22Å; S297-R301 PolarHBondContact O-N 3.1Å | ||
| 298 | I | 65.9 | Low | 60.7 | Low | 86 Ų | 86 | 77.8 Ų | 77.8 | 44% | 0.441 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.1 | -42.5 | -175.4 | -61.7 | 176.1 | 0 | 0 | 0 | 110.2 | E174 K302 F377 | E174-I298 PolarHBondContact OE1-N 3.11Å; E174-I298 VanDerWaalsContact OE1-N 3.1Å; E174-I298 PolarHBondContact OE2-N 3.15Å; I298-K302 WeakPolarHBondContact O-CB 3.47Å; I298-K302 PolarHBondContact O-N 2.71Å; I298-K302 VanDerWaalsContact O-N 3.1Å; I298-F377 HydrophobicContact CG2-CE1 4Å |
| 299 | L | 62.7 | Low | 60.4 | Low | 6 Ų | 6 | 77.5 Ų | 77.5 | 3% | 0.031 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.1 | -78.3 | 159.1 | 0 | 0 | 0 | 112.7 | I160 E174 S297 A303 Y373 F377 | I160-L299 HydrophobicContact CD1-CD1 4.46Å; E174-L299 HydrophobicContact CG-CD1 4.23Å; E174-L299 PolarHBondContact OE1-N 3.48Å; S297-L299 PolarHBondContact O-N 3.34Å; S297-L299 PolarHBondContact OG-N 3.44Å; L299-A303 WeakPolarHBondContact O-CB 3.45Å; L299-A303 PolarHBondContact O-N 3.02Å; L299-Y373 HydrophobicContact CD2-CE2 4.03Å; L299-F377 HydrophobicContact CD2-CE2 3.94Å; L299-F377 HydrophobicContact CD2-CZ 3.81Å; L299-F377 HydrophobicContact CG-CZ 4.4Å |
| 300 | M | 64.4 | Low | 60 | Low | 27 Ų | 27 | 77.5 Ų | 77.5 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69.8 | -39.5 | -177.9 | -72.2 | -64.7 | -71.9 | 0 | 0 | 112.7 | V209 E296 S297 A303 R304 | V209-M300 HydrophobicContact CG1-SD 3.6Å; E296-M300 HydrophobicContact CG-CB 3.55Å; S297-M300 PolarHBondContact O-N 2.74Å; S297-M300 PolarHBondContact OG-N 3.22Å; M300-A303 PolarHBondContact O-N 3.04Å; M300-R304 WeakPolarHBondContact O-CB 3.35Å; M300-R304 PolarHBondContact O-N 2.7Å |
| 301 | R | 68.6 | Low | 60.3 | Low | 126 Ų | 126 | 80 Ų | 80 | 48% | 0.475 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.4 | -51.9 | 176 | -177.8 | 177.5 | 64 | 164.7 | -0.5 | 111 | E296 S297 A303 R304 E305 | E296-R301 HydrophobicContact CB-CB 4.32Å; E296-R301 HydrophobicContact CG-CB 4.41Å; S297-R301 PolarHBondContact O-N 3.1Å; R301-A303 VanDerWaalsContact C-N 3.29Å; R301-A303 PolarHBondContact O-N 2.58Å; R301-R304 WeakPolarHBondContact O-CB 3.45Å; R301-R304 PolarHBondContact O-N 3.01Å; R301-R304 VanDerWaalsContact O-N 3.14Å; R301-E305 WeakPolarHBondContact CG-OE1 3.24Å; R301-E305 WeakPolarHBondContact O-CG 3.43Å; R301-E305 PolarHBondContact O-N 2.62Å |
| 302 | K | 66 | Low | 61.4 | Low | 54 Ų | 54 | 82.9 Ų | 82.9 | 24% | 0.235 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.5 | -79.3 | -169.9 | 169.2 | -169.3 | 0 | 111.6 | F206 I298 R304 E305 Q306 E376 F377 | F206-K302 HydrophobicContact CD1-CB 4.23Å; F206-K302 HydrophobicContact CE1-CB 3.6Å; F206-K302 HydrophobicContact CE1-CD 4.28Å; F206-K302 HydrophobicContact CZ-CB 4.2Å; F206-K302 HydrophobicContact CZ-CD 4.36Å; I298-K302 WeakPolarHBondContact O-CB 3.47Å; I298-K302 PolarHBondContact O-N 2.71Å; I298-K302 VanDerWaalsContact O-N 3.1Å; K302-R304 VanDerWaalsContact C-N 3.32Å; K302-R304 PolarHBondContact O-N 3.44Å; K302-E305 PolarHBondContact O-N 3.2Å; K302-Q306 WeakPolarHBondContact O-CB 3.48Å; K302-Q306 WeakPolarHBondContact O-CG 3.49Å; K302-Q306 PolarHBondContact O-N 3.04Å; K302-E376 IonicContact NZ-OE2 2.96Å; K302-E376 PolarHBondContact NZ-OE2 2.89Å; K302-F377 HydrophobicContact CD-CE1 4.38Å; K302-F377 HydrophobicContact CD-CZ 3.94Å |
| 303 | A | 64.8 | Low | 62.4 | Low | 1 Ų | 1 | 83.1 Ų | 83.1 | 1% | 0.008 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F206 Q210 L299 M300 R301 M307 | F206-A303 HydrophobicContact CB-CB 3.77Å; F206-A303 HydrophobicContact CD1-CB 3.93Å; F206-A303 HydrophobicContact CG-CB 4.26Å; Q210-A303 PolarHBondContact NE2-O 3.48Å; L299-A303 WeakPolarHBondContact O-CB 3.45Å; L299-A303 PolarHBondContact O-N 3.02Å; M300-A303 PolarHBondContact O-N 3.04Å; R301-A303 VanDerWaalsContact C-N 3.29Å; R301-A303 PolarHBondContact O-N 2.58Å; A303-M307 WeakPolarHBondContact O-CG 3.37Å; A303-M307 PolarHBondContact O-N 3.09Å |
| 304 | R | 68.6 | Low | 63.3 | Low | 139 Ų | 139 | 84 Ų | 84 | 53% | 0.525 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.3 | -46.1 | 174.8 | -170.8 | -172.1 | -67.4 | -138.3 | 1.6 | 111.6 | E296 M300 R301 K302 Q306 M307 E308 | E296-R304 IonicContact OE1-CZ 2.72Å; E296-R304 IonicContact OE1-NE 3.95Å; E296-R304 PolarHBondContact OE1-NE 3.06Å; E296-R304 IonicContact OE1-NH2 3.91Å; E296-R304 PolarHBondContact OE1-NH2 3.17Å; E296-R304 IonicContact OE2-CZ 2.73Å; E296-R304 IonicContact OE2-NE 3.84Å; E296-R304 PolarHBondContact OE2-NE 2.73Å; E296-R304 IonicContact OE2-NH2 3.62Å; E296-R304 PolarHBondContact OE2-NH2 3.12Å; M300-R304 WeakPolarHBondContact O-CB 3.35Å; M300-R304 PolarHBondContact O-N 2.7Å; R301-R304 WeakPolarHBondContact O-CB 3.45Å; R301-R304 PolarHBondContact O-N 3.01Å; R301-R304 VanDerWaalsContact O-N 3.14Å; K302-R304 VanDerWaalsContact C-N 3.32Å; K302-R304 PolarHBondContact O-N 3.44Å; R304-Q306 PolarHBondContact O-N 3.47Å; R304-M307 PolarHBondContact O-N 2.97Å; R304-E308 PolarHBondContact O-N 3.07Å |
| 305 | E | 73.3 | Confident | 64.1 | Low | 101 Ų | 101 | 85.7 Ų | 85.7 | 47% | 0.472 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 178.8 | -73.2 | 170.1 | -177.9 | 0 | 0 | 112.2 | R301 K302 M307 E308 L309 | R301-E305 WeakPolarHBondContact CG-OE1 3.24Å; R301-E305 WeakPolarHBondContact O-CG 3.43Å; R301-E305 PolarHBondContact O-N 2.62Å; K302-E305 PolarHBondContact O-N 3.2Å; E305-M307 VanDerWaalsContact C-N 3.34Å; E305-M307 PolarHBondContact O-N 3.43Å; E305-E308 PolarHBondContact O-N 3.09Å; E305-L309 WeakPolarHBondContact O-CG 3.43Å; E305-L309 PolarHBondContact O-N 3.27Å |
| 306 | Q | 66.2 | Low | 64.3 | Low | 76 Ų | 76 | 90.7 Ų | 90.7 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 175.2 | -79 | -100.2 | -19 | 0 | 0 | 112.5 | F206 K302 R304 L309 Q310 | F206-Q306 HydrophobicContact CD2-CG 4.01Å; F206-Q306 HydrophobicContact CE2-CG 4.12Å; K302-Q306 WeakPolarHBondContact O-CB 3.48Å; K302-Q306 WeakPolarHBondContact O-CG 3.49Å; K302-Q306 PolarHBondContact O-N 3.04Å; R304-Q306 PolarHBondContact O-N 3.47Å; Q306-L309 WeakPolarHBondContact O-CB 3.37Å; Q306-L309 PolarHBondContact O-N 2.82Å; Q306-Q310 WeakPolarHBondContact O-CG 3.43Å; Q306-Q310 PolarHBondContact O-N 3.12Å |
| 307 | M | 62.5 | Low | 64 | Low | 59 Ų | 59 | 94 Ų | 94 | 29% | 0.291 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | 175.4 | -80.8 | -159.1 | -59.2 | 0 | 0 | 112.7 | Q210 A303 R304 E305 L309 Q310 K311 | Q210-M307 VanDerWaalsContact CD-SD 3.6Å; Q210-M307 PolarHBondContact NE2-SD 3.08Å; Q210-M307 PolarHBondContact OE1-SD 3.42Å; A303-M307 WeakPolarHBondContact O-CG 3.37Å; A303-M307 PolarHBondContact O-N 3.09Å; R304-M307 PolarHBondContact O-N 2.97Å; E305-M307 VanDerWaalsContact C-N 3.34Å; E305-M307 PolarHBondContact O-N 3.43Å; M307-L309 VanDerWaalsContact C-N 3.31Å; M307-Q310 PolarHBondContact O-N 3.01Å; M307-K311 WeakPolarHBondContact O-CB 3.34Å; M307-K311 WeakPolarHBondContact O-CG 3.38Å; M307-K311 PolarHBondContact O-N 3.11Å |
| 308 | E | 72.6 | Confident | 63.1 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 36% | 0.36 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.3 | -35 | 175.8 | -72.4 | -58 | 132.2 | 0 | 0 | 111.3 | R304 E305 K311 R312 | R304-E308 PolarHBondContact O-N 3.07Å; E305-E308 PolarHBondContact O-N 3.09Å; E308-K311 PolarHBondContact O-N 3.2Å; E308-K311 IonicContact OE1-NZ 2.58Å; E308-K311 PolarHBondContact OE1-NZ 2.72Å; E308-R312 VanDerWaalsContact O-CB 3.28Å; E308-R312 WeakPolarHBondContact O-CB 3.4Å; E308-R312 WeakPolarHBondContact O-CG 3.47Å; E308-R312 PolarHBondContact O-N 3.45Å |
| 309 | L | 69.3 | Low | 61.9 | Low | 91 Ų | 91 | 96.4 Ų | 96.4 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 169.1 | -74.6 | 161.8 | 0 | 0 | 0 | 111.3 | E305 Q306 M307 K311 R312 E313 | E305-L309 WeakPolarHBondContact O-CG 3.43Å; E305-L309 PolarHBondContact O-N 3.27Å; Q306-L309 WeakPolarHBondContact O-CB 3.37Å; Q306-L309 PolarHBondContact O-N 2.82Å; M307-L309 VanDerWaalsContact C-N 3.31Å; L309-K311 VanDerWaalsContact C-N 3.33Å; L309-K311 PolarHBondContact O-N 3.23Å; L309-R312 CarbonylContact O-C 3.58Å; L309-R312 WeakPolarHBondContact O-CB 3.45Å; L309-R312 PolarHBondContact O-N 3Å; L309-R312 VanDerWaalsContact O-N 3.09Å; L309-E313 WeakPolarHBondContact O-CG 3.23Å; L309-E313 PolarHBondContact O-N 3.23Å |
| 310 | Q | 64.9 | Low | 60.9 | Low | 91 Ų | 91 | 104.5 Ų | 104.5 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 177.2 | -72.9 | -179.9 | 15.3 | 0 | 0 | 112.9 | Q306 M307 K314 | Q306-Q310 WeakPolarHBondContact O-CG 3.43Å; Q306-Q310 PolarHBondContact O-N 3.12Å; M307-Q310 PolarHBondContact O-N 3.01Å; Q310-K314 WeakPolarHBondContact O-CB 3.42Å; Q310-K314 WeakPolarHBondContact O-CG 3.16Å; Q310-K314 PolarHBondContact O-N 3.41Å |
| 311 | K | 70.4 | Confident | 59.7 | Low | 116 Ų | 116 | 113.9 Ų | 113.9 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 173.1 | -77.7 | -179.3 | -167.2 | 164.4 | 0 | 111.7 | M307 E308 L309 K315 | M307-K311 WeakPolarHBondContact O-CB 3.34Å; M307-K311 WeakPolarHBondContact O-CG 3.38Å; M307-K311 PolarHBondContact O-N 3.11Å; E308-K311 PolarHBondContact O-N 3.2Å; E308-K311 IonicContact OE1-NZ 2.58Å; E308-K311 PolarHBondContact OE1-NZ 2.72Å; L309-K311 VanDerWaalsContact C-N 3.33Å; L309-K311 PolarHBondContact O-N 3.23Å; K311-K315 WeakPolarHBondContact O-CB 3.44Å; K311-K315 PolarHBondContact O-N 2.79Å |
| 312 | R | 71.1 | Confident | 57.9 | Low | 167 Ų | 167 | 115.7 Ų | 115.7 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.8 | -38.9 | 176.3 | -77.4 | 171.6 | 178.4 | -168.2 | -0.4 | 111.7 | E308 L309 K315 K316 | E308-R312 VanDerWaalsContact O-CB 3.28Å; E308-R312 WeakPolarHBondContact O-CB 3.4Å; E308-R312 WeakPolarHBondContact O-CG 3.47Å; E308-R312 PolarHBondContact O-N 3.45Å; L309-R312 CarbonylContact O-C 3.58Å; L309-R312 WeakPolarHBondContact O-CB 3.45Å; L309-R312 PolarHBondContact O-N 3Å; L309-R312 VanDerWaalsContact O-N 3.09Å; R312-K315 PolarHBondContact O-N 3.4Å; R312-K316 PolarHBondContact O-N 3.24Å |
| 313 | E | 61.8 | Low | 56.4 | Low | 118 Ų | 118 | 119.9 Ų | 119.9 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.4 | -47.1 | 173.4 | -73.4 | 177.4 | 164.8 | 0 | 0 | 111.1 | L309 K315 K316 E317 | L309-E313 WeakPolarHBondContact O-CG 3.23Å; L309-E313 PolarHBondContact O-N 3.23Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 2.85Å; E313-K316 PolarHBondContact O-N 2.67Å; E313-E317 PolarHBondContact O-N 3.33Å |
| 314 | K | 57.7 | Low | 55.9 | Low | 149 Ų | 149 | 125.2 Ų | 125.2 | 65% | 0.648 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.8 | -32 | 172.6 | -74.7 | 178.6 | 179.1 | 177.4 | 0 | 113.1 | Q310 G318 | Q310-K314 WeakPolarHBondContact O-CB 3.42Å; Q310-K314 WeakPolarHBondContact O-CG 3.16Å; Q310-K314 PolarHBondContact O-N 3.41Å; K314-G318 PolarHBondContact O-N 3.2Å |
| 315 | K | 54.2 | Low | 53.9 | Low | 168 Ų | 168 | 123.3 Ų | 123.3 | 73% | 0.73 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.4 | -34.5 | 172.2 | -101.1 | -176.3 | 172.5 | -178.9 | 0 | 112.9 | K311 R312 E313 G318 C319 | K311-K315 WeakPolarHBondContact O-CB 3.44Å; K311-K315 PolarHBondContact O-N 2.79Å; R312-K315 PolarHBondContact O-N 3.4Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 2.85Å; K315-G318 PolarHBondContact O-N 3.02Å; K315-C319 WeakPolarHBondContact O-CB 3.14Å; K315-C319 PolarHBondContact O-N 2.98Å; K315-C319 VanDerWaalsContact O-N 3.1Å |
| 316 | K | 51.6 | Low | 51.9 | Low | 157 Ų | 157 | 123 Ų | 123 | 68% | 0.683 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.1 | -44.1 | 174.2 | -82.6 | -176.1 | 173.6 | -175.8 | 0 | 111.2 | R312 E313 G318 C319 E320 | R312-K316 PolarHBondContact O-N 3.24Å; E313-K316 PolarHBondContact O-N 2.67Å; K316-G318 VanDerWaalsContact C-N 3.26Å; K316-G318 PolarHBondContact O-N 2.91Å; K316-C319 PolarHBondContact O-N 3.29Å; K316-C319 VanDerWaalsContact O-N 3.12Å; K316-E320 PolarHBondContact O-N 3.47Å |
| 317 | E | 46.8 | Very low | 50.1 | Low | 142 Ų | 142 | 126.2 Ų | 126.2 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.4 | -30.5 | 173.1 | -71.6 | -175.2 | 157.7 | 0 | 0 | 112.5 | E313 | E313-E317 PolarHBondContact O-N 3.33Å |
| 318 | G | 42.7 | Very low | 48.6 | Very low | 52 Ų | 52 | 131.8 Ų | 131.8 | 54% | 0.536 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -75.5 | -21.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | K314 K315 K316 | K314-G318 PolarHBondContact O-N 3.2Å; K315-G318 PolarHBondContact O-N 3.02Å; K316-G318 VanDerWaalsContact C-N 3.26Å; K316-G318 PolarHBondContact O-N 2.91Å |
| 319 | C | 39.8 | Very low | 46.4 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -89.6 | -22.1 | -178.5 | -157 | 0 | 0 | 0 | 0 | 112.7 | K315 K316 R321 | K315-C319 WeakPolarHBondContact O-CB 3.14Å; K315-C319 PolarHBondContact O-N 2.98Å; K315-C319 VanDerWaalsContact O-N 3.1Å; K316-C319 PolarHBondContact O-N 3.29Å; K316-C319 VanDerWaalsContact O-N 3.12Å; C319-R321 VanDerWaalsContact C-N 3.32Å; C319-R321 PolarHBondContact O-N 2.99Å |
| 320 | E | 41 | Very low | 44.2 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -86.5 | 7.9 | 178.3 | -72.9 | -172.7 | 167.6 | 0 | 0 | 114.5 | K316 | K316-E320 PolarHBondContact O-N 3.47Š|
| 321 | R | 39.7 | Very low | 43.8 | Very low | 225 Ų | 225 | 134.3 Ų | 134.3 | 85% | 0.849 | 73% | 0.726 | S | S | * | * | trans | -125.9 | 69.4 | 176.6 | -75.5 | -174.4 | 177.9 | 179.7 | 1.7 | 113.6 | C319 | C319-R321 VanDerWaalsContact C-N 3.32Å; C319-R321 PolarHBondContact O-N 2.99Å | ||
| 322 | M | 31.1 | Very low | 41.7 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | -151 | 120.4 | 159.1 | -92.7 | 157.6 | 72.3 | 0 | 0 | 105.2 | ||||
| 323 | N | 35 | Very low | 39.6 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | cis | -169.8 | -173.4 | 24.6 | -105.6 | -12.1 | 0 | 0 | 0 | 107.4 | ||||
| 324 | P | 53.1 | Low | 37.8 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -136 | 160.2 | -39.1 | 36.7 | -19.8 | 0 | 0 | 0 | 113.4 | ||||
| 325 | A | 27.3 | Very low | 36.2 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -171.8 | 98.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 326 | A | 30.4 | Very low | 34.9 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 46.5 | 131.2 | 131.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 327 | V | 29.7 | Very low | 33.5 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 101.5 | 114 | 143.8 | -162.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 328 | M | 29.8 | Very low | 32.5 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -57.1 | 147.1 | 171.3 | -59 | 176 | 113.5 | 0 | 0 | 113.6 | ||||
| 329 | A | 26.9 | Very low | 32.8 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | -172.8 | 123 | 122.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 330 | S | 24.1 | Very low | 32 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -75.4 | -169.2 | 166.2 | -15 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 331 | P | 54.9 | Low | 31.4 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | cis | -143.3 | -167.9 | -18.8 | 27.9 | -2.8 | 0 | 0 | 0 | 114.1 | ||||
| 332 | K | 26.5 | Very low | 30.7 | Very low | 187 Ų | 187 | 125.7 Ų | 125.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 106 | 115.3 | 150.2 | -62.9 | 177.9 | 177.3 | 179.5 | 0 | 115.3 | ||||
| 333 | A | 27.4 | Very low | 30.4 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | cis | 76.7 | 130.4 | 48.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 334 | L | 24.1 | Very low | 30 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 132.7 | 99.4 | 161 | -75.1 | 151.2 | 0 | 0 | 0 | 110.1 | ||||
| 335 | S | 23.8 | Very low | 28.5 | Very low | 88 Ų | 88 | 124.8 Ų | 124.8 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | 80.7 | 104.7 | 78 | 67.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 336 | V | 27.4 | Very low | 28.3 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | 70.8 | 118.3 | 111.1 | -157.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 337 | E | 21.8 | Very low | 28 | Very low | 185 Ų | 185 | 125 Ų | 125 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | 160.3 | 149.9 | 117.1 | -83.5 | -170 | 165.8 | 0 | 0 | 113.4 | |||||
| 338 | V | 26.3 | Very low | 27.7 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -104.7 | -176.6 | -169.7 | 174.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 339 | P | 48.1 | Very low | 27.5 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | cis | -132.6 | -174.7 | -15.9 | 18.5 | 8 | 0 | 0 | 0 | 114.6 | ||||
| 340 | A | 24.7 | Very low | 27.3 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | 124.7 | 108 | 121.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 341 | A | 27 | Very low | 27.3 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | 71.4 | 138.5 | 120 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 342 | S | 25.7 | Very low | 25.8 | Very low | 127 Ų | 127 | 126 Ų | 126 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | 73.3 | 141.5 | 155.3 | 71.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 343 | G | 25.1 | Very low | 25.6 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | 162.1 | 148.6 | 1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 344 | Q | 25.2 | Very low | 25.3 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | 89.9 | 119.6 | 153.9 | -59.6 | -167.2 | -20.4 | 0 | 0 | 123.8 | ||||
| 345 | L | 23 | Very low | 25.2 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | 63.1 | 111.3 | 128 | -79.9 | 110.7 | 0 | 0 | 0 | 124.7 | |||||
| 346 | A | 23.5 | Very low | 25.1 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | 87.1 | 134.2 | 110.6 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 347 | S | 23.3 | Very low | 24.9 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 83.1 | 102.8 | 146.4 | 83.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 348 | A | 24.1 | Very low | 24.9 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | 50.7 | 116.3 | 120.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 349 | A | 23.9 | Very low | 24.7 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | 157.5 | 133.1 | 91.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 350 | N | 23.9 | Very low | 23.5 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | 53.7 | 115.2 | 151.1 | -65.9 | -12.4 | 0 | 0 | 0 | 121.4 | ||||
| 351 | Q | 24.4 | Very low | 23.6 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | 179.7 | 153.9 | 102.4 | -95.3 | 175.2 | 14.1 | 0 | 0 | 112.7 | |||||
| 352 | S | 22.7 | Very low | 23.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -63.2 | 130.3 | -174.3 | 171.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 353 | M | 21.3 | Very low | 23.4 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | 158.4 | 124 | 122.6 | -86.4 | -137.7 | -94.2 | 0 | 0 | 112.6 | |||||
| 354 | N | 22.1 | Very low | 23.7 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | 49.4 | 137.9 | 141.1 | -112.6 | -21.2 | 0 | 0 | 0 | 123.7 | ||||
| 355 | L | 21.4 | Very low | 23.9 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | 86 | 119.1 | 160.5 | -92.7 | 79.5 | 0 | 0 | 0 | 120.7 | ||||
| 356 | K | 22 | Very low | 24.7 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 83.6 | 70.7 | 162.2 | -59 | -178.4 | -178.9 | 178.4 | 0 | 116.9 | K358 | K356-K358 PolarHBondContact O-N 3.07Š| ||
| 357 | S | 22.6 | Very low | 25.6 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -70.2 | 113.3 | 155.7 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | T359 | S357-T359 PolarHBondContact O-N 2.93Š| ||
| 358 | K | 23.2 | Very low | 26.7 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -47.7 | 127.8 | 163.3 | -72.1 | 168.4 | 172.6 | 174.6 | 0 | 110 | K356 R360 | K356-K358 PolarHBondContact O-N 3.07Å; K358-R360 PolarHBondContact O-N 3.45Å | ||
| 359 | T | 22.3 | Very low | 27.9 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 91% | 0.908 | 72% | 0.716 | S | S | * | * | trans | -62.4 | 96.5 | 169.4 | -18.5 | 0 | 0 | 0 | 0 | 108.7 | S357 | S357-T359 PolarHBondContact O-N 2.93Š| ||
| 360 | R | 23.2 | Very low | 29 | Very low | 235 Ų | 235 | 132.5 Ų | 132.5 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 122.2 | 166.2 | -169 | 172.9 | -179.3 | 175.1 | -1.6 | 106.7 | K358 T362 | K358-R360 PolarHBondContact O-N 3.45Å; R360-T362 PolarHBondContact O-N 3.1Å |
| 361 | A | 25.8 | Very low | 30.1 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 78% | 0.777 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 121 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 362 | T | 21.8 | Very low | 31.4 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 74% | 0.742 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 136.9 | 170.4 | 44.7 | 0 | 0 | 0 | 0 | 110.3 | R360 K364 | R360-T362 PolarHBondContact O-N 3.1Å; T362-K364 PolarHBondContact O-N 3.36Å |
| 363 | P | 27.2 | Very low | 32.5 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 84% | 0.838 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 134.3 | 168.6 | -13.6 | 27.8 | 0 | 0 | 0 | 109.9 | ||
| 364 | K | 30 | Very low | 33.9 | Very low | 198 Ų | 198 | 116 Ų | 116 | 86% | 0.861 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 145.6 | -177.3 | -71.6 | 175.5 | 175.7 | 178.2 | 0 | 111.5 | T362 R366 | T362-K364 PolarHBondContact O-N 3.36Å; K364-R366 PolarHBondContact O-N 2.93Å |
| 365 | Q | 31.1 | Very low | 35 | Very low | 148 Ų | 148 | 116.6 Ų | 116.6 | 69% | 0.692 | 59% | 0.588 | S | S | * | * | trans | -53 | 109.9 | -171.3 | -66.3 | 168.4 | -27 | 0 | 0 | 114.4 | G367 | Q365-G367 PolarHBondContact O-N 3.1Š| ||
| 366 | R | 38.7 | Very low | 36.1 | Very low | 144 Ų | 144 | 114.2 Ų | 114.2 | 54% | 0.543 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.7 | 7.9 | 168.9 | -84.7 | -177.2 | 175.1 | -173.6 | -5.2 | 114.5 | K364 | K364-R366 PolarHBondContact O-N 2.93Š|
| 367 | G | 41.8 | Very low | 37 | Very low | 24 Ų | 24 | 106.1 Ų | 106.1 | 25% | 0.247 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 5 | -166 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q365 R385 | Q365-G367 PolarHBondContact O-N 3.1Å; G367-R385 VanDerWaalsContact O-CZ 3.25Å; G367-R385 PolarHBondContact O-NH1 3.27Å; G367-R385 PolarHBondContact O-NH2 2.92Å |
| 368 | Q | 46.3 | Very low | 37.7 | Very low | 71 Ų | 71 | 106 Ų | 106 | 33% | 0.332 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.8 | -41.4 | -175.1 | -166.3 | 64 | 33.3 | 0 | 0 | 112.7 | S370 R371 D372 | Q368-S370 PolarHBondContact O-N 3.09Å; Q368-R371 WeakPolarHBondContact O-CB 3.47Å; Q368-R371 PolarHBondContact O-N 3.14Å; Q368-R371 VanDerWaalsContact O-N 3.08Å; Q368-D372 PolarHBondContact NE2-OD1 3.46Å; Q368-D372 PolarHBondContact O-N 3.17Å; Q368-D372 VanDerWaalsContact O-N 3.1Å |
| 369 | I | 49.9 | Very low | 38.1 | Very low | 11 Ų | 11 | 101.5 Ų | 101.5 | 6% | 0.056 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -58.1 | -50.5 | -172.2 | -49.4 | 165 | 0 | 0 | 0 | 112.9 | L165 Y201 T202 I205 L208 R371 D372 Y373 | L165-I369 HydrophobicContact CD2-CD1 4.49Å; Y201-I369 HydrophobicContact CE2-CD1 4.18Å; T202-I369 WeakPolarHBondContact O-CD1 3.45Å; T202-I369 WeakPolarHBondContact O-CG1 3.4Å; I205-I369 HydrophobicContact CB-CG2 3.92Å; I205-I369 HydrophobicContact CD1-CG2 4.06Å; L208-I369 HydrophobicContact CD2-CG2 4.38Å; I369-R371 VanDerWaalsContact C-N 3.28Å; I369-R371 PolarHBondContact O-N 2.63Å; I369-D372 PolarHBondContact O-N 3.44Å; I369-Y373 WeakPolarHBondContact O-CB 3.25Å; I369-Y373 PolarHBondContact O-N 3.43Å |
| 370 | S | 48.3 | Very low | 38.9 | Very low | 31 Ų | 31 | 95.6 Ų | 95.6 | 22% | 0.217 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -72.8 | -18.9 | -179.2 | -1.8 | 0 | 0 | 0 | 0 | 113.5 | Q368 E374 R385 | Q368-S370 PolarHBondContact O-N 3.09Å; S370-E374 WeakPolarHBondContact O-CB 3.4Å; S370-E374 VanDerWaalsContact O-CD 3.28Å; S370-E374 WeakPolarHBondContact O-CG 3.36Å; S370-E374 PolarHBondContact O-N 3.25Å; S370-R385 VanDerWaalsContact CA-NH2 3.27Å; S370-R385 PolarHBondContact OG-NH2 3.02Å |
| 371 | R | 47 | Very low | 39.8 | Very low | 146 Ų | 146 | 87.3 Ų | 87.3 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -72.2 | -48.9 | 172.3 | -87.8 | 168.2 | -173.7 | -172.5 | 2.5 | 110.6 | Q368 I369 Y373 E374 Q375 R385 | Q368-R371 WeakPolarHBondContact O-CB 3.47Å; Q368-R371 PolarHBondContact O-N 3.14Å; Q368-R371 VanDerWaalsContact O-N 3.08Å; I369-R371 VanDerWaalsContact C-N 3.28Å; I369-R371 PolarHBondContact O-N 2.63Å; R371-Y373 PolarHBondContact O-N 3.36Å; R371-E374 PolarHBondContact O-N 3.41Å; R371-Q375 VanDerWaalsContact O-CB 3.26Å; R371-Q375 WeakPolarHBondContact O-CB 3.34Å; R371-Q375 PolarHBondContact O-N 3.21Å; R371-R385 VanDerWaalsContact N-NH2 3.19Å |
| 372 | D | 50 | Low | 40.4 | Very low | 49 Ų | 49 | 84.1 Ų | 84.1 | 26% | 0.262 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.1 | -31.7 | 178.4 | -60.2 | -10 | 0 | 0 | 0 | 111 | Q368 I369 E376 | Q368-D372 PolarHBondContact NE2-OD1 3.46Å; Q368-D372 PolarHBondContact O-N 3.17Å; Q368-D372 VanDerWaalsContact O-N 3.1Å; I369-D372 PolarHBondContact O-N 3.44Å; D372-E376 VanDerWaalsContact O-CB 3.3Å; D372-E376 WeakPolarHBondContact O-CB 3.39Å; D372-E376 VanDerWaalsContact O-CG 3.25Å; D372-E376 WeakPolarHBondContact O-CG 3.16Å; D372-E376 PolarHBondContact O-N 3.23Å |
| 373 | Y | 46.3 | Very low | 41.2 | Very low | 4 Ų | 4 | 78.7 Ų | 78.7 | 2% | 0.016 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72 | -46.6 | 175 | -168.7 | -114.8 | 0 | 0 | 0 | 113.3 | P164 I205 L299 I369 R371 Q375 E376 F377 V380 V382 | P164-Y373 HydrophobicContact CG-CD1 3.95Å; P164-Y373 HydrophobicContact CG-CE1 4.03Å; P164-Y373 HydrophobicContact CG-CG 4.26Å; I205-Y373 HydrophobicContact CD1-CD2 4.12Å; I205-Y373 HydrophobicContact CD1-CE2 4.45Å; I205-Y373 HydrophobicContact CG1-CD2 3.58Å; I205-Y373 HydrophobicContact CG1-CE2 4.16Å; I205-Y373 HydrophobicContact CG1-CG 4.28Å; L299-Y373 HydrophobicContact CD2-CE2 4.03Å; I369-Y373 WeakPolarHBondContact O-CB 3.25Å; I369-Y373 PolarHBondContact O-N 3.43Å; R371-Y373 PolarHBondContact O-N 3.36Å; Y373-Q375 VanDerWaalsContact C-N 3.31Å; Y373-Q375 PolarHBondContact O-N 3.18Å; Y373-E376 PolarHBondContact O-N 3.28Å; Y373-F377 AromaticContact CD2-CD2 3.84Å; Y373-F377 HydrophobicContact CD2-CD2 3.84Å; Y373-F377 HydrophobicContact CD2-CE2 4.24Å; Y373-F377 HydrophobicContact CE2-CD2 4.05Å; Y373-F377 HydrophobicContact CE2-CE2 4.41Å; Y373-F377 PolarHBondContact O-N 3.41Å; Y373-F377 VanDerWaalsContact O-N 3.15Å; Y373-V380 HydrophobicContact CE1-CB 4.23Å; Y373-V380 HydrophobicContact CE1-CG1 3.7Å; Y373-V380 WeakPolarHBondContact OH-CG1 3.49Å; Y373-V382 HydrophobicContact CD1-CG2 3.58Å; Y373-V382 HydrophobicContact CE1-CG2 3.77Å |
| 374 | E | 50.2 | Low | 41.5 | Very low | 79 Ų | 79 | 74.7 Ų | 74.7 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 176.6 | -75.6 | 162 | -156.9 | 0 | 0 | 112 | S370 R371 V382 | S370-E374 WeakPolarHBondContact O-CB 3.4Å; S370-E374 VanDerWaalsContact O-CD 3.28Å; S370-E374 WeakPolarHBondContact O-CG 3.36Å; S370-E374 PolarHBondContact O-N 3.25Å; R371-E374 PolarHBondContact O-N 3.41Å; E374-V382 HydrophobicContact CG-CB 4.24Å; E374-V382 HydrophobicContact CG-CG2 4.01Å |
| 375 | Q | 46.8 | Very low | 41.6 | Very low | 159 Ų | 159 | 68.7 Ų | 68.7 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -76.4 | -28.9 | -177.1 | -156.7 | 171.3 | 12.8 | 0 | 0 | 113.1 | R371 Y373 | R371-Q375 VanDerWaalsContact O-CB 3.26Å; R371-Q375 WeakPolarHBondContact O-CB 3.34Å; R371-Q375 PolarHBondContact O-N 3.21Å; Y373-Q375 VanDerWaalsContact C-N 3.31Å; Y373-Q375 PolarHBondContact O-N 3.18Å |
| 376 | E | 42.8 | Very low | 41.6 | Very low | 90 Ų | 90 | 68.7 Ų | 68.7 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -93 | -16 | -179.5 | -74 | -75.8 | 154.5 | 0 | 0 | 113.8 | K302 D372 Y373 | K302-E376 IonicContact NZ-OE2 2.96Å; K302-E376 PolarHBondContact NZ-OE2 2.89Å; D372-E376 VanDerWaalsContact O-CB 3.3Å; D372-E376 WeakPolarHBondContact O-CB 3.39Å; D372-E376 VanDerWaalsContact O-CG 3.25Å; D372-E376 WeakPolarHBondContact O-CG 3.16Å; D372-E376 PolarHBondContact O-N 3.23Å; Y373-E376 PolarHBondContact O-N 3.28Å |
| 377 | F | 40.9 | Very low | 41 | Very low | 23 Ų | 23 | 68.3 Ų | 68.3 | 10% | 0.101 | 37% | 0.366 | C | S | . | . | trans | -141.9 | 76.8 | -175.2 | -57.1 | -81.4 | 0 | 0 | 0 | 113.3 | F206 I298 L299 K302 Y373 S379 V380 | F206-F377 HydrophobicContact CE1-CE2 4.47Å; F206-F377 HydrophobicContact CE1-CZ 4.46Å; I298-F377 HydrophobicContact CG2-CE1 4Å; L299-F377 HydrophobicContact CD2-CE2 3.94Å; L299-F377 HydrophobicContact CD2-CZ 3.81Å; L299-F377 HydrophobicContact CG-CZ 4.4Å; K302-F377 HydrophobicContact CD-CE1 4.38Å; K302-F377 HydrophobicContact CD-CZ 3.94Å; Y373-F377 AromaticContact CD2-CD2 3.84Å; Y373-F377 HydrophobicContact CD2-CD2 3.84Å; Y373-F377 HydrophobicContact CD2-CE2 4.24Å; Y373-F377 HydrophobicContact CE2-CD2 4.05Å; Y373-F377 HydrophobicContact CE2-CE2 4.41Å; Y373-F377 PolarHBondContact O-N 3.41Å; Y373-F377 VanDerWaalsContact O-N 3.15Å; F377-S379 PolarHBondContact O-N 2.89Å; F377-V380 HydrophobicContact CB-CB 4.41Å; F377-V380 HydrophobicContact CB-CG2 4.12Å; F377-V380 PolarHBondContact O-N 3.43Å | ||
| 378 | P | 37.8 | Very low | 40.2 | Very low | 121 Ų | 121 | 79 Ų | 79 | 79% | 0.786 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.6 | 179.5 | -20 | 31 | 0 | 0 | 0 | 114.6 | ||
| 379 | S | 31.5 | Very low | 39.1 | Very low | 107 Ų | 107 | 86.9 Ų | 86.9 | 75% | 0.748 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.8 | -177.5 | 3.7 | 0 | 0 | 0 | 0 | 114.1 | F377 | F377-S379 PolarHBondContact O-N 2.89Š|
| 380 | V | 39.6 | Very low | 37.9 | Very low | 24 Ų | 24 | 89.8 Ų | 89.8 | 15% | 0.145 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -99.9 | 115.2 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 109 | I160 Y373 F377 V382 | I160-V380 HydrophobicContact CG2-CG1 4.17Å; Y373-V380 HydrophobicContact CE1-CB 4.23Å; Y373-V380 HydrophobicContact CE1-CG1 3.7Å; Y373-V380 WeakPolarHBondContact OH-CG1 3.49Å; F377-V380 HydrophobicContact CB-CB 4.41Å; F377-V380 HydrophobicContact CB-CG2 4.12Å; F377-V380 PolarHBondContact O-N 3.43Å; V380-V382 PolarHBondContact O-N 2.72Å |
| 381 | E | 41.5 | Very low | 36.8 | Very low | 60 Ų | 60 | 95.1 Ų | 95.1 | 28% | 0.28 | 48% | 0.484 | S | S | . | . | trans | -77.2 | 116.4 | 178.7 | -71 | 160.7 | -149.5 | 0 | 0 | 109.2 | K43 F146 K161 | K43-E381 WeakPolarHBondContact CE-OE1 3.38Å; K43-E381 IonicContact NZ-OE1 2.78Å; K43-E381 PolarHBondContact NZ-OE1 3.46Å; F146-E381 HydrophobicContact CE1-CB 3.68Å; F146-E381 WeakPolarHBondContact CE1-O 3.2Å; F146-E381 HydrophobicContact CZ-CB 4.29Å; F146-E381 WeakPolarHBondContact CZ-O 3.33Å; K161-E381 HydrophobicContact CD-CB 4.11Å; K161-E381 VanDerWaalsContact NZ-CG 3.33Å; K161-E381 IonicContact NZ-OE1 3.81Å; K161-E381 PolarHBondContact NZ-OE1 3.48Å; K161-E381 VanDerWaalsContact NZ-OE1 3.07Å; K161-E381 IonicContact NZ-OE2 3.26Å; K161-E381 PolarHBondContact NZ-OE2 3.06Å | ||
| 382 | V | 38.8 | Very low | 35.8 | Very low | 27 Ų | 27 | 96 Ų | 96 | 16% | 0.164 | 50% | 0.5 | C | S | . | . | trans | -106.9 | 137.3 | 177.1 | -164.9 | 0 | 0 | 0 | 0 | 108.6 | Y373 E374 V380 | Y373-V382 HydrophobicContact CD1-CG2 3.58Å; Y373-V382 HydrophobicContact CE1-CG2 3.77Å; E374-V382 HydrophobicContact CG-CB 4.24Å; E374-V382 HydrophobicContact CG-CG2 4.01Å; V380-V382 PolarHBondContact O-N 2.72Å | ||
| 383 | G | 38.4 | Very low | 34.6 | Very low | 7 Ų | 7 | 105.3 Ų | 105.3 | 7% | 0.072 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 155.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 384 | P | 32.9 | Very low | 33.9 | Very low | 46 Ų | 46 | 111.1 Ų | 111.1 | 30% | 0.299 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -88.5 | 159.7 | -161.4 | 35.8 | -41.1 | 0 | 0 | 0 | 116.1 | S14 F15 | S14-P384 WeakPolarHBondContact OG-CB 3.41Å; S14-P384 WeakPolarHBondContact OG-CG 3.49Å; F15-P384 HydrophobicContact CD2-CG 3.35Å; F15-P384 HydrophobicContact CE2-CB 4.36Å; F15-P384 HydrophobicContact CE2-CG 3.24Å; F15-P384 HydrophobicContact CG-CG 4.1Å; F15-P384 HydrophobicContact CZ-CG 3.89Å |
| 385 | R | 33.9 | Very low | 32.6 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 27% | 0.272 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -100.7 | 146.4 | 179.2 | -65.3 | 174.8 | 171.7 | -149 | -4.1 | 112.6 | G367 S370 R371 | G367-R385 VanDerWaalsContact O-CZ 3.25Å; G367-R385 PolarHBondContact O-NH1 3.27Å; G367-R385 PolarHBondContact O-NH2 2.92Å; S370-R385 VanDerWaalsContact CA-NH2 3.27Å; S370-R385 PolarHBondContact OG-NH2 3.02Å; R371-R385 VanDerWaalsContact N-NH2 3.19Å |
| 386 | L | 29.6 | Very low | 31.5 | Very low | 148 Ų | 148 | 109.1 Ų | 109.1 | 78% | 0.775 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 125.4 | 161.5 | -109.9 | 95.2 | 0 | 0 | 0 | 109.9 | ||
| 387 | V | 26.7 | Very low | 30.6 | Very low | 136 Ų | 136 | 112.2 Ų | 112.2 | 82% | 0.824 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 125 | 172.8 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 388 | R | 24.2 | Very low | 29.8 | Very low | 247 Ų | 247 | 120.4 Ų | 120.4 | 93% | 0.932 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 127.1 | 175 | -155.6 | 178.9 | -172.9 | -176.7 | 3.5 | 109.5 | ||
| 389 | R | 24.7 | Very low | 29.1 | Very low | 238 Ų | 238 | 125.5 Ų | 125.5 | 90% | 0.898 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 136.2 | -175.7 | -146 | -179.8 | -163 | -167.6 | 5.3 | 112.7 | ||
| 390 | G | 24 | Very low | 28.7 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 73% | 0.732 | 66% | 0.655 | S | S | * | * | trans | -132.6 | 132.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 391 | N | 26.3 | Very low | 28 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | trans | -67 | 148 | -179.6 | -75.3 | -24.1 | 0 | 0 | 0 | 112.2 | ||||
| 392 | D | 25.3 | Very low | 27.2 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | -172.6 | 153.9 | 115.1 | -89.6 | -24.9 | 0 | 0 | 0 | 113.7 | |||||
| 393 | R | 24.9 | Very low | 26.5 | Very low | 244 Ų | 244 | 140.8 Ų | 140.8 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | trans | -90.4 | 170.2 | -170 | -95 | -174 | -173.5 | -172 | 2.8 | 113 | ||||
| 394 | P | 31.3 | Very low | 25.8 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -92.1 | 154.5 | -161.4 | 36.3 | -32.9 | 0 | 0 | 0 | 113.8 | ||||
| 395 | A | 23.7 | Very low | 25.4 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -115.3 | 137 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 396 | A | 23.2 | Very low | 24.9 | Very low | 87 Ų | 87 | 156.4 Ų | 156.4 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | -108.6 | 166.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 397 | L | 23.9 | Very low | 24.6 | Very low | 154 Ų | 154 | 157.6 Ų | 157.6 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | 76.9 | 115.5 | 152.3 | -69.6 | 151.1 | 0 | 0 | 0 | 119.1 | ||||
| 398 | H | 24.1 | Very low | 24.3 | Very low | 196 Ų | 196 | 157 Ų | 157 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | -158.2 | 146.5 | 104.4 | -108.5 | -13.9 | 0 | 0 | 0 | 113.4 | |||||
| 399 | R | 22.4 | Very low | 24.4 | Very low | 227 Ų | 227 | 153.7 Ų | 153.7 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -111.3 | 170.9 | 178.7 | -118.1 | -170.2 | -171 | -174.4 | 2.4 | 108 | ||||
| 400 | Q | 23.9 | Very low | 24.4 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 103.9 | 134 | 165.2 | -71.2 | -172 | -82.7 | 0 | 0 | 114.5 | ||||
| 401 | D | 23.2 | Very low | 24.4 | Very low | 139 Ų | 139 | 158.1 Ų | 158.1 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | cis | -151.4 | 166.1 | 21.3 | -98.9 | -34.7 | 0 | 0 | 0 | 113.9 | ||||
| 402 | V | 25.3 | Very low | 24.5 | Very low | 129 Ų | 129 | 157.4 Ų | 157.4 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -87.1 | 143.8 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 403 | A | 23.6 | Very low | 24.7 | Very low | 103 Ų | 103 | 156.9 Ų | 156.9 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -149 | 140.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 404 | T | 23.8 | Very low | 24.9 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -101.2 | 139.1 | -158.4 | -19 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 405 | E | 24.8 | Very low | 24.7 | Very low | 141 Ų | 141 | 154 Ų | 154 | 66% | 0.659 | 81% | 0.806 | S | S | * | * | trans | 72.5 | 129.6 | 131 | -101 | -178.2 | -162.7 | 0 | 0 | 125.8 | ||||
| 406 | R | 24 | Very low | 24.9 | Very low | 197 Ų | 197 | 156 Ų | 156 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | 112.6 | 122.3 | 131.1 | -75.3 | 178.1 | -150.6 | -170.3 | 7.4 | 122.1 | ||||
| 407 | H | 22.8 | Very low | 25.3 | Very low | 174 Ų | 174 | 160.5 Ų | 160.5 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | 83.6 | 108.3 | 138.7 | -85.3 | 65.3 | 0 | 0 | 0 | 120.7 | ||||
| 408 | C | 21.8 | Very low | 25.7 | Very low | 124 Ų | 124 | 157.5 Ų | 157.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | -167.3 | 112.1 | 109.1 | -160.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 409 | E | 25.8 | Very low | 26.2 | Very low | 177 Ų | 177 | 159.6 Ų | 159.6 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -90 | 124.5 | 157.7 | -80.4 | 178 | 157.7 | 0 | 0 | 108.4 | ||||
| 410 | N | 24.9 | Very low | 26.4 | Very low | 151 Ų | 151 | 157.3 Ų | 157.3 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | 157.2 | 111.5 | 139.5 | -85.3 | -37.9 | 0 | 0 | 0 | 110.9 | ||||
| 411 | R | 23.1 | Very low | 26.8 | Very low | 251 Ų | 251 | 157.7 Ų | 157.7 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | 167.8 | 104.8 | 130.1 | -93.5 | 175 | 140.5 | -160.6 | -10.6 | 110.7 | ||||
| 412 | V | 29.2 | Very low | 27.5 | Very low | 128 Ų | 128 | 161.5 Ų | 161.5 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -111.1 | 118.9 | 158.9 | 176.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 413 | L | 28.8 | Very low | 27.9 | Very low | 154 Ų | 154 | 164.2 Ų | 164.2 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | 164.6 | 136.9 | 136.7 | -92.3 | 154.2 | 0 | 0 | 0 | 111.3 | ||||
| 414 | E | 29.2 | Very low | 28.7 | Very low | 172 Ų | 172 | 167.7 Ų | 167.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 69.1 | 110.9 | 163.2 | -65.9 | 178.3 | 170 | 0 | 0 | 118.5 | ||||
| 415 | T | 27.4 | Very low | 30.2 | Very low | 138 Ų | 138 | 166.2 Ų | 166.2 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | -163.1 | 118.8 | 125.7 | 5 | 0 | 0 | 0 | 0 | 112.4 | L417 | T415-L417 PolarHBondContact O-N 3.44Š| |||
| 416 | D | 26.8 | Very low | 31.9 | Very low | 152 Ų | 152 | 162.8 Ų | 162.8 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -48.6 | 123.4 | 156.4 | -100.4 | -46 | 0 | 0 | 0 | 110.8 | S418 | D416-S418 PolarHBondContact O-N 3.45Å; D416-S418 VanDerWaalsContact O-N 3.1Å | ||
| 417 | L | 32 | Very low | 33.9 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -86.1 | 64.6 | 172.5 | -86.3 | 160.7 | 0 | 0 | 0 | 110.3 | T415 | T415-L417 PolarHBondContact O-N 3.44Š|
| 418 | S | 32.8 | Very low | 36.2 | Very low | 90 Ų | 90 | 154.1 Ų | 154.1 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -144.5 | 111.7 | 157.8 | 54.8 | 0 | 0 | 0 | 0 | 110 | D416 | D416-S418 PolarHBondContact O-N 3.45Å; D416-S418 VanDerWaalsContact O-N 3.1Å |
| 419 | R | 33.7 | Very low | 38.6 | Very low | 241 Ų | 241 | 152.5 Ų | 152.5 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 77.3 | 91.9 | 176.5 | -54.1 | 173.3 | 171.7 | -177.8 | -2.5 | 115.8 | ||
| 420 | Q | 28 | Very low | 41.1 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | 176.3 | 132.5 | 114.7 | -95.2 | 177.8 | -1 | 0 | 0 | 111.4 | |||||
| 421 | Q | 31.2 | Very low | 43.6 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | 46.5 | 116.8 | 159.7 | -90.1 | 146 | -18.5 | 0 | 0 | 120.4 | K423 | Q421-K423 VanDerWaalsContact C-N 3.33Å; Q421-K423 PolarHBondContact O-N 3.43Å | ||
| 422 | K | 37.7 | Very low | 46.3 | Very low | 220 Ų | 220 | 131.4 Ų | 131.4 | 96% | 0.957 | 66% | 0.663 | S | S | * | * | trans | -39.7 | 87.6 | 156.7 | -71.2 | 174.4 | 174.5 | 177.4 | 0 | 112 | ||||
| 423 | K | 34.6 | Very low | 48.6 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 81% | 0.809 | 66% | 0.655 | S | S | * | * | trans | -94.1 | 133.2 | 146.3 | -87.4 | -178.4 | 175.9 | 177.8 | 0 | 106.4 | Q421 V425 | Q421-K423 VanDerWaalsContact C-N 3.33Å; Q421-K423 PolarHBondContact O-N 3.43Å; K423-V425 VanDerWaalsContact C-N 3.34Å; K423-V425 PolarHBondContact O-N 2.84Å | ||
| 424 | L | 40.6 | Very low | 51.2 | Low | 176 Ų | 176 | 124.5 Ų | 124.5 | 92% | 0.921 | 62% | 0.618 | S | S | * | * | trans | -55.5 | 97 | 175.3 | -154.4 | 81.8 | 0 | 0 | 0 | 107.4 | N426 | L424-N426 PolarHBondContact O-N 3.03Š| ||
| 425 | V | 54.5 | Low | 53.8 | Low | 83 Ų | 83 | 121 Ų | 121 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | trans | -63.5 | 111.9 | 172.9 | 176.4 | 0 | 0 | 0 | 0 | 105.3 | K423 Y427 I430 | K423-V425 VanDerWaalsContact C-N 3.34Å; K423-V425 PolarHBondContact O-N 2.84Å; V425-Y427 VanDerWaalsContact C-N 3.34Å; V425-Y427 VanDerWaalsContact O-CD2 3.28Å; V425-Y427 WeakPolarHBondContact O-CD2 3.37Å; V425-Y427 PolarHBondContact O-N 3.29Å; V425-I430 HydrophobicContact CG1-CD1 3.38Å; V425-I430 HydrophobicContact CG1-CG1 4.49Å | ||
| 426 | N | 62.1 | Low | 56.4 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 37% | 0.374 | 58% | 0.583 | S | S | . | * | trans | -73.8 | 93.8 | 179 | -172.3 | 6.4 | 0 | 0 | 0 | 107.9 | L424 N428 D429 I430 | L424-N426 PolarHBondContact O-N 3.03Å; N426-N428 PolarHBondContact O-N 3.47Å; N426-N428 VanDerWaalsContact O-N 3.13Å; N426-N428 WeakPolarHBondContact OD1-CB 3.5Å; N426-N428 PolarHBondContact OD1-N 3.38Å; N426-D429 HydrophobicContact CB-CB 4.36Å; N426-D429 VanDerWaalsContact CB-OD2 3.32Å; N426-D429 WeakPolarHBondContact CB-OD2 3.38Å; N426-D429 PolarHBondContact ND2-OD1 3.46Å; N426-D429 VanDerWaalsContact ND2-OD1 3.15Å; N426-D429 PolarHBondContact ND2-OD2 3Å; N426-D429 PolarHBondContact O-N 3.25Å; N426-I430 PolarHBondContact O-N 3.05Å | ||
| 427 | Y | 65.5 | Low | 59.1 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 39% | 0.392 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -54.8 | -29.9 | 179.1 | -75.4 | -87.4 | 0 | 0 | 0 | 112 | V425 D429 I430 I431 L466 I478 | V425-Y427 VanDerWaalsContact C-N 3.34Å; V425-Y427 VanDerWaalsContact O-CD2 3.28Å; V425-Y427 WeakPolarHBondContact O-CD2 3.37Å; V425-Y427 PolarHBondContact O-N 3.29Å; Y427-D429 VanDerWaalsContact C-N 3.32Å; Y427-D429 PolarHBondContact O-N 3.21Å; Y427-I430 PolarHBondContact O-N 3.35Å; Y427-I431 WeakPolarHBondContact O-CB 3.41Å; Y427-I431 WeakPolarHBondContact O-CD1 3.24Å; Y427-I431 WeakPolarHBondContact O-CG1 3.48Å; Y427-I431 PolarHBondContact O-N 3.01Å; Y427-L466 HydrophobicContact CE1-CD2 4.15Å; Y427-I478 HydrophobicContact CD1-CD1 4.11Å; Y427-I478 HydrophobicContact CE1-CD1 4.36Å |
| 428 | N | 71.1 | Confident | 61.5 | Low | 89 Ų | 89 | 103.3 Ų | 103.3 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 177.3 | -63.7 | -25.9 | 0 | 0 | 0 | 112.3 | N426 C432 | N426-N428 PolarHBondContact O-N 3.47Å; N426-N428 VanDerWaalsContact O-N 3.13Å; N426-N428 WeakPolarHBondContact OD1-CB 3.5Å; N426-N428 PolarHBondContact OD1-N 3.38Å; N428-C432 WeakPolarHBondContact O-CB 3.32Å; N428-C432 PolarHBondContact O-N 3.46Å; N428-C432 PolarHBondContact O-SG 3.07Å |
| 429 | D | 72.1 | Confident | 64 | Low | 90 Ų | 90 | 102.4 Ų | 102.4 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.7 | -39.7 | 178.1 | -64.3 | -23.5 | 0 | 0 | 0 | 110.8 | N426 Y427 C432 Q433 | N426-D429 HydrophobicContact CB-CB 4.36Å; N426-D429 VanDerWaalsContact CB-OD2 3.32Å; N426-D429 WeakPolarHBondContact CB-OD2 3.38Å; N426-D429 PolarHBondContact ND2-OD1 3.46Å; N426-D429 VanDerWaalsContact ND2-OD1 3.15Å; N426-D429 PolarHBondContact ND2-OD2 3Å; N426-D429 PolarHBondContact O-N 3.25Å; Y427-D429 VanDerWaalsContact C-N 3.32Å; Y427-D429 PolarHBondContact O-N 3.21Å; D429-C432 PolarHBondContact O-N 3.5Å; D429-Q433 WeakPolarHBondContact O-CG 3.22Å; D429-Q433 PolarHBondContact O-N 3.3Å |
| 430 | I | 77.3 | Confident | 66.4 | Low | 45 Ų | 45 | 92.7 Ų | 92.7 | 23% | 0.231 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.8 | -45 | 176 | -62.1 | 177.8 | 0 | 0 | 0 | 110.6 | V425 N426 Y427 C432 Q433 I434 L466 | V425-I430 HydrophobicContact CG1-CD1 3.38Å; V425-I430 HydrophobicContact CG1-CG1 4.49Å; N426-I430 PolarHBondContact O-N 3.05Å; Y427-I430 PolarHBondContact O-N 3.35Å; I430-C432 VanDerWaalsContact C-N 3.32Å; I430-C432 PolarHBondContact O-N 3.01Å; I430-Q433 PolarHBondContact O-N 3.37Å; I430-I434 HydrophobicContact CG2-CD1 3.81Å; I430-I434 HydrophobicContact CG2-CG1 4.41Å; I430-I434 WeakPolarHBondContact O-CG1 3.45Å; I430-I434 PolarHBondContact O-N 3.35Å; I430-L466 HydrophobicContact CG2-CD1 4.12Å |
| 431 | I | 78.4 | Confident | 69.1 | Low | 10 Ų | 10 | 84.1 Ų | 84.1 | 5% | 0.051 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 175 | -72.2 | 166.5 | 0 | 0 | 0 | 110.2 | Y427 Q433 I434 K435 I478 E481 L482 | Y427-I431 WeakPolarHBondContact O-CB 3.41Å; Y427-I431 WeakPolarHBondContact O-CD1 3.24Å; Y427-I431 WeakPolarHBondContact O-CG1 3.48Å; Y427-I431 PolarHBondContact O-N 3.01Å; I431-Q433 PolarHBondContact O-N 3.12Å; I431-I434 PolarHBondContact O-N 3.49Å; I431-K435 VanDerWaalsContact O-CB 3.25Å; I431-K435 WeakPolarHBondContact O-CB 3.27Å; I431-K435 PolarHBondContact O-N 2.91Å; I431-I478 HydrophobicContact CD1-CG1 4.2Å; I431-E481 HydrophobicContact CD1-CB 4.24Å; I431-E481 HydrophobicContact CD1-CG 4.48Å; I431-E481 HydrophobicContact CG2-CB 3.83Å; I431-L482 HydrophobicContact CB-CD2 4.48Å; I431-L482 HydrophobicContact CG2-CD2 3.85Å; I431-L482 HydrophobicContact CG2-CG 4.2Å |
| 432 | C | 78.8 | Confident | 71.6 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 54% | 0.541 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.9 | -72 | 0 | 0 | 0 | 0 | 112.4 | N428 D429 I430 K435 S436 | N428-C432 WeakPolarHBondContact O-CB 3.32Å; N428-C432 PolarHBondContact O-N 3.46Å; N428-C432 PolarHBondContact O-SG 3.07Å; D429-C432 PolarHBondContact O-N 3.5Å; I430-C432 VanDerWaalsContact C-N 3.32Å; I430-C432 PolarHBondContact O-N 3.01Å; C432-K435 PolarHBondContact O-N 3.37Å; C432-S436 WeakPolarHBondContact O-CB 3.49Å; C432-S436 PolarHBondContact O-N 2.94Å; C432-S436 PolarHBondContact O-OG 2.86Å |
| 433 | Q | 78.7 | Confident | 73.8 | Confident | 129 Ų | 129 | 71.9 Ų | 71.9 | 60% | 0.603 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.6 | -39.6 | 176.6 | -76.4 | 178.2 | -5.3 | 0 | 0 | 113 | D429 I430 I431 S436 S437 | D429-Q433 WeakPolarHBondContact O-CG 3.22Å; D429-Q433 PolarHBondContact O-N 3.3Å; I430-Q433 PolarHBondContact O-N 3.37Å; I431-Q433 PolarHBondContact O-N 3.12Å; Q433-S436 PolarHBondContact O-OG 3.47Å; Q433-S437 WeakPolarHBondContact O-CB 3.25Å; Q433-S437 PolarHBondContact O-N 3.44Å; Q433-S437 PolarHBondContact O-OG 2.81Å |
| 434 | I | 83.3 | Confident | 76.1 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.4 | -46.9 | 175.9 | -70.2 | 169.7 | 0 | 0 | 0 | 109.7 | I430 I431 S436 S437 I438 V459 V462 L463 L466 L482 | I430-I434 HydrophobicContact CG2-CD1 3.81Å; I430-I434 HydrophobicContact CG2-CG1 4.41Å; I430-I434 WeakPolarHBondContact O-CG1 3.45Å; I430-I434 PolarHBondContact O-N 3.35Å; I431-I434 PolarHBondContact O-N 3.49Å; I434-S436 PolarHBondContact O-N 3.17Å; I434-S437 PolarHBondContact O-N 3.23Å; I434-I438 HydrophobicContact CG2-CD1 3.77Å; I434-I438 HydrophobicContact CG2-CG1 4.41Å; I434-I438 WeakPolarHBondContact O-CG1 3.34Å; I434-I438 PolarHBondContact O-N 2.9Å; I434-V459 HydrophobicContact CG2-CG1 3.8Å; I434-V462 HydrophobicContact CD1-CG1 4.13Å; I434-L463 HydrophobicContact CD1-CD2 3.92Å; I434-L463 HydrophobicContact CD1-CG 4.33Å; I434-L463 HydrophobicContact CG2-CD1 4.25Å; I434-L463 HydrophobicContact CG2-CD2 4.25Å; I434-L463 HydrophobicContact CG2-CG 4.39Å; I434-L466 HydrophobicContact CD1-CD1 3.88Å; I434-L482 HydrophobicContact CB-CD2 4.04Å; I434-L482 HydrophobicContact CG2-CD1 4.02Å; I434-L482 HydrophobicContact CG2-CD2 3.72Å |
| 435 | K | 83.1 | Confident | 78.1 | Confident | 98 Ų | 98 | 57.4 Ų | 57.4 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 179.4 | -170.8 | 171.2 | -173.9 | 164.7 | 0 | 112.1 | I431 C432 S437 T439 L482 | I431-K435 VanDerWaalsContact O-CB 3.25Å; I431-K435 WeakPolarHBondContact O-CB 3.27Å; I431-K435 PolarHBondContact O-N 2.91Å; C432-K435 PolarHBondContact O-N 3.37Å; K435-S437 VanDerWaalsContact C-N 3.34Å; K435-T439 WeakPolarHBondContact O-CB 3.46Å; K435-T439 PolarHBondContact O-N 3.37Å; K435-T439 PolarHBondContact O-OG1 3.38Å; K435-L482 HydrophobicContact CB-CD2 4.18Å |
| 436 | S | 81.8 | Confident | 79.2 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 176.2 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | C432 Q433 I434 T439 A440 | C432-S436 WeakPolarHBondContact O-CB 3.49Å; C432-S436 PolarHBondContact O-N 2.94Å; C432-S436 PolarHBondContact O-OG 2.86Å; Q433-S436 PolarHBondContact O-OG 3.47Å; I434-S436 PolarHBondContact O-N 3.17Å; S436-T439 PolarHBondContact O-N 3.4Å; S436-A440 VanDerWaalsContact O-CB 3.24Å; S436-A440 WeakPolarHBondContact O-CB 3.22Å; S436-A440 PolarHBondContact O-N 3.28Å |
| 437 | S | 83 | Confident | 79.7 | Confident | 24 Ų | 24 | 58 Ų | 58 | 17% | 0.168 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 177.4 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | Q433 I434 K435 A440 F441 Q455 | Q433-S437 WeakPolarHBondContact O-CB 3.25Å; Q433-S437 PolarHBondContact O-N 3.44Å; Q433-S437 PolarHBondContact O-OG 2.81Å; I434-S437 PolarHBondContact O-N 3.23Å; K435-S437 VanDerWaalsContact C-N 3.34Å; S437-A440 PolarHBondContact O-N 3.43Å; S437-F441 WeakPolarHBondContact O-CB 3.25Å; S437-F441 PolarHBondContact O-N 2.95Å; S437-Q455 PolarHBondContact OG-NE2 3.31Å |
| 438 | I | 84.2 | Confident | 79.2 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.046 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 173.7 | -70.1 | 169.5 | 0 | 0 | 0 | 110.2 | I434 A440 F441 Q442 I456 V459 F488 L491 | I434-I438 HydrophobicContact CG2-CD1 3.77Å; I434-I438 HydrophobicContact CG2-CG1 4.41Å; I434-I438 WeakPolarHBondContact O-CG1 3.34Å; I434-I438 PolarHBondContact O-N 2.9Å; I438-A440 PolarHBondContact O-N 3.41Å; I438-F441 PolarHBondContact O-N 3.41Å; I438-Q442 WeakPolarHBondContact O-CB 3.41Å; I438-Q442 PolarHBondContact O-N 2.83Å; I438-I456 HydrophobicContact CG1-CD1 4.27Å; I438-V459 HydrophobicContact CD1-CG1 4.41Å; I438-V459 HydrophobicContact CG1-CG1 4.21Å; I438-F488 HydrophobicContact CD1-CE2 3.82Å; I438-F488 HydrophobicContact CD1-CZ 4.46Å; I438-L491 HydrophobicContact CG2-CD1 4.16Å |
| 439 | T | 83.9 | Confident | 78.8 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 179.7 | -49.3 | 0 | 0 | 0 | 0 | 111.4 | K435 S436 F441 Q442 V443 | K435-T439 WeakPolarHBondContact O-CB 3.46Å; K435-T439 PolarHBondContact O-N 3.37Å; K435-T439 PolarHBondContact O-OG1 3.38Å; S436-T439 PolarHBondContact O-N 3.4Å; T439-F441 PolarHBondContact O-N 2.96Å; T439-Q442 PolarHBondContact O-N 3Å; T439-V443 WeakPolarHBondContact O-CG2 3.36Å; T439-V443 PolarHBondContact O-N 3.02Å |
| 440 | A | 83.9 | Confident | 78.5 | Confident | 37 Ų | 37 | 62 Ų | 62 | 31% | 0.306 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S436 S437 I438 V443 Q444 | S436-A440 VanDerWaalsContact O-CB 3.24Å; S436-A440 WeakPolarHBondContact O-CB 3.22Å; S436-A440 PolarHBondContact O-N 3.28Å; S437-A440 PolarHBondContact O-N 3.43Å; I438-A440 PolarHBondContact O-N 3.41Å; A440-V443 PolarHBondContact O-N 3.31Å; A440-Q444 WeakPolarHBondContact O-CG 3.34Å; A440-Q444 PolarHBondContact O-N 3.47Å |
| 441 | F | 85.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.9 | -172.4 | -109.1 | 0 | 0 | 0 | 111.8 | S437 I438 T439 V443 Q444 L445 I451 I456 L491 F501 | S437-F441 WeakPolarHBondContact O-CB 3.25Å; S437-F441 PolarHBondContact O-N 2.95Å; I438-F441 PolarHBondContact O-N 3.41Å; T439-F441 PolarHBondContact O-N 2.96Å; F441-V443 VanDerWaalsContact C-N 3.35Å; F441-V443 PolarHBondContact O-N 3.4Å; F441-Q444 WeakPolarHBondContact O-CB 3.43Å; F441-Q444 PolarHBondContact O-N 2.99Å; F441-Q444 VanDerWaalsContact O-N 3.15Å; F441-L445 HydrophobicContact CD1-CD1 3.97Å; F441-L445 HydrophobicContact CD1-CG 4.49Å; F441-L445 HydrophobicContact CE1-CD1 3.68Å; F441-L445 HydrophobicContact CE1-CG 4.18Å; F441-L445 HydrophobicContact CZ-CD1 4.36Å; F441-L445 HydrophobicContact CZ-CD2 4.39Å; F441-L445 HydrophobicContact CZ-CG 4.41Å; F441-L445 PolarHBondContact O-N 3.36Å; F441-I451 HydrophobicContact CD2-CG2 4.41Å; F441-I451 HydrophobicContact CE2-CG2 3.62Å; F441-I451 HydrophobicContact CZ-CG2 4.23Å; F441-I456 HydrophobicContact CD1-CB 4.12Å; F441-I456 HydrophobicContact CD1-CD1 4.21Å; F441-I456 HydrophobicContact CD1-CG1 4.06Å; F441-I456 HydrophobicContact CD1-CG2 4.39Å; F441-I456 HydrophobicContact CD2-CB 4.22Å; F441-I456 HydrophobicContact CD2-CG2 4.29Å; F441-I456 HydrophobicContact CE1-CB 4.27Å; F441-I456 HydrophobicContact CE1-CG1 4.25Å; F441-I456 HydrophobicContact CE1-CG2 4.05Å; F441-I456 HydrophobicContact CE2-CB 4.36Å; F441-I456 HydrophobicContact CE2-CG2 3.93Å; F441-I456 HydrophobicContact CG-CB 4.11Å; F441-I456 HydrophobicContact CG-CG1 4.47Å; F441-I456 HydrophobicContact CZ-CB 4.4Å; F441-I456 HydrophobicContact CZ-CG2 3.81Å; F441-L491 HydrophobicContact CD1-CD1 4.41Å; F441-L491 HydrophobicContact CD1-CD2 3.77Å; F441-L491 HydrophobicContact CE1-CD2 4.38Å; F441-F501 HydrophobicContact CZ-CE2 4.13Å; F441-F501 HydrophobicContact CZ-CZ 4.37Å |
| 442 | Q | 83.6 | Confident | 78.5 | Confident | 41 Ų | 41 | 64.6 Ų | 64.6 | 19% | 0.192 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 174.9 | -166.8 | 175.1 | 19.5 | 0 | 0 | 112.4 | I438 T439 Q444 L445 I446 L491 D494 | I438-Q442 WeakPolarHBondContact O-CB 3.41Å; I438-Q442 PolarHBondContact O-N 2.83Å; T439-Q442 PolarHBondContact O-N 3Å; Q442-Q444 VanDerWaalsContact C-N 3.33Å; Q442-Q444 PolarHBondContact O-N 3.03Å; Q442-L445 PolarHBondContact O-N 2.71Å; Q442-I446 HydrophobicContact CG-CD1 4.23Å; Q442-I446 WeakPolarHBondContact O-CG1 3.44Å; Q442-I446 PolarHBondContact O-N 3.35Å; Q442-L491 HydrophobicContact CB-CD2 3.98Å; Q442-L491 HydrophobicContact CG-CD2 4.37Å; Q442-D494 VanDerWaalsContact CG-OD2 3.32Å; Q442-D494 WeakPolarHBondContact CG-OD2 3.16Å; Q442-D494 PolarHBondContact NE2-OD2 2.96Å |
| 443 | V | 83.8 | Confident | 78.6 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 59% | 0.588 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.3 | -37.6 | 175 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | T439 A440 F441 L445 I446 G447 | T439-V443 WeakPolarHBondContact O-CG2 3.36Å; T439-V443 PolarHBondContact O-N 3.02Å; A440-V443 PolarHBondContact O-N 3.31Å; F441-V443 VanDerWaalsContact C-N 3.35Å; F441-V443 PolarHBondContact O-N 3.4Å; V443-L445 VanDerWaalsContact C-N 3.32Å; V443-L445 PolarHBondContact O-N 3.01Å; V443-I446 PolarHBondContact O-N 3.4Å; V443-G447 PolarHBondContact O-N 3.1Å |
| 444 | Q | 83.7 | Confident | 78.7 | Confident | 51 Ų | 51 | 60 Ų | 60 | 24% | 0.238 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 175.2 | -71.6 | 170 | 30.7 | 0 | 0 | 112.5 | A440 F441 Q442 | A440-Q444 WeakPolarHBondContact O-CG 3.34Å; A440-Q444 PolarHBondContact O-N 3.47Å; F441-Q444 WeakPolarHBondContact O-CB 3.43Å; F441-Q444 PolarHBondContact O-N 2.99Å; F441-Q444 VanDerWaalsContact O-N 3.15Å; Q442-Q444 VanDerWaalsContact C-N 3.33Å; Q442-Q444 PolarHBondContact O-N 3.03Å |
| 445 | L | 81.7 | Confident | 78.5 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.9 | -32.4 | 176.9 | -73.1 | 170.1 | 0 | 0 | 0 | 113.2 | F441 Q442 V443 I451 L491 D494 S495 N498 F501 | F441-L445 HydrophobicContact CD1-CD1 3.97Å; F441-L445 HydrophobicContact CD1-CG 4.49Å; F441-L445 HydrophobicContact CE1-CD1 3.68Å; F441-L445 HydrophobicContact CE1-CG 4.18Å; F441-L445 HydrophobicContact CZ-CD1 4.36Å; F441-L445 HydrophobicContact CZ-CD2 4.39Å; F441-L445 HydrophobicContact CZ-CG 4.41Å; F441-L445 PolarHBondContact O-N 3.36Å; Q442-L445 PolarHBondContact O-N 2.71Å; V443-L445 VanDerWaalsContact C-N 3.32Å; V443-L445 PolarHBondContact O-N 3.01Å; L445-I451 HydrophobicContact CD2-CD1 4.28Å; L445-L491 HydrophobicContact CD1-CD2 4.04Å; L445-D494 HydrophobicContact CB-CB 4.4Å; L445-D494 HydrophobicContact CD1-CB 4.22Å; L445-S495 WeakPolarHBondContact CD1-OG 3.28Å; L445-N498 PolarHBondContact O-ND2 2.83Å; L445-F501 HydrophobicContact CD2-CD2 3.74Å; L445-F501 HydrophobicContact CD2-CE2 3.96Å; L445-F501 HydrophobicContact CD2-CG 4.05Å; L445-F501 HydrophobicContact CD2-CZ 4.46Å |
| 446 | I | 78.1 | Confident | 78.5 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 65% | 0.646 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -89.4 | -25.7 | -178.7 | -60.4 | 167.3 | 0 | 0 | 0 | 111.6 | Q442 V443 | Q442-I446 HydrophobicContact CG-CD1 4.23Å; Q442-I446 WeakPolarHBondContact O-CG1 3.44Å; Q442-I446 PolarHBondContact O-N 3.35Å; V443-I446 PolarHBondContact O-N 3.4Å |
| 447 | G | 71.8 | Confident | 78.6 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -85 | 171.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V443 | V443-G447 PolarHBondContact O-N 3.1Š|
| 448 | V | 55.3 | Low | 78.5 | Confident | 163 Ų | 163 | 61.1 Ų | 61.1 | 99% | 0.988 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -97.4 | 94.7 | 172.7 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 449 | G | 64.3 | Low | 78.6 | Confident | 58 Ų | 58 | 61.1 Ų | 61.1 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -171.6 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 450 | V | 65.8 | Low | 78.5 | Confident | 141 Ų | 141 | 58 Ų | 58 | 86% | 0.855 | 34% | 0.337 | S | S | * | . | trans | -74.7 | 124.4 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 451 | I | 77.2 | Confident | 78.5 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | trans | -87 | 120.4 | -177.1 | -59.5 | 170.1 | 0 | 0 | 0 | 109.4 | F441 L445 V453 F501 | F441-I451 HydrophobicContact CD2-CG2 4.41Å; F441-I451 HydrophobicContact CE2-CG2 3.62Å; F441-I451 HydrophobicContact CZ-CG2 4.23Å; L445-I451 HydrophobicContact CD2-CD1 4.28Å; I451-V453 HydrophobicContact CG2-CG2 4.28Å; I451-V453 PolarHBondContact O-N 2.82Å; I451-F501 HydrophobicContact CD1-CB 4.18Å; I451-F501 HydrophobicContact CD1-CD2 3.67Å; I451-F501 HydrophobicContact CD1-CG 4.4Å; I451-F501 HydrophobicContact CG2-CD2 4.1Å; I451-F501 HydrophobicContact CG2-CE2 4Å | ||
| 452 | N | 77.4 | Confident | 78.3 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | trans | -95.1 | 92.6 | 178.5 | -171.6 | -5.8 | 0 | 0 | 0 | 111.8 | Q454 Q455 | N452-Q454 VanDerWaalsContact C-N 3.34Å; N452-Q454 PolarHBondContact O-N 2.89Å; N452-Q454 PolarHBondContact OD1-N 3.38Å; N452-Q455 PolarHBondContact O-N 3.33Å | ||
| 453 | V | 81.3 | Confident | 78.2 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.3 | -25.2 | -175.5 | -164.9 | 0 | 0 | 0 | 0 | 113.5 | I451 Q455 I456 E457 N507 T510 | I451-V453 HydrophobicContact CG2-CG2 4.28Å; I451-V453 PolarHBondContact O-N 2.82Å; V453-Q455 PolarHBondContact O-N 3.13Å; V453-I456 HydrophobicContact CG1-CG2 4.47Å; V453-I456 VanDerWaalsContact O-CG2 3.28Å; V453-I456 WeakPolarHBondContact O-CG2 3.4Å; V453-I456 PolarHBondContact O-N 3.36Å; V453-E457 WeakPolarHBondContact O-CG 3.46Å; V453-E457 PolarHBondContact O-N 3Å; V453-N507 WeakPolarHBondContact CG2-OD1 3.5Å; V453-T510 HydrophobicContact CG1-CG2 3.46Å; V453-T510 VanDerWaalsContact CG1-CG2 3.46Å; V453-T510 WeakPolarHBondContact CG1-OG1 3.44Å |
| 454 | Q | 80.4 | Confident | 78.1 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 48% | 0.477 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.9 | -27.9 | -179.3 | -66.7 | -177.8 | 2.2 | 0 | 0 | 112.2 | N452 Q458 | N452-Q454 VanDerWaalsContact C-N 3.34Å; N452-Q454 PolarHBondContact O-N 2.89Å; N452-Q454 PolarHBondContact OD1-N 3.38Å; Q454-Q458 WeakPolarHBondContact O-CG 3.44Å; Q454-Q458 PolarHBondContact O-N 2.86Å |
| 455 | Q | 80.1 | Confident | 77.8 | Confident | 54 Ų | 54 | 66 Ų | 66 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 178.8 | -171.8 | 174.8 | 2.9 | 0 | 0 | 111.3 | S437 N452 V453 V459 | S437-Q455 PolarHBondContact OG-NE2 3.31Å; N452-Q455 PolarHBondContact O-N 3.33Å; V453-Q455 PolarHBondContact O-N 3.13Å; Q455-V459 WeakPolarHBondContact O-CG2 3.41Å; Q455-V459 PolarHBondContact O-N 3.31Å |
| 456 | I | 82.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -74.2 | -33.6 | -179.2 | -163.9 | 67.6 | 0 | 0 | 0 | 112.1 | I438 F441 V453 Q458 V459 I460 L491 T510 I514 | I438-I456 HydrophobicContact CG1-CD1 4.27Å; F441-I456 HydrophobicContact CD1-CB 4.12Å; F441-I456 HydrophobicContact CD1-CD1 4.21Å; F441-I456 HydrophobicContact CD1-CG1 4.06Å; F441-I456 HydrophobicContact CD1-CG2 4.39Å; F441-I456 HydrophobicContact CD2-CB 4.22Å; F441-I456 HydrophobicContact CD2-CG2 4.29Å; F441-I456 HydrophobicContact CE1-CB 4.27Å; F441-I456 HydrophobicContact CE1-CG1 4.25Å; F441-I456 HydrophobicContact CE1-CG2 4.05Å; F441-I456 HydrophobicContact CE2-CB 4.36Å; F441-I456 HydrophobicContact CE2-CG2 3.93Å; F441-I456 HydrophobicContact CG-CB 4.11Å; F441-I456 HydrophobicContact CG-CG1 4.47Å; F441-I456 HydrophobicContact CZ-CB 4.4Å; F441-I456 HydrophobicContact CZ-CG2 3.81Å; V453-I456 HydrophobicContact CG1-CG2 4.47Å; V453-I456 VanDerWaalsContact O-CG2 3.28Å; V453-I456 WeakPolarHBondContact O-CG2 3.4Å; V453-I456 PolarHBondContact O-N 3.36Å; I456-Q458 VanDerWaalsContact C-N 3.32Å; I456-Q458 PolarHBondContact O-N 3.12Å; I456-V459 HydrophobicContact CD1-CB 4.39Å; I456-V459 HydrophobicContact CD1-CG1 4.44Å; I456-V459 WeakPolarHBondContact O-CB 3.41Å; I456-V459 PolarHBondContact O-N 3.41Å; I456-I460 HydrophobicContact CG1-CD1 4.43Å; I456-I460 WeakPolarHBondContact O-CG1 3.45Å; I456-I460 PolarHBondContact O-N 3.14Å; I456-L491 HydrophobicContact CD1-CD1 3.93Å; I456-T510 HydrophobicContact CG2-CG2 3.52Å; I456-I514 HydrophobicContact CG1-CD1 4.46Å |
| 457 | E | 83 | Confident | 77.3 | Confident | 50 Ų | 50 | 61 Ų | 61 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 174.8 | -72.3 | 178.4 | 173.5 | 0 | 0 | 112.4 | V453 K461 T510 | V453-E457 WeakPolarHBondContact O-CG 3.46Å; V453-E457 PolarHBondContact O-N 3Å; E457-K461 WeakPolarHBondContact O-CG 3.33Å; E457-K461 PolarHBondContact O-N 2.98Å; E457-T510 HydrophobicContact CG-CG2 3.81Å; E457-T510 PolarHBondContact OE1-OG1 3.31Å |
| 458 | Q | 82.2 | Confident | 77.1 | Confident | 116 Ų | 116 | 63.2 Ų | 63.2 | 54% | 0.542 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 174.8 | -71.6 | 177.8 | 4.5 | 0 | 0 | 111.4 | Q454 I456 I460 K461 V462 | Q454-Q458 WeakPolarHBondContact O-CG 3.44Å; Q454-Q458 PolarHBondContact O-N 2.86Å; I456-Q458 VanDerWaalsContact C-N 3.32Å; I456-Q458 PolarHBondContact O-N 3.12Å; Q458-I460 PolarHBondContact O-N 3Å; Q458-K461 PolarHBondContact O-N 3.28Å; Q458-V462 WeakPolarHBondContact O-CG2 3.47Å; Q458-V462 PolarHBondContact O-N 3.42Å |
| 459 | V | 84.6 | Confident | 77.7 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 175.8 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | I434 I438 Q455 I456 K461 V462 L463 | I434-V459 HydrophobicContact CG2-CG1 3.8Å; I438-V459 HydrophobicContact CD1-CG1 4.41Å; I438-V459 HydrophobicContact CG1-CG1 4.21Å; Q455-V459 WeakPolarHBondContact O-CG2 3.41Å; Q455-V459 PolarHBondContact O-N 3.31Å; I456-V459 HydrophobicContact CD1-CB 4.39Å; I456-V459 HydrophobicContact CD1-CG1 4.44Å; I456-V459 WeakPolarHBondContact O-CB 3.41Å; I456-V459 PolarHBondContact O-N 3.41Å; V459-K461 VanDerWaalsContact C-N 3.34Å; V459-K461 PolarHBondContact O-N 2.9Å; V459-V462 PolarHBondContact O-N 3.29Å; V459-L463 HydrophobicContact CG1-CD1 3.72Å; V459-L463 HydrophobicContact CG1-CG 4.26Å; V459-L463 WeakPolarHBondContact O-CB 3.29Å; V459-L463 WeakPolarHBondContact O-CG 3.48Å; V459-L463 PolarHBondContact O-N 3Å |
| 460 | I | 83.4 | Confident | 77.5 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 178.4 | -67.3 | 164.9 | 0 | 0 | 0 | 111.2 | I456 Q458 V462 L463 R464 F488 E513 I514 F517 | I456-I460 HydrophobicContact CG1-CD1 4.43Å; I456-I460 WeakPolarHBondContact O-CG1 3.45Å; I456-I460 PolarHBondContact O-N 3.14Å; Q458-I460 PolarHBondContact O-N 3Å; I460-V462 PolarHBondContact O-N 3.1Å; I460-L463 PolarHBondContact O-N 3.11Å; I460-R464 WeakPolarHBondContact O-CG 3.34Å; I460-R464 PolarHBondContact O-N 3.25Å; I460-F488 HydrophobicContact CD1-CE1 4.38Å; I460-F488 HydrophobicContact CG1-CE1 3.83Å; I460-F488 HydrophobicContact CG1-CZ 4.27Å; I460-E513 HydrophobicContact CD1-CB 4.24Å; I460-I514 HydrophobicContact CD1-CG1 3.65Å; I460-F517 HydrophobicContact CG2-CB 4.1Å; I460-F517 HydrophobicContact CG2-CD2 4.34Å; I460-F517 HydrophobicContact CG2-CG 4.4Å |
| 461 | K | 82.6 | Confident | 77.7 | Confident | 138 Ų | 138 | 56.1 Ų | 56.1 | 60% | 0.6 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.1 | -43.5 | 177.5 | -73.5 | 173.7 | -177.8 | 175.2 | 0 | 112.1 | E457 Q458 V459 N465 | E457-K461 WeakPolarHBondContact O-CG 3.33Å; E457-K461 PolarHBondContact O-N 2.98Å; Q458-K461 PolarHBondContact O-N 3.28Å; V459-K461 VanDerWaalsContact C-N 3.34Å; V459-K461 PolarHBondContact O-N 2.9Å; K461-N465 PolarHBondContact O-N 3.19Å |
| 462 | V | 82 | Confident | 77.3 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 39% | 0.394 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | I434 Q458 V459 I460 N465 L466 | I434-V462 HydrophobicContact CD1-CG1 4.13Å; Q458-V462 WeakPolarHBondContact O-CG2 3.47Å; Q458-V462 PolarHBondContact O-N 3.42Å; V459-V462 PolarHBondContact O-N 3.29Å; I460-V462 PolarHBondContact O-N 3.1Å; V462-N465 PolarHBondContact O-N 3.5Å; V462-L466 HydrophobicContact CG1-CD1 3.77Å; V462-L466 HydrophobicContact CG1-CG 4.32Å; V462-L466 WeakPolarHBondContact O-CG 3.33Å; V462-L466 PolarHBondContact O-N 3.47Å |
| 463 | L | 81.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 178.9 | -76.6 | 173.6 | 0 | 0 | 0 | 113.1 | I434 V459 I460 N465 L466 I467 L482 L484 F488 F517 | I434-L463 HydrophobicContact CD1-CD2 3.92Å; I434-L463 HydrophobicContact CD1-CG 4.33Å; I434-L463 HydrophobicContact CG2-CD1 4.25Å; I434-L463 HydrophobicContact CG2-CD2 4.25Å; I434-L463 HydrophobicContact CG2-CG 4.39Å; V459-L463 HydrophobicContact CG1-CD1 3.72Å; V459-L463 HydrophobicContact CG1-CG 4.26Å; V459-L463 WeakPolarHBondContact O-CB 3.29Å; V459-L463 WeakPolarHBondContact O-CG 3.48Å; V459-L463 PolarHBondContact O-N 3Å; I460-L463 PolarHBondContact O-N 3.11Å; L463-N465 VanDerWaalsContact C-N 3.26Å; L463-N465 PolarHBondContact O-N 2.93Å; L463-L466 PolarHBondContact O-N 3.5Å; L463-L466 VanDerWaalsContact O-N 3.14Å; L463-I467 HydrophobicContact CB-CD1 4.4Å; L463-I467 WeakPolarHBondContact O-CB 3.45Å; L463-I467 WeakPolarHBondContact O-CD1 3.33Å; L463-I467 WeakPolarHBondContact O-CG1 3.45Å; L463-I467 PolarHBondContact O-N 3.23Å; L463-L482 HydrophobicContact CD2-CD1 3.53Å; L463-L484 HydrophobicContact CD2-CD1 4.23Å; L463-F488 HydrophobicContact CD1-CE2 3.73Å; L463-F488 HydrophobicContact CD1-CZ 3.6Å; L463-F517 HydrophobicContact CB-CE2 3.62Å; L463-F517 HydrophobicContact CB-CZ 3.74Å; L463-F517 HydrophobicContact CD1-CE1 4.35Å; L463-F517 HydrophobicContact CD1-CZ 3.99Å; L463-F517 HydrophobicContact CG-CZ 4.4Å |
| 464 | R | 80.3 | Confident | 76.5 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -54.2 | -45.8 | 173.9 | -77.4 | -175.1 | -175.9 | 164 | 10 | 110.7 | I460 L466 V468 E513 F517 F520 | I460-R464 WeakPolarHBondContact O-CG 3.34Å; I460-R464 PolarHBondContact O-N 3.25Å; R464-L466 PolarHBondContact O-N 2.98Å; R464-V468 WeakPolarHBondContact O-CB 3.38Å; R464-V468 WeakPolarHBondContact O-CG2 3.42Å; R464-V468 PolarHBondContact O-N 3.41Å; R464-V468 VanDerWaalsContact O-N 3.14Å; R464-E513 IonicContact CZ-OE2 3.96Å; R464-E513 IonicContact NH1-OE2 3.41Å; R464-E513 PolarHBondContact NH1-OE2 3.36Å; R464-E513 IonicContact NH2-OE2 2.67Å; R464-E513 PolarHBondContact NH2-OE2 2.88Å; R464-F517 HydrophobicContact CG-CD2 3.88Å; R464-F517 HydrophobicContact CG-CE2 4.34Å; R464-F520 HydrophobicContact CG-CD1 4.4Å |
| 465 | N | 78.1 | Confident | 76.3 | Confident | 123 Ų | 123 | 62.3 Ų | 62.3 | 66% | 0.658 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.9 | -34.5 | 179.2 | -68.8 | -20.6 | 0 | 0 | 0 | 113.4 | K461 V462 L463 | K461-N465 PolarHBondContact O-N 3.19Å; V462-N465 PolarHBondContact O-N 3.5Å; L463-N465 VanDerWaalsContact C-N 3.26Å; L463-N465 PolarHBondContact O-N 2.93Å |
| 466 | L | 75.8 | Confident | 76.1 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.2 | -37.7 | 179 | -71.2 | 171.1 | 0 | 0 | 0 | 112.5 | Y427 I430 I434 V462 L463 R464 T469 | Y427-L466 HydrophobicContact CE1-CD2 4.15Å; I430-L466 HydrophobicContact CG2-CD1 4.12Å; I434-L466 HydrophobicContact CD1-CD1 3.88Å; V462-L466 HydrophobicContact CG1-CD1 3.77Å; V462-L466 HydrophobicContact CG1-CG 4.32Å; V462-L466 WeakPolarHBondContact O-CG 3.33Å; V462-L466 PolarHBondContact O-N 3.47Å; L463-L466 PolarHBondContact O-N 3.5Å; L463-L466 VanDerWaalsContact O-N 3.14Å; R464-L466 PolarHBondContact O-N 2.98Å; L466-T469 WeakPolarHBondContact O-CB 3.41Å; L466-T469 WeakPolarHBondContact O-CG2 3.28Å; L466-T469 PolarHBondContact O-N 2.75Å; L466-T469 PolarHBondContact O-OG1 2.89Å |
| 467 | I | 72.5 | Confident | 76 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -79.2 | -24.6 | -179.3 | -68.9 | 157.8 | 0 | 0 | 0 | 112.2 | L463 T469 L484 F517 F520 Y521 R524 | L463-I467 HydrophobicContact CB-CD1 4.4Å; L463-I467 WeakPolarHBondContact O-CB 3.45Å; L463-I467 WeakPolarHBondContact O-CD1 3.33Å; L463-I467 WeakPolarHBondContact O-CG1 3.45Å; L463-I467 PolarHBondContact O-N 3.23Å; I467-T469 PolarHBondContact O-N 3.11Å; I467-L484 HydrophobicContact CD1-CD1 4.03Å; I467-F517 HydrophobicContact CD1-CE2 3.6Å; I467-F517 HydrophobicContact CD1-CZ 3.36Å; I467-F520 HydrophobicContact CB-CE1 4.5Å; I467-F520 HydrophobicContact CG2-CE1 4.15Å; I467-Y521 HydrophobicContact CD1-CD2 3.99Å; I467-R524 HydrophobicContact CG2-CB 4.37Å; I467-R524 HydrophobicContact CG2-CG 4.13Å |
| 468 | V | 67.9 | Low | 75.8 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 53% | 0.527 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -7.8 | 172.1 | 171.8 | 0 | 0 | 0 | 0 | 112.6 | R464 F520 | R464-V468 WeakPolarHBondContact O-CB 3.38Å; R464-V468 WeakPolarHBondContact O-CG2 3.42Å; R464-V468 PolarHBondContact O-N 3.41Å; R464-V468 VanDerWaalsContact O-N 3.14Å; V468-F520 HydrophobicContact CG2-CE1 4.06Å; V468-F520 HydrophobicContact CG2-CE2 4.4Å; V468-F520 HydrophobicContact CG2-CZ 3.43Å; V468-F520 VanDerWaalsContact CG2-CZ 3.43Å |
| 469 | T | 68.2 | Low | 75.8 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | trans | -58.1 | 139.5 | -179.3 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | L466 I467 D471 R524 | L466-T469 WeakPolarHBondContact O-CB 3.41Å; L466-T469 WeakPolarHBondContact O-CG2 3.28Å; L466-T469 PolarHBondContact O-N 2.75Å; L466-T469 PolarHBondContact O-OG1 2.89Å; I467-T469 PolarHBondContact O-N 3.11Å; T469-D471 PolarHBondContact O-N 2.73Å; T469-R524 PolarHBondContact O-NH2 3.1Å | ||
| 470 | P | 59.9 | Low | 75.7 | Confident | 126 Ų | 126 | 67.7 Ų | 67.7 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -69.6 | -11.8 | -177.1 | 25.4 | -32.8 | 0 | 0 | 0 | 113.3 | L472 | P470-L472 PolarHBondContact O-N 3.38Š|
| 471 | D | 71.4 | Confident | 75.6 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | trans | -89.7 | 99.9 | 179.8 | -171 | -25.9 | 0 | 0 | 0 | 110.4 | T469 E473 K474 S475 | T469-D471 PolarHBondContact O-N 2.73Å; D471-E473 VanDerWaalsContact C-N 3.32Å; D471-E473 PolarHBondContact O-N 3.13Å; D471-E473 PolarHBondContact OD1-N 2.92Å; D471-K474 HydrophobicContact CB-CB 4.15Å; D471-K474 HydrophobicContact CB-CD 4.14Å; D471-K474 HydrophobicContact CB-CG 4.24Å; D471-K474 PolarHBondContact O-N 3.05Å; D471-K474 PolarHBondContact OD1-N 3.45Å; D471-K474 VanDerWaalsContact OD2-CD 3.23Å; D471-K474 WeakPolarHBondContact OD2-CD 3.17Å; D471-K474 VanDerWaalsContact OD2-CE 3.25Å; D471-K474 WeakPolarHBondContact OD2-CE 3.36Å; D471-K474 WeakPolarHBondContact OD2-CG 3.46Å; D471-K474 IonicContact OD2-NZ 3.97Å; D471-K474 PolarHBondContact OD2-NZ 3.03Å; D471-S475 PolarHBondContact O-N 2.9Å; D471-S475 VanDerWaalsContact O-N 3.12Å | ||
| 472 | L | 67.4 | Low | 75.6 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | -175.7 | -132.8 | 84 | 0 | 0 | 0 | 112.1 | P470 K474 S475 H476 | P470-L472 PolarHBondContact O-N 3.38Å; L472-K474 PolarHBondContact O-N 3.09Å; L472-S475 PolarHBondContact O-N 3.09Å; L472-H476 PolarHBondContact O-CD2 2.86Å; L472-H476 PolarHBondContact O-N 3.36Å |
| 473 | E | 70.4 | Confident | 75.7 | Confident | 161 Ų | 161 | 68 Ų | 68 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | -179.5 | -67.5 | -175.3 | 171.5 | 0 | 0 | 111.3 | D471 H476 H477 | D471-E473 VanDerWaalsContact C-N 3.32Å; D471-E473 PolarHBondContact O-N 3.13Å; D471-E473 PolarHBondContact OD1-N 2.92Å; E473-H476 PolarHBondContact O-N 3.18Å; E473-H477 WeakPolarHBondContact O-CB 3.49Å; E473-H477 PolarHBondContact O-N 3.24Å |
| 474 | K | 72.3 | Confident | 75.8 | Confident | 108 Ų | 108 | 68.3 Ų | 68.3 | 47% | 0.47 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 174.8 | -71.1 | -175.4 | -177.5 | 119.8 | 0 | 112.1 | D471 L472 H477 I478 | D471-K474 HydrophobicContact CB-CB 4.15Å; D471-K474 HydrophobicContact CB-CD 4.14Å; D471-K474 HydrophobicContact CB-CG 4.24Å; D471-K474 PolarHBondContact O-N 3.05Å; D471-K474 PolarHBondContact OD1-N 3.45Å; D471-K474 VanDerWaalsContact OD2-CD 3.23Å; D471-K474 WeakPolarHBondContact OD2-CD 3.17Å; D471-K474 VanDerWaalsContact OD2-CE 3.25Å; D471-K474 WeakPolarHBondContact OD2-CE 3.36Å; D471-K474 WeakPolarHBondContact OD2-CG 3.46Å; D471-K474 IonicContact OD2-NZ 3.97Å; D471-K474 PolarHBondContact OD2-NZ 3.03Å; L472-K474 PolarHBondContact O-N 3.09Å; K474-H477 PolarHBondContact O-N 3.39Å; K474-I478 WeakPolarHBondContact O-CD1 3.2Å; K474-I478 VanDerWaalsContact O-CG1 3.25Å; K474-I478 WeakPolarHBondContact O-CG1 3.23Å; K474-I478 PolarHBondContact O-N 3.41Å |
| 475 | S | 75.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.4 | -164 | 0 | 0 | 0 | 0 | 111.5 | D471 L472 I478 S479 H525 | D471-S475 PolarHBondContact O-N 2.9Å; D471-S475 VanDerWaalsContact O-N 3.12Å; L472-S475 PolarHBondContact O-N 3.09Å; S475-I478 PolarHBondContact O-N 3.26Å; S475-S479 VanDerWaalsContact O-CB 3.3Å; S475-S479 WeakPolarHBondContact O-CB 2.9Å; S475-S479 PolarHBondContact O-N 2.71Å; S475-S479 PolarHBondContact O-OG 2.93Å; S475-H525 PolarHBondContact OG-CE1 2.89Å; S475-H525 PolarHBondContact OG-NE2 2.86Å |
| 476 | H | 76.8 | Confident | 76.3 | Confident | 97 Ų | 97 | 62 Ų | 62 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 175 | -83.3 | -73.2 | 0 | 0 | 0 | 112.4 | L472 E473 S479 H480 H525 | L472-H476 PolarHBondContact O-CD2 2.86Å; L472-H476 PolarHBondContact O-N 3.36Å; E473-H476 PolarHBondContact O-N 3.18Å; H476-S479 PolarHBondContact O-N 2.81Å; H476-H480 WeakPolarHBondContact O-CB 3.35Å; H476-H480 PolarHBondContact O-N 2.98Å; H476-H525 AromaticContact CE1-CE1 3.99Å; H476-H525 AromaticContact CE1-ND1 3.3Å; H476-H525 PolarHBondContact CE1-ND1 3.07Å; H476-H525 VanDerWaalsContact CE1-ND1 3.3Å; H476-H525 AromaticContact ND1-ND1 3.71Å; H476-H525 AromaticContact NE2-CE1 3.91Å; H476-H525 AromaticContact NE2-ND1 3.46Å; H476-H525 PolarHBondContact NE2-ND1 3.15Å |
| 477 | H | 79.4 | Confident | 76.8 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 177.3 | -177.1 | 56.7 | 0 | 0 | 0 | 112.4 | E473 K474 S479 H480 E481 | E473-H477 WeakPolarHBondContact O-CB 3.49Å; E473-H477 PolarHBondContact O-N 3.24Å; K474-H477 PolarHBondContact O-N 3.39Å; H477-S479 VanDerWaalsContact C-N 3.3Å; H477-S479 PolarHBondContact O-N 3.11Å; H477-H480 PolarHBondContact O-N 3.38Å; H477-E481 IonicContact CE1-OE1 3.36Å; H477-E481 WeakPolarHBondContact O-CG 3.43Å; H477-E481 PolarHBondContact O-N 2.86Å |
| 478 | I | 79.8 | Confident | 77.6 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.1 | -68.3 | 165.1 | 0 | 0 | 0 | 110.5 | Y427 I431 K474 S475 L482 | Y427-I478 HydrophobicContact CD1-CD1 4.11Å; Y427-I478 HydrophobicContact CE1-CD1 4.36Å; I431-I478 HydrophobicContact CD1-CG1 4.2Å; K474-I478 WeakPolarHBondContact O-CD1 3.2Å; K474-I478 VanDerWaalsContact O-CG1 3.25Å; K474-I478 WeakPolarHBondContact O-CG1 3.23Å; K474-I478 PolarHBondContact O-N 3.41Å; S475-I478 PolarHBondContact O-N 3.26Å; I478-L482 HydrophobicContact CG2-CD1 3.77Å; I478-L482 WeakPolarHBondContact O-CB 3.41Å; I478-L482 VanDerWaalsContact O-CG 3.3Å; I478-L482 WeakPolarHBondContact O-CG 3.48Å; I478-L482 PolarHBondContact O-N 3.44Å; I478-L482 VanDerWaalsContact O-N 3.1Å |
| 479 | S | 81.9 | Confident | 78.6 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | -178.9 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | S475 H476 H477 L482 K483 L484 Y521 | S475-S479 VanDerWaalsContact O-CB 3.3Å; S475-S479 WeakPolarHBondContact O-CB 2.9Å; S475-S479 PolarHBondContact O-N 2.71Å; S475-S479 PolarHBondContact O-OG 2.93Å; H476-S479 PolarHBondContact O-N 2.81Å; H477-S479 VanDerWaalsContact C-N 3.3Å; H477-S479 PolarHBondContact O-N 3.11Å; S479-L482 PolarHBondContact O-N 3.35Å; S479-K483 PolarHBondContact O-N 2.93Å; S479-L484 PolarHBondContact O-N 2.82Å; S479-Y521 WeakPolarHBondContact CB-OH 3.38Å; S479-Y521 WeakPolarHBondContact OG-CE2 3.5Å |
| 480 | H | 82 | Confident | 79.5 | Confident | 142 Ų | 142 | 58.9 Ų | 58.9 | 66% | 0.657 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.1 | -48.1 | 175.4 | -178.6 | -88.3 | 0 | 0 | 0 | 112 | H476 H477 L482 K483 | H476-H480 WeakPolarHBondContact O-CB 3.35Å; H476-H480 PolarHBondContact O-N 2.98Å; H477-H480 PolarHBondContact O-N 3.38Å; H480-L482 VanDerWaalsContact C-N 3.3Å; H480-L482 PolarHBondContact O-N 3.09Å; H480-K483 PolarHBondContact O-N 3.42Å; H480-K483 VanDerWaalsContact O-N 3.13Å |
| 481 | E | 81.8 | Confident | 80.8 | Confident | 75 Ų | 75 | 52.9 Ų | 52.9 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -33.6 | -179.9 | -73 | -59.5 | 133.4 | 0 | 0 | 113.5 | I431 H477 | I431-E481 HydrophobicContact CD1-CB 4.24Å; I431-E481 HydrophobicContact CD1-CG 4.48Å; I431-E481 HydrophobicContact CG2-CB 3.83Å; H477-E481 IonicContact CE1-OE1 3.36Å; H477-E481 WeakPolarHBondContact O-CG 3.43Å; H477-E481 PolarHBondContact O-N 2.86Å |
| 482 | L | 82.3 | Confident | 81.7 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.4 | 176.9 | -68.2 | 177 | 0 | 0 | 0 | 114 | I431 I434 K435 L463 I478 S479 H480 L484 S487 | I431-L482 HydrophobicContact CB-CD2 4.48Å; I431-L482 HydrophobicContact CG2-CD2 3.85Å; I431-L482 HydrophobicContact CG2-CG 4.2Å; I434-L482 HydrophobicContact CB-CD2 4.04Å; I434-L482 HydrophobicContact CG2-CD1 4.02Å; I434-L482 HydrophobicContact CG2-CD2 3.72Å; K435-L482 HydrophobicContact CB-CD2 4.18Å; L463-L482 HydrophobicContact CD2-CD1 3.53Å; I478-L482 HydrophobicContact CG2-CD1 3.77Å; I478-L482 WeakPolarHBondContact O-CB 3.41Å; I478-L482 VanDerWaalsContact O-CG 3.3Å; I478-L482 WeakPolarHBondContact O-CG 3.48Å; I478-L482 PolarHBondContact O-N 3.44Å; I478-L482 VanDerWaalsContact O-N 3.1Å; S479-L482 PolarHBondContact O-N 3.35Å; H480-L482 VanDerWaalsContact C-N 3.3Å; H480-L482 PolarHBondContact O-N 3.09Å; L482-L484 VanDerWaalsContact C-N 3.29Å; L482-L484 HydrophobicContact CB-CD1 4.25Å; L482-L484 HydrophobicContact CB-CG 3.87Å; L482-L484 HydrophobicContact CD1-CD1 4.17Å; L482-L484 PolarHBondContact O-N 3.31Å; L482-S487 PolarHBondContact O-OG 3.37Å |
| 483 | K | 83.3 | Confident | 82.8 | Confident | 130 Ų | 130 | 50.3 Ų | 50.3 | 57% | 0.565 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 45 | -173.3 | -55.5 | -177.2 | 175.5 | -172.4 | 0 | 112.5 | S479 H480 Q486 S487 | S479-K483 PolarHBondContact O-N 2.93Å; H480-K483 PolarHBondContact O-N 3.42Å; H480-K483 VanDerWaalsContact O-N 3.13Å; K483-Q486 WeakPolarHBondContact O-CB 3.14Å; K483-Q486 PolarHBondContact O-N 3.31Å; K483-Q486 VanDerWaalsContact O-N 3.14Å; K483-S487 PolarHBondContact O-N 3.47Å; K483-S487 PolarHBondContact O-OG 2.96Å |
| 484 | L | 84.3 | Confident | 83.6 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 144.1 | 175.4 | -65.9 | 177.9 | 0 | 0 | 0 | 110.6 | L463 I467 S479 L482 F488 F517 Y521 | L463-L484 HydrophobicContact CD2-CD1 4.23Å; I467-L484 HydrophobicContact CD1-CD1 4.03Å; S479-L484 PolarHBondContact O-N 2.82Å; L482-L484 VanDerWaalsContact C-N 3.29Å; L482-L484 HydrophobicContact CB-CD1 4.25Å; L482-L484 HydrophobicContact CB-CG 3.87Å; L482-L484 HydrophobicContact CD1-CD1 4.17Å; L482-L484 PolarHBondContact O-N 3.31Å; L484-F488 HydrophobicContact CD2-CD2 3.31Å; L484-F488 HydrophobicContact CD2-CE2 3.49Å; L484-F488 VanDerWaalsContact CD2-CE2 3.49Å; L484-F488 HydrophobicContact CD2-CG 4.43Å; L484-F517 HydrophobicContact CD1-CE1 4.48Å; L484-F517 HydrophobicContact CD1-CZ 4.22Å; L484-F517 HydrophobicContact CD2-CE1 4.22Å; L484-Y521 HydrophobicContact CB-CE2 3.96Å; L484-Y521 HydrophobicContact CD1-CE2 4.49Å; L484-Y521 PolarHBondContact O-OH 3.4Å |
| 485 | P | 83.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88 | 1.2 | -3.3 | 36.1 | -29.2 | 0 | 0 | 0 | 113.6 | S487 F488 F489 Y521 W528 | P485-S487 VanDerWaalsContact C-N 3.32Å; P485-S487 PolarHBondContact O-N 3.29Å; P485-F488 WeakPolarHBondContact O-CA 3.38Å; P485-F488 WeakPolarHBondContact O-CB 3.4Å; P485-F488 PolarHBondContact O-N 2.97Å; P485-F489 HydrophobicContact CB-CD2 4.23Å; P485-F489 HydrophobicContact CB-CE2 4.07Å; P485-F489 HydrophobicContact CG-CD2 4.27Å; P485-F489 HydrophobicContact CG-CE2 3.92Å; P485-F489 PolarHBondContact O-N 3.44Å; P485-F489 VanDerWaalsContact O-N 3.13Å; P485-Y521 HydrophobicContact CB-CD1 3.9Å; P485-Y521 HydrophobicContact CB-CE1 4.08Å; P485-Y521 HydrophobicContact CG-CD1 4.02Å; P485-Y521 HydrophobicContact CG-CE1 3.86Å; P485-W528 VanDerWaalsContact CD-CZ2 3.41Å; P485-W528 HydrophobicContact CG-CD2 3.65Å; P485-W528 HydrophobicContact CG-CE3 3.58Å; P485-W528 HydrophobicContact CG-CH2 3.49Å; P485-W528 VanDerWaalsContact CG-CH2 3.49Å; P485-W528 HydrophobicContact CG-CZ2 3.57Å; P485-W528 HydrophobicContact CG-CZ3 3.5Å |
| 486 | Q | 86.1 | Confident | 84.9 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 29% | 0.285 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -50.3 | -47.5 | -175.9 | -179.2 | 174.6 | 45.2 | 0 | 0 | 112.9 | K483 F488 F489 E490 F538 | K483-Q486 WeakPolarHBondContact O-CB 3.14Å; K483-Q486 PolarHBondContact O-N 3.31Å; K483-Q486 VanDerWaalsContact O-N 3.14Å; Q486-F488 PolarHBondContact O-N 3.34Å; Q486-F489 PolarHBondContact O-N 3.49Å; Q486-F489 VanDerWaalsContact O-N 3.11Å; Q486-E490 WeakPolarHBondContact O-CG 3.38Å; Q486-E490 PolarHBondContact O-N 3.06Å; Q486-F538 HydrophobicContact CB-CZ 4.42Å; Q486-F538 HydrophobicContact CG-CE1 4.36Å; Q486-F538 HydrophobicContact CG-CZ 3.97Å |
| 487 | S | 86.4 | Confident | 85.3 | Confident | 17 Ų | 17 | 39 Ų | 39 | 12% | 0.119 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -30.8 | 178.7 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | L482 K483 P485 L491 | L482-S487 PolarHBondContact O-OG 3.37Å; K483-S487 PolarHBondContact O-N 3.47Å; K483-S487 PolarHBondContact O-OG 2.96Å; P485-S487 VanDerWaalsContact C-N 3.32Å; P485-S487 PolarHBondContact O-N 3.29Å; S487-L491 WeakPolarHBondContact O-CG 3.41Å; S487-L491 PolarHBondContact O-N 3.11Å |
| 488 | F | 88.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -79.3 | -33.8 | 176.5 | -84.9 | -108.5 | 0 | 0 | 0 | 112.5 | I438 I460 L463 L484 P485 Q486 E490 L491 I492 I514 F517 I518 | I438-F488 HydrophobicContact CD1-CE2 3.82Å; I438-F488 HydrophobicContact CD1-CZ 4.46Å; I460-F488 HydrophobicContact CD1-CE1 4.38Å; I460-F488 HydrophobicContact CG1-CE1 3.83Å; I460-F488 HydrophobicContact CG1-CZ 4.27Å; L463-F488 HydrophobicContact CD1-CE2 3.73Å; L463-F488 HydrophobicContact CD1-CZ 3.6Å; L484-F488 HydrophobicContact CD2-CD2 3.31Å; L484-F488 HydrophobicContact CD2-CE2 3.49Å; L484-F488 VanDerWaalsContact CD2-CE2 3.49Å; L484-F488 HydrophobicContact CD2-CG 4.43Å; P485-F488 WeakPolarHBondContact O-CA 3.38Å; P485-F488 WeakPolarHBondContact O-CB 3.4Å; P485-F488 PolarHBondContact O-N 2.97Å; Q486-F488 PolarHBondContact O-N 3.34Å; F488-E490 VanDerWaalsContact C-N 3.35Å; F488-L491 WeakPolarHBondContact O-CB 3.33Å; F488-L491 PolarHBondContact O-N 3.35Å; F488-I492 WeakPolarHBondContact O-CG1 3.43Å; F488-I492 PolarHBondContact O-N 3.3Å; F488-I514 HydrophobicContact CB-CG2 4.47Å; F488-I514 HydrophobicContact CD1-CB 4.41Å; F488-I514 HydrophobicContact CD1-CG1 4.5Å; F488-I514 HydrophobicContact CD1-CG2 3.73Å; F488-I514 HydrophobicContact CE1-CG1 4.49Å; F488-I514 HydrophobicContact CE1-CG2 4.5Å; F488-F517 AromaticContact CD1-CD1 3.63Å; F488-F517 HydrophobicContact CD1-CD1 3.63Å; F488-F517 HydrophobicContact CD1-CE1 4.14Å; F488-F517 HydrophobicContact CD2-CD1 4.43Å; F488-F517 HydrophobicContact CD2-CE1 4.13Å; F488-F517 AromaticContact CE1-CD1 3.67Å; F488-F517 HydrophobicContact CE1-CD1 3.67Å; F488-F517 HydrophobicContact CE1-CE1 4.07Å; F488-F517 HydrophobicContact CE1-CG 4.39Å; F488-F517 HydrophobicContact CE2-CD1 4.41Å; F488-F517 AromaticContact CE2-CE1 3.99Å; F488-F517 HydrophobicContact CE2-CE1 3.99Å; F488-F517 HydrophobicContact CG-CD1 4.07Å; F488-F517 HydrophobicContact CG-CE1 4.21Å; F488-F517 HydrophobicContact CZ-CD1 4.07Å; F488-F517 AromaticContact CZ-CE1 3.98Å; F488-F517 HydrophobicContact CZ-CE1 3.98Å; F488-I518 HydrophobicContact CB-CD1 4.09Å; F488-I518 HydrophobicContact CB-CG1 4.09Å |
| 489 | F | 88.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 171.3 | -78.5 | -66.9 | 0 | 0 | 0 | 112.3 | P485 Q486 L491 I492 R493 I518 W528 F538 L542 V561 F565 | P485-F489 HydrophobicContact CB-CD2 4.23Å; P485-F489 HydrophobicContact CB-CE2 4.07Å; P485-F489 HydrophobicContact CG-CD2 4.27Å; P485-F489 HydrophobicContact CG-CE2 3.92Å; P485-F489 PolarHBondContact O-N 3.44Å; P485-F489 VanDerWaalsContact O-N 3.13Å; Q486-F489 PolarHBondContact O-N 3.49Å; Q486-F489 VanDerWaalsContact O-N 3.11Å; F489-L491 VanDerWaalsContact C-N 3.34Å; F489-I492 HydrophobicContact CD1-CD1 4.39Å; F489-I492 PolarHBondContact O-N 3.49Å; F489-R493 PolarHBondContact O-N 3.34Å; F489-I518 HydrophobicContact CD1-CD1 3.87Å; F489-I518 HydrophobicContact CD2-CD1 4.32Å; F489-I518 HydrophobicContact CE1-CD1 3.79Å; F489-I518 HydrophobicContact CE1-CG2 4.25Å; F489-I518 HydrophobicContact CE2-CD1 4.25Å; F489-I518 HydrophobicContact CE2-CG2 4.08Å; F489-I518 HydrophobicContact CG-CD1 4.14Å; F489-I518 HydrophobicContact CZ-CD1 3.99Å; F489-I518 HydrophobicContact CZ-CG2 3.62Å; F489-W528 HydrophobicContact CD2-CH2 4.47Å; F489-W528 HydrophobicContact CE2-CH2 4.05Å; F489-W528 HydrophobicContact CE2-CZ3 4.25Å; F489-F538 HydrophobicContact CB-CB 4.39Å; F489-F538 HydrophobicContact CB-CD1 3.36Å; F489-F538 HydrophobicContact CB-CE1 3.75Å; F489-F538 HydrophobicContact CB-CG 3.95Å; F489-F538 HydrophobicContact CD1-CB 3.79Å; F489-F538 HydrophobicContact CD1-CD1 4.36Å; F489-F538 HydrophobicContact CD1-CG 4.17Å; F489-F538 HydrophobicContact CD2-CB 4.38Å; F489-F538 HydrophobicContact CD2-CD1 4.2Å; F489-F538 HydrophobicContact CD2-CD2 4.17Å; F489-F538 AromaticContact CD2-CG 4Å; F489-F538 HydrophobicContact CD2-CG 4Å; F489-F538 HydrophobicContact CE1-CB 4.08Å; F489-F538 HydrophobicContact CG-CB 3.95Å; F489-F538 AromaticContact CG-CD1 3.76Å; F489-F538 HydrophobicContact CG-CD1 3.76Å; F489-F538 HydrophobicContact CG-CD2 4.43Å; F489-F538 HydrophobicContact CG-CE1 4.37Å; F489-F538 AromaticContact CG-CG 3.79Å; F489-F538 HydrophobicContact CG-CG 3.79Å; F489-L542 HydrophobicContact CE1-CD1 4.19Å; F489-V561 HydrophobicContact CE1-CG1 4.12Å; F489-V561 HydrophobicContact CZ-CG1 4.16Å; F489-F565 HydrophobicContact CE1-CE2 4.18Å; F489-F565 AromaticContact CE1-CZ 3.97Å; F489-F565 HydrophobicContact CE1-CZ 3.97Å; F489-F565 HydrophobicContact CE2-CZ 4.26Å; F489-F565 HydrophobicContact CZ-CE2 4.16Å; F489-F565 AromaticContact CZ-CZ 3.53Å; F489-F565 HydrophobicContact CZ-CZ 3.53Å |
| 490 | E | 86.4 | Confident | 85.5 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 28% | 0.28 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 172.8 | -63.2 | -157.3 | 123.4 | 0 | 0 | 111.7 | Q486 F488 I492 R493 D494 | Q486-E490 WeakPolarHBondContact O-CG 3.38Å; Q486-E490 PolarHBondContact O-N 3.06Å; F488-E490 VanDerWaalsContact C-N 3.35Å; E490-I492 VanDerWaalsContact C-N 3.31Å; E490-I492 PolarHBondContact O-N 3.49Å; E490-R493 WeakPolarHBondContact O-CB 3.34Å; E490-R493 PolarHBondContact O-N 3.26Å; E490-R493 IonicContact OE1-CZ 2.66Å; E490-R493 IonicContact OE1-NH1 3.7Å; E490-R493 IonicContact OE1-NH2 3.84Å; E490-R493 PolarHBondContact OE1-NH2 2.92Å; E490-D494 WeakPolarHBondContact O-CB 3.39Å; E490-D494 PolarHBondContact O-N 3.42Å |
| 491 | L | 88.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -40 | 173.8 | -73.7 | 179.3 | 0 | 0 | 0 | 112.4 | I438 F441 Q442 L445 I456 S487 F488 F489 S495 | I438-L491 HydrophobicContact CG2-CD1 4.16Å; F441-L491 HydrophobicContact CD1-CD1 4.41Å; F441-L491 HydrophobicContact CD1-CD2 3.77Å; F441-L491 HydrophobicContact CE1-CD2 4.38Å; Q442-L491 HydrophobicContact CB-CD2 3.98Å; Q442-L491 HydrophobicContact CG-CD2 4.37Å; L445-L491 HydrophobicContact CD1-CD2 4.04Å; I456-L491 HydrophobicContact CD1-CD1 3.93Å; S487-L491 WeakPolarHBondContact O-CG 3.41Å; S487-L491 PolarHBondContact O-N 3.11Å; F488-L491 WeakPolarHBondContact O-CB 3.33Å; F488-L491 PolarHBondContact O-N 3.35Å; F489-L491 VanDerWaalsContact C-N 3.34Å; L491-S495 WeakPolarHBondContact O-CB 3.48Å; L491-S495 PolarHBondContact O-N 3.34Å; L491-S495 PolarHBondContact O-OG 2.85Å |
| 492 | I | 89.6 | Confident | 85.7 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -48.8 | 175.7 | -67.7 | 168.6 | 0 | 0 | 0 | 110 | F488 F489 E490 D494 S495 V496 L511 I514 I515 I518 P541 L542 I545 | F488-I492 WeakPolarHBondContact O-CG1 3.43Å; F488-I492 PolarHBondContact O-N 3.3Å; F489-I492 HydrophobicContact CD1-CD1 4.39Å; F489-I492 PolarHBondContact O-N 3.49Å; E490-I492 VanDerWaalsContact C-N 3.31Å; E490-I492 PolarHBondContact O-N 3.49Å; I492-D494 VanDerWaalsContact C-N 3.35Å; I492-D494 PolarHBondContact O-N 2.94Å; I492-S495 PolarHBondContact O-N 2.95Å; I492-V496 HydrophobicContact CG2-CG2 4.12Å; I492-V496 WeakPolarHBondContact O-CB 3.37Å; I492-V496 VanDerWaalsContact O-CG2 3.23Å; I492-V496 WeakPolarHBondContact O-CG2 3.35Å; I492-V496 PolarHBondContact O-N 3.42Å; I492-L511 HydrophobicContact CB-CD1 4.34Å; I492-L511 HydrophobicContact CG1-CD1 3.98Å; I492-L511 HydrophobicContact CG2-CD1 4.33Å; I492-I514 HydrophobicContact CD1-CG2 4Å; I492-I514 HydrophobicContact CG1-CG2 3.61Å; I492-I515 HydrophobicContact CD1-CG1 3.78Å; I492-I515 HydrophobicContact CG1-CG1 4.33Å; I492-I518 HydrophobicContact CD1-CD1 3.36Å; I492-P541 HydrophobicContact CG2-CB 3.85Å; I492-L542 HydrophobicContact CG2-CD2 4.41Å; I492-I545 HydrophobicContact CG2-CD1 4.07Å |
| 493 | R | 89.5 | Confident | 85.6 | Confident | 81 Ų | 81 | 42.3 Ų | 42.3 | 31% | 0.306 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.4 | -49.3 | 177.8 | -179.4 | -176.4 | 63.4 | -150.7 | -5.2 | 111.9 | F489 E490 S495 S497 P541 | F489-R493 PolarHBondContact O-N 3.34Å; E490-R493 WeakPolarHBondContact O-CB 3.34Å; E490-R493 PolarHBondContact O-N 3.26Å; E490-R493 IonicContact OE1-CZ 2.66Å; E490-R493 IonicContact OE1-NH1 3.7Å; E490-R493 IonicContact OE1-NH2 3.84Å; E490-R493 PolarHBondContact OE1-NH2 2.92Å; R493-S495 VanDerWaalsContact C-N 3.34Å; R493-S497 WeakPolarHBondContact O-CB 3.48Å; R493-S497 PolarHBondContact O-N 3.43Å; R493-S497 PolarHBondContact O-OG 3.39Å; R493-P541 HydrophobicContact CB-CB 4.28Å; R493-P541 HydrophobicContact CB-CG 3.66Å; R493-P541 HydrophobicContact CG-CG 4.01Å |
| 494 | D | 87.7 | Confident | 85.6 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.4 | -35.8 | -176.6 | -61.5 | -11 | 0 | 0 | 0 | 110.6 | Q442 L445 E490 I492 N498 | Q442-D494 VanDerWaalsContact CG-OD2 3.32Å; Q442-D494 WeakPolarHBondContact CG-OD2 3.16Å; Q442-D494 PolarHBondContact NE2-OD2 2.96Å; L445-D494 HydrophobicContact CB-CB 4.4Å; L445-D494 HydrophobicContact CD1-CB 4.22Å; E490-D494 WeakPolarHBondContact O-CB 3.39Å; E490-D494 PolarHBondContact O-N 3.42Å; I492-D494 VanDerWaalsContact C-N 3.35Å; I492-D494 PolarHBondContact O-N 2.94Å; D494-N498 PolarHBondContact O-N 2.85Å |
| 495 | S | 87.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.2 | -42.7 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 113 | L445 L491 I492 R493 S497 N498 | L445-S495 WeakPolarHBondContact CD1-OG 3.28Å; L491-S495 WeakPolarHBondContact O-CB 3.48Å; L491-S495 PolarHBondContact O-N 3.34Å; L491-S495 PolarHBondContact O-OG 2.85Å; I492-S495 PolarHBondContact O-N 2.95Å; R493-S495 VanDerWaalsContact C-N 3.34Å; S495-S497 VanDerWaalsContact C-N 3.3Å; S495-N498 PolarHBondContact O-N 3.02Å |
| 496 | V | 87.3 | Confident | 85.3 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.4 | -26.9 | 178.8 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | I492 N498 I502 L511 T544 I545 L551 | I492-V496 HydrophobicContact CG2-CG2 4.12Å; I492-V496 WeakPolarHBondContact O-CB 3.37Å; I492-V496 VanDerWaalsContact O-CG2 3.23Å; I492-V496 WeakPolarHBondContact O-CG2 3.35Å; I492-V496 PolarHBondContact O-N 3.42Å; V496-N498 VanDerWaalsContact C-N 3.34Å; V496-I502 WeakPolarHBondContact O-CD1 3.4Å; V496-L511 HydrophobicContact CG2-CD2 4.02Å; V496-T544 HydrophobicContact CG1-CG2 3.48Å; V496-T544 VanDerWaalsContact CG1-CG2 3.48Å; V496-I545 HydrophobicContact CG2-CD1 3.78Å; V496-I545 HydrophobicContact CG2-CG1 3.67Å; V496-L551 HydrophobicContact CG1-CD1 4.44Å; V496-L551 HydrophobicContact CG2-CD1 4.43Å |
| 497 | S | 86.3 | Confident | 85.3 | Confident | 94 Ų | 94 | 51.8 Ų | 51.8 | 66% | 0.657 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -78.4 | -17 | 176.7 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | R493 S495 | R493-S497 WeakPolarHBondContact O-CB 3.48Å; R493-S497 PolarHBondContact O-N 3.43Å; R493-S497 PolarHBondContact O-OG 3.39Å; S495-S497 VanDerWaalsContact C-N 3.3Å |
| 498 | N | 85.6 | Confident | 85.2 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 16% | 0.16 | 26% | 0.255 | C | S | . | . | trans | -94.3 | 104.2 | -177.6 | -172.8 | -36.1 | 0 | 0 | 0 | 111.5 | L445 D494 S495 V496 D500 F501 I502 | L445-N498 PolarHBondContact O-ND2 2.83Å; D494-N498 PolarHBondContact O-N 2.85Å; S495-N498 PolarHBondContact O-N 3.02Å; V496-N498 VanDerWaalsContact C-N 3.34Å; N498-D500 VanDerWaalsContact C-N 3.28Å; N498-D500 PolarHBondContact O-N 3.03Å; N498-D500 PolarHBondContact OD1-N 3.14Å; N498-F501 HydrophobicContact CB-CB 3.91Å; N498-F501 WeakPolarHBondContact O-CB 3.48Å; N498-F501 PolarHBondContact O-N 3.4Å; N498-F501 PolarHBondContact OD1-N 3.36Å; N498-I502 PolarHBondContact O-N 3Å | ||
| 499 | T | 80.5 | Confident | 85 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 60% | 0.601 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.5 | -26.7 | -178.2 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | K503 | T499-K503 WeakPolarHBondContact O-CG 3.4Å |
| 500 | D | 79.7 | Confident | 84.9 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 54% | 0.535 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -79.9 | -30.5 | 178.7 | -68.9 | -32 | 0 | 0 | 0 | 111.4 | N498 K503 | N498-D500 VanDerWaalsContact C-N 3.28Å; N498-D500 PolarHBondContact O-N 3.03Å; N498-D500 PolarHBondContact OD1-N 3.14Å; D500-K503 IonicContact OD1-NZ 2.73Å; D500-K503 PolarHBondContact OD1-NZ 3.49Å |
| 501 | F | 83.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 172.7 | -176.2 | -100.8 | 0 | 0 | 0 | 111.9 | F441 L445 I451 N498 K503 E504 N507 L511 | F441-F501 HydrophobicContact CZ-CE2 4.13Å; F441-F501 HydrophobicContact CZ-CZ 4.37Å; L445-F501 HydrophobicContact CD2-CD2 3.74Å; L445-F501 HydrophobicContact CD2-CE2 3.96Å; L445-F501 HydrophobicContact CD2-CG 4.05Å; L445-F501 HydrophobicContact CD2-CZ 4.46Å; I451-F501 HydrophobicContact CD1-CB 4.18Å; I451-F501 HydrophobicContact CD1-CD2 3.67Å; I451-F501 HydrophobicContact CD1-CG 4.4Å; I451-F501 HydrophobicContact CG2-CD2 4.1Å; I451-F501 HydrophobicContact CG2-CE2 4Å; N498-F501 HydrophobicContact CB-CB 3.91Å; N498-F501 WeakPolarHBondContact O-CB 3.48Å; N498-F501 PolarHBondContact O-N 3.4Å; N498-F501 PolarHBondContact OD1-N 3.36Å; F501-K503 VanDerWaalsContact C-N 3.31Å; F501-K503 PolarHBondContact O-N 3.09Å; F501-E504 PolarHBondContact O-N 3.25Å; F501-N507 HydrophobicContact CD1-CB 4.06Å; F501-N507 HydrophobicContact CD2-CB 3.8Å; F501-N507 HydrophobicContact CE1-CB 3.83Å; F501-N507 HydrophobicContact CE2-CB 3.59Å; F501-N507 HydrophobicContact CG-CB 4.06Å; F501-N507 HydrophobicContact CZ-CB 3.61Å; F501-N507 WeakPolarHBondContact O-CB 3.3Å; F501-N507 PolarHBondContact O-ND2 3.16Å; F501-L511 HydrophobicContact CE1-CB 4.47Å |
| 502 | I | 83.1 | Confident | 84.9 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.6 | -26.5 | -176.1 | -64.6 | 166.5 | 0 | 0 | 0 | 113 | V496 N498 E504 D550 L551 | V496-I502 WeakPolarHBondContact O-CD1 3.4Å; N498-I502 PolarHBondContact O-N 3Å; I502-E504 PolarHBondContact O-N 2.93Å; I502-D550 HydrophobicContact CG2-CB 4.01Å; I502-L551 HydrophobicContact CD1-CD1 4.12Å; I502-L551 HydrophobicContact CG1-CD1 4.5Å; I502-L551 HydrophobicContact CG1-CD2 4.33Å; I502-L551 HydrophobicContact CG2-CD2 3.72Å; I502-L551 HydrophobicContact CG2-CG 4.1Å |
| 503 | K | 81.4 | Confident | 84.8 | Confident | 154 Ų | 154 | 54.5 Ų | 54.5 | 67% | 0.67 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.2 | -178.8 | -75.5 | 170.6 | -169.5 | 161.6 | 0 | 113.8 | T499 D500 F501 | T499-K503 WeakPolarHBondContact O-CG 3.4Å; D500-K503 IonicContact OD1-NZ 2.73Å; D500-K503 PolarHBondContact OD1-NZ 3.49Å; F501-K503 VanDerWaalsContact C-N 3.31Å; F501-K503 PolarHBondContact O-N 3.09Å |
| 504 | E | 82.1 | Confident | 84.7 | Confident | 115 Ų | 115 | 50.7 Ų | 50.7 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -94.1 | 122.2 | -179.3 | -64.5 | -175.7 | 163.8 | 0 | 0 | 111.5 | F501 I502 R506 N507 V508 | F501-E504 PolarHBondContact O-N 3.25Å; I502-E504 PolarHBondContact O-N 2.93Å; E504-R506 PolarHBondContact O-N 3.17Å; E504-R506 VanDerWaalsContact O-N 3.12Å; E504-N507 HydrophobicContact CB-CB 4.33Å; E504-N507 WeakPolarHBondContact CB-ND2 3.27Å; E504-N507 WeakPolarHBondContact O-CB 3.24Å; E504-N507 PolarHBondContact O-N 3.48Å; E504-N507 PolarHBondContact OE2-ND2 3.27Å; E504-N507 PolarHBondContact OE2-OD1 3.27Å; E504-V508 PolarHBondContact O-N 3.27Å |
| 505 | Q | 79.6 | Confident | 84.9 | Confident | 143 Ų | 143 | 49.5 Ų | 49.5 | 67% | 0.668 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -58.8 | -30.8 | -177.8 | -167.3 | 175 | 11.6 | 0 | 0 | 113.6 | N507 V508 L509 | Q505-N507 VanDerWaalsContact C-N 3.34Å; Q505-V508 PolarHBondContact O-N 3Å; Q505-L509 WeakPolarHBondContact O-CG 3.34Å; Q505-L509 PolarHBondContact O-N 3.04Å |
| 506 | R | 83.1 | Confident | 84.9 | Confident | 136 Ų | 136 | 50.8 Ų | 50.8 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 177 | -171.7 | 175 | -176.8 | 157.1 | 3.3 | 112 | E504 L509 T510 | E504-R506 PolarHBondContact O-N 3.17Å; E504-R506 VanDerWaalsContact O-N 3.12Å; R506-L509 PolarHBondContact O-N 3.27Å; R506-T510 PolarHBondContact O-N 3.45Å; R506-T510 PolarHBondContact O-OG1 2.58Å |
| 507 | N | 85.3 | Confident | 84.9 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.9 | -38.8 | -179.7 | -63.6 | -5.2 | 0 | 0 | 0 | 111 | V453 F501 E504 Q505 L509 T510 L511 | V453-N507 WeakPolarHBondContact CG2-OD1 3.5Å; F501-N507 HydrophobicContact CD1-CB 4.06Å; F501-N507 HydrophobicContact CD2-CB 3.8Å; F501-N507 HydrophobicContact CE1-CB 3.83Å; F501-N507 HydrophobicContact CE2-CB 3.59Å; F501-N507 HydrophobicContact CG-CB 4.06Å; F501-N507 HydrophobicContact CZ-CB 3.61Å; F501-N507 WeakPolarHBondContact O-CB 3.3Å; F501-N507 PolarHBondContact O-ND2 3.16Å; E504-N507 HydrophobicContact CB-CB 4.33Å; E504-N507 WeakPolarHBondContact CB-ND2 3.27Å; E504-N507 WeakPolarHBondContact O-CB 3.24Å; E504-N507 PolarHBondContact O-N 3.48Å; E504-N507 PolarHBondContact OE2-ND2 3.27Å; E504-N507 PolarHBondContact OE2-OD1 3.27Å; Q505-N507 VanDerWaalsContact C-N 3.34Å; N507-L509 VanDerWaalsContact C-N 3.35Å; N507-L509 PolarHBondContact O-N 2.94Å; N507-T510 PolarHBondContact O-N 3.31Å; N507-L511 PolarHBondContact O-N 3.29Å |
| 508 | V | 84.3 | Confident | 85 | Confident | 18 Ų | 18 | 46 Ų | 46 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | E504 Q505 T510 L511 G512 L551 L554 | E504-V508 PolarHBondContact O-N 3.27Å; Q505-V508 PolarHBondContact O-N 3Å; V508-T510 PolarHBondContact O-N 3.36Å; V508-L511 PolarHBondContact O-N 3.42Å; V508-G512 PolarHBondContact O-N 2.9Å; V508-L551 HydrophobicContact CG1-CD2 4.08Å; V508-L551 HydrophobicContact CG2-CD2 4Å; V508-L554 HydrophobicContact CG1-CD1 3.78Å; V508-L554 HydrophobicContact CG1-CD2 4.31Å; V508-L554 HydrophobicContact CG1-CG 3.84Å |
| 509 | L | 85.1 | Confident | 85 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 33% | 0.33 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -41 | 175.5 | -67.6 | 175 | 0 | 0 | 0 | 112.1 | Q505 R506 N507 G512 E513 L590 V591 | Q505-L509 WeakPolarHBondContact O-CG 3.34Å; Q505-L509 PolarHBondContact O-N 3.04Å; R506-L509 PolarHBondContact O-N 3.27Å; N507-L509 VanDerWaalsContact C-N 3.35Å; N507-L509 PolarHBondContact O-N 2.94Å; L509-G512 WeakPolarHBondContact O-CA 3.32Å; L509-G512 PolarHBondContact O-N 3.17Å; L509-G512 VanDerWaalsContact O-N 3.14Å; L509-E513 PolarHBondContact O-N 3.33Å; L509-L590 HydrophobicContact CD2-CB 4.1Å; L509-V591 HydrophobicContact CD2-CG2 3.62Å |
| 510 | T | 85.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | 177.5 | -51 | 0 | 0 | 0 | 0 | 112.1 | V453 I456 E457 R506 N507 V508 G512 E513 I514 | V453-T510 HydrophobicContact CG1-CG2 3.46Å; V453-T510 VanDerWaalsContact CG1-CG2 3.46Å; V453-T510 WeakPolarHBondContact CG1-OG1 3.44Å; I456-T510 HydrophobicContact CG2-CG2 3.52Å; E457-T510 HydrophobicContact CG-CG2 3.81Å; E457-T510 PolarHBondContact OE1-OG1 3.31Å; R506-T510 PolarHBondContact O-N 3.45Å; R506-T510 PolarHBondContact O-OG1 2.58Å; N507-T510 PolarHBondContact O-N 3.31Å; V508-T510 PolarHBondContact O-N 3.36Å; T510-G512 PolarHBondContact O-N 3.38Å; T510-E513 PolarHBondContact O-N 3.22Å; T510-E513 VanDerWaalsContact O-N 3.09Å; T510-I514 WeakPolarHBondContact O-CG1 3.38Å; T510-I514 PolarHBondContact O-N 3.47Å |
| 511 | L | 88.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -38.6 | 169.7 | -177.2 | 62.1 | 0 | 0 | 0 | 111.4 | I492 V496 F501 N507 V508 E513 I514 I515 I545 L554 | I492-L511 HydrophobicContact CB-CD1 4.34Å; I492-L511 HydrophobicContact CG1-CD1 3.98Å; I492-L511 HydrophobicContact CG2-CD1 4.33Å; V496-L511 HydrophobicContact CG2-CD2 4.02Å; F501-L511 HydrophobicContact CE1-CB 4.47Å; N507-L511 PolarHBondContact O-N 3.29Å; V508-L511 PolarHBondContact O-N 3.42Å; L511-E513 PolarHBondContact O-N 3.26Å; L511-I514 WeakPolarHBondContact O-CB 3.43Å; L511-I514 PolarHBondContact O-N 3.04Å; L511-I515 HydrophobicContact CG-CD1 4.4Å; L511-I515 WeakPolarHBondContact O-CG1 3.45Å; L511-I515 PolarHBondContact O-N 2.98Å; L511-I545 HydrophobicContact CD2-CD1 4.49Å; L511-L554 HydrophobicContact CB-CD1 4Å; L511-L554 HydrophobicContact CD2-CD1 3.67Å; L511-L554 HydrophobicContact CG-CD1 3.81Å |
| 512 | G | 87.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V508 L509 T510 I514 I515 K516 | V508-G512 PolarHBondContact O-N 2.9Å; L509-G512 WeakPolarHBondContact O-CA 3.32Å; L509-G512 PolarHBondContact O-N 3.17Å; L509-G512 VanDerWaalsContact O-N 3.14Å; T510-G512 PolarHBondContact O-N 3.38Å; G512-I514 VanDerWaalsContact C-N 3.33Å; G512-I514 PolarHBondContact O-N 3.19Å; G512-I515 PolarHBondContact O-N 3.1Å; G512-K516 WeakPolarHBondContact O-CG 3.38Å; G512-K516 PolarHBondContact O-N 3.3Å |
| 513 | E | 87.3 | Confident | 84.9 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.7 | -32.1 | 176.9 | -70.4 | -56.9 | 125.7 | 0 | 0 | 113.3 | I460 R464 L509 T510 L511 K516 F517 | I460-E513 HydrophobicContact CD1-CB 4.24Å; R464-E513 IonicContact CZ-OE2 3.96Å; R464-E513 IonicContact NH1-OE2 3.41Å; R464-E513 PolarHBondContact NH1-OE2 3.36Å; R464-E513 IonicContact NH2-OE2 2.67Å; R464-E513 PolarHBondContact NH2-OE2 2.88Å; L509-E513 PolarHBondContact O-N 3.33Å; T510-E513 PolarHBondContact O-N 3.22Å; T510-E513 VanDerWaalsContact O-N 3.09Å; L511-E513 PolarHBondContact O-N 3.26Å; E513-K516 WeakPolarHBondContact OE1-CE 3.49Å; E513-K516 IonicContact OE1-NZ 3.09Å; E513-K516 PolarHBondContact OE1-NZ 3.49Å; E513-F517 WeakPolarHBondContact O-CB 3.41Å; E513-F517 PolarHBondContact O-N 2.9Å |
| 514 | I | 89.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -49.6 | 171.2 | -68.2 | 171.8 | 0 | 0 | 0 | 109.8 | I456 I460 F488 I492 T510 L511 G512 K516 F517 I518 | I456-I514 HydrophobicContact CG1-CD1 4.46Å; I460-I514 HydrophobicContact CD1-CG1 3.65Å; F488-I514 HydrophobicContact CB-CG2 4.47Å; F488-I514 HydrophobicContact CD1-CB 4.41Å; F488-I514 HydrophobicContact CD1-CG1 4.5Å; F488-I514 HydrophobicContact CD1-CG2 3.73Å; F488-I514 HydrophobicContact CE1-CG1 4.49Å; F488-I514 HydrophobicContact CE1-CG2 4.5Å; I492-I514 HydrophobicContact CD1-CG2 4Å; I492-I514 HydrophobicContact CG1-CG2 3.61Å; T510-I514 WeakPolarHBondContact O-CG1 3.38Å; T510-I514 PolarHBondContact O-N 3.47Å; L511-I514 WeakPolarHBondContact O-CB 3.43Å; L511-I514 PolarHBondContact O-N 3.04Å; G512-I514 VanDerWaalsContact C-N 3.33Å; G512-I514 PolarHBondContact O-N 3.19Å; I514-K516 PolarHBondContact O-N 3.12Å; I514-F517 WeakPolarHBondContact O-CB 3.3Å; I514-F517 PolarHBondContact O-N 3.32Å; I514-F517 VanDerWaalsContact O-N 3.16Å; I514-I518 PolarHBondContact O-N 2.87Å; I514-I518 VanDerWaalsContact O-N 3.12Å |
| 515 | I | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 179.8 | -60.5 | 165.6 | 0 | 0 | 0 | 111.2 | I492 L511 G512 F517 I518 L519 I545 L554 L557 V561 | I492-I515 HydrophobicContact CD1-CG1 3.78Å; I492-I515 HydrophobicContact CG1-CG1 4.33Å; L511-I515 HydrophobicContact CG-CD1 4.4Å; L511-I515 WeakPolarHBondContact O-CG1 3.45Å; L511-I515 PolarHBondContact O-N 2.98Å; G512-I515 PolarHBondContact O-N 3.1Å; I515-F517 VanDerWaalsContact C-N 3.26Å; I515-F517 PolarHBondContact O-N 2.85Å; I515-I518 WeakPolarHBondContact O-CB 3.3Å; I515-I518 PolarHBondContact O-N 2.81Å; I515-I518 VanDerWaalsContact O-N 3.11Å; I515-L519 PolarHBondContact O-N 2.88Å; I515-L519 VanDerWaalsContact O-N 3.08Å; I515-I545 HydrophobicContact CD1-CD1 3.86Å; I515-L554 HydrophobicContact CD1-CD1 4.48Å; I515-L557 HydrophobicContact CB-CB 4.36Å; I515-L557 HydrophobicContact CB-CD1 4.43Å; I515-L557 HydrophobicContact CG2-CB 3.69Å; I515-V561 HydrophobicContact CG2-CG2 3.76Å |
| 516 | K | 87.8 | Confident | 83.8 | Confident | 27 Ų | 27 | 29.2 Ų | 29.2 | 12% | 0.117 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -37.2 | 174 | -71.6 | 179.4 | -155.3 | 176.4 | 0 | 112.3 | G512 E513 I514 I518 L519 F520 L557 L592 | G512-K516 WeakPolarHBondContact O-CG 3.38Å; G512-K516 PolarHBondContact O-N 3.3Å; E513-K516 WeakPolarHBondContact OE1-CE 3.49Å; E513-K516 IonicContact OE1-NZ 3.09Å; E513-K516 PolarHBondContact OE1-NZ 3.49Å; I514-K516 PolarHBondContact O-N 3.12Å; K516-I518 VanDerWaalsContact C-N 3.33Å; K516-L519 PolarHBondContact O-N 3.23Å; K516-F520 WeakPolarHBondContact O-CB 3.49Å; K516-F520 PolarHBondContact O-N 2.96Å; K516-L557 HydrophobicContact CD-CD1 4.46Å; K516-L557 HydrophobicContact CG-CD1 3.73Å; K516-L557 HydrophobicContact CG-CD2 3.86Å; K516-L557 HydrophobicContact CG-CG 4.5Å; K516-L592 WeakPolarHBondContact CE-O 3.36Å; K516-L592 PolarHBondContact NZ-O 2.78Å |
| 517 | F | 88 | Confident | 82.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.4 | -37.1 | 176 | 174.4 | -99.5 | 0 | 0 | 0 | 112 | I460 L463 R464 I467 L484 F488 E513 I514 I515 F520 Y521 | I460-F517 HydrophobicContact CG2-CB 4.1Å; I460-F517 HydrophobicContact CG2-CD2 4.34Å; I460-F517 HydrophobicContact CG2-CG 4.4Å; L463-F517 HydrophobicContact CB-CE2 3.62Å; L463-F517 HydrophobicContact CB-CZ 3.74Å; L463-F517 HydrophobicContact CD1-CE1 4.35Å; L463-F517 HydrophobicContact CD1-CZ 3.99Å; L463-F517 HydrophobicContact CG-CZ 4.4Å; R464-F517 HydrophobicContact CG-CD2 3.88Å; R464-F517 HydrophobicContact CG-CE2 4.34Å; I467-F517 HydrophobicContact CD1-CE2 3.6Å; I467-F517 HydrophobicContact CD1-CZ 3.36Å; L484-F517 HydrophobicContact CD1-CE1 4.48Å; L484-F517 HydrophobicContact CD1-CZ 4.22Å; L484-F517 HydrophobicContact CD2-CE1 4.22Å; F488-F517 AromaticContact CD1-CD1 3.63Å; F488-F517 HydrophobicContact CD1-CD1 3.63Å; F488-F517 HydrophobicContact CD1-CE1 4.14Å; F488-F517 HydrophobicContact CD2-CD1 4.43Å; F488-F517 HydrophobicContact CD2-CE1 4.13Å; F488-F517 AromaticContact CE1-CD1 3.67Å; F488-F517 HydrophobicContact CE1-CD1 3.67Å; F488-F517 HydrophobicContact CE1-CE1 4.07Å; F488-F517 HydrophobicContact CE1-CG 4.39Å; F488-F517 HydrophobicContact CE2-CD1 4.41Å; F488-F517 AromaticContact CE2-CE1 3.99Å; F488-F517 HydrophobicContact CE2-CE1 3.99Å; F488-F517 HydrophobicContact CG-CD1 4.07Å; F488-F517 HydrophobicContact CG-CE1 4.21Å; F488-F517 HydrophobicContact CZ-CD1 4.07Å; F488-F517 AromaticContact CZ-CE1 3.98Å; F488-F517 HydrophobicContact CZ-CE1 3.98Å; E513-F517 WeakPolarHBondContact O-CB 3.41Å; E513-F517 PolarHBondContact O-N 2.9Å; I514-F517 WeakPolarHBondContact O-CB 3.3Å; I514-F517 PolarHBondContact O-N 3.32Å; I514-F517 VanDerWaalsContact O-N 3.16Å; I515-F517 VanDerWaalsContact C-N 3.26Å; I515-F517 PolarHBondContact O-N 2.85Å; F517-F520 PolarHBondContact O-N 2.86Å; F517-Y521 VanDerWaalsContact O-CB 3.32Å; F517-Y521 WeakPolarHBondContact O-CB 3.19Å; F517-Y521 PolarHBondContact O-N 3.09Å |
| 518 | I | 88 | Confident | 82.3 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 173.8 | -65.6 | 178.6 | 0 | 0 | 0 | 111 | F488 F489 I492 I514 I515 K516 F520 Y521 W522 V561 | F488-I518 HydrophobicContact CB-CD1 4.09Å; F488-I518 HydrophobicContact CB-CG1 4.09Å; F489-I518 HydrophobicContact CD1-CD1 3.87Å; F489-I518 HydrophobicContact CD2-CD1 4.32Å; F489-I518 HydrophobicContact CE1-CD1 3.79Å; F489-I518 HydrophobicContact CE1-CG2 4.25Å; F489-I518 HydrophobicContact CE2-CD1 4.25Å; F489-I518 HydrophobicContact CE2-CG2 4.08Å; F489-I518 HydrophobicContact CG-CD1 4.14Å; F489-I518 HydrophobicContact CZ-CD1 3.99Å; F489-I518 HydrophobicContact CZ-CG2 3.62Å; I492-I518 HydrophobicContact CD1-CD1 3.36Å; I514-I518 PolarHBondContact O-N 2.87Å; I514-I518 VanDerWaalsContact O-N 3.12Å; I515-I518 WeakPolarHBondContact O-CB 3.3Å; I515-I518 PolarHBondContact O-N 2.81Å; I515-I518 VanDerWaalsContact O-N 3.11Å; K516-I518 VanDerWaalsContact C-N 3.33Å; I518-F520 VanDerWaalsContact C-N 3.31Å; I518-F520 PolarHBondContact O-N 3.49Å; I518-Y521 PolarHBondContact O-N 2.95Å; I518-W522 WeakPolarHBondContact O-CB 3.34Å; I518-W522 PolarHBondContact O-N 3.14Å; I518-V561 HydrophobicContact CG2-CG1 4.37Å; I518-V561 HydrophobicContact CG2-CG2 4.45Å |
| 519 | L | 85.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 175.3 | -71.7 | 170.5 | 0 | 0 | 0 | 111.3 | I515 K516 Y521 W522 E523 L557 V561 L564 P594 W597 | I515-L519 PolarHBondContact O-N 2.88Å; I515-L519 VanDerWaalsContact O-N 3.08Å; K516-L519 PolarHBondContact O-N 3.23Å; L519-Y521 PolarHBondContact O-N 2.69Å; L519-W522 WeakPolarHBondContact O-CB 3.23Å; L519-W522 PolarHBondContact O-N 2.98Å; L519-E523 PolarHBondContact O-N 2.94Å; L519-E523 VanDerWaalsContact O-N 3.14Å; L519-L557 HydrophobicContact CD1-CD2 4.07Å; L519-V561 HydrophobicContact CD1-CG2 4.31Å; L519-V561 HydrophobicContact CD2-CB 4.38Å; L519-V561 HydrophobicContact CD2-CG2 3.51Å; L519-V561 HydrophobicContact CG-CG2 3.63Å; L519-L564 HydrophobicContact CD2-CD1 3.78Å; L519-P594 HydrophobicContact CB-CG 3.99Å; L519-P594 HydrophobicContact CD1-CG 4.2Å; L519-W597 HydrophobicContact CD2-CZ2 4.27Å |
| 520 | F | 83.9 | Confident | 80.3 | Confident | 52 Ų | 52 | 31.5 Ų | 31.5 | 23% | 0.228 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 176.6 | 178 | -97.5 | 0 | 0 | 0 | 113.1 | R464 I467 V468 K516 F517 I518 W522 | R464-F520 HydrophobicContact CG-CD1 4.4Å; I467-F520 HydrophobicContact CB-CE1 4.5Å; I467-F520 HydrophobicContact CG2-CE1 4.15Å; V468-F520 HydrophobicContact CG2-CE1 4.06Å; V468-F520 HydrophobicContact CG2-CE2 4.4Å; V468-F520 HydrophobicContact CG2-CZ 3.43Å; V468-F520 VanDerWaalsContact CG2-CZ 3.43Å; K516-F520 WeakPolarHBondContact O-CB 3.49Å; K516-F520 PolarHBondContact O-N 2.96Å; F517-F520 PolarHBondContact O-N 2.86Å; I518-F520 VanDerWaalsContact C-N 3.31Å; I518-F520 PolarHBondContact O-N 3.49Å; F520-W522 VanDerWaalsContact C-N 3.33Å |
| 521 | Y | 83.8 | Confident | 79.1 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.6 | 177.6 | -94.6 | 0 | 0 | 0 | 111.2 | I467 S479 L484 P485 F517 I518 L519 E523 R524 H525 W528 | I467-Y521 HydrophobicContact CD1-CD2 3.99Å; S479-Y521 WeakPolarHBondContact CB-OH 3.38Å; S479-Y521 WeakPolarHBondContact OG-CE2 3.5Å; L484-Y521 HydrophobicContact CB-CE2 3.96Å; L484-Y521 HydrophobicContact CD1-CE2 4.49Å; L484-Y521 PolarHBondContact O-OH 3.4Å; P485-Y521 HydrophobicContact CB-CD1 3.9Å; P485-Y521 HydrophobicContact CB-CE1 4.08Å; P485-Y521 HydrophobicContact CG-CD1 4.02Å; P485-Y521 HydrophobicContact CG-CE1 3.86Å; F517-Y521 VanDerWaalsContact O-CB 3.32Å; F517-Y521 WeakPolarHBondContact O-CB 3.19Å; F517-Y521 PolarHBondContact O-N 3.09Å; I518-Y521 PolarHBondContact O-N 2.95Å; L519-Y521 PolarHBondContact O-N 2.69Å; Y521-E523 PolarHBondContact O-N 2.81Å; Y521-R524 PolarHBondContact O-N 3.18Å; Y521-H525 HydrophobicContact CD1-CB 4.45Å; Y521-H525 AromaticContact CD2-CD2 3.69Å; Y521-H525 HydrophobicContact CE1-CB 3.96Å; Y521-H525 HydrophobicContact CE2-CB 4.39Å; Y521-H525 AromaticContact CE2-CD2 3.36Å; Y521-H525 WeakPolarHBondContact CE2-CD2 3.42Å; Y521-H525 AromaticContact CZ-CD2 3.79Å; Y521-H525 AromaticContact CZ-CG 3.96Å; Y521-H525 PolarHBondContact O-N 3.26Å; Y521-W528 HydrophobicContact CE1-CG 4.46Å |
| 522 | W | 81.3 | Confident | 78.1 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | -179.9 | -160 | -66.5 | 0 | 0 | 0 | 112.6 | I518 L519 F520 R524 H525 R526 W528 V529 L564 F565 H568 | I518-W522 WeakPolarHBondContact O-CB 3.34Å; I518-W522 PolarHBondContact O-N 3.14Å; L519-W522 WeakPolarHBondContact O-CB 3.23Å; L519-W522 PolarHBondContact O-N 2.98Å; F520-W522 VanDerWaalsContact C-N 3.33Å; W522-R524 PolarHBondContact O-N 3.2Å; W522-H525 CarbonylContact O-C 3.5Å; W522-H525 PolarHBondContact O-N 3.42Å; W522-R526 WeakPolarHBondContact O-CG 3.32Å; W522-R526 PolarHBondContact O-N 3.38Å; W522-W528 HydrophobicContact CE3-CE3 4.44Å; W522-W528 HydrophobicContact CE3-CZ3 4.39Å; W522-W528 HydrophobicContact CH2-CZ3 4.37Å; W522-W528 HydrophobicContact CZ3-CE3 4.12Å; W522-W528 AromaticContact CZ3-CZ3 3.75Å; W522-W528 HydrophobicContact CZ3-CZ3 3.75Å; W522-V529 HydrophobicContact CH2-CB 4.48Å; W522-V529 HydrophobicContact CH2-CG1 4.31Å; W522-V529 HydrophobicContact CH2-CG2 3.35Å; W522-V529 HydrophobicContact CZ2-CB 4.38Å; W522-V529 HydrophobicContact CZ2-CG1 4.41Å; W522-V529 HydrophobicContact CZ2-CG2 3.08Å; W522-V529 HydrophobicContact CZ3-CG2 4.19Å; W522-L564 HydrophobicContact CB-CD1 4.38Å; W522-L564 HydrophobicContact CD2-CD1 4.14Å; W522-L564 HydrophobicContact CG-CD1 3.95Å; W522-L564 HydrophobicContact CZ2-CB 4.09Å; W522-F565 AromaticContact CH2-CD1 3.51Å; W522-F565 HydrophobicContact CH2-CD1 3.51Å; W522-F565 AromaticContact CH2-CE1 3.37Å; W522-F565 HydrophobicContact CH2-CE1 3.37Å; W522-F565 HydrophobicContact CH2-CZ 4.38Å; W522-F565 HydrophobicContact CZ3-CD1 4.06Å; W522-F565 AromaticContact CZ3-CE1 3.47Å; W522-F565 HydrophobicContact CZ3-CE1 3.47Å; W522-F565 VanDerWaalsContact CZ3-CE1 3.47Å; W522-F565 HydrophobicContact CZ3-CZ 4.1Å; W522-H568 AromaticContact CZ2-CE1 3.81Å; W522-H568 AromaticContact CZ2-ND1 3.81Å; W522-H568 AromaticContact NE1-CE1 3.67Å |
| 523 | E | 76 | Confident | 76.8 | Confident | 51 Ų | 51 | 45.3 Ų | 45.3 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.8 | -34.4 | 176.2 | -76.1 | 174.6 | -178.1 | 0 | 0 | 112.4 | L519 Y521 W597 | L519-E523 PolarHBondContact O-N 2.94Å; L519-E523 VanDerWaalsContact O-N 3.14Å; Y521-E523 PolarHBondContact O-N 2.81Å; E523-W597 PolarHBondContact OE1-NE1 2.96Å |
| 524 | R | 75.6 | Confident | 76 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 35% | 0.347 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -87 | -31.2 | -179.9 | -168.9 | 61 | 167.1 | 160.9 | 1.7 | 113.5 | I467 T469 Y521 W522 | I467-R524 HydrophobicContact CG2-CB 4.37Å; I467-R524 HydrophobicContact CG2-CG 4.13Å; T469-R524 PolarHBondContact O-NH2 3.1Å; Y521-R524 PolarHBondContact O-N 3.18Å; W522-R524 PolarHBondContact O-N 3.2Å |
| 525 | H | 76.4 | Confident | 75.3 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | trans | -124.9 | 58.9 | -171.9 | -66.8 | -73.6 | 0 | 0 | 0 | 112.6 | S475 H476 Y521 W522 G527 W528 | S475-H525 PolarHBondContact OG-CE1 2.89Å; S475-H525 PolarHBondContact OG-NE2 2.86Å; H476-H525 AromaticContact CE1-CE1 3.99Å; H476-H525 AromaticContact CE1-ND1 3.3Å; H476-H525 PolarHBondContact CE1-ND1 3.07Å; H476-H525 VanDerWaalsContact CE1-ND1 3.3Å; H476-H525 AromaticContact ND1-ND1 3.71Å; H476-H525 AromaticContact NE2-CE1 3.91Å; H476-H525 AromaticContact NE2-ND1 3.46Å; H476-H525 PolarHBondContact NE2-ND1 3.15Å; Y521-H525 HydrophobicContact CD1-CB 4.45Å; Y521-H525 AromaticContact CD2-CD2 3.69Å; Y521-H525 HydrophobicContact CE1-CB 3.96Å; Y521-H525 HydrophobicContact CE2-CB 4.39Å; Y521-H525 AromaticContact CE2-CD2 3.36Å; Y521-H525 WeakPolarHBondContact CE2-CD2 3.42Å; Y521-H525 AromaticContact CZ-CD2 3.79Å; Y521-H525 AromaticContact CZ-CG 3.96Å; Y521-H525 PolarHBondContact O-N 3.26Å; W522-H525 CarbonylContact O-C 3.5Å; W522-H525 PolarHBondContact O-N 3.42Å; H525-G527 VanDerWaalsContact C-N 3.26Å; H525-G527 PolarHBondContact O-N 3.38Å; H525-W528 PolarHBondContact O-N 3.42Å | ||
| 526 | R | 68.5 | Low | 74.7 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -58.8 | -27.9 | -174.9 | -67.2 | -179.2 | 177.4 | -106.1 | -7.7 | 115.4 | W522 G705 | W522-R526 WeakPolarHBondContact O-CG 3.32Å; W522-R526 PolarHBondContact O-N 3.38Å; R526-G705 PolarHBondContact NE-O 3.12Å; R526-G705 VanDerWaalsContact NE-O 3.11Å; R526-G705 PolarHBondContact NH1-O 3.46Å; R526-G705 VanDerWaalsContact NH1-O 3.15Å; R526-G705 PolarHBondContact NH2-O 3.34Å |
| 527 | G | 64.9 | Low | 74.4 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 46% | 0.464 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -79.8 | -9.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | H525 V529 E530 | H525-G527 VanDerWaalsContact C-N 3.26Å; H525-G527 PolarHBondContact O-N 3.38Å; G527-V529 PolarHBondContact O-N 3.22Å; G527-V529 VanDerWaalsContact O-N 3.1Å; G527-E530 PolarHBondContact O-N 2.9Å |
| 528 | W | 71.4 | Confident | 74.2 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 12% | 0.117 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -59.9 | -26.7 | -175.3 | 168.3 | 71.1 | 0 | 0 | 0 | 113.5 | P485 F489 Y521 W522 H525 E530 D531 E532 L535 F538 | P485-W528 VanDerWaalsContact CD-CZ2 3.41Å; P485-W528 HydrophobicContact CG-CD2 3.65Å; P485-W528 HydrophobicContact CG-CE3 3.58Å; P485-W528 HydrophobicContact CG-CH2 3.49Å; P485-W528 VanDerWaalsContact CG-CH2 3.49Å; P485-W528 HydrophobicContact CG-CZ2 3.57Å; P485-W528 HydrophobicContact CG-CZ3 3.5Å; F489-W528 HydrophobicContact CD2-CH2 4.47Å; F489-W528 HydrophobicContact CE2-CH2 4.05Å; F489-W528 HydrophobicContact CE2-CZ3 4.25Å; Y521-W528 HydrophobicContact CE1-CG 4.46Å; W522-W528 HydrophobicContact CE3-CE3 4.44Å; W522-W528 HydrophobicContact CE3-CZ3 4.39Å; W522-W528 HydrophobicContact CH2-CZ3 4.37Å; W522-W528 HydrophobicContact CZ3-CE3 4.12Å; W522-W528 AromaticContact CZ3-CZ3 3.75Å; W522-W528 HydrophobicContact CZ3-CZ3 3.75Å; H525-W528 PolarHBondContact O-N 3.42Å; W528-E530 VanDerWaalsContact C-N 3.33Å; W528-E530 PolarHBondContact O-N 3.04Å; W528-D531 PolarHBondContact O-N 3.38Å; W528-E532 HydrophobicContact CH2-CG 4.37Å; W528-E532 HydrophobicContact CZ2-CB 3.96Å; W528-E532 HydrophobicContact CZ2-CG 3.76Å; W528-L535 HydrophobicContact CH2-CD2 3.86Å; W528-L535 HydrophobicContact CZ3-CD2 3.92Å; W528-F538 HydrophobicContact CH2-CD2 4.36Å; W528-F538 HydrophobicContact CH2-CE2 4.14Å; W528-F538 HydrophobicContact CZ2-CE2 4.45Å |
| 529 | V | 63 | Low | 74.2 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -66.2 | -33.7 | -176.3 | -167 | 0 | 0 | 0 | 0 | 112.4 | W522 G527 D531 L535 H568 | W522-V529 HydrophobicContact CH2-CB 4.48Å; W522-V529 HydrophobicContact CH2-CG1 4.31Å; W522-V529 HydrophobicContact CH2-CG2 3.35Å; W522-V529 HydrophobicContact CZ2-CB 4.38Å; W522-V529 HydrophobicContact CZ2-CG1 4.41Å; W522-V529 HydrophobicContact CZ2-CG2 3.08Å; W522-V529 HydrophobicContact CZ3-CG2 4.19Å; G527-V529 PolarHBondContact O-N 3.22Å; G527-V529 VanDerWaalsContact O-N 3.1Å; V529-D531 PolarHBondContact O-N 3.42Å; V529-L535 HydrophobicContact CG1-CD1 3.35Å; V529-L535 HydrophobicContact CG1-CD2 4.12Å; V529-L535 HydrophobicContact CG1-CG 4.38Å; V529-H568 HydrophobicContact CG1-CB 3.85Å |
| 530 | E | 65 | Low | 74.4 | Confident | 181 Ų | 181 | 65.7 Ų | 65.7 | 85% | 0.846 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -70.8 | -23.1 | -178.5 | -63.8 | -177.3 | 179.7 | 0 | 0 | 112.4 | G527 W528 | G527-E530 PolarHBondContact O-N 2.9Å; W528-E530 VanDerWaalsContact C-N 3.33Å; W528-E530 PolarHBondContact O-N 3.04Å |
| 531 | D | 60.1 | Low | 74.7 | Confident | 134 Ų | 134 | 63.8 Ų | 63.8 | 72% | 0.717 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -90.2 | -7.8 | -175.2 | -68 | -37.7 | 0 | 0 | 0 | 113.5 | W528 V529 | W528-D531 PolarHBondContact O-N 3.38Å; V529-D531 PolarHBondContact O-N 3.42Å |
| 532 | E | 67.5 | Low | 75 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | trans | -112.1 | 110.6 | -169.2 | -162.3 | 69.1 | -137.9 | 0 | 0 | 113.3 | W528 R534 L535 F538 | W528-E532 HydrophobicContact CH2-CG 4.37Å; W528-E532 HydrophobicContact CZ2-CB 3.96Å; W528-E532 HydrophobicContact CZ2-CG 3.76Å; E532-R534 PolarHBondContact O-N 2.89Å; E532-R534 VanDerWaalsContact O-N 3.12Å; E532-L535 HydrophobicContact CB-CD2 4.22Å; E532-L535 HydrophobicContact CB-CG 4.43Å; E532-F538 HydrophobicContact CG-CE2 4.17Å | ||
| 533 | P | 60.7 | Low | 75.4 | Confident | 117 Ų | 117 | 64.4 Ų | 64.4 | 76% | 0.76 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 8.7 | -172.9 | 30.9 | -35.2 | 0 | 0 | 0 | 115.2 | ||
| 534 | R | 70.2 | Confident | 76 | Confident | 143 Ų | 143 | 64.2 Ų | 64.2 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | 35.1 | -170.5 | -66.2 | 178.7 | 177.1 | -140.2 | 9.1 | 114.6 | E532 E536 E537 | E532-R534 PolarHBondContact O-N 2.89Å; E532-R534 VanDerWaalsContact O-N 3.12Å; R534-E536 PolarHBondContact O-N 3.15Å; R534-E537 HydrophobicContact CB-CG 4.36Å; R534-E537 WeakPolarHBondContact CD-OE1 3.36Å; R534-E537 IonicContact CZ-OE1 3.45Å; R534-E537 IonicContact NE-OE1 2.69Å; R534-E537 IonicContact NH1-OE1 3.35Å; R534-E537 PolarHBondContact NH1-OE1 3.34Å; R534-E537 IonicContact NH1-OE2 2.78Å; R534-E537 PolarHBondContact O-N 3.19Å |
| 535 | L | 73.8 | Confident | 76.6 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -60.8 | -30.5 | -178.1 | -65.2 | 162.2 | 0 | 0 | 0 | 113.6 | W528 V529 E532 E537 F538 F565 V570 | W528-L535 HydrophobicContact CH2-CD2 3.86Å; W528-L535 HydrophobicContact CZ3-CD2 3.92Å; V529-L535 HydrophobicContact CG1-CD1 3.35Å; V529-L535 HydrophobicContact CG1-CD2 4.12Å; V529-L535 HydrophobicContact CG1-CG 4.38Å; E532-L535 HydrophobicContact CB-CD2 4.22Å; E532-L535 HydrophobicContact CB-CG 4.43Å; L535-E537 VanDerWaalsContact C-N 3.29Å; L535-E537 PolarHBondContact O-N 2.85Å; L535-F538 HydrophobicContact CD2-CD2 4.49Å; L535-F538 PolarHBondContact O-N 2.82Å; L535-F538 VanDerWaalsContact O-N 3.12Å; L535-F565 HydrophobicContact CD2-CD1 4.49Å; L535-F565 HydrophobicContact CD2-CE1 3.9Å; L535-V570 HydrophobicContact CB-CG2 3.91Å; L535-V570 HydrophobicContact CD1-CG2 3.9Å |
| 536 | E | 78.1 | Confident | 77.1 | Confident | 144 Ų | 144 | 59.8 Ų | 59.8 | 67% | 0.673 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -58.7 | -37.7 | 178.3 | -66.1 | 167 | -169.8 | 0 | 0 | 112.4 | R534 F538 T539 V570 | R534-E536 PolarHBondContact O-N 3.15Å; E536-F538 PolarHBondContact O-N 2.88Å; E536-T539 PolarHBondContact O-N 3.41Å; E536-T539 VanDerWaalsContact O-N 3.11Å; E536-T539 PolarHBondContact O-OG1 3.41Å; E536-V570 HydrophobicContact CG-CG1 4.36Å |
| 537 | E | 81.8 | Confident | 77.9 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -62.5 | -26.2 | 179.1 | -65.5 | -176.9 | -167.3 | 0 | 0 | 112.1 | R534 L535 | R534-E537 HydrophobicContact CB-CG 4.36Å; R534-E537 WeakPolarHBondContact CD-OE1 3.36Å; R534-E537 IonicContact CZ-OE1 3.45Å; R534-E537 IonicContact NE-OE1 2.69Å; R534-E537 IonicContact NH1-OE1 3.35Å; R534-E537 PolarHBondContact NH1-OE1 3.34Å; R534-E537 IonicContact NH1-OE2 2.78Å; R534-E537 PolarHBondContact O-N 3.19Å; L535-E537 VanDerWaalsContact C-N 3.29Å; L535-E537 PolarHBondContact O-N 2.85Å |
| 538 | F | 83.8 | Confident | 78.8 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -84.5 | -10.4 | -179.5 | -55.6 | -46 | 0 | 0 | 0 | 113.5 | Q486 F489 W528 E532 L535 E536 F565 | Q486-F538 HydrophobicContact CB-CZ 4.42Å; Q486-F538 HydrophobicContact CG-CE1 4.36Å; Q486-F538 HydrophobicContact CG-CZ 3.97Å; F489-F538 HydrophobicContact CB-CB 4.39Å; F489-F538 HydrophobicContact CB-CD1 3.36Å; F489-F538 HydrophobicContact CB-CE1 3.75Å; F489-F538 HydrophobicContact CB-CG 3.95Å; F489-F538 HydrophobicContact CD1-CB 3.79Å; F489-F538 HydrophobicContact CD1-CD1 4.36Å; F489-F538 HydrophobicContact CD1-CG 4.17Å; F489-F538 HydrophobicContact CD2-CB 4.38Å; F489-F538 HydrophobicContact CD2-CD1 4.2Å; F489-F538 HydrophobicContact CD2-CD2 4.17Å; F489-F538 AromaticContact CD2-CG 4Å; F489-F538 HydrophobicContact CD2-CG 4Å; F489-F538 HydrophobicContact CE1-CB 4.08Å; F489-F538 HydrophobicContact CG-CB 3.95Å; F489-F538 AromaticContact CG-CD1 3.76Å; F489-F538 HydrophobicContact CG-CD1 3.76Å; F489-F538 HydrophobicContact CG-CD2 4.43Å; F489-F538 HydrophobicContact CG-CE1 4.37Å; F489-F538 AromaticContact CG-CG 3.79Å; F489-F538 HydrophobicContact CG-CG 3.79Å; W528-F538 HydrophobicContact CH2-CD2 4.36Å; W528-F538 HydrophobicContact CH2-CE2 4.14Å; W528-F538 HydrophobicContact CZ2-CE2 4.45Å; E532-F538 HydrophobicContact CG-CE2 4.17Å; L535-F538 HydrophobicContact CD2-CD2 4.49Å; L535-F538 PolarHBondContact O-N 2.82Å; L535-F538 VanDerWaalsContact O-N 3.12Å; E536-F538 PolarHBondContact O-N 2.88Å; F538-F565 HydrophobicContact CB-CE2 4.35Å; F538-F565 HydrophobicContact CB-CZ 4.11Å |
| 539 | T | 87.9 | Confident | 79.2 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -78.3 | -36.8 | -179.7 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | E536 L542 K543 L562 F565 V570 V572 | E536-T539 PolarHBondContact O-N 3.41Å; E536-T539 VanDerWaalsContact O-N 3.11Å; E536-T539 PolarHBondContact O-OG1 3.41Å; T539-L542 PolarHBondContact O-N 3.43Å; T539-L542 VanDerWaalsContact O-N 3.14Å; T539-K543 WeakPolarHBondContact O-CG 3.44Å; T539-K543 PolarHBondContact O-N 3.25Å; T539-K543 PolarHBondContact OG1-NZ 2.67Å; T539-L562 HydrophobicContact CG2-CD2 4.18Å; T539-F565 HydrophobicContact CG2-CD2 4.05Å; T539-F565 HydrophobicContact CG2-CE2 4.47Å; T539-V570 HydrophobicContact CG2-CG1 4.04Å; T539-V572 HydrophobicContact CG2-CG2 4.11Å |
| 540 | E | 89 | Confident | 80 | Confident | 102 Ų | 102 | 68 Ų | 68 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | -174.1 | -69.1 | -56.3 | 125.3 | 0 | 0 | 114.7 | L542 K543 T544 | E540-L542 VanDerWaalsContact C-N 3.26Å; E540-L542 PolarHBondContact O-N 2.92Å; E540-K543 PolarHBondContact O-N 3.42Å; E540-K543 WeakPolarHBondContact OE1-CD 3.32Å; E540-K543 IonicContact OE1-NZ 2.93Å; E540-K543 PolarHBondContact OE1-NZ 2.97Å; E540-T544 PolarHBondContact O-N 2.9Å; E540-T544 PolarHBondContact O-OG1 2.85Å |
| 541 | P | 89.3 | Confident | 80.9 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 8% | 0.078 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 175.4 | -23.9 | 35.1 | 0 | 0 | 0 | 113 | I492 R493 T544 I545 | I492-P541 HydrophobicContact CG2-CB 3.85Å; R493-P541 HydrophobicContact CB-CB 4.28Å; R493-P541 HydrophobicContact CB-CG 3.66Å; R493-P541 HydrophobicContact CG-CG 4.01Å; P541-T544 WeakPolarHBondContact O-CB 3.5Å; P541-T544 PolarHBondContact O-N 3.38Å; P541-I545 WeakPolarHBondContact O-CG1 3.49Å; P541-I545 PolarHBondContact O-N 3.1Å; P541-I545 VanDerWaalsContact O-N 3.17Å |
| 542 | L | 91.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.4 | -38.3 | -179.8 | -61.8 | 171.1 | 0 | 0 | 0 | 111.8 | F489 I492 T539 E540 T544 I545 I546 A558 V561 L562 F565 | F489-L542 HydrophobicContact CE1-CD1 4.19Å; I492-L542 HydrophobicContact CG2-CD2 4.41Å; T539-L542 PolarHBondContact O-N 3.43Å; T539-L542 VanDerWaalsContact O-N 3.14Å; E540-L542 VanDerWaalsContact C-N 3.26Å; E540-L542 PolarHBondContact O-N 2.92Å; L542-T544 VanDerWaalsContact C-N 3.25Å; L542-T544 PolarHBondContact O-N 2.91Å; L542-I545 HydrophobicContact CD2-CD1 4.21Å; L542-I545 WeakPolarHBondContact O-CB 3.41Å; L542-I545 PolarHBondContact O-N 3.3Å; L542-I546 PolarHBondContact O-N 3.42Å; L542-A558 HydrophobicContact CB-CB 4.33Å; L542-A558 HydrophobicContact CD2-CB 4.06Å; L542-V561 HydrophobicContact CD1-CB 3.91Å; L542-V561 HydrophobicContact CD1-CG1 3.54Å; L542-L562 HydrophobicContact CB-CD1 3.91Å; L542-L562 HydrophobicContact CB-CD2 3.81Å; L542-L562 HydrophobicContact CB-CG 3.72Å; L542-L562 HydrophobicContact CD1-CD2 3.9Å; L542-L562 HydrophobicContact CD1-CG 4.03Å; L542-F565 HydrophobicContact CD1-CE2 4.04Å |
| 543 | K | 89.2 | Confident | 82.6 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 171.2 | -68.6 | 175.7 | -170.5 | 166.1 | 0 | 111.5 | T539 E540 I546 S547 L562 V574 | T539-K543 WeakPolarHBondContact O-CG 3.44Å; T539-K543 PolarHBondContact O-N 3.25Å; T539-K543 PolarHBondContact OG1-NZ 2.67Å; E540-K543 PolarHBondContact O-N 3.42Å; E540-K543 WeakPolarHBondContact OE1-CD 3.32Å; E540-K543 IonicContact OE1-NZ 2.93Å; E540-K543 PolarHBondContact OE1-NZ 2.97Å; K543-I546 PolarHBondContact O-N 3.17Å; K543-S547 PolarHBondContact O-N 3.45Å; K543-S547 VanDerWaalsContact O-N 3.09Å; K543-S547 PolarHBondContact O-OG 3.27Å; K543-L562 HydrophobicContact CG-CD1 4.19Å; K543-V574 HydrophobicContact CG-CG2 4.29Å |
| 544 | T | 88.1 | Confident | 83.9 | Confident | 47 Ų | 47 | 50 Ų | 50 | 29% | 0.288 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.1 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | V496 E540 P541 L542 I546 S547 Q548 | V496-T544 HydrophobicContact CG1-CG2 3.48Å; V496-T544 VanDerWaalsContact CG1-CG2 3.48Å; E540-T544 PolarHBondContact O-N 2.9Å; E540-T544 PolarHBondContact O-OG1 2.85Å; P541-T544 WeakPolarHBondContact O-CB 3.5Å; P541-T544 PolarHBondContact O-N 3.38Å; L542-T544 VanDerWaalsContact C-N 3.25Å; L542-T544 PolarHBondContact O-N 2.91Å; T544-I546 VanDerWaalsContact C-N 3.31Å; T544-I546 PolarHBondContact O-N 3.44Å; T544-S547 PolarHBondContact O-N 3Å; T544-Q548 HydrophobicContact CG2-CG 4.12Å; T544-Q548 WeakPolarHBondContact O-CB 3.47Å; T544-Q548 WeakPolarHBondContact O-CG 3.41Å; T544-Q548 PolarHBondContact O-N 3.41Å |
| 545 | I | 88.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 174.3 | -71.3 | 162 | 0 | 0 | 0 | 111.8 | I492 V496 L511 I515 P541 L542 S547 L551 L554 A558 | I492-I545 HydrophobicContact CG2-CD1 4.07Å; V496-I545 HydrophobicContact CG2-CD1 3.78Å; V496-I545 HydrophobicContact CG2-CG1 3.67Å; L511-I545 HydrophobicContact CD2-CD1 4.49Å; I515-I545 HydrophobicContact CD1-CD1 3.86Å; P541-I545 WeakPolarHBondContact O-CG1 3.49Å; P541-I545 PolarHBondContact O-N 3.1Å; P541-I545 VanDerWaalsContact O-N 3.17Å; L542-I545 HydrophobicContact CD2-CD1 4.21Å; L542-I545 WeakPolarHBondContact O-CB 3.41Å; L542-I545 PolarHBondContact O-N 3.3Å; I545-S547 VanDerWaalsContact C-N 3.32Å; I545-S547 PolarHBondContact O-N 3.31Å; I545-L551 HydrophobicContact CG1-CD1 3.9Å; I545-L551 HydrophobicContact CG2-CB 4.16Å; I545-L554 HydrophobicContact CG2-CB 3.75Å; I545-A558 HydrophobicContact CB-CB 4.07Å; I545-A558 HydrophobicContact CD1-CB 4.45Å; I545-A558 HydrophobicContact CG2-CB 3.72Å |
| 546 | I | 86.8 | Confident | 85.4 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68 | -33.7 | 179.3 | -67.5 | 177.9 | 0 | 0 | 0 | 111.7 | L542 K543 T544 A555 A558 A559 L562 V574 L579 L582 L606 | L542-I546 PolarHBondContact O-N 3.42Å; K543-I546 PolarHBondContact O-N 3.17Å; T544-I546 VanDerWaalsContact C-N 3.31Å; T544-I546 PolarHBondContact O-N 3.44Å; I546-A555 HydrophobicContact CG1-CB 4.39Å; I546-A558 HydrophobicContact CG1-CB 4.26Å; I546-A559 HydrophobicContact CD1-CB 4.14Å; I546-L562 HydrophobicContact CD1-CD1 3.58Å; I546-V574 HydrophobicContact CG2-CG1 3.86Å; I546-L579 HydrophobicContact CG2-CD2 4.48Å; I546-L582 HydrophobicContact CG2-CD1 3.62Å; I546-L606 HydrophobicContact CD1-CD1 4.09Å |
| 547 | S | 86.1 | Confident | 85.8 | Confident | 71 Ų | 71 | 35.6 Ų | 35.6 | 50% | 0.497 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -87.9 | -18.4 | -173.8 | -52.5 | 0 | 0 | 0 | 0 | 113.7 | K543 T544 I545 | K543-S547 PolarHBondContact O-N 3.45Å; K543-S547 VanDerWaalsContact O-N 3.09Å; K543-S547 PolarHBondContact O-OG 3.27Å; T544-S547 PolarHBondContact O-N 3Å; I545-S547 VanDerWaalsContact C-N 3.32Å; I545-S547 PolarHBondContact O-N 3.31Å |
| 548 | Q | 84.6 | Confident | 86.2 | Confident | 67 Ų | 67 | 31.2 Ų | 31.2 | 31% | 0.313 | 18% | 0.182 | S | C | . | . | trans | -90.9 | 127.8 | -177.8 | -74.9 | -177.2 | -12.3 | 0 | 0 | 112.5 | T544 D550 L551 T552 | T544-Q548 HydrophobicContact CG2-CG 4.12Å; T544-Q548 WeakPolarHBondContact O-CB 3.47Å; T544-Q548 WeakPolarHBondContact O-CG 3.41Å; T544-Q548 PolarHBondContact O-N 3.41Å; Q548-D550 VanDerWaalsContact C-N 3.28Å; Q548-D550 PolarHBondContact O-N 2.79Å; Q548-L551 HydrophobicContact CB-CB 4.4Å; Q548-L551 PolarHBondContact O-N 2.9Å; Q548-T552 PolarHBondContact O-N 3.08Å | ||
| 549 | S | 79.1 | Confident | 86.5 | Confident | 90 Ų | 90 | 30.8 Ų | 30.8 | 63% | 0.629 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -59.1 | -37.1 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | L551 T552 | S549-L551 PolarHBondContact O-N 3.27Å; S549-T552 WeakPolarHBondContact O-CG2 3.42Å; S549-T552 PolarHBondContact O-N 3.23Å; S549-T552 PolarHBondContact O-OG1 3.42Å |
| 550 | D | 78.8 | Confident | 86.5 | Confident | 121 Ų | 121 | 30.7 Ų | 30.7 | 65% | 0.647 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -72.3 | -19.1 | -176.1 | -59.7 | -28.3 | 0 | 0 | 0 | 112.8 | I502 Q548 | I502-D550 HydrophobicContact CG2-CB 4.01Å; Q548-D550 VanDerWaalsContact C-N 3.28Å; Q548-D550 PolarHBondContact O-N 2.79Å |
| 551 | L | 83.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -109.6 | 10 | -178.3 | -61.9 | -179.2 | 0 | 0 | 0 | 113.4 | V496 I502 V508 I545 Q548 S549 A553 L554 A555 | V496-L551 HydrophobicContact CG1-CD1 4.44Å; V496-L551 HydrophobicContact CG2-CD1 4.43Å; I502-L551 HydrophobicContact CD1-CD1 4.12Å; I502-L551 HydrophobicContact CG1-CD1 4.5Å; I502-L551 HydrophobicContact CG1-CD2 4.33Å; I502-L551 HydrophobicContact CG2-CD2 3.72Å; I502-L551 HydrophobicContact CG2-CG 4.1Å; V508-L551 HydrophobicContact CG1-CD2 4.08Å; V508-L551 HydrophobicContact CG2-CD2 4Å; I545-L551 HydrophobicContact CG1-CD1 3.9Å; I545-L551 HydrophobicContact CG2-CB 4.16Å; Q548-L551 HydrophobicContact CB-CB 4.4Å; Q548-L551 PolarHBondContact O-N 2.9Å; S549-L551 PolarHBondContact O-N 3.27Å; L551-A553 PolarHBondContact O-N 3.36Å; L551-L554 HydrophobicContact CD2-CD1 4.37Å; L551-L554 WeakPolarHBondContact O-CB 3.47Å; L551-L554 PolarHBondContact O-N 3.21Å; L551-A555 PolarHBondContact O-N 3.42Å |
| 552 | T | 81.8 | Confident | 86.5 | Confident | 59 Ų | 59 | 25.3 Ų | 25.3 | 36% | 0.362 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -53.4 | -29.4 | -179.3 | 47.1 | 0 | 0 | 0 | 0 | 114.2 | Q548 S549 L554 A555 L582 | Q548-T552 PolarHBondContact O-N 3.08Å; S549-T552 WeakPolarHBondContact O-CG2 3.42Å; S549-T552 PolarHBondContact O-N 3.23Å; S549-T552 PolarHBondContact O-OG1 3.42Å; T552-L554 VanDerWaalsContact C-N 3.25Å; T552-L554 PolarHBondContact O-N 3.11Å; T552-A555 WeakPolarHBondContact O-CB 3.4Å; T552-A555 PolarHBondContact O-N 2.81Å; T552-L582 HydrophobicContact CG2-CD2 4.04Å |
| 553 | A | 82.6 | Confident | 86.3 | Confident | 36 Ų | 36 | 25.8 Ų | 25.8 | 30% | 0.298 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -66.1 | -23.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L551 | L551-A553 PolarHBondContact O-N 3.36Š|
| 554 | L | 87.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -95.6 | -12.1 | 177.8 | -60 | -175.5 | 0 | 0 | 0 | 113.1 | V508 L511 I515 I545 L551 T552 P556 L557 A558 V591 | V508-L554 HydrophobicContact CG1-CD1 3.78Å; V508-L554 HydrophobicContact CG1-CD2 4.31Å; V508-L554 HydrophobicContact CG1-CG 3.84Å; L511-L554 HydrophobicContact CB-CD1 4Å; L511-L554 HydrophobicContact CD2-CD1 3.67Å; L511-L554 HydrophobicContact CG-CD1 3.81Å; I515-L554 HydrophobicContact CD1-CD1 4.48Å; I545-L554 HydrophobicContact CG2-CB 3.75Å; L551-L554 HydrophobicContact CD2-CD1 4.37Å; L551-L554 WeakPolarHBondContact O-CB 3.47Å; L551-L554 PolarHBondContact O-N 3.21Å; T552-L554 VanDerWaalsContact C-N 3.25Å; T552-L554 PolarHBondContact O-N 3.11Å; L554-P556 VanDerWaalsContact C-N 3.34Å; L554-L557 PolarHBondContact O-N 3.12Å; L554-A558 PolarHBondContact O-N 2.87Å; L554-V591 HydrophobicContact CD2-CB 4.49Å; L554-V591 HydrophobicContact CD2-CG1 3.94Å; L554-V591 HydrophobicContact CD2-CG2 4.11Å |
| 555 | A | 87.8 | Confident | 86 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.8 | -40.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I546 L551 T552 L557 A558 A559 L582 | I546-A555 HydrophobicContact CG1-CB 4.39Å; L551-A555 PolarHBondContact O-N 3.42Å; T552-A555 WeakPolarHBondContact O-CB 3.4Å; T552-A555 PolarHBondContact O-N 2.81Å; A555-L557 PolarHBondContact O-N 3.37Å; A555-A558 PolarHBondContact O-N 2.95Å; A555-A559 WeakPolarHBondContact O-CB 3.36Å; A555-A559 PolarHBondContact O-N 3.25Å; A555-L582 HydrophobicContact CB-CD1 3.85Å; A555-L582 HydrophobicContact CB-CD2 3.97Å |
| 556 | P | 87.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -51.5 | -49.7 | 170 | -35.2 | 42.1 | 0 | 0 | 0 | 114.8 | L554 A559 S560 P587 L599 | L554-P556 VanDerWaalsContact C-N 3.34Å; P556-A559 PolarHBondContact O-N 3.2Å; P556-S560 PolarHBondContact O-N 3.28Å; P556-S560 PolarHBondContact O-OG 3.13Å; P556-P587 HydrophobicContact CG-CB 4.4Å; P556-P587 HydrophobicContact CG-CG 4.25Å; P556-L599 HydrophobicContact CB-CD1 3.72Å; P556-L599 HydrophobicContact CB-CG 4.35Å; P556-L599 VanDerWaalsContact CB-O 3.31Å; P556-L599 WeakPolarHBondContact CB-O 3.3Å; P556-L599 HydrophobicContact CG-CD1 3.82Å; P556-L599 HydrophobicContact CG-CG 4.29Å |
| 557 | L | 88.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | -178.9 | -68.3 | 180 | 0 | 0 | 0 | 111.9 | I515 K516 L519 L554 A555 A559 S560 V561 V591 P593 | I515-L557 HydrophobicContact CB-CB 4.36Å; I515-L557 HydrophobicContact CB-CD1 4.43Å; I515-L557 HydrophobicContact CG2-CB 3.69Å; K516-L557 HydrophobicContact CD-CD1 4.46Å; K516-L557 HydrophobicContact CG-CD1 3.73Å; K516-L557 HydrophobicContact CG-CD2 3.86Å; K516-L557 HydrophobicContact CG-CG 4.5Å; L519-L557 HydrophobicContact CD1-CD2 4.07Å; L554-L557 PolarHBondContact O-N 3.12Å; A555-L557 PolarHBondContact O-N 3.37Å; L557-A559 VanDerWaalsContact C-N 3.3Å; L557-A559 PolarHBondContact O-N 3.48Å; L557-S560 PolarHBondContact O-N 2.69Å; L557-V561 PolarHBondContact O-N 2.99Å; L557-V561 VanDerWaalsContact O-N 3.13Å; L557-V591 HydrophobicContact CD1-CG1 3.25Å; L557-V591 HydrophobicContact CG-CG1 4Å; L557-P593 HydrophobicContact CD2-CB 3.93Å |
| 558 | A | 89.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L542 I545 I546 L554 A555 S560 V561 L562 | L542-A558 HydrophobicContact CB-CB 4.33Å; L542-A558 HydrophobicContact CD2-CB 4.06Å; I545-A558 HydrophobicContact CB-CB 4.07Å; I545-A558 HydrophobicContact CD1-CB 4.45Å; I545-A558 HydrophobicContact CG2-CB 3.72Å; I546-A558 HydrophobicContact CG1-CB 4.26Å; L554-A558 PolarHBondContact O-N 2.87Å; A555-A558 PolarHBondContact O-N 2.95Å; A558-S560 VanDerWaalsContact C-N 3.35Å; A558-S560 PolarHBondContact O-N 3.26Å; A558-V561 PolarHBondContact O-N 3.41Å; A558-L562 WeakPolarHBondContact O-CB 3.37Å; A558-L562 WeakPolarHBondContact O-CG 3.39Å; A558-L562 PolarHBondContact O-N 3.35Å |
| 559 | A | 89.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I546 A555 P556 L557 L562 S563 L603 L606 | I546-A559 HydrophobicContact CD1-CB 4.14Å; A555-A559 WeakPolarHBondContact O-CB 3.36Å; A555-A559 PolarHBondContact O-N 3.25Å; P556-A559 PolarHBondContact O-N 3.2Å; L557-A559 VanDerWaalsContact C-N 3.3Å; L557-A559 PolarHBondContact O-N 3.48Å; A559-L562 PolarHBondContact O-N 3.16Å; A559-S563 WeakPolarHBondContact O-CB 3.41Å; A559-S563 PolarHBondContact O-N 3.49Å; A559-S563 PolarHBondContact O-OG 3.02Å; A559-L603 HydrophobicContact CB-CB 4.48Å; A559-L603 HydrophobicContact CB-CD2 3.58Å; A559-L603 HydrophobicContact CB-CG 3.76Å; A559-L606 HydrophobicContact CB-CD1 3.81Å |
| 560 | S | 88.3 | Confident | 84 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 174.8 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | P556 L557 A558 S563 L564 | P556-S560 PolarHBondContact O-N 3.28Å; P556-S560 PolarHBondContact O-OG 3.13Å; L557-S560 PolarHBondContact O-N 2.69Å; A558-S560 VanDerWaalsContact C-N 3.35Å; A558-S560 PolarHBondContact O-N 3.26Å; S560-S563 PolarHBondContact O-N 2.92Å; S560-S563 PolarHBondContact O-OG 3.03Å; S560-L564 PolarHBondContact O-N 3.46Å |
| 561 | V | 89 | Confident | 83.8 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | F489 I515 I518 L519 L542 L557 A558 S563 L564 F565 | F489-V561 HydrophobicContact CE1-CG1 4.12Å; F489-V561 HydrophobicContact CZ-CG1 4.16Å; I515-V561 HydrophobicContact CG2-CG2 3.76Å; I518-V561 HydrophobicContact CG2-CG1 4.37Å; I518-V561 HydrophobicContact CG2-CG2 4.45Å; L519-V561 HydrophobicContact CD1-CG2 4.31Å; L519-V561 HydrophobicContact CD2-CB 4.38Å; L519-V561 HydrophobicContact CD2-CG2 3.51Å; L519-V561 HydrophobicContact CG-CG2 3.63Å; L542-V561 HydrophobicContact CD1-CB 3.91Å; L542-V561 HydrophobicContact CD1-CG1 3.54Å; L557-V561 PolarHBondContact O-N 2.99Å; L557-V561 VanDerWaalsContact O-N 3.13Å; A558-V561 PolarHBondContact O-N 3.41Å; V561-S563 VanDerWaalsContact C-N 3.29Å; V561-S563 PolarHBondContact O-N 3.25Å; V561-L564 WeakPolarHBondContact O-CB 3.4Å; V561-L564 PolarHBondContact O-N 3.5Å; V561-L564 VanDerWaalsContact O-N 3.11Å; V561-F565 HydrophobicContact CG1-CD2 4.36Å; V561-F565 HydrophobicContact CG1-CE2 3.86Å; V561-F565 HydrophobicContact CG1-CZ 4.34Å; V561-F565 PolarHBondContact O-N 3.2Å |
| 562 | L | 89.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 176.7 | -75.8 | 179.2 | 0 | 0 | 0 | 112.5 | T539 L542 K543 I546 A558 A559 L564 F565 T566 V572 V574 L606 | T539-L562 HydrophobicContact CG2-CD2 4.18Å; L542-L562 HydrophobicContact CB-CD1 3.91Å; L542-L562 HydrophobicContact CB-CD2 3.81Å; L542-L562 HydrophobicContact CB-CG 3.72Å; L542-L562 HydrophobicContact CD1-CD2 3.9Å; L542-L562 HydrophobicContact CD1-CG 4.03Å; K543-L562 HydrophobicContact CG-CD1 4.19Å; I546-L562 HydrophobicContact CD1-CD1 3.58Å; A558-L562 WeakPolarHBondContact O-CB 3.37Å; A558-L562 WeakPolarHBondContact O-CG 3.39Å; A558-L562 PolarHBondContact O-N 3.35Å; A559-L562 PolarHBondContact O-N 3.16Å; L562-L564 VanDerWaalsContact C-N 3.26Å; L562-L564 PolarHBondContact O-N 3.03Å; L562-F565 HydrophobicContact CD2-CD2 4.14Å; L562-F565 WeakPolarHBondContact O-CB 3.37Å; L562-F565 PolarHBondContact O-N 3.27Å; L562-F565 VanDerWaalsContact O-N 3.15Å; L562-T566 PolarHBondContact O-N 3.01Å; L562-T566 VanDerWaalsContact O-N 3.07Å; L562-V572 HydrophobicContact CB-CG1 4.16Å; L562-V572 HydrophobicContact CD1-CG1 4.16Å; L562-V572 HydrophobicContact CD2-CG1 3.84Å; L562-V572 HydrophobicContact CD2-CG2 4.36Å; L562-V572 HydrophobicContact CG-CG1 4.28Å; L562-V574 HydrophobicContact CD1-CG2 4.35Å; L562-L606 HydrophobicContact CB-CD1 3.84Å; L562-L606 HydrophobicContact CB-CD2 3.98Å; L562-L606 HydrophobicContact CB-CG 4.39Å; L562-L606 HydrophobicContact CD1-CD1 4.18Å |
| 563 | S | 87.3 | Confident | 83.6 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.2 | -25.9 | 175.7 | 75.1 | 0 | 0 | 0 | 0 | 113.4 | A559 S560 V561 T566 L567 | A559-S563 WeakPolarHBondContact O-CB 3.41Å; A559-S563 PolarHBondContact O-N 3.49Å; A559-S563 PolarHBondContact O-OG 3.02Å; S560-S563 PolarHBondContact O-N 2.92Å; S560-S563 PolarHBondContact O-OG 3.03Å; V561-S563 VanDerWaalsContact C-N 3.29Å; V561-S563 PolarHBondContact O-N 3.25Å; S563-T566 WeakPolarHBondContact CA-OG1 3.48Å; S563-T566 PolarHBondContact O-OG1 3.36Å; S563-L567 PolarHBondContact O-N 3.05Å |
| 564 | L | 84.4 | Confident | 83.6 | Confident | 22 Ų | 22 | 25.7 Ų | 25.7 | 12% | 0.115 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.5 | -37 | 171.1 | -68.8 | 172.2 | 0 | 0 | 0 | 111.3 | L519 W522 S560 V561 L562 L567 H568 W597 | L519-L564 HydrophobicContact CD2-CD1 3.78Å; W522-L564 HydrophobicContact CB-CD1 4.38Å; W522-L564 HydrophobicContact CD2-CD1 4.14Å; W522-L564 HydrophobicContact CG-CD1 3.95Å; W522-L564 HydrophobicContact CZ2-CB 4.09Å; S560-L564 PolarHBondContact O-N 3.46Å; V561-L564 WeakPolarHBondContact O-CB 3.4Å; V561-L564 PolarHBondContact O-N 3.5Å; V561-L564 VanDerWaalsContact O-N 3.11Å; L562-L564 VanDerWaalsContact C-N 3.26Å; L562-L564 PolarHBondContact O-N 3.03Å; L564-L567 WeakPolarHBondContact O-CB 3.33Å; L564-L567 PolarHBondContact O-N 3.5Å; L564-H568 PolarHBondContact O-N 3.34Å; L564-H568 PolarHBondContact O-ND1 3.22Å; L564-W597 HydrophobicContact CD1-CH2 3.95Å; L564-W597 HydrophobicContact CD1-CZ2 3.95Å; L564-W597 HydrophobicContact CD2-CH2 3.65Å; L564-W597 HydrophobicContact CD2-CZ2 3.98Å; L564-W597 HydrophobicContact CG-CH2 3.7Å; L564-W597 HydrophobicContact CG-CZ2 4.16Å |
| 565 | F | 85.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.7 | -71.9 | -43.8 | 0 | 0 | 0 | 111.7 | F489 W522 L535 F538 T539 L542 V561 L562 L567 H568 G569 V570 V572 | F489-F565 HydrophobicContact CE1-CE2 4.18Å; F489-F565 AromaticContact CE1-CZ 3.97Å; F489-F565 HydrophobicContact CE1-CZ 3.97Å; F489-F565 HydrophobicContact CE2-CZ 4.26Å; F489-F565 HydrophobicContact CZ-CE2 4.16Å; F489-F565 AromaticContact CZ-CZ 3.53Å; F489-F565 HydrophobicContact CZ-CZ 3.53Å; W522-F565 AromaticContact CH2-CD1 3.51Å; W522-F565 HydrophobicContact CH2-CD1 3.51Å; W522-F565 AromaticContact CH2-CE1 3.37Å; W522-F565 HydrophobicContact CH2-CE1 3.37Å; W522-F565 HydrophobicContact CH2-CZ 4.38Å; W522-F565 HydrophobicContact CZ3-CD1 4.06Å; W522-F565 AromaticContact CZ3-CE1 3.47Å; W522-F565 HydrophobicContact CZ3-CE1 3.47Å; W522-F565 VanDerWaalsContact CZ3-CE1 3.47Å; W522-F565 HydrophobicContact CZ3-CZ 4.1Å; L535-F565 HydrophobicContact CD2-CD1 4.49Å; L535-F565 HydrophobicContact CD2-CE1 3.9Å; F538-F565 HydrophobicContact CB-CE2 4.35Å; F538-F565 HydrophobicContact CB-CZ 4.11Å; T539-F565 HydrophobicContact CG2-CD2 4.05Å; T539-F565 HydrophobicContact CG2-CE2 4.47Å; L542-F565 HydrophobicContact CD1-CE2 4.04Å; V561-F565 HydrophobicContact CG1-CD2 4.36Å; V561-F565 HydrophobicContact CG1-CE2 3.86Å; V561-F565 HydrophobicContact CG1-CZ 4.34Å; V561-F565 PolarHBondContact O-N 3.2Å; L562-F565 HydrophobicContact CD2-CD2 4.14Å; L562-F565 WeakPolarHBondContact O-CB 3.37Å; L562-F565 PolarHBondContact O-N 3.27Å; L562-F565 VanDerWaalsContact O-N 3.15Å; F565-L567 VanDerWaalsContact C-N 3.29Å; F565-L567 PolarHBondContact O-N 3.41Å; F565-H568 CarbonylContact O-C 3.59Å; F565-H568 PolarHBondContact O-N 3.22Å; F565-H568 VanDerWaalsContact O-N 3.09Å; F565-G569 PolarHBondContact O-N 2.98Å; F565-V570 HydrophobicContact CB-CB 3.93Å; F565-V570 HydrophobicContact CB-CG1 4.29Å; F565-V570 HydrophobicContact CB-CG2 4.27Å; F565-V570 HydrophobicContact CD1-CG2 4.43Å; F565-V570 WeakPolarHBondContact O-CB 3.31Å; F565-V570 PolarHBondContact O-N 2.9Å; F565-V572 HydrophobicContact CB-CG2 4.12Å |
| 566 | T | 81.9 | Confident | 83.1 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 13% | 0.129 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 176 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | L562 S563 H568 G569 V570 V572 L606 H609 | L562-T566 PolarHBondContact O-N 3.01Å; L562-T566 VanDerWaalsContact O-N 3.07Å; S563-T566 WeakPolarHBondContact CA-OG1 3.48Å; S563-T566 PolarHBondContact O-OG1 3.36Å; T566-H568 VanDerWaalsContact C-N 3.25Å; T566-H568 PolarHBondContact O-N 2.9Å; T566-G569 PolarHBondContact O-N 3.4Å; T566-G569 VanDerWaalsContact O-N 3.09Å; T566-V570 WeakPolarHBondContact CA-O 3.47Å; T566-V572 HydrophobicContact CG2-CB 3.59Å; T566-V572 HydrophobicContact CG2-CG2 3.7Å; T566-L606 HydrophobicContact CG2-CD2 3.86Å; T566-H609 VanDerWaalsContact CG2-CD2 3.44Å; T566-H609 WeakPolarHBondContact CG2-CD2 3.37Å |
| 567 | L | 75.7 | Confident | 82.8 | Confident | 117 Ų | 117 | 36.4 Ų | 36.4 | 61% | 0.613 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -62 | -31.1 | 176.1 | -166.9 | 75 | 0 | 0 | 0 | 113.1 | S563 L564 F565 G569 T707 | S563-L567 PolarHBondContact O-N 3.05Å; L564-L567 WeakPolarHBondContact O-CB 3.33Å; L564-L567 PolarHBondContact O-N 3.5Å; F565-L567 VanDerWaalsContact C-N 3.29Å; F565-L567 PolarHBondContact O-N 3.41Å; L567-G569 VanDerWaalsContact C-N 3.29Å; L567-T707 HydrophobicContact CD2-CG2 4.16Å |
| 568 | H | 73.8 | Confident | 82.5 | Confident | 80 Ų | 80 | 39 Ų | 39 | 37% | 0.37 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 13.9 | 177.7 | -65.5 | 73.8 | 0 | 0 | 0 | 112.9 | W522 V529 L564 F565 T566 | W522-H568 AromaticContact CZ2-CE1 3.81Å; W522-H568 AromaticContact CZ2-ND1 3.81Å; W522-H568 AromaticContact NE1-CE1 3.67Å; V529-H568 HydrophobicContact CG1-CB 3.85Å; L564-H568 PolarHBondContact O-N 3.34Å; L564-H568 PolarHBondContact O-ND1 3.22Å; F565-H568 CarbonylContact O-C 3.59Å; F565-H568 PolarHBondContact O-N 3.22Å; F565-H568 VanDerWaalsContact O-N 3.09Å; T566-H568 VanDerWaalsContact C-N 3.25Å; T566-H568 PolarHBondContact O-N 2.9Å |
| 569 | G | 71 | Confident | 82.3 | Confident | 71 Ų | 71 | 39 Ų | 39 | 73% | 0.732 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 18 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F565 T566 L567 | F565-G569 PolarHBondContact O-N 2.98Å; T566-G569 PolarHBondContact O-N 3.4Å; T566-G569 VanDerWaalsContact O-N 3.09Å; L567-G569 VanDerWaalsContact C-N 3.29Å |
| 570 | V | 80 | Confident | 82 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | trans | -83.7 | 131.4 | 170.2 | -177.6 | 0 | 0 | 0 | 0 | 109 | L535 E536 T539 F565 T566 V572 | L535-V570 HydrophobicContact CB-CG2 3.91Å; L535-V570 HydrophobicContact CD1-CG2 3.9Å; E536-V570 HydrophobicContact CG-CG1 4.36Å; T539-V570 HydrophobicContact CG2-CG1 4.04Å; F565-V570 HydrophobicContact CB-CB 3.93Å; F565-V570 HydrophobicContact CB-CG1 4.29Å; F565-V570 HydrophobicContact CB-CG2 4.27Å; F565-V570 HydrophobicContact CD1-CG2 4.43Å; F565-V570 WeakPolarHBondContact O-CB 3.31Å; F565-V570 PolarHBondContact O-N 2.9Å; T566-V570 WeakPolarHBondContact CA-O 3.47Å; V570-V572 HydrophobicContact CG1-CG2 4.49Å; V570-V572 PolarHBondContact O-N 3.38Å | ||
| 571 | D | 74.4 | Confident | 81.7 | Confident | 50 Ų | 50 | 42 Ų | 42 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | trans | -76.7 | 115.7 | -178.1 | -166.5 | -3.6 | 0 | 0 | 0 | 111.4 | F573 | D571-F573 HydrophobicContact CB-CE2 4.49Å; D571-F573 WeakPolarHBondContact OD1-CE2 3.38Å; D571-F573 WeakPolarHBondContact OD1-CZ 3.34Å; D571-F573 WeakPolarHBondContact OD2-CE2 3.47Å; D571-F573 WeakPolarHBondContact OD2-CZ 2.99Å | ||
| 572 | V | 82.8 | Confident | 81.5 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | trans | -124.7 | 97.6 | -176.7 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | T539 L562 F565 T566 V570 V574 L606 | T539-V572 HydrophobicContact CG2-CG2 4.11Å; L562-V572 HydrophobicContact CB-CG1 4.16Å; L562-V572 HydrophobicContact CD1-CG1 4.16Å; L562-V572 HydrophobicContact CD2-CG1 3.84Å; L562-V572 HydrophobicContact CD2-CG2 4.36Å; L562-V572 HydrophobicContact CG-CG1 4.28Å; F565-V572 HydrophobicContact CB-CG2 4.12Å; T566-V572 HydrophobicContact CG2-CB 3.59Å; T566-V572 HydrophobicContact CG2-CG2 3.7Å; V570-V572 HydrophobicContact CG1-CG2 4.49Å; V570-V572 PolarHBondContact O-N 3.38Å; V572-V574 HydrophobicContact CG1-CG2 4.03Å; V572-L606 HydrophobicContact CG1-CD2 4.17Å | ||
| 573 | F | 80.3 | Confident | 81.2 | Confident | 126 Ų | 126 | 42.6 Ų | 42.6 | 55% | 0.553 | 24% | 0.239 | S | C | * | . | trans | -84.4 | 118.7 | 171.4 | -59.5 | -71 | 0 | 0 | 0 | 112 | D571 | D571-F573 HydrophobicContact CB-CE2 4.49Å; D571-F573 WeakPolarHBondContact OD1-CE2 3.38Å; D571-F573 WeakPolarHBondContact OD1-CZ 3.34Å; D571-F573 WeakPolarHBondContact OD2-CE2 3.47Å; D571-F573 WeakPolarHBondContact OD2-CZ 2.99Å | ||
| 574 | V | 82.6 | Confident | 80.8 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | trans | -130.4 | 135.8 | 169.3 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | K543 I546 L562 V572 V576 L579 L606 | K543-V574 HydrophobicContact CG-CG2 4.29Å; I546-V574 HydrophobicContact CG2-CG1 3.86Å; L562-V574 HydrophobicContact CD1-CG2 4.35Å; V572-V574 HydrophobicContact CG1-CG2 4.03Å; V574-V576 PolarHBondContact O-N 2.97Å; V574-L579 HydrophobicContact CB-CD1 4.19Å; V574-L579 HydrophobicContact CB-CG 4.38Å; V574-L579 HydrophobicContact CG1-CD1 4.11Å; V574-L579 HydrophobicContact CG1-CD2 3.86Å; V574-L579 HydrophobicContact CG1-CG 3.75Å; V574-L606 HydrophobicContact CG2-CD1 4.37Å | ||
| 575 | D | 81.4 | Confident | 80.1 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | trans | -61.8 | 130.9 | 179.3 | -177 | 12.9 | 0 | 0 | 0 | 112.1 | E577 N578 L579 | D575-E577 VanDerWaalsContact C-N 3.29Å; D575-E577 PolarHBondContact O-N 3.34Å; D575-E577 PolarHBondContact OD1-N 3.24Å; D575-N578 HydrophobicContact CB-CB 4.31Å; D575-N578 PolarHBondContact O-N 3.29Å; D575-L579 PolarHBondContact O-N 2.93Å; D575-L579 VanDerWaalsContact O-N 3.09Å | ||
| 576 | V | 82 | Confident | 79.1 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -34.3 | -179.9 | 176.8 | 0 | 0 | 0 | 0 | 111 | V574 L579 T580 L607 A610 L611 N622 L623 | V574-V576 PolarHBondContact O-N 2.97Å; V576-L579 PolarHBondContact O-N 3.36Å; V576-T580 HydrophobicContact CG1-CG2 4.1Å; V576-T580 WeakPolarHBondContact O-CB 3.42Å; V576-T580 VanDerWaalsContact O-CG2 3.25Å; V576-T580 WeakPolarHBondContact O-CG2 3.33Å; V576-T580 PolarHBondContact O-N 3.45Å; V576-T580 PolarHBondContact O-OG1 2.86Å; V576-L607 HydrophobicContact CG1-CD1 3.84Å; V576-A610 HydrophobicContact CG2-CB 3.98Å; V576-L611 HydrophobicContact CG1-CD2 4.42Å; V576-N622 HydrophobicContact CG1-CB 4.21Å; V576-L623 HydrophobicContact CG1-CD1 4.28Å |
| 577 | E | 80.9 | Confident | 78 | Confident | 134 Ų | 134 | 59.4 Ų | 59.4 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.9 | -42 | 176.9 | -67.7 | -166.9 | 177.3 | 0 | 0 | 111.5 | D575 T580 S581 | D575-E577 VanDerWaalsContact C-N 3.29Å; D575-E577 PolarHBondContact O-N 3.34Å; D575-E577 PolarHBondContact OD1-N 3.24Å; E577-T580 WeakPolarHBondContact CA-OG1 3.25Å; E577-T580 PolarHBondContact O-N 2.9Å; E577-T580 PolarHBondContact O-OG1 3.27Å; E577-S581 WeakPolarHBondContact O-CB 3.41Å; E577-S581 PolarHBondContact O-N 2.88Å |
| 578 | N | 82.1 | Confident | 77.1 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 175.6 | -72.3 | -21.6 | 0 | 0 | 0 | 111.2 | D575 T580 S581 L582 | D575-N578 HydrophobicContact CB-CB 4.31Å; D575-N578 PolarHBondContact O-N 3.29Å; N578-T580 PolarHBondContact O-N 3.47Å; N578-S581 PolarHBondContact O-N 3.4Å; N578-S581 PolarHBondContact O-OG 3.21Å; N578-L582 WeakPolarHBondContact O-CG 3.37Å; N578-L582 PolarHBondContact O-N 3.44Å |
| 579 | L | 85.4 | Confident | 76.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 177.4 | -69 | 173.8 | 0 | 0 | 0 | 112.3 | I546 V574 D575 V576 S581 L582 L583 L603 L606 L607 | I546-L579 HydrophobicContact CG2-CD2 4.48Å; V574-L579 HydrophobicContact CB-CD1 4.19Å; V574-L579 HydrophobicContact CB-CG 4.38Å; V574-L579 HydrophobicContact CG1-CD1 4.11Å; V574-L579 HydrophobicContact CG1-CD2 3.86Å; V574-L579 HydrophobicContact CG1-CG 3.75Å; D575-L579 PolarHBondContact O-N 2.93Å; D575-L579 VanDerWaalsContact O-N 3.09Å; V576-L579 PolarHBondContact O-N 3.36Å; L579-S581 VanDerWaalsContact C-N 3.33Å; L579-S581 PolarHBondContact O-N 3.15Å; L579-L582 PolarHBondContact O-N 2.78Å; L579-L583 WeakPolarHBondContact O-CG 3.14Å; L579-L583 PolarHBondContact O-N 3.02Å; L579-L603 HydrophobicContact CD2-CD2 3.72Å; L579-L606 HydrophobicContact CD1-CB 4.15Å; L579-L606 HydrophobicContact CD2-CB 4.33Å; L579-L606 HydrophobicContact CD2-CD1 4.46Å; L579-L607 HydrophobicContact CB-CD1 4.48Å; L579-L607 HydrophobicContact CD1-CB 4.27Å; L579-L607 HydrophobicContact CD1-CD1 4.46Å |
| 580 | T | 82.8 | Confident | 75.7 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.1 | -31.5 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | V576 E577 N578 K584 L607 L623 | V576-T580 HydrophobicContact CG1-CG2 4.1Å; V576-T580 WeakPolarHBondContact O-CB 3.42Å; V576-T580 VanDerWaalsContact O-CG2 3.25Å; V576-T580 WeakPolarHBondContact O-CG2 3.33Å; V576-T580 PolarHBondContact O-N 3.45Å; V576-T580 PolarHBondContact O-OG1 2.86Å; E577-T580 WeakPolarHBondContact CA-OG1 3.25Å; E577-T580 PolarHBondContact O-N 2.9Å; E577-T580 PolarHBondContact O-OG1 3.27Å; N578-T580 PolarHBondContact O-N 3.47Å; T580-K584 PolarHBondContact O-N 3.03Å; T580-L607 HydrophobicContact CG2-CD1 4.42Å; T580-L623 HydrophobicContact CG2-CD1 3.77Å; T580-L623 HydrophobicContact CG2-CG 3.88Å |
| 581 | S | 83.6 | Confident | 75.1 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 172.7 | 81.6 | 0 | 0 | 0 | 0 | 112 | E577 N578 L579 L583 K584 M585 | E577-S581 WeakPolarHBondContact O-CB 3.41Å; E577-S581 PolarHBondContact O-N 2.88Å; N578-S581 PolarHBondContact O-N 3.4Å; N578-S581 PolarHBondContact O-OG 3.21Å; L579-S581 VanDerWaalsContact C-N 3.33Å; L579-S581 PolarHBondContact O-N 3.15Å; S581-L583 PolarHBondContact O-N 3.24Å; S581-K584 WeakPolarHBondContact O-CB 3.45Å; S581-K584 PolarHBondContact O-N 3.41Å; S581-M585 PolarHBondContact O-N 3.39Å |
| 582 | L | 84.2 | Confident | 75.1 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 178.4 | -70.1 | 168.2 | 0 | 0 | 0 | 112 | I546 T552 A555 N578 L579 K584 M585 L603 | I546-L582 HydrophobicContact CG2-CD1 3.62Å; T552-L582 HydrophobicContact CG2-CD2 4.04Å; A555-L582 HydrophobicContact CB-CD1 3.85Å; A555-L582 HydrophobicContact CB-CD2 3.97Å; N578-L582 WeakPolarHBondContact O-CG 3.37Å; N578-L582 PolarHBondContact O-N 3.44Å; L579-L582 PolarHBondContact O-N 2.78Å; L582-K584 PolarHBondContact O-N 3.13Å; L582-M585 PolarHBondContact O-N 3.36Å; L582-L603 HydrophobicContact CB-CD1 4.28Å; L582-L603 HydrophobicContact CB-CD2 4.35Å; L582-L603 HydrophobicContact CD1-CD2 4.05Å |
| 583 | L | 83.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.9 | -23.2 | 174.4 | -71.7 | 169.6 | 0 | 0 | 0 | 113.2 | L579 S581 Y600 L603 L604 L607 L631 K634 | L579-L583 WeakPolarHBondContact O-CG 3.14Å; L579-L583 PolarHBondContact O-N 3.02Å; S581-L583 PolarHBondContact O-N 3.24Å; L583-Y600 HydrophobicContact CD2-CD1 3.74Å; L583-Y600 HydrophobicContact CD2-CE1 4.47Å; L583-Y600 HydrophobicContact CD2-CG 4.3Å; L583-L603 HydrophobicContact CD2-CB 3.97Å; L583-L603 HydrophobicContact CD2-CD1 4.39Å; L583-L603 HydrophobicContact CG-CB 4.49Å; L583-L604 HydrophobicContact CD1-CD2 4.38Å; L583-L604 HydrophobicContact CD2-CD2 4.25Å; L583-L604 HydrophobicContact CD2-CG 4.39Å; L583-L607 HydrophobicContact CD1-CD2 3.65Å; L583-L631 HydrophobicContact CB-CD2 4.33Å; L583-L631 HydrophobicContact CD1-CD1 4.28Å; L583-L631 HydrophobicContact CD2-CD2 4.2Å; L583-K634 PolarHBondContact O-NZ 3.34Å |
| 584 | K | 78.8 | Confident | 74.2 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -74.1 | -35.5 | 172.8 | -69.5 | 175 | -176.9 | 172.8 | 0 | 112.2 | T580 S581 L582 V627 | T580-K584 PolarHBondContact O-N 3.03Å; S581-K584 WeakPolarHBondContact O-CB 3.45Å; S581-K584 PolarHBondContact O-N 3.41Å; L582-K584 PolarHBondContact O-N 3.13Å; K584-V627 HydrophobicContact CD-CG2 3.96Å; K584-V627 HydrophobicContact CG-CG1 4.44Å; K584-V627 HydrophobicContact CG-CG2 3.73Å |
| 585 | M | 69.5 | Low | 73.6 | Confident | 115 Ų | 115 | 59.6 Ų | 59.6 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -66.5 | 148.2 | -175.6 | -67 | -62.9 | -67.6 | 0 | 0 | 110.6 | S581 L582 P587 Y600 | S581-M585 PolarHBondContact O-N 3.39Å; L582-M585 PolarHBondContact O-N 3.36Å; M585-P587 WeakPolarHBondContact O-CD 3.11Å; M585-Y600 PolarHBondContact O-OH 3.43Å |
| 586 | H | 64.9 | Low | 73 | Confident | 149 Ų | 149 | 57.9 Ų | 57.9 | 69% | 0.69 | 33% | 0.328 | S | S | * | . | trans | -93.5 | 105.1 | 163.8 | -74.7 | -79.6 | 0 | 0 | 0 | 107.1 | ||||
| 587 | P | 59.2 | Low | 72.7 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 20% | 0.201 | 33% | 0.332 | C | S | . | . | trans | -62.8 | 143.2 | -178.1 | -18.8 | 31.5 | 0 | 0 | 0 | 110.1 | P556 M585 L599 Y600 | P556-P587 HydrophobicContact CG-CB 4.4Å; P556-P587 HydrophobicContact CG-CG 4.25Å; M585-P587 WeakPolarHBondContact O-CD 3.11Å; P587-L599 HydrophobicContact CB-CD1 4.31Å; P587-L599 HydrophobicContact CB-CD2 3.93Å; P587-L599 HydrophobicContact CB-CG 4.42Å; P587-L599 HydrophobicContact CG-CD1 4.41Å; P587-L599 HydrophobicContact CG-CD2 3.59Å; P587-L599 HydrophobicContact CG-CG 4.03Å; P587-Y600 WeakPolarHBondContact CD-OH 3.39Å; P587-Y600 HydrophobicContact CG-CE1 4.17Å | ||
| 588 | S | 56.4 | Low | 72.7 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | trans | -62.5 | 134.3 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | L590 | S588-L590 PolarHBondContact O-N 2.89Å; S588-L590 WeakPolarHBondContact OG-CD1 3.19Å | ||
| 589 | P | 55.8 | Low | 72.8 | Confident | 109 Ų | 109 | 51.1 Ų | 51.1 | 71% | 0.708 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 5.1 | -176 | 27 | -35.1 | 0 | 0 | 0 | 114.6 | V591 | P589-V591 VanDerWaalsContact C-N 3.33Å; P589-V591 PolarHBondContact O-N 3.16Å |
| 590 | L | 59.6 | Low | 72.9 | Confident | 103 Ų | 103 | 51.2 Ų | 51.2 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -22.6 | -177 | -68.2 | 166.2 | 0 | 0 | 0 | 113.3 | L509 S588 | L509-L590 HydrophobicContact CD2-CB 4.1Å; S588-L590 PolarHBondContact O-N 2.89Å; S588-L590 WeakPolarHBondContact OG-CD1 3.19Å |
| 591 | V | 67.7 | Low | 73.1 | Confident | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -131 | 81.9 | -176.8 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | L509 L554 L557 P589 | L509-V591 HydrophobicContact CD2-CG2 3.62Å; L554-V591 HydrophobicContact CD2-CB 4.49Å; L554-V591 HydrophobicContact CD2-CG1 3.94Å; L554-V591 HydrophobicContact CD2-CG2 4.11Å; L557-V591 HydrophobicContact CD1-CG1 3.25Å; L557-V591 HydrophobicContact CG-CG1 4Å; P589-V591 VanDerWaalsContact C-N 3.33Å; P589-V591 PolarHBondContact O-N 3.16Å |
| 592 | L | 73.8 | Confident | 73.2 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 141.7 | 175.1 | -76.7 | 149.4 | 0 | 0 | 0 | 111.5 | K516 D647 | K516-L592 WeakPolarHBondContact CE-O 3.36Å; K516-L592 PolarHBondContact NZ-O 2.78Å; L592-D647 HydrophobicContact CD2-CB 3.48Å; L592-D647 VanDerWaalsContact CD2-CB 3.48Å; L592-D647 VanDerWaalsContact CD2-CG 3.48Å |
| 593 | P | 73.3 | Confident | 73.4 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 164.8 | 173.6 | 32.6 | -37.5 | 0 | 0 | 0 | 112.3 | L557 W597 | L557-P593 HydrophobicContact CD2-CB 3.93Å; P593-W597 HydrophobicContact CB-CB 3.78Å; P593-W597 HydrophobicContact CG-CB 4.22Å; P593-W597 VanDerWaalsContact CG-O 3.29Å; P593-W597 WeakPolarHBondContact CG-O 3.31Å |
| 594 | P | 72 | Confident | 73.7 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 158.2 | 177.3 | -20.1 | 32.1 | 0 | 0 | 0 | 112.7 | L519 G596 W597 | L519-P594 HydrophobicContact CB-CG 3.99Å; L519-P594 HydrophobicContact CD1-CG 4.2Å; P594-G596 PolarHBondContact O-N 2.73Å; P594-W597 PolarHBondContact O-N 3.03Å; P594-W597 VanDerWaalsContact O-N 3.12Å |
| 595 | P | 69.4 | Low | 74.2 | Confident | 110 Ų | 110 | 44.1 Ų | 44.1 | 71% | 0.714 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 126.7 | 176.7 | -21.9 | 32.2 | 0 | 0 | 0 | 111.8 | ||
| 596 | G | 69.5 | Low | 75.1 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 49% | 0.485 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 106.4 | -15.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P594 | P594-G596 PolarHBondContact O-N 2.73Š|
| 597 | W | 75.1 | Confident | 76.2 | Confident | 42 Ų | 42 | 31.7 Ų | 31.7 | 16% | 0.159 | 20% | 0.199 | C | C | . | . | trans | -104.5 | 133 | 175.2 | -69.6 | 82 | 0 | 0 | 0 | 111.2 | L519 E523 L564 P593 P594 | L519-W597 HydrophobicContact CD2-CZ2 4.27Å; E523-W597 PolarHBondContact OE1-NE1 2.96Å; L564-W597 HydrophobicContact CD1-CH2 3.95Å; L564-W597 HydrophobicContact CD1-CZ2 3.95Å; L564-W597 HydrophobicContact CD2-CH2 3.65Å; L564-W597 HydrophobicContact CD2-CZ2 3.98Å; L564-W597 HydrophobicContact CG-CH2 3.7Å; L564-W597 HydrophobicContact CG-CZ2 4.16Å; P593-W597 HydrophobicContact CB-CB 3.78Å; P593-W597 HydrophobicContact CG-CB 4.22Å; P593-W597 VanDerWaalsContact CG-O 3.29Å; P593-W597 WeakPolarHBondContact CG-O 3.31Å; P594-W597 PolarHBondContact O-N 3.03Å; P594-W597 VanDerWaalsContact O-N 3.12Å | ||
| 598 | G | 80.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -82.8 | 149.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y600 D601 L648 | G598-Y600 PolarHBondContact O-N 2.87Å; G598-D601 VanDerWaalsContact CA-CG 3.49Å; G598-D601 WeakPolarHBondContact CA-OD1 3.07Å; G598-D601 WeakPolarHBondContact CA-OD2 3.34Å; G598-D601 VanDerWaalsContact N-CG 3.33Å; G598-D601 PolarHBondContact N-OD2 3.5Å; G598-D601 PolarHBondContact O-N 3.23Å; G598-L648 CarbonylContact C-O 3.59Å | ||
| 599 | L | 84.6 | Confident | 78.9 | Confident | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.2 | -179.9 | -174 | 68.5 | 0 | 0 | 0 | 113.1 | P556 P587 D647 L648 | P556-L599 HydrophobicContact CB-CD1 3.72Å; P556-L599 HydrophobicContact CB-CG 4.35Å; P556-L599 VanDerWaalsContact CB-O 3.31Å; P556-L599 WeakPolarHBondContact CB-O 3.3Å; P556-L599 HydrophobicContact CG-CD1 3.82Å; P556-L599 HydrophobicContact CG-CG 4.29Å; P587-L599 HydrophobicContact CB-CD1 4.31Å; P587-L599 HydrophobicContact CB-CD2 3.93Å; P587-L599 HydrophobicContact CB-CG 4.42Å; P587-L599 HydrophobicContact CG-CD1 4.41Å; P587-L599 HydrophobicContact CG-CD2 3.59Å; P587-L599 HydrophobicContact CG-CG 4.03Å; L599-D647 WeakPolarHBondContact CB-O 3.39Å; L599-D647 PolarHBondContact N-O 3.13Å; L599-L648 HydrophobicContact CD2-CD2 4.09Å; L599-L648 PolarHBondContact N-O 3.12Å; L599-L648 VanDerWaalsContact N-O 3.13Å |
| 600 | Y | 86.7 | Confident | 80.3 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -1.7 | -178.9 | -63.2 | -69.4 | 0 | 0 | 0 | 114.2 | L583 M585 P587 G598 G602 L603 L604 L648 F649 | L583-Y600 HydrophobicContact CD2-CD1 3.74Å; L583-Y600 HydrophobicContact CD2-CE1 4.47Å; L583-Y600 HydrophobicContact CD2-CG 4.3Å; M585-Y600 PolarHBondContact O-OH 3.43Å; P587-Y600 WeakPolarHBondContact CD-OH 3.39Å; P587-Y600 HydrophobicContact CG-CE1 4.17Å; G598-Y600 PolarHBondContact O-N 2.87Å; Y600-G602 PolarHBondContact O-N 3.01Å; Y600-L603 HydrophobicContact CD1-CD1 4.03Å; Y600-L603 PolarHBondContact O-N 2.78Å; Y600-L604 WeakPolarHBondContact O-CB 3.43Å; Y600-L604 WeakPolarHBondContact O-CG 3.41Å; Y600-L604 PolarHBondContact O-N 2.86Å; Y600-L648 HydrophobicContact CD2-CD2 4.42Å; Y600-L648 HydrophobicContact CE2-CD2 3.84Å; Y600-L648 PolarHBondContact N-O 3.13Å; Y600-L648 VanDerWaalsContact N-O 3.12Å; Y600-F649 HydrophobicContact CD2-CD1 4.33Å; Y600-F649 AromaticContact CD2-CE1 3.64Å; Y600-F649 HydrophobicContact CD2-CE1 3.64Å; Y600-F649 HydrophobicContact CD2-CE2 4.28Å; Y600-F649 AromaticContact CD2-CZ 3.61Å; Y600-F649 HydrophobicContact CD2-CZ 3.61Å; Y600-F649 HydrophobicContact CE2-CZ 4.26Å; Y600-F649 AromaticContact CG-CE1 3.96Å; Y600-F649 HydrophobicContact CG-CE1 3.96Å; Y600-F649 HydrophobicContact CG-CZ 4.31Å |
| 601 | D | 86.6 | Confident | 81.2 | Confident | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -50.1 | -171.9 | -66.3 | 2.4 | 0 | 0 | 0 | 112.1 | G598 L603 L604 S605 F649 S650 G653 | G598-D601 VanDerWaalsContact CA-CG 3.49Å; G598-D601 WeakPolarHBondContact CA-OD1 3.07Å; G598-D601 WeakPolarHBondContact CA-OD2 3.34Å; G598-D601 VanDerWaalsContact N-CG 3.33Å; G598-D601 PolarHBondContact N-OD2 3.5Å; G598-D601 PolarHBondContact O-N 3.23Å; D601-L603 VanDerWaalsContact C-N 3.32Å; D601-L603 PolarHBondContact O-N 2.9Å; D601-L604 PolarHBondContact O-N 2.91Å; D601-S605 WeakPolarHBondContact O-CB 3.42Å; D601-S605 PolarHBondContact O-N 3.21Å; D601-F649 WeakPolarHBondContact OD1-CA 3.15Å; D601-S650 PolarHBondContact OD1-N 3.36Å; D601-S650 WeakPolarHBondContact OD2-CB 3.44Å; D601-S650 PolarHBondContact OD2-N 3.01Å; D601-S650 PolarHBondContact OD2-OG 2.71Å; D601-G653 VanDerWaalsContact OD1-CA 3.32Å; D601-G653 WeakPolarHBondContact OD1-CA 3.42Å |
| 602 | G | 86.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y600 S605 L606 | Y600-G602 PolarHBondContact O-N 3.01Å; G602-S605 PolarHBondContact O-N 3.18Å; G602-L606 WeakPolarHBondContact O-CB 3.28Å; G602-L606 WeakPolarHBondContact O-CG 3.41Å; G602-L606 PolarHBondContact O-N 3.43Å |
| 603 | L | 89.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 177.9 | -70.6 | 169.2 | 0 | 0 | 0 | 111.8 | A559 L579 L582 L583 Y600 D601 L607 | A559-L603 HydrophobicContact CB-CB 4.48Å; A559-L603 HydrophobicContact CB-CD2 3.58Å; A559-L603 HydrophobicContact CB-CG 3.76Å; L579-L603 HydrophobicContact CD2-CD2 3.72Å; L582-L603 HydrophobicContact CB-CD1 4.28Å; L582-L603 HydrophobicContact CB-CD2 4.35Å; L582-L603 HydrophobicContact CD1-CD2 4.05Å; L583-L603 HydrophobicContact CD2-CB 3.97Å; L583-L603 HydrophobicContact CD2-CD1 4.39Å; L583-L603 HydrophobicContact CG-CB 4.49Å; Y600-L603 HydrophobicContact CD1-CD1 4.03Å; Y600-L603 PolarHBondContact O-N 2.78Å; D601-L603 VanDerWaalsContact C-N 3.32Å; D601-L603 PolarHBondContact O-N 2.9Å; L603-L607 VanDerWaalsContact O-CB 3.23Å; L603-L607 WeakPolarHBondContact O-CB 3.48Å; L603-L607 PolarHBondContact O-N 2.82Å |
| 604 | L | 89.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69 | -40.5 | 176.6 | -71.6 | 170.1 | 0 | 0 | 0 | 111.7 | L583 Y600 D601 L607 L608 F649 F657 I660 | L583-L604 HydrophobicContact CD1-CD2 4.38Å; L583-L604 HydrophobicContact CD2-CD2 4.25Å; L583-L604 HydrophobicContact CD2-CG 4.39Å; Y600-L604 WeakPolarHBondContact O-CB 3.43Å; Y600-L604 WeakPolarHBondContact O-CG 3.41Å; Y600-L604 PolarHBondContact O-N 2.86Å; D601-L604 PolarHBondContact O-N 2.91Å; L604-L607 PolarHBondContact O-N 3.46Å; L604-L608 WeakPolarHBondContact O-CB 3.04Å; L604-L608 PolarHBondContact O-N 3.3Å; L604-F649 HydrophobicContact CD1-CD1 3.84Å; L604-F649 HydrophobicContact CD1-CE1 3.76Å; L604-F657 HydrophobicContact CD1-CB 4.05Å; L604-F657 HydrophobicContact CD2-CB 4.39Å; L604-F657 HydrophobicContact CD2-CD2 4.37Å; L604-I660 HydrophobicContact CD2-CD1 4.12Å; L604-I660 WeakPolarHBondContact O-CD1 3.47Å |
| 605 | S | 88.6 | Confident | 79.5 | Confident | 31 Ų | 31 | 31.3 Ų | 31.3 | 22% | 0.217 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 177.1 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | D601 G602 L607 L608 H609 | D601-S605 WeakPolarHBondContact O-CB 3.42Å; D601-S605 PolarHBondContact O-N 3.21Å; G602-S605 PolarHBondContact O-N 3.18Å; S605-L607 VanDerWaalsContact C-N 3.35Å; S605-L607 PolarHBondContact O-N 2.93Å; S605-L608 PolarHBondContact O-N 3.47Å; S605-H609 WeakPolarHBondContact O-CB 3.45Å; S605-H609 PolarHBondContact O-N 2.96Å |
| 606 | L | 88.8 | Confident | 78.2 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -38.9 | 173.4 | -72.2 | -178.9 | 0 | 0 | 0 | 112.7 | I546 A559 L562 T566 V572 V574 L579 G602 H609 A610 | I546-L606 HydrophobicContact CD1-CD1 4.09Å; A559-L606 HydrophobicContact CB-CD1 3.81Å; L562-L606 HydrophobicContact CB-CD1 3.84Å; L562-L606 HydrophobicContact CB-CD2 3.98Å; L562-L606 HydrophobicContact CB-CG 4.39Å; L562-L606 HydrophobicContact CD1-CD1 4.18Å; T566-L606 HydrophobicContact CG2-CD2 3.86Å; V572-L606 HydrophobicContact CG1-CD2 4.17Å; V574-L606 HydrophobicContact CG2-CD1 4.37Å; L579-L606 HydrophobicContact CD1-CB 4.15Å; L579-L606 HydrophobicContact CD2-CB 4.33Å; L579-L606 HydrophobicContact CD2-CD1 4.46Å; G602-L606 WeakPolarHBondContact O-CB 3.28Å; G602-L606 WeakPolarHBondContact O-CG 3.41Å; G602-L606 PolarHBondContact O-N 3.43Å; L606-H609 PolarHBondContact O-N 3.49Å; L606-A610 WeakPolarHBondContact O-CB 3.04Å; L606-A610 PolarHBondContact O-N 2.91Å |
| 607 | L | 88.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -42.1 | 175.9 | 179.6 | 62.3 | 0 | 0 | 0 | 111.3 | V576 L579 T580 L583 L603 L604 S605 H609 A610 L611 L623 I660 | V576-L607 HydrophobicContact CG1-CD1 3.84Å; L579-L607 HydrophobicContact CB-CD1 4.48Å; L579-L607 HydrophobicContact CD1-CB 4.27Å; L579-L607 HydrophobicContact CD1-CD1 4.46Å; T580-L607 HydrophobicContact CG2-CD1 4.42Å; L583-L607 HydrophobicContact CD1-CD2 3.65Å; L603-L607 VanDerWaalsContact O-CB 3.23Å; L603-L607 WeakPolarHBondContact O-CB 3.48Å; L603-L607 PolarHBondContact O-N 2.82Å; L604-L607 PolarHBondContact O-N 3.46Å; S605-L607 VanDerWaalsContact C-N 3.35Å; S605-L607 PolarHBondContact O-N 2.93Å; L607-H609 VanDerWaalsContact C-N 3.34Å; L607-A610 PolarHBondContact O-N 3.41Å; L607-L611 HydrophobicContact CD1-CD1 3.95Å; L607-L611 HydrophobicContact CD1-CG 4.02Å; L607-L611 HydrophobicContact CG-CD1 3.87Å; L607-L611 HydrophobicContact CG-CG 4.36Å; L607-L611 WeakPolarHBondContact O-CB 3.49Å; L607-L611 WeakPolarHBondContact O-CG 3.25Å; L607-L611 PolarHBondContact O-N 3.13Å; L607-L623 HydrophobicContact CD1-CD1 3.91Å; L607-L623 HydrophobicContact CD2-CD1 4.06Å; L607-L623 HydrophobicContact CG-CD1 4.39Å; L607-I660 HydrophobicContact CB-CD1 4.09Å; L607-I660 HydrophobicContact CD2-CD1 3.91Å; L607-I660 HydrophobicContact CG-CD1 3.96Å |
| 608 | L | 86.9 | Confident | 75.5 | Confident | 38 Ų | 38 | 35.2 Ų | 35.2 | 20% | 0.199 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 174.5 | 177.6 | 59.4 | 0 | 0 | 0 | 110.9 | L604 S605 L611 S612 I660 | L604-L608 WeakPolarHBondContact O-CB 3.04Å; L604-L608 PolarHBondContact O-N 3.3Å; S605-L608 PolarHBondContact O-N 3.47Å; L608-L611 PolarHBondContact O-N 3.16Å; L608-S612 VanDerWaalsContact O-CB 3.29Å; L608-S612 WeakPolarHBondContact O-CB 3.45Å; L608-S612 PolarHBondContact O-N 3.39Å; L608-S612 PolarHBondContact O-OG 3.05Å; L608-I660 HydrophobicContact CB-CD1 4.1Å; L608-I660 HydrophobicContact CB-CG1 3.73Å; L608-I660 HydrophobicContact CD1-CG1 3.87Å; L608-I660 HydrophobicContact CG-CG1 4.36Å |
| 609 | H | 85.4 | Confident | 73.9 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.5 | -51.4 | 177.1 | -178.3 | 58.7 | 0 | 0 | 0 | 111.5 | T566 S605 L606 L607 L611 S612 E613 | T566-H609 VanDerWaalsContact CG2-CD2 3.44Å; T566-H609 WeakPolarHBondContact CG2-CD2 3.37Å; S605-H609 WeakPolarHBondContact O-CB 3.45Å; S605-H609 PolarHBondContact O-N 2.96Å; L606-H609 PolarHBondContact O-N 3.49Å; L607-H609 VanDerWaalsContact C-N 3.34Å; H609-L611 VanDerWaalsContact C-N 3.34Å; H609-L611 PolarHBondContact O-N 3.35Å; H609-S612 WeakPolarHBondContact CA-OG 3.5Å; H609-S612 PolarHBondContact O-N 2.96Å; H609-S612 VanDerWaalsContact O-N 3.09Å; H609-S612 PolarHBondContact O-OG 2.9Å; H609-E613 PolarHBondContact O-N 2.7Å; H609-E613 VanDerWaalsContact O-N 3.1Å |
| 610 | A | 84.4 | Confident | 72 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V576 L606 L607 S612 D614 | V576-A610 HydrophobicContact CG2-CB 3.98Å; L606-A610 WeakPolarHBondContact O-CB 3.04Å; L606-A610 PolarHBondContact O-N 2.91Å; L607-A610 PolarHBondContact O-N 3.41Å; A610-S612 VanDerWaalsContact C-N 3.33Å; A610-D614 PolarHBondContact O-N 3.32Å |
| 611 | L | 79.3 | Confident | 70.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.2 | -26.1 | 177.9 | -67.2 | 172.3 | 0 | 0 | 0 | 113.3 | V576 L607 L608 H609 V619 L623 I660 L663 | V576-L611 HydrophobicContact CG1-CD2 4.42Å; L607-L611 HydrophobicContact CD1-CD1 3.95Å; L607-L611 HydrophobicContact CD1-CG 4.02Å; L607-L611 HydrophobicContact CG-CD1 3.87Å; L607-L611 HydrophobicContact CG-CG 4.36Å; L607-L611 WeakPolarHBondContact O-CB 3.49Å; L607-L611 WeakPolarHBondContact O-CG 3.25Å; L607-L611 PolarHBondContact O-N 3.13Å; L608-L611 PolarHBondContact O-N 3.16Å; H609-L611 VanDerWaalsContact C-N 3.34Å; H609-L611 PolarHBondContact O-N 3.35Å; L611-V619 HydrophobicContact CD2-CG1 4.15Å; L611-L623 HydrophobicContact CD1-CD1 3.94Å; L611-L623 HydrophobicContact CD2-CD1 4.27Å; L611-I660 HydrophobicContact CD1-CG1 4.41Å; L611-I660 HydrophobicContact CD1-CG2 3.84Å; L611-L663 HydrophobicContact CB-CD2 3.64Å |
| 612 | S | 75.3 | Confident | 68.8 | Low | 57 Ų | 57 | 44.9 Ų | 44.9 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.6 | -30.7 | 178.3 | 70 | 0 | 0 | 0 | 0 | 113.2 | L608 H609 A610 | L608-S612 VanDerWaalsContact O-CB 3.29Å; L608-S612 WeakPolarHBondContact O-CB 3.45Å; L608-S612 PolarHBondContact O-N 3.39Å; L608-S612 PolarHBondContact O-OG 3.05Å; H609-S612 WeakPolarHBondContact CA-OG 3.5Å; H609-S612 PolarHBondContact O-N 2.96Å; H609-S612 VanDerWaalsContact O-N 3.09Å; H609-S612 PolarHBondContact O-OG 2.9Å; A610-S612 VanDerWaalsContact C-N 3.33Å |
| 613 | E | 70.2 | Confident | 67.9 | Low | 56 Ų | 56 | 45.6 Ų | 45.6 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -82.1 | -20.4 | 176.1 | -72.5 | -61 | 148.9 | 0 | 0 | 113 | R46 H609 D615 | R46-E613 IonicContact CZ-OE2 3.52Å; R46-E613 IonicContact NH1-OE1 2.93Å; R46-E613 PolarHBondContact NH1-OE1 3.34Å; R46-E613 IonicContact NH1-OE2 3.42Å; R46-E613 PolarHBondContact NH1-OE2 2.88Å; H609-E613 PolarHBondContact O-N 2.7Å; H609-E613 VanDerWaalsContact O-N 3.1Å; E613-D615 VanDerWaalsContact C-N 3.34Å; E613-D615 PolarHBondContact O-N 3.15Å |
| 614 | D | 60.8 | Low | 67 | Low | 59 Ų | 59 | 48.7 Ų | 48.7 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | trans | -75.6 | 81.1 | 174.9 | -111.8 | -11.8 | 0 | 0 | 0 | 111.7 | A610 N616 V619 K667 | A610-D614 PolarHBondContact O-N 3.32Å; D614-N616 PolarHBondContact O-N 3.27Å; D614-V619 HydrophobicContact CB-CG2 4.45Å; D614-K667 PolarHBondContact O-NZ 3.12Å; D614-K667 VanDerWaalsContact O-NZ 3.1Å | ||
| 615 | D | 44.5 | Very low | 66.3 | Low | 132 Ų | 132 | 53.6 Ų | 53.6 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | trans | -75.6 | -4 | 173.7 | -96.3 | -19.9 | 0 | 0 | 0 | 113.3 | E613 | E613-D615 VanDerWaalsContact C-N 3.34Å; E613-D615 PolarHBondContact O-N 3.15Å | ||
| 616 | N | 41.9 | Very low | 65.8 | Low | 101 Ų | 101 | 58.2 Ų | 58.2 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -91.4 | 145.8 | 179.3 | -78.9 | -32.4 | 0 | 0 | 0 | 112.9 | D614 S618 | D614-N616 PolarHBondContact O-N 3.27Å; N616-S618 VanDerWaalsContact C-N 3.27Å; N616-S618 PolarHBondContact O-N 2.92Å |
| 617 | S | 40.7 | Very low | 65.4 | Low | 129 Ų | 129 | 58.2 Ų | 58.2 | 90% | 0.902 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -63.1 | 40.2 | -165.3 | 54.5 | 0 | 0 | 0 | 0 | 118.7 | ||
| 618 | S | 46.8 | Very low | 65.2 | Low | 51 Ų | 51 | 59 Ų | 59 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | trans | -145.4 | 32.5 | 178.7 | 68.9 | 0 | 0 | 0 | 0 | 115.8 | N616 S620 S621 | N616-S618 VanDerWaalsContact C-N 3.27Å; N616-S618 PolarHBondContact O-N 2.92Å; S618-S620 PolarHBondContact O-N 3.17Å; S618-S621 WeakPolarHBondContact CB-OG 3.44Å; S618-S621 PolarHBondContact O-N 3.14Å; S618-S621 PolarHBondContact O-OG 3.3Å | ||
| 619 | V | 47.3 | Very low | 65.1 | Low | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.3 | -26.2 | 172.1 | 174 | 0 | 0 | 0 | 0 | 112.5 | L611 D614 S621 N622 K667 | L611-V619 HydrophobicContact CD2-CG1 4.15Å; D614-V619 HydrophobicContact CB-CG2 4.45Å; V619-S621 VanDerWaalsContact C-N 3.27Å; V619-S621 PolarHBondContact O-N 3.48Å; V619-N622 PolarHBondContact O-N 3.22Å; V619-K667 HydrophobicContact CB-CD 3.62Å; V619-K667 HydrophobicContact CG1-CD 3.89Å; V619-K667 HydrophobicContact CG2-CD 3.74Å |
| 620 | S | 45.4 | Very low | 65 | Low | 88 Ų | 88 | 60.4 Ų | 60.4 | 62% | 0.615 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.8 | -14.5 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | S618 | S618-S620 PolarHBondContact O-N 3.17Å |
| 621 | S | 50.6 | Low | 65.2 | Low | 84 Ų | 84 | 59.7 Ų | 59.7 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -93.2 | -18.4 | 173.8 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | S618 V619 | S618-S621 WeakPolarHBondContact CB-OG 3.44Å; S618-S621 PolarHBondContact O-N 3.14Å; S618-S621 PolarHBondContact O-OG 3.3Å; V619-S621 VanDerWaalsContact C-N 3.27Å; V619-S621 PolarHBondContact O-N 3.48Å |
| 622 | N | 54.3 | Low | 65.5 | Low | 45 Ų | 45 | 59.7 Ų | 59.7 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -92.7 | -31.5 | -165.7 | -66.4 | -3.7 | 0 | 0 | 0 | 113.7 | V576 V619 | V576-N622 HydrophobicContact CG1-CB 4.21Å; V619-N622 PolarHBondContact O-N 3.22Å |
| 623 | L | 66.9 | Low | 66 | Low | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -94.9 | 113 | 170.8 | -119.2 | 95.8 | 0 | 0 | 0 | 111.3 | V576 T580 L607 L611 P625 F628 I664 | V576-L623 HydrophobicContact CG1-CD1 4.28Å; T580-L623 HydrophobicContact CG2-CD1 3.77Å; T580-L623 HydrophobicContact CG2-CG 3.88Å; L607-L623 HydrophobicContact CD1-CD1 3.91Å; L607-L623 HydrophobicContact CD2-CD1 4.06Å; L607-L623 HydrophobicContact CG-CD1 4.39Å; L611-L623 HydrophobicContact CD1-CD1 3.94Å; L611-L623 HydrophobicContact CD2-CD1 4.27Å; L623-P625 WeakPolarHBondContact O-CD 3.3Å; L623-F628 HydrophobicContact CD2-CB 4.19Å; L623-F628 HydrophobicContact CD2-CD2 3.93Å; L623-F628 HydrophobicContact CD2-CG 4.44Å; L623-I664 HydrophobicContact CD2-CD1 3.95Å |
| 624 | N | 70.8 | Confident | 66.7 | Low | 66 Ų | 66 | 59.6 Ų | 59.6 | 35% | 0.353 | 35% | 0.345 | S | S | . | . | trans | -61.3 | 123.4 | 174.7 | -176.1 | -38.9 | 0 | 0 | 0 | 110.3 | L626 V627 F628 | N624-L626 PolarHBondContact O-N 2.92Å; N624-L626 WeakPolarHBondContact OD1-CB 3.28Å; N624-L626 PolarHBondContact OD1-N 3.33Å; N624-V627 HydrophobicContact CB-CG2 3.92Å; N624-V627 WeakPolarHBondContact O-CB 3.4Å; N624-V627 PolarHBondContact O-N 2.93Å; N624-F628 PolarHBondContact O-N 3.14Å | ||
| 625 | P | 76.1 | Confident | 67.9 | Low | 104 Ų | 104 | 56.8 Ų | 56.8 | 68% | 0.675 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -54.5 | -29.5 | -178 | -28.6 | 35.1 | 0 | 0 | 0 | 114.4 | L623 L629 | L623-P625 WeakPolarHBondContact O-CD 3.3Å; P625-L629 WeakPolarHBondContact O-CB 3.36Å; P625-L629 PolarHBondContact O-N 2.91Å |
| 626 | L | 78.1 | Confident | 69.8 | Low | 128 Ų | 128 | 50.6 Ų | 50.6 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.6 | -36.2 | 176.9 | -63.2 | 174.2 | 0 | 0 | 0 | 112.3 | N624 D630 | N624-L626 PolarHBondContact O-N 2.92Å; N624-L626 WeakPolarHBondContact OD1-CB 3.28Å; N624-L626 PolarHBondContact OD1-N 3.33Å; L626-D630 WeakPolarHBondContact O-CB 3.5Å; L626-D630 PolarHBondContact O-N 3.23Å |
| 627 | V | 79.8 | Confident | 71.7 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 176.3 | -179.8 | 0 | 0 | 0 | 0 | 110 | K584 N624 L629 D630 L631 | K584-V627 HydrophobicContact CD-CG2 3.96Å; K584-V627 HydrophobicContact CG-CG1 4.44Å; K584-V627 HydrophobicContact CG-CG2 3.73Å; N624-V627 HydrophobicContact CB-CG2 3.92Å; N624-V627 WeakPolarHBondContact O-CB 3.4Å; N624-V627 PolarHBondContact O-N 2.93Å; V627-L629 VanDerWaalsContact C-N 3.31Å; V627-L629 PolarHBondContact O-N 3.35Å; V627-D630 PolarHBondContact O-N 2.78Å; V627-D630 VanDerWaalsContact O-N 3.16Å; V627-L631 HydrophobicContact CG1-CD1 4.23Å; V627-L631 HydrophobicContact CG1-CG 4.48Å; V627-L631 WeakPolarHBondContact O-CG 3.5Å; V627-L631 PolarHBondContact O-N 3.5Å |
| 628 | F | 84.8 | Confident | 73.5 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 179.4 | -168.1 | -115 | 0 | 0 | 0 | 111.5 | L623 N624 L631 W632 F657 A661 I664 F665 L675 | L623-F628 HydrophobicContact CD2-CB 4.19Å; L623-F628 HydrophobicContact CD2-CD2 3.93Å; L623-F628 HydrophobicContact CD2-CG 4.44Å; N624-F628 PolarHBondContact O-N 3.14Å; F628-L631 PolarHBondContact O-N 3.49Å; F628-W632 AromaticContact CD1-CD1 3.92Å; F628-W632 AromaticContact CD1-NE1 3.8Å; F628-W632 AromaticContact CE1-CD1 3.72Å; F628-W632 AromaticContact CE1-NE1 3.11Å; F628-W632 AromaticContact CE2-NE1 3.88Å; F628-W632 HydrophobicContact CZ-CZ2 4.46Å; F628-W632 AromaticContact CZ-NE1 3.17Å; F628-W632 VanDerWaalsContact O-CD1 3.22Å; F628-W632 PolarHBondContact O-N 2.94Å; F628-W632 VanDerWaalsContact O-N 3.13Å; F628-F657 HydrophobicContact CE2-CE2 4.18Å; F628-A661 HydrophobicContact CE2-CB 4.23Å; F628-A661 HydrophobicContact CZ-CB 3.76Å; F628-I664 HydrophobicContact CD2-CD1 3.93Å; F628-I664 HydrophobicContact CE2-CD1 3.75Å; F628-I664 HydrophobicContact CZ-CD1 4.25Å; F628-F665 AromaticContact CE1-CE1 3.73Å; F628-F665 HydrophobicContact CE1-CE1 3.73Å; F628-F665 HydrophobicContact CE1-CZ 4.34Å; F628-F665 AromaticContact CZ-CE1 4Å; F628-F665 HydrophobicContact CZ-CE1 4Å; F628-L675 HydrophobicContact CD1-CD1 3.98Å; F628-L675 HydrophobicContact CE1-CD1 3.6Å |
| 629 | L | 84.3 | Confident | 74.9 | Confident | 50 Ų | 50 | 41.5 Ų | 41.5 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -38.9 | 174 | -173.1 | 65.7 | 0 | 0 | 0 | 112.8 | P625 V627 W632 K633 L675 | P625-L629 WeakPolarHBondContact O-CB 3.36Å; P625-L629 PolarHBondContact O-N 2.91Å; V627-L629 VanDerWaalsContact C-N 3.31Å; V627-L629 PolarHBondContact O-N 3.35Å; L629-W632 PolarHBondContact O-N 2.83Å; L629-K633 WeakPolarHBondContact O-CG 3.37Å; L629-K633 PolarHBondContact O-N 2.92Å; L629-L675 HydrophobicContact CD1-CD2 3.76Å |
| 630 | D | 83.8 | Confident | 76 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.1 | -172.6 | 61.2 | 0 | 0 | 0 | 111.9 | L626 V627 K633 K634 | L626-D630 WeakPolarHBondContact O-CB 3.5Å; L626-D630 PolarHBondContact O-N 3.23Å; V627-D630 PolarHBondContact O-N 2.78Å; V627-D630 VanDerWaalsContact O-N 3.16Å; D630-K633 WeakPolarHBondContact O-CB 3.46Å; D630-K633 PolarHBondContact O-N 3.42Å; D630-K634 WeakPolarHBondContact O-CG 3.35Å; D630-K634 PolarHBondContact O-N 3.26Å; D630-K634 WeakPolarHBondContact OD2-CE 3.43Å; D630-K634 IonicContact OD2-NZ 3.07Å; D630-K634 PolarHBondContact OD2-NZ 2.89Å |
| 631 | L | 86.7 | Confident | 76.8 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 174.3 | -72.2 | 170.6 | 0 | 0 | 0 | 112 | L583 V627 F628 K633 K634 V635 F657 | L583-L631 HydrophobicContact CB-CD2 4.33Å; L583-L631 HydrophobicContact CD1-CD1 4.28Å; L583-L631 HydrophobicContact CD2-CD2 4.2Å; V627-L631 HydrophobicContact CG1-CD1 4.23Å; V627-L631 HydrophobicContact CG1-CG 4.48Å; V627-L631 WeakPolarHBondContact O-CG 3.5Å; V627-L631 PolarHBondContact O-N 3.5Å; F628-L631 PolarHBondContact O-N 3.49Å; L631-K633 VanDerWaalsContact C-N 3.25Å; L631-K633 PolarHBondContact O-N 3.38Å; L631-K634 PolarHBondContact O-N 3.4Å; L631-V635 WeakPolarHBondContact O-CG2 3.47Å; L631-V635 PolarHBondContact O-N 3.44Å; L631-F657 HydrophobicContact CB-CD2 4.36Å; L631-F657 HydrophobicContact CB-CE2 3.68Å; L631-F657 HydrophobicContact CB-CZ 4.38Å; L631-F657 HydrophobicContact CD1-CE2 4.43Å |
| 632 | W | 87.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57 | -39.3 | 174.4 | -83.6 | 106.6 | 0 | 0 | 0 | 112.7 | F628 L629 G636 F657 L658 A661 C683 T686 L687 L723 | F628-W632 AromaticContact CD1-CD1 3.92Å; F628-W632 AromaticContact CD1-NE1 3.8Å; F628-W632 AromaticContact CE1-CD1 3.72Å; F628-W632 AromaticContact CE1-NE1 3.11Å; F628-W632 AromaticContact CE2-NE1 3.88Å; F628-W632 HydrophobicContact CZ-CZ2 4.46Å; F628-W632 AromaticContact CZ-NE1 3.17Å; F628-W632 VanDerWaalsContact O-CD1 3.22Å; F628-W632 PolarHBondContact O-N 2.94Å; F628-W632 VanDerWaalsContact O-N 3.13Å; L629-W632 PolarHBondContact O-N 2.83Å; W632-G636 PolarHBondContact O-N 2.86Å; W632-F657 AromaticContact CD1-CZ 3.97Å; W632-F657 AromaticContact CD2-CE1 3.84Å; W632-F657 HydrophobicContact CD2-CE1 3.84Å; W632-F657 AromaticContact CD2-CZ 3.52Å; W632-F657 HydrophobicContact CD2-CZ 3.52Å; W632-F657 AromaticContact CE2-CE1 3.92Å; W632-F657 AromaticContact CE2-CZ 3.53Å; W632-F657 AromaticContact CE3-CE1 3.76Å; W632-F657 HydrophobicContact CE3-CE1 3.76Å; W632-F657 AromaticContact CE3-CZ 3.93Å; W632-F657 HydrophobicContact CE3-CZ 3.93Å; W632-F657 AromaticContact CG-CZ 3.82Å; W632-F657 HydrophobicContact CG-CZ 3.82Å; W632-F657 AromaticContact CH2-CE1 3.88Å; W632-F657 HydrophobicContact CH2-CE1 3.88Å; W632-F657 HydrophobicContact CH2-CZ 4.34Å; W632-F657 AromaticContact CZ2-CE1 3.96Å; W632-F657 HydrophobicContact CZ2-CE1 3.96Å; W632-F657 AromaticContact CZ2-CZ 3.97Å; W632-F657 HydrophobicContact CZ2-CZ 3.97Å; W632-F657 AromaticContact CZ3-CE1 3.79Å; W632-F657 HydrophobicContact CZ3-CE1 3.79Å; W632-F657 HydrophobicContact CZ3-CZ 4.32Å; W632-F657 AromaticContact NE1-CZ 3.79Å; W632-L658 HydrophobicContact CH2-CD2 3.97Å; W632-L658 HydrophobicContact CZ3-CD2 4.43Å; W632-A661 HydrophobicContact CZ2-CB 3.85Å; W632-C683 HydrophobicContact CD2-CB 3.95Å; W632-C683 HydrophobicContact CE3-CB 4.02Å; W632-C683 HydrophobicContact CG-CB 4.35Å; W632-C683 HydrophobicContact CZ3-CB 4.43Å; W632-T686 HydrophobicContact CE3-CG2 4.05Å; W632-T686 HydrophobicContact CZ3-CG2 3.89Å; W632-L687 HydrophobicContact CH2-CD1 4.3Å; W632-L687 HydrophobicContact CH2-CD2 3.75Å; W632-L687 HydrophobicContact CH2-CG 3.96Å; W632-L687 HydrophobicContact CZ3-CD2 4.01Å; W632-L687 HydrophobicContact CZ3-CG 3.99Å; W632-L723 HydrophobicContact CH2-CD1 4.35Å |
| 633 | K | 85.4 | Confident | 76.6 | Confident | 92 Ų | 92 | 46 Ų | 46 | 40% | 0.4 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.8 | -43 | 175.7 | -69.3 | 173.9 | -176.2 | 173.5 | 0 | 112.3 | L629 D630 L631 G636 S637 | L629-K633 WeakPolarHBondContact O-CG 3.37Å; L629-K633 PolarHBondContact O-N 2.92Å; D630-K633 WeakPolarHBondContact O-CB 3.46Å; D630-K633 PolarHBondContact O-N 3.42Å; L631-K633 VanDerWaalsContact C-N 3.25Å; L631-K633 PolarHBondContact O-N 3.38Å; K633-G636 PolarHBondContact O-N 3.48Å; K633-S637 VanDerWaalsContact O-CB 3.29Å; K633-S637 WeakPolarHBondContact O-CB 3.47Å; K633-S637 PolarHBondContact O-N 3.35Å; K633-S637 PolarHBondContact O-OG 2.75Å |
| 634 | K | 85 | Confident | 75.8 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 8% | 0.078 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.1 | -52.2 | 176.6 | -78.2 | 171.1 | 168.7 | 157.9 | 0 | 110.6 | L583 D630 L631 S637 S638 F649 | L583-K634 PolarHBondContact O-NZ 3.34Å; D630-K634 WeakPolarHBondContact O-CG 3.35Å; D630-K634 PolarHBondContact O-N 3.26Å; D630-K634 WeakPolarHBondContact OD2-CE 3.43Å; D630-K634 IonicContact OD2-NZ 3.07Å; D630-K634 PolarHBondContact OD2-NZ 2.89Å; L631-K634 PolarHBondContact O-N 3.4Å; K634-S637 PolarHBondContact O-N 2.99Å; K634-S637 PolarHBondContact O-OG 2.93Å; K634-S638 WeakPolarHBondContact O-CB 3.46Å; K634-S638 PolarHBondContact O-N 3.28Å; K634-F649 HydrophobicContact CB-CE2 4.1Å; K634-F649 HydrophobicContact CB-CZ 4.09Å |
| 635 | V | 86.2 | Confident | 75 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 177.3 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | L631 S637 S638 L639 F649 F657 T686 | L631-V635 WeakPolarHBondContact O-CG2 3.47Å; L631-V635 PolarHBondContact O-N 3.44Å; V635-S637 PolarHBondContact O-N 3.25Å; V635-S638 WeakPolarHBondContact O-CB 3.37Å; V635-S638 PolarHBondContact O-N 3.26Å; V635-L639 HydrophobicContact CG1-CD1 4.24Å; V635-L639 WeakPolarHBondContact O-CG 3.47Å; V635-L639 PolarHBondContact O-N 2.93Å; V635-L639 VanDerWaalsContact O-N 3.07Å; V635-F649 HydrophobicContact CG2-CD2 4.33Å; V635-F649 HydrophobicContact CG2-CE1 4.17Å; V635-F649 HydrophobicContact CG2-CE2 3.98Å; V635-F649 HydrophobicContact CG2-CZ 3.89Å; V635-F657 HydrophobicContact CB-CE1 4.44Å; V635-F657 HydrophobicContact CG1-CD1 4.48Å; V635-F657 HydrophobicContact CG2-CD1 4.01Å; V635-F657 HydrophobicContact CG2-CE1 4.13Å; V635-F657 HydrophobicContact CG2-CG 4.26Å; V635-T686 HydrophobicContact CB-CG2 4.49Å; V635-T686 HydrophobicContact CG1-CG2 3.8Å |
| 636 | G | 83.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W632 K633 L639 A640 T686 | W632-G636 PolarHBondContact O-N 2.86Å; K633-G636 PolarHBondContact O-N 3.48Å; G636-L639 PolarHBondContact O-N 3.33Å; G636-A640 WeakPolarHBondContact O-CB 3.45Å; G636-A640 PolarHBondContact O-N 2.91Å; G636-A640 VanDerWaalsContact O-N 3.12Å; G636-T686 WeakPolarHBondContact CA-OG1 3.33Å |
| 637 | S | 80.9 | Confident | 73.2 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | 176.5 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | K633 K634 V635 L639 A640 S641 | K633-S637 VanDerWaalsContact O-CB 3.29Å; K633-S637 WeakPolarHBondContact O-CB 3.47Å; K633-S637 PolarHBondContact O-N 3.35Å; K633-S637 PolarHBondContact O-OG 2.75Å; K634-S637 PolarHBondContact O-N 2.99Å; K634-S637 PolarHBondContact O-OG 2.93Å; V635-S637 PolarHBondContact O-N 3.25Å; S637-L639 VanDerWaalsContact C-N 3.29Å; S637-L639 PolarHBondContact O-N 3.02Å; S637-A640 PolarHBondContact O-N 2.75Å; S637-S641 PolarHBondContact O-N 2.49Å |
| 638 | S | 79.6 | Confident | 73.1 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -36 | 175.8 | -167.5 | 0 | 0 | 0 | 0 | 111.8 | K634 V635 | K634-S638 WeakPolarHBondContact O-CB 3.46Å; K634-S638 PolarHBondContact O-N 3.28Å; V635-S638 WeakPolarHBondContact O-CB 3.37Å; V635-S638 PolarHBondContact O-N 3.26Å |
| 639 | L | 76.2 | Confident | 73 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -80.8 | -16.7 | 176.9 | -64.9 | 175 | 0 | 0 | 0 | 113.4 | V635 G636 S637 I654 T686 R689 L690 L698 | V635-L639 HydrophobicContact CG1-CD1 4.24Å; V635-L639 WeakPolarHBondContact O-CG 3.47Å; V635-L639 PolarHBondContact O-N 2.93Å; V635-L639 VanDerWaalsContact O-N 3.07Å; G636-L639 PolarHBondContact O-N 3.33Å; S637-L639 VanDerWaalsContact C-N 3.29Å; S637-L639 PolarHBondContact O-N 3.02Å; L639-I654 HydrophobicContact CD2-CD1 4.09Å; L639-T686 HydrophobicContact CD1-CG2 3.92Å; L639-R689 PolarHBondContact O-NH2 3.22Å; L639-L690 HydrophobicContact CD1-CD1 4.37Å; L639-L690 HydrophobicContact CD1-CD2 3.71Å; L639-L690 HydrophobicContact CD1-CG 3.86Å; L639-L690 HydrophobicContact CD2-CD2 4.2Å; L639-L698 HydrophobicContact CD2-CD1 4Å |
| 640 | A | 71 | Confident | 72.9 | Confident | 50 Ų | 50 | 47.4 Ų | 47.4 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -90.1 | -21.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | G636 S637 | G636-A640 WeakPolarHBondContact O-CB 3.45Å; G636-A640 PolarHBondContact O-N 2.91Å; G636-A640 VanDerWaalsContact O-N 3.12Å; S637-A640 PolarHBondContact O-N 2.75Å |
| 641 | S | 60.6 | Low | 72.7 | Confident | 34 Ų | 34 | 46 Ų | 46 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | trans | -78.1 | 132.9 | -176.7 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | S637 T643 | S637-S641 PolarHBondContact O-N 2.49Å; S641-T643 VanDerWaalsContact C-N 3.25Å; S641-T643 WeakPolarHBondContact CB-O 3.48Å; S641-T643 PolarHBondContact O-N 3.32Å; S641-T643 PolarHBondContact OG-O 3.23Å | ||
| 642 | P | 51.8 | Low | 72.3 | Confident | 131 Ų | 131 | 48.3 Ų | 48.3 | 85% | 0.851 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -70.2 | -22.9 | 179.6 | 26.8 | -33.4 | 0 | 0 | 0 | 112.9 | ||
| 643 | T | 49.5 | Very low | 72.2 | Confident | 109 Ų | 109 | 48.3 Ų | 48.3 | 67% | 0.669 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -103.9 | 109.6 | 164.3 | 49.3 | 0 | 0 | 0 | 0 | 107.1 | S641 N645 | S641-T643 VanDerWaalsContact C-N 3.25Å; S641-T643 WeakPolarHBondContact CB-O 3.48Å; S641-T643 PolarHBondContact O-N 3.32Å; S641-T643 PolarHBondContact OG-O 3.23Å; T643-N645 PolarHBondContact O-N 3.25Å |
| 644 | P | 50.2 | Low | 72.3 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | trans | -61.9 | 127.5 | -176.2 | 9.8 | -14.8 | 0 | 0 | 0 | 109.9 | L646 | P644-L646 HydrophobicContact CB-CB 4.36Å; P644-L646 HydrophobicContact CB-CD1 3.65Å; P644-L646 HydrophobicContact CB-CG 3.75Å; P644-L646 HydrophobicContact CG-CD1 3.39Å; P644-L646 HydrophobicContact CG-CG 4.05Å; P644-L646 PolarHBondContact O-N 3.01Å | ||
| 645 | N | 53.4 | Low | 72.4 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | trans | -70.5 | 64.7 | 153.7 | -75 | -29.6 | 0 | 0 | 0 | 107.1 | T643 D647 L648 | T643-N645 PolarHBondContact O-N 3.25Å; N645-D647 PolarHBondContact O-N 3.45Å; N645-L648 HydrophobicContact CB-CD1 3.93Å; N645-L648 HydrophobicContact CB-CG 4.3Å; N645-L648 PolarHBondContact O-N 3.23Å; N645-L648 VanDerWaalsContact O-N 3.07Å | ||
| 646 | L | 53.7 | Low | 72.4 | Confident | 108 Ų | 108 | 47.7 Ų | 47.7 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -14.6 | 179.5 | -100 | 135.8 | 0 | 0 | 0 | 112.6 | P644 L648 | P644-L646 HydrophobicContact CB-CB 4.36Å; P644-L646 HydrophobicContact CB-CD1 3.65Å; P644-L646 HydrophobicContact CB-CG 3.75Å; P644-L646 HydrophobicContact CG-CD1 3.39Å; P644-L646 HydrophobicContact CG-CG 4.05Å; P644-L646 PolarHBondContact O-N 3.01Å; L646-L648 VanDerWaalsContact C-N 3.34Å |
| 647 | D | 63.2 | Low | 72.8 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17.8 | -179.8 | -60.3 | -23.7 | 0 | 0 | 0 | 113.2 | L592 L599 N645 | L592-D647 HydrophobicContact CD2-CB 3.48Å; L592-D647 VanDerWaalsContact CD2-CB 3.48Å; L592-D647 VanDerWaalsContact CD2-CG 3.48Å; L599-D647 WeakPolarHBondContact CB-O 3.39Å; L599-D647 PolarHBondContact N-O 3.13Å; N645-D647 PolarHBondContact O-N 3.45Å |
| 648 | L | 77.8 | Confident | 73.2 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.225 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -48.2 | -171.9 | -68 | 171.4 | 0 | 0 | 0 | 114.1 | G598 L599 Y600 N645 L646 | G598-L648 CarbonylContact C-O 3.59Å; L599-L648 HydrophobicContact CD2-CD2 4.09Å; L599-L648 PolarHBondContact N-O 3.12Å; L599-L648 VanDerWaalsContact N-O 3.13Å; Y600-L648 HydrophobicContact CD2-CD2 4.42Å; Y600-L648 HydrophobicContact CE2-CD2 3.84Å; Y600-L648 PolarHBondContact N-O 3.13Å; Y600-L648 VanDerWaalsContact N-O 3.12Å; N645-L648 HydrophobicContact CB-CD1 3.93Å; N645-L648 HydrophobicContact CB-CG 4.3Å; N645-L648 PolarHBondContact O-N 3.23Å; N645-L648 VanDerWaalsContact O-N 3.07Å; L646-L648 VanDerWaalsContact C-N 3.34Å |
| 649 | F | 82.6 | Confident | 73.7 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | trans | -142.3 | 133.5 | -176.7 | -55.7 | -79.8 | 0 | 0 | 0 | 110.6 | Y600 D601 L604 K634 V635 I654 | Y600-F649 HydrophobicContact CD2-CD1 4.33Å; Y600-F649 AromaticContact CD2-CE1 3.64Å; Y600-F649 HydrophobicContact CD2-CE1 3.64Å; Y600-F649 HydrophobicContact CD2-CE2 4.28Å; Y600-F649 AromaticContact CD2-CZ 3.61Å; Y600-F649 HydrophobicContact CD2-CZ 3.61Å; Y600-F649 HydrophobicContact CE2-CZ 4.26Å; Y600-F649 AromaticContact CG-CE1 3.96Å; Y600-F649 HydrophobicContact CG-CE1 3.96Å; Y600-F649 HydrophobicContact CG-CZ 4.31Å; D601-F649 WeakPolarHBondContact OD1-CA 3.15Å; L604-F649 HydrophobicContact CD1-CD1 3.84Å; L604-F649 HydrophobicContact CD1-CE1 3.76Å; K634-F649 HydrophobicContact CB-CE2 4.1Å; K634-F649 HydrophobicContact CB-CZ 4.09Å; V635-F649 HydrophobicContact CG2-CD2 4.33Å; V635-F649 HydrophobicContact CG2-CE1 4.17Å; V635-F649 HydrophobicContact CG2-CE2 3.98Å; V635-F649 HydrophobicContact CG2-CZ 3.89Å; F649-I654 HydrophobicContact CB-CG1 4.1Å | ||
| 650 | S | 82.1 | Confident | 74.3 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | trans | -88 | 178.6 | 164.9 | 78.8 | 0 | 0 | 0 | 0 | 111.6 | D601 D652 G653 I654 | D601-S650 PolarHBondContact OD1-N 3.36Å; D601-S650 WeakPolarHBondContact OD2-CB 3.44Å; D601-S650 PolarHBondContact OD2-N 3.01Å; D601-S650 PolarHBondContact OD2-OG 2.71Å; S650-D652 VanDerWaalsContact C-N 3.27Å; S650-D652 PolarHBondContact O-N 2.8Å; S650-D652 PolarHBondContact OG-N 2.98Å; S650-D652 VanDerWaalsContact OG-N 3.15Å; S650-G653 PolarHBondContact O-N 3.18Å; S650-G653 PolarHBondContact OG-N 2.85Å; S650-I654 WeakPolarHBondContact O-CG1 3.49Å; S650-I654 PolarHBondContact O-N 2.93Å | ||
| 651 | A | 80 | Confident | 75.2 | Confident | 28 Ų | 28 | 42 Ų | 42 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I654 Y655 L698 L716 | A651-I654 PolarHBondContact O-N 3.48Å; A651-Y655 WeakPolarHBondContact O-CB 3.29Å; A651-Y655 PolarHBondContact O-N 3.3Å; A651-L698 HydrophobicContact CB-CD2 4.25Å; A651-L716 HydrophobicContact CB-CD1 4.46Å |
| 652 | D | 79.2 | Confident | 76.5 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69 | -36 | 178.7 | -64.3 | -23.7 | 0 | 0 | 0 | 111.4 | S650 Y655 S656 L711 | S650-D652 VanDerWaalsContact C-N 3.27Å; S650-D652 PolarHBondContact O-N 2.8Å; S650-D652 PolarHBondContact OG-N 2.98Å; S650-D652 VanDerWaalsContact OG-N 3.15Å; D652-Y655 PolarHBondContact O-N 3.02Å; D652-S656 WeakPolarHBondContact O-CB 3.32Å; D652-S656 PolarHBondContact O-N 2.89Å; D652-S656 PolarHBondContact O-OG 3.19Å; D652-L711 WeakPolarHBondContact OD1-CD1 3.36Å |
| 653 | G | 84.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D601 S650 Y655 S656 F657 | D601-G653 VanDerWaalsContact OD1-CA 3.32Å; D601-G653 WeakPolarHBondContact OD1-CA 3.42Å; S650-G653 PolarHBondContact O-N 3.18Å; S650-G653 PolarHBondContact OG-N 2.85Å; G653-Y655 VanDerWaalsContact C-N 3.34Å; G653-S656 PolarHBondContact O-N 3.09Å; G653-F657 WeakPolarHBondContact O-CB 3.43Å; G653-F657 PolarHBondContact O-N 3.44Å |
| 654 | I | 86.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 175.7 | -63.5 | 169 | 0 | 0 | 0 | 110.3 | L639 F649 S650 A651 S656 F657 L658 L690 L698 L716 | L639-I654 HydrophobicContact CD2-CD1 4.09Å; F649-I654 HydrophobicContact CB-CG1 4.1Å; S650-I654 WeakPolarHBondContact O-CG1 3.49Å; S650-I654 PolarHBondContact O-N 2.93Å; A651-I654 PolarHBondContact O-N 3.48Å; I654-S656 VanDerWaalsContact C-N 3.35Å; I654-S656 PolarHBondContact O-N 3.08Å; I654-F657 WeakPolarHBondContact O-CB 3.38Å; I654-F657 PolarHBondContact O-N 2.96Å; I654-L658 HydrophobicContact CG2-CD1 4.34Å; I654-L658 HydrophobicContact CG2-CG 4.31Å; I654-L658 WeakPolarHBondContact O-CG 3Å; I654-L658 PolarHBondContact O-N 3.39Å; I654-L690 HydrophobicContact CG2-CD1 3.89Å; I654-L690 HydrophobicContact CG2-CD2 4.25Å; I654-L698 HydrophobicContact CD1-CD1 3.99Å; I654-L698 HydrophobicContact CD1-CD2 4.02Å; I654-L716 HydrophobicContact CB-CD2 4.31Å; I654-L716 HydrophobicContact CG2-CD2 4.01Å |
| 655 | Y | 87.5 | Confident | 81.3 | Confident | 81 Ų | 81 | 31.9 Ų | 31.9 | 32% | 0.318 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 175.6 | -179 | -91.5 | 0 | 0 | 0 | 111.7 | A651 D652 G653 F657 L658 S659 L711 L716 L719 | A651-Y655 WeakPolarHBondContact O-CB 3.29Å; A651-Y655 PolarHBondContact O-N 3.3Å; D652-Y655 PolarHBondContact O-N 3.02Å; G653-Y655 VanDerWaalsContact C-N 3.34Å; Y655-F657 VanDerWaalsContact C-N 3.32Å; Y655-F657 PolarHBondContact O-N 2.91Å; Y655-L658 PolarHBondContact O-N 3.11Å; Y655-S659 WeakPolarHBondContact O-CB 3.5Å; Y655-S659 PolarHBondContact O-N 2.63Å; Y655-S659 PolarHBondContact O-OG 3.15Å; Y655-L711 HydrophobicContact CD1-CD2 4.03Å; Y655-L711 HydrophobicContact CD2-CD2 3.37Å; Y655-L711 HydrophobicContact CE1-CD2 4.25Å; Y655-L711 HydrophobicContact CE2-CD2 3.61Å; Y655-L711 HydrophobicContact CG-CD2 3.59Å; Y655-L716 HydrophobicContact CD2-CD2 4.2Å; Y655-L716 HydrophobicContact CG-CD2 4.46Å; Y655-L719 HydrophobicContact CD2-CD1 3.52Å; Y655-L719 HydrophobicContact CE2-CD1 3.45Å; Y655-L719 VanDerWaalsContact CE2-CD1 3.45Å; Y655-L719 HydrophobicContact CE2-CG 4.3Å; Y655-L719 HydrophobicContact CG-CD1 4.26Å |
| 656 | S | 86.9 | Confident | 82.6 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.8 | -59 | 0 | 0 | 0 | 0 | 111.2 | D652 G653 I654 S659 I660 | D652-S656 WeakPolarHBondContact O-CB 3.32Å; D652-S656 PolarHBondContact O-N 2.89Å; D652-S656 PolarHBondContact O-OG 3.19Å; G653-S656 PolarHBondContact O-N 3.09Å; I654-S656 VanDerWaalsContact C-N 3.35Å; I654-S656 PolarHBondContact O-N 3.08Å; S656-S659 PolarHBondContact O-N 3.4Å; S656-I660 WeakPolarHBondContact O-CG1 3.41Å; S656-I660 PolarHBondContact O-N 2.99Å |
| 657 | F | 90.7 | Very high | 83.6 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -48 | 175.4 | 171.4 | -106.6 | 0 | 0 | 0 | 113.2 | L604 F628 L631 W632 V635 G653 I654 Y655 S659 I660 A661 | L604-F657 HydrophobicContact CD1-CB 4.05Å; L604-F657 HydrophobicContact CD2-CB 4.39Å; L604-F657 HydrophobicContact CD2-CD2 4.37Å; F628-F657 HydrophobicContact CE2-CE2 4.18Å; L631-F657 HydrophobicContact CB-CD2 4.36Å; L631-F657 HydrophobicContact CB-CE2 3.68Å; L631-F657 HydrophobicContact CB-CZ 4.38Å; L631-F657 HydrophobicContact CD1-CE2 4.43Å; W632-F657 AromaticContact CD1-CZ 3.97Å; W632-F657 AromaticContact CD2-CE1 3.84Å; W632-F657 HydrophobicContact CD2-CE1 3.84Å; W632-F657 AromaticContact CD2-CZ 3.52Å; W632-F657 HydrophobicContact CD2-CZ 3.52Å; W632-F657 AromaticContact CE2-CE1 3.92Å; W632-F657 AromaticContact CE2-CZ 3.53Å; W632-F657 AromaticContact CE3-CE1 3.76Å; W632-F657 HydrophobicContact CE3-CE1 3.76Å; W632-F657 AromaticContact CE3-CZ 3.93Å; W632-F657 HydrophobicContact CE3-CZ 3.93Å; W632-F657 AromaticContact CG-CZ 3.82Å; W632-F657 HydrophobicContact CG-CZ 3.82Å; W632-F657 AromaticContact CH2-CE1 3.88Å; W632-F657 HydrophobicContact CH2-CE1 3.88Å; W632-F657 HydrophobicContact CH2-CZ 4.34Å; W632-F657 AromaticContact CZ2-CE1 3.96Å; W632-F657 HydrophobicContact CZ2-CE1 3.96Å; W632-F657 AromaticContact CZ2-CZ 3.97Å; W632-F657 HydrophobicContact CZ2-CZ 3.97Å; W632-F657 AromaticContact CZ3-CE1 3.79Å; W632-F657 HydrophobicContact CZ3-CE1 3.79Å; W632-F657 HydrophobicContact CZ3-CZ 4.32Å; W632-F657 AromaticContact NE1-CZ 3.79Å; V635-F657 HydrophobicContact CB-CE1 4.44Å; V635-F657 HydrophobicContact CG1-CD1 4.48Å; V635-F657 HydrophobicContact CG2-CD1 4.01Å; V635-F657 HydrophobicContact CG2-CE1 4.13Å; V635-F657 HydrophobicContact CG2-CG 4.26Å; G653-F657 WeakPolarHBondContact O-CB 3.43Å; G653-F657 PolarHBondContact O-N 3.44Å; I654-F657 WeakPolarHBondContact O-CB 3.38Å; I654-F657 PolarHBondContact O-N 2.96Å; Y655-F657 VanDerWaalsContact C-N 3.32Å; Y655-F657 PolarHBondContact O-N 2.91Å; F657-S659 VanDerWaalsContact C-N 3.27Å; F657-S659 PolarHBondContact O-N 2.97Å; F657-I660 WeakPolarHBondContact O-CB 3.37Å; F657-I660 PolarHBondContact O-N 2.97Å; F657-A661 PolarHBondContact O-N 3.43Å |
| 658 | L | 90.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 178.2 | -67.4 | -176.4 | 0 | 0 | 0 | 111.8 | W632 I654 Y655 A661 L662 L687 L690 L716 L719 L723 | W632-L658 HydrophobicContact CH2-CD2 3.97Å; W632-L658 HydrophobicContact CZ3-CD2 4.43Å; I654-L658 HydrophobicContact CG2-CD1 4.34Å; I654-L658 HydrophobicContact CG2-CG 4.31Å; I654-L658 WeakPolarHBondContact O-CG 3Å; I654-L658 PolarHBondContact O-N 3.39Å; Y655-L658 PolarHBondContact O-N 3.11Å; L658-A661 WeakPolarHBondContact O-CB 3.5Å; L658-A661 PolarHBondContact O-N 3.1Å; L658-L662 WeakPolarHBondContact O-CB 3.25Å; L658-L662 PolarHBondContact O-N 3.18Å; L658-L687 HydrophobicContact CD2-CD2 3.82Å; L658-L690 HydrophobicContact CD1-CD1 3.94Å; L658-L690 HydrophobicContact CD2-CD1 4.36Å; L658-L716 HydrophobicContact CD1-CD2 4.28Å; L658-L719 HydrophobicContact CB-CB 4.08Å; L658-L719 HydrophobicContact CB-CD1 3.82Å; L658-L719 HydrophobicContact CD1-CB 3.95Å; L658-L719 HydrophobicContact CD1-CD1 4.49Å; L658-L723 HydrophobicContact CB-CD1 4.33Å; L658-L723 HydrophobicContact CD2-CD1 3.78Å |
| 659 | S | 89.9 | Confident | 83.7 | Confident | 18 Ų | 18 | 30 Ų | 30 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 175 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | Y655 S656 F657 L662 L663 | Y655-S659 WeakPolarHBondContact O-CB 3.5Å; Y655-S659 PolarHBondContact O-N 2.63Å; Y655-S659 PolarHBondContact O-OG 3.15Å; S656-S659 PolarHBondContact O-N 3.4Å; F657-S659 VanDerWaalsContact C-N 3.27Å; F657-S659 PolarHBondContact O-N 2.97Å; S659-L662 PolarHBondContact O-N 3.23Å; S659-L663 WeakPolarHBondContact O-CB 3.45Å; S659-L663 PolarHBondContact O-N 2.91Å |
| 660 | I | 88.4 | Confident | 83.2 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 170.8 | -68.6 | 163.8 | 0 | 0 | 0 | 110.2 | L604 L607 L608 L611 S656 F657 L662 L663 I664 | L604-I660 HydrophobicContact CD2-CD1 4.12Å; L604-I660 WeakPolarHBondContact O-CD1 3.47Å; L607-I660 HydrophobicContact CB-CD1 4.09Å; L607-I660 HydrophobicContact CD2-CD1 3.91Å; L607-I660 HydrophobicContact CG-CD1 3.96Å; L608-I660 HydrophobicContact CB-CD1 4.1Å; L608-I660 HydrophobicContact CB-CG1 3.73Å; L608-I660 HydrophobicContact CD1-CG1 3.87Å; L608-I660 HydrophobicContact CG-CG1 4.36Å; L611-I660 HydrophobicContact CD1-CG1 4.41Å; L611-I660 HydrophobicContact CD1-CG2 3.84Å; S656-I660 WeakPolarHBondContact O-CG1 3.41Å; S656-I660 PolarHBondContact O-N 2.99Å; F657-I660 WeakPolarHBondContact O-CB 3.37Å; F657-I660 PolarHBondContact O-N 2.97Å; I660-L662 VanDerWaalsContact C-N 3.3Å; I660-L662 PolarHBondContact O-N 2.89Å; I660-L663 PolarHBondContact O-N 3.26Å; I660-I664 HydrophobicContact CG2-CD1 3.6Å; I660-I664 HydrophobicContact CG2-CG1 4.26Å; I660-I664 VanDerWaalsContact O-CG1 3.31Å; I660-I664 WeakPolarHBondContact O-CG1 3.13Å; I660-I664 PolarHBondContact O-N 3.27Å |
| 661 | A | 88.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F628 W632 F657 L658 I664 F665 L723 | F628-A661 HydrophobicContact CE2-CB 4.23Å; F628-A661 HydrophobicContact CZ-CB 3.76Å; W632-A661 HydrophobicContact CZ2-CB 3.85Å; F657-A661 PolarHBondContact O-N 3.43Å; L658-A661 WeakPolarHBondContact O-CB 3.5Å; L658-A661 PolarHBondContact O-N 3.1Å; A661-I664 PolarHBondContact O-N 3.35Å; A661-F665 WeakPolarHBondContact O-CB 3.44Å; A661-F665 WeakPolarHBondContact O-CD1 3.49Å; A661-F665 WeakPolarHBondContact O-CG 3.39Å; A661-F665 PolarHBondContact O-N 3.41Å; A661-L723 HydrophobicContact CB-CD1 4.17Å; A661-L723 HydrophobicContact CB-CD2 4.1Å |
| 662 | L | 88.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 37 Ų | 37 | 24% | 0.236 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 177 | -176.4 | 62.1 | 0 | 0 | 0 | 111.6 | L658 S659 I660 I664 F665 T666 L719 H722 L723 F726 | L658-L662 WeakPolarHBondContact O-CB 3.25Å; L658-L662 PolarHBondContact O-N 3.18Å; S659-L662 PolarHBondContact O-N 3.23Å; I660-L662 VanDerWaalsContact C-N 3.3Å; I660-L662 PolarHBondContact O-N 2.89Å; L662-I664 PolarHBondContact O-N 3.3Å; L662-F665 PolarHBondContact O-N 3.28Å; L662-T666 WeakPolarHBondContact O-CG2 3.33Å; L662-T666 PolarHBondContact O-N 3.46Å; L662-T666 PolarHBondContact O-OG1 2.84Å; L662-L719 HydrophobicContact CD2-CD2 3.84Å; L662-H722 HydrophobicContact CD1-CB 4.28Å; L662-L723 HydrophobicContact CB-CD2 4.19Å; L662-L723 HydrophobicContact CD1-CD2 4.31Å; L662-F726 HydrophobicContact CD1-CE2 3.55Å; L662-F726 HydrophobicContact CD1-CZ 3.84Å |
| 663 | L | 85.9 | Confident | 83.1 | Confident | 39 Ų | 39 | 35.2 Ų | 35.2 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.5 | -176.1 | 64.6 | 0 | 0 | 0 | 112.2 | L611 S659 I660 T666 K667 | L611-L663 HydrophobicContact CB-CD2 3.64Å; S659-L663 WeakPolarHBondContact O-CB 3.45Å; S659-L663 PolarHBondContact O-N 2.91Å; I660-L663 PolarHBondContact O-N 3.26Å; L663-T666 PolarHBondContact O-OG1 3.49Å; L663-K667 WeakPolarHBondContact O-CG 3.46Å; L663-K667 PolarHBondContact O-N 3.06Å |
| 664 | I | 82.4 | Confident | 83.2 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.5 | -45.7 | 177.2 | -68 | 169.6 | 0 | 0 | 0 | 110.4 | L623 F628 I660 A661 L662 T666 K667 D668 | L623-I664 HydrophobicContact CD2-CD1 3.95Å; F628-I664 HydrophobicContact CD2-CD1 3.93Å; F628-I664 HydrophobicContact CE2-CD1 3.75Å; F628-I664 HydrophobicContact CZ-CD1 4.25Å; I660-I664 HydrophobicContact CG2-CD1 3.6Å; I660-I664 HydrophobicContact CG2-CG1 4.26Å; I660-I664 VanDerWaalsContact O-CG1 3.31Å; I660-I664 WeakPolarHBondContact O-CG1 3.13Å; I660-I664 PolarHBondContact O-N 3.27Å; A661-I664 PolarHBondContact O-N 3.35Å; L662-I664 PolarHBondContact O-N 3.3Å; I664-T666 VanDerWaalsContact C-N 3.28Å; I664-T666 PolarHBondContact O-N 2.66Å; I664-K667 PolarHBondContact O-N 2.79Å; I664-K667 VanDerWaalsContact O-N 3.11Å; I664-D668 PolarHBondContact O-N 3.18Å |
| 665 | F | 83.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | -175.5 | -71.7 | 12 | 0 | 0 | 0 | 111.6 | F628 A661 L662 L669 C672 L675 F676 L723 F726 | F628-F665 AromaticContact CE1-CE1 3.73Å; F628-F665 HydrophobicContact CE1-CE1 3.73Å; F628-F665 HydrophobicContact CE1-CZ 4.34Å; F628-F665 AromaticContact CZ-CE1 4Å; F628-F665 HydrophobicContact CZ-CE1 4Å; A661-F665 WeakPolarHBondContact O-CB 3.44Å; A661-F665 WeakPolarHBondContact O-CD1 3.49Å; A661-F665 WeakPolarHBondContact O-CG 3.39Å; A661-F665 PolarHBondContact O-N 3.41Å; L662-F665 PolarHBondContact O-N 3.28Å; F665-L669 VanDerWaalsContact O-CD2 3.25Å; F665-L669 WeakPolarHBondContact O-CD2 3.47Å; F665-C672 HydrophobicContact CD1-CB 3.61Å; F665-C672 WeakPolarHBondContact CD1-SG 3.44Å; F665-C672 HydrophobicContact CD2-CB 4.48Å; F665-C672 HydrophobicContact CE1-CB 3.58Å; F665-C672 WeakPolarHBondContact CE1-SG 3.37Å; F665-C672 HydrophobicContact CG-CB 4.06Å; F665-C672 HydrophobicContact CZ-CB 4.07Å; F665-L675 HydrophobicContact CE1-CD1 3.79Å; F665-L675 HydrophobicContact CZ-CD1 3.75Å; F665-F676 HydrophobicContact CD2-CE2 4.09Å; F665-F676 HydrophobicContact CD2-CZ 4.1Å; F665-F676 AromaticContact CE2-CE2 3.48Å; F665-F676 HydrophobicContact CE2-CE2 3.48Å; F665-F676 VanDerWaalsContact CE2-CE2 3.48Å; F665-F676 AromaticContact CE2-CZ 3.43Å; F665-F676 HydrophobicContact CE2-CZ 3.43Å; F665-F676 VanDerWaalsContact CE2-CZ 3.43Å; F665-F676 HydrophobicContact CZ-CE2 4.04Å; F665-F676 HydrophobicContact CZ-CZ 4.27Å; F665-L723 HydrophobicContact CD2-CD2 3.45Å; F665-L723 VanDerWaalsContact CD2-CD2 3.45Å; F665-L723 HydrophobicContact CE2-CD2 3.69Å; F665-L723 HydrophobicContact CG-CD2 4.2Å; F665-F726 VanDerWaalsContact C-CE1 3.46Å; F665-F726 HydrophobicContact CB-CD1 3.78Å; F665-F726 HydrophobicContact CB-CD2 4.29Å; F665-F726 HydrophobicContact CB-CE1 3.43Å; F665-F726 VanDerWaalsContact CB-CE1 3.43Å; F665-F726 HydrophobicContact CB-CE2 3.98Å; F665-F726 HydrophobicContact CB-CG 4.18Å; F665-F726 HydrophobicContact CB-CZ 3.53Å; F665-F726 HydrophobicContact CD2-CD1 4.47Å; F665-F726 HydrophobicContact CD2-CD2 4.01Å; F665-F726 HydrophobicContact CD2-CE2 4.3Å; F665-F726 HydrophobicContact CD2-CG 4.07Å; F665-F726 WeakPolarHBondContact O-CE1 3.29Å |
| 666 | T | 80.6 | Confident | 83.3 | Confident | 79 Ų | 79 | 35.7 Ų | 35.7 | 49% | 0.485 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.9 | -29.6 | 174.4 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | L662 L663 I664 F726 | L662-T666 WeakPolarHBondContact O-CG2 3.33Å; L662-T666 PolarHBondContact O-N 3.46Å; L662-T666 PolarHBondContact O-OG1 2.84Å; L663-T666 PolarHBondContact O-OG1 3.49Å; I664-T666 VanDerWaalsContact C-N 3.28Å; I664-T666 PolarHBondContact O-N 2.66Å; T666-F726 HydrophobicContact CG2-CE1 4.25Å; T666-F726 HydrophobicContact CG2-CZ 3.79Å |
| 667 | K | 75.3 | Confident | 83.3 | Confident | 95 Ų | 95 | 36.9 Ų | 36.9 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -85.7 | -36.1 | -179.3 | -71.2 | -173 | 177.5 | -177.4 | 0 | 113.4 | D614 V619 L663 I664 | D614-K667 PolarHBondContact O-NZ 3.12Å; D614-K667 VanDerWaalsContact O-NZ 3.1Å; V619-K667 HydrophobicContact CB-CD 3.62Å; V619-K667 HydrophobicContact CG1-CD 3.89Å; V619-K667 HydrophobicContact CG2-CD 3.74Å; L663-K667 WeakPolarHBondContact O-CG 3.46Å; L663-K667 PolarHBondContact O-N 3.06Å; I664-K667 PolarHBondContact O-N 2.79Å; I664-K667 VanDerWaalsContact O-N 3.11Å |
| 668 | D | 72.9 | Confident | 82.9 | Confident | 47 Ų | 47 | 40.4 Ų | 40.4 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | trans | -133.6 | 85.1 | 177.4 | -173.7 | -1.7 | 0 | 0 | 0 | 112.3 | I664 N670 S671 C672 | I664-D668 PolarHBondContact O-N 3.18Å; D668-N670 VanDerWaalsContact C-N 3.31Å; D668-N670 PolarHBondContact O-N 2.74Å; D668-S671 PolarHBondContact OD1-N 3.38Å; D668-S671 PolarHBondContact OD1-OG 2.78Å; D668-S671 WeakPolarHBondContact OD2-CB 3.42Å; D668-S671 PolarHBondContact OD2-OG 3.11Å; D668-C672 PolarHBondContact O-SG 3.42Å | ||
| 669 | L | 70.6 | Confident | 82.1 | Confident | 70 Ų | 70 | 46 Ų | 46 | 37% | 0.366 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -30.8 | -171.3 | -68.1 | 160.2 | 0 | 0 | 0 | 114.1 | F665 F726 L730 | F665-L669 VanDerWaalsContact O-CD2 3.25Å; F665-L669 WeakPolarHBondContact O-CD2 3.47Å; L669-F726 HydrophobicContact CD2-CD1 3.96Å; L669-F726 HydrophobicContact CD2-CE1 3.86Å; L669-L730 HydrophobicContact CB-CD1 4.08Å; L669-L730 HydrophobicContact CB-CD2 3.65Å; L669-L730 HydrophobicContact CD1-CD2 4Å; L669-L730 HydrophobicContact CD2-CD2 4.07Å; L669-L730 HydrophobicContact CG-CD2 4.11Å; L669-L730 VanDerWaalsContact O-CD1 3.3Å; L669-L730 WeakPolarHBondContact O-CD1 3.32Å |
| 670 | N | 72.2 | Confident | 81.4 | Confident | 119 Ų | 119 | 52.7 Ų | 52.7 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -33.2 | -172.4 | -72.4 | -45.7 | 0 | 0 | 0 | 112.9 | D668 C672 I673 | D668-N670 VanDerWaalsContact C-N 3.31Å; D668-N670 PolarHBondContact O-N 2.74Å; N670-C672 PolarHBondContact O-N 3.21Å; N670-I673 PolarHBondContact O-N 3.14Å |
| 671 | S | 73.2 | Confident | 80.9 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 53% | 0.531 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.2 | -178.3 | -65.5 | 0 | 0 | 0 | 0 | 113.6 | D668 P674 | D668-S671 PolarHBondContact OD1-N 3.38Å; D668-S671 PolarHBondContact OD1-OG 2.78Å; D668-S671 WeakPolarHBondContact OD2-CB 3.42Å; D668-S671 PolarHBondContact OD2-OG 3.11Å; S671-P674 WeakPolarHBondContact O-CD 3.25Å |
| 672 | C | 80.8 | Confident | 80.6 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -16.5 | -177.8 | -54.4 | 0 | 0 | 0 | 0 | 113.4 | F665 D668 N670 P674 L675 F676 | F665-C672 HydrophobicContact CD1-CB 3.61Å; F665-C672 WeakPolarHBondContact CD1-SG 3.44Å; F665-C672 HydrophobicContact CD2-CB 4.48Å; F665-C672 HydrophobicContact CE1-CB 3.58Å; F665-C672 WeakPolarHBondContact CE1-SG 3.37Å; F665-C672 HydrophobicContact CG-CB 4.06Å; F665-C672 HydrophobicContact CZ-CB 4.07Å; D668-C672 PolarHBondContact O-SG 3.42Å; N670-C672 PolarHBondContact O-N 3.21Å; C672-P674 VanDerWaalsContact C-CD 3.46Å; C672-L675 VanDerWaalsContact O-CB 3.25Å; C672-L675 WeakPolarHBondContact O-CB 3.23Å; C672-L675 PolarHBondContact O-N 3.42Å; C672-F676 WeakPolarHBondContact O-CD2 3.28Å |
| 673 | I | 85.6 | Confident | 80.6 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 8% | 0.077 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.9 | -41.4 | -178.2 | -62.5 | -55.8 | 0 | 0 | 0 | 114 | N670 L675 F676 S677 L730 L732 T736 | N670-I673 PolarHBondContact O-N 3.14Å; I673-L675 PolarHBondContact O-N 3.02Å; I673-L675 VanDerWaalsContact O-N 3.11Å; I673-F676 PolarHBondContact O-N 2.96Å; I673-S677 PolarHBondContact O-N 2.77Å; I673-S677 PolarHBondContact O-OG 3.41Å; I673-L730 HydrophobicContact CD1-CD1 3.66Å; I673-L730 HydrophobicContact CG1-CD1 4.37Å; I673-L732 HydrophobicContact CD1-CD1 3.87Å; I673-L732 HydrophobicContact CD1-CD2 3.76Å; I673-L732 HydrophobicContact CD1-CG 4.44Å; I673-L732 HydrophobicContact CG1-CD2 3.89Å; I673-T736 HydrophobicContact CG2-CG2 3.51Å |
| 674 | P | 86.2 | Confident | 80.8 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.5 | -29.5 | 175.9 | -27.2 | 36.7 | 0 | 0 | 0 | 113.9 | S671 C672 F676 S677 D678 | S671-P674 WeakPolarHBondContact O-CD 3.25Å; C672-P674 VanDerWaalsContact C-CD 3.46Å; P674-F676 VanDerWaalsContact C-N 3.26Å; P674-F676 PolarHBondContact O-N 3.43Å; P674-S677 WeakPolarHBondContact CA-OG 3.44Å; P674-S677 PolarHBondContact O-N 3.36Å; P674-D678 WeakPolarHBondContact O-CB 3.41Å; P674-D678 PolarHBondContact O-N 3.5Å |
| 675 | L | 86.3 | Confident | 81 | Confident | 19 Ų | 19 | 55.1 Ų | 55.1 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -28.9 | 177.7 | -59.4 | 171 | 0 | 0 | 0 | 112.4 | F628 L629 F665 C672 I673 S681 C683 | F628-L675 HydrophobicContact CD1-CD1 3.98Å; F628-L675 HydrophobicContact CE1-CD1 3.6Å; L629-L675 HydrophobicContact CD1-CD2 3.76Å; F665-L675 HydrophobicContact CE1-CD1 3.79Å; F665-L675 HydrophobicContact CZ-CD1 3.75Å; C672-L675 VanDerWaalsContact O-CB 3.25Å; C672-L675 WeakPolarHBondContact O-CB 3.23Å; C672-L675 PolarHBondContact O-N 3.42Å; I673-L675 PolarHBondContact O-N 3.02Å; I673-L675 VanDerWaalsContact O-N 3.11Å; L675-S681 WeakPolarHBondContact O-CB 3.45Å; L675-S681 PolarHBondContact O-OG 3.14Å; L675-C683 HydrophobicContact CB-CB 4.12Å |
| 676 | F | 89 | Confident | 81.2 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -91.7 | -22.6 | 179.5 | -65.7 | -81.1 | 0 | 0 | 0 | 113.4 | F665 C672 I673 P674 V684 L687 L723 L724 F726 P727 V740 V743 Y744 | F665-F676 HydrophobicContact CD2-CE2 4.09Å; F665-F676 HydrophobicContact CD2-CZ 4.1Å; F665-F676 AromaticContact CE2-CE2 3.48Å; F665-F676 HydrophobicContact CE2-CE2 3.48Å; F665-F676 VanDerWaalsContact CE2-CE2 3.48Å; F665-F676 AromaticContact CE2-CZ 3.43Å; F665-F676 HydrophobicContact CE2-CZ 3.43Å; F665-F676 VanDerWaalsContact CE2-CZ 3.43Å; F665-F676 HydrophobicContact CZ-CE2 4.04Å; F665-F676 HydrophobicContact CZ-CZ 4.27Å; C672-F676 WeakPolarHBondContact O-CD2 3.28Å; I673-F676 PolarHBondContact O-N 2.96Å; P674-F676 VanDerWaalsContact C-N 3.26Å; P674-F676 PolarHBondContact O-N 3.43Å; F676-V684 HydrophobicContact CB-CG2 4.5Å; F676-V684 HydrophobicContact CD1-CG2 3.81Å; F676-L687 HydrophobicContact CE1-CD1 4.37Å; F676-L723 WeakPolarHBondContact CZ-O 3.45Å; F676-L724 HydrophobicContact CE1-CD2 4.49Å; F676-F726 HydrophobicContact CE2-CB 4.42Å; F676-F726 HydrophobicContact CZ-CB 4.38Å; F676-P727 HydrophobicContact CB-CG 4.04Å; F676-P727 HydrophobicContact CD1-CG 3.87Å; F676-P727 HydrophobicContact CD2-CG 3.95Å; F676-P727 HydrophobicContact CE1-CG 4.24Å; F676-P727 HydrophobicContact CE2-CG 4.31Å; F676-P727 HydrophobicContact CG-CG 3.69Å; F676-P727 HydrophobicContact CZ-CG 4.41Å; F676-V740 HydrophobicContact CB-CG1 4.22Å; F676-V740 HydrophobicContact CB-CG2 3.99Å; F676-V743 WeakPolarHBondContact O-CB 3.43Å; F676-Y744 AromaticContact CD1-CE1 3.95Å; F676-Y744 HydrophobicContact CD1-CE1 3.95Å; F676-Y744 WeakPolarHBondContact CD1-OH 3.43Å |
| 677 | S | 87.1 | Confident | 81.7 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -96.8 | -24.9 | -179.2 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | I673 P674 V743 | I673-S677 PolarHBondContact O-N 2.77Å; I673-S677 PolarHBondContact O-OG 3.41Å; P674-S677 WeakPolarHBondContact CA-OG 3.44Å; P674-S677 PolarHBondContact O-N 3.36Å; S677-V743 WeakPolarHBondContact O-CG2 3.48Å |
| 678 | D | 83.5 | Confident | 82.3 | Confident | 75 Ų | 75 | 47.1 Ų | 47.1 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | trans | -95.8 | 120.1 | -179.8 | -173.4 | -1.2 | 0 | 0 | 0 | 111.6 | P674 K680 S681 | P674-D678 WeakPolarHBondContact O-CB 3.41Å; P674-D678 PolarHBondContact O-N 3.5Å; D678-K680 PolarHBondContact O-N 3.04Å; D678-K680 VanDerWaalsContact O-N 3.15Å; D678-K680 WeakPolarHBondContact OD1-CB 3.21Å; D678-K680 PolarHBondContact OD1-N 3.15Å; D678-S681 WeakPolarHBondContact O-CB 3.42Å; D678-S681 PolarHBondContact O-N 3.43Å; D678-S681 VanDerWaalsContact O-N 3.1Å; D678-S681 PolarHBondContact O-OG 3.2Å | ||
| 679 | K | 74.3 | Confident | 82.9 | Confident | 116 Ų | 116 | 47.4 Ų | 47.4 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -59.6 | -24.6 | 175.5 | -66.8 | -173.8 | 175.8 | -172.5 | 0 | 113.3 | S681 Q682 V743 | K679-S681 VanDerWaalsContact C-N 3.26Å; K679-S681 PolarHBondContact O-N 3.12Å; K679-Q682 PolarHBondContact O-NE2 3.06Å; K679-V743 HydrophobicContact CG-CG2 4Å |
| 680 | K | 74.9 | Confident | 83.6 | Confident | 159 Ų | 159 | 44.4 Ų | 44.4 | 69% | 0.691 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -75.1 | -13.5 | 179.1 | -64 | -179.4 | 179.5 | 178 | 0 | 113.5 | D678 Q682 | D678-K680 PolarHBondContact O-N 3.04Å; D678-K680 VanDerWaalsContact O-N 3.15Å; D678-K680 WeakPolarHBondContact OD1-CB 3.21Å; D678-K680 PolarHBondContact OD1-N 3.15Å; K680-Q682 PolarHBondContact O-N 3.49Å |
| 681 | S | 76.9 | Confident | 84.1 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -69.3 | -24.5 | -179.9 | 76.6 | 0 | 0 | 0 | 0 | 113.1 | L675 D678 K679 C683 | L675-S681 WeakPolarHBondContact O-CB 3.45Å; L675-S681 PolarHBondContact O-OG 3.14Å; D678-S681 WeakPolarHBondContact O-CB 3.42Å; D678-S681 PolarHBondContact O-N 3.43Å; D678-S681 VanDerWaalsContact O-N 3.1Å; D678-S681 PolarHBondContact O-OG 3.2Å; K679-S681 VanDerWaalsContact C-N 3.26Å; K679-S681 PolarHBondContact O-N 3.12Å; S681-C683 PolarHBondContact O-N 3.26Å; S681-C683 PolarHBondContact OG-N 3.18Å; S681-C683 VanDerWaalsContact OG-N 3.15Å |
| 682 | Q | 81.9 | Confident | 84 | Confident | 74 Ų | 74 | 35.9 Ų | 35.9 | 35% | 0.346 | 18% | 0.176 | S | C | . | . | trans | 57.1 | 1.6 | -169.9 | -62.2 | -67.9 | -64.5 | 0 | 0 | 114.6 | K679 K680 Y685 T686 | K679-Q682 PolarHBondContact O-NE2 3.06Å; K680-Q682 PolarHBondContact O-N 3.49Å; Q682-Y685 PolarHBondContact O-N 3.21Å; Q682-T686 WeakPolarHBondContact O-CB 3.04Å; Q682-T686 PolarHBondContact O-N 3Å; Q682-T686 PolarHBondContact O-OG1 2.86Å | ||
| 683 | C | 89.4 | Confident | 83 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -56.2 | -174.1 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | W632 L675 S681 Y685 T686 L687 | W632-C683 HydrophobicContact CD2-CB 3.95Å; W632-C683 HydrophobicContact CE3-CB 4.02Å; W632-C683 HydrophobicContact CG-CB 4.35Å; W632-C683 HydrophobicContact CZ3-CB 4.43Å; L675-C683 HydrophobicContact CB-CB 4.12Å; S681-C683 PolarHBondContact O-N 3.26Å; S681-C683 PolarHBondContact OG-N 3.18Å; S681-C683 VanDerWaalsContact OG-N 3.15Å; C683-Y685 VanDerWaalsContact C-N 3.28Å; C683-Y685 PolarHBondContact O-N 3.14Å; C683-T686 PolarHBondContact O-N 3.34Å; C683-L687 WeakPolarHBondContact O-CG 3.27Å; C683-L687 PolarHBondContact O-N 3.39Å |
| 684 | V | 89.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -37 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | F676 L687 C688 L724 V743 Y744 C747 V749 | F676-V684 HydrophobicContact CB-CG2 4.5Å; F676-V684 HydrophobicContact CD1-CG2 3.81Å; V684-L687 PolarHBondContact O-N 3.15Å; V684-C688 VanDerWaalsContact O-CB 3.24Å; V684-C688 WeakPolarHBondContact O-CB 3.34Å; V684-C688 PolarHBondContact O-N 3.45Å; V684-L724 HydrophobicContact CG1-CD2 4.24Å; V684-V743 HydrophobicContact CB-CG1 3.77Å; V684-V743 HydrophobicContact CG1-CG1 4.08Å; V684-V743 HydrophobicContact CG2-CG1 3.79Å; V684-Y744 HydrophobicContact CG1-CD1 3.82Å; V684-Y744 HydrophobicContact CG1-CE1 4.04Å; V684-Y744 HydrophobicContact CG1-CG 4.43Å; V684-Y744 HydrophobicContact CG2-CD1 4.12Å; V684-Y744 HydrophobicContact CG2-CE1 3.75Å; V684-C747 HydrophobicContact CG1-CB 3.99Å; V684-V749 HydrophobicContact CG1-CG2 3.78Å |
| 685 | Y | 87.6 | Confident | 80.4 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 33% | 0.333 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.9 | -48.4 | 176.3 | 177.2 | -97.9 | 0 | 0 | 0 | 111.8 | Q682 C683 C688 R689 | Q682-Y685 PolarHBondContact O-N 3.21Å; C683-Y685 VanDerWaalsContact C-N 3.28Å; C683-Y685 PolarHBondContact O-N 3.14Å; Y685-C688 PolarHBondContact O-N 3.48Å; Y685-R689 HydrophobicContact CD1-CG 4.44Å; Y685-R689 HydrophobicContact CE1-CG 4.02Å; Y685-R689 HydrophobicContact CE2-CG 4.36Å; Y685-R689 WeakPolarHBondContact O-CG 3.39Å; Y685-R689 PolarHBondContact O-N 2.8Å |
| 686 | T | 87.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 175.9 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | W632 V635 G636 L639 Q682 C683 C688 R689 L690 | W632-T686 HydrophobicContact CE3-CG2 4.05Å; W632-T686 HydrophobicContact CZ3-CG2 3.89Å; V635-T686 HydrophobicContact CB-CG2 4.49Å; V635-T686 HydrophobicContact CG1-CG2 3.8Å; G636-T686 WeakPolarHBondContact CA-OG1 3.33Å; L639-T686 HydrophobicContact CD1-CG2 3.92Å; Q682-T686 WeakPolarHBondContact O-CB 3.04Å; Q682-T686 PolarHBondContact O-N 3Å; Q682-T686 PolarHBondContact O-OG1 2.86Å; C683-T686 PolarHBondContact O-N 3.34Å; T686-C688 VanDerWaalsContact C-N 3.34Å; T686-C688 PolarHBondContact O-N 3.5Å; T686-R689 PolarHBondContact O-N 3.26Å; T686-L690 HydrophobicContact CG2-CD1 4.46Å; T686-L690 WeakPolarHBondContact O-CG 3.3Å; T686-L690 PolarHBondContact O-N 3.12Å; T686-L690 VanDerWaalsContact O-N 3.14Å |
| 687 | L | 90.6 | Very high | 77.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 177.7 | -68.1 | 177.7 | 0 | 0 | 0 | 111.6 | W632 L658 F676 C683 V684 R689 L690 L691 L723 L724 | W632-L687 HydrophobicContact CH2-CD1 4.3Å; W632-L687 HydrophobicContact CH2-CD2 3.75Å; W632-L687 HydrophobicContact CH2-CG 3.96Å; W632-L687 HydrophobicContact CZ3-CD2 4.01Å; W632-L687 HydrophobicContact CZ3-CG 3.99Å; L658-L687 HydrophobicContact CD2-CD2 3.82Å; F676-L687 HydrophobicContact CE1-CD1 4.37Å; C683-L687 WeakPolarHBondContact O-CG 3.27Å; C683-L687 PolarHBondContact O-N 3.39Å; V684-L687 PolarHBondContact O-N 3.15Å; L687-R689 PolarHBondContact O-N 2.95Å; L687-L690 PolarHBondContact O-N 3.3Å; L687-L691 WeakPolarHBondContact O-CG 3.4Å; L687-L691 PolarHBondContact O-N 2.99Å; L687-L691 VanDerWaalsContact O-N 3.12Å; L687-L723 HydrophobicContact CD1-CB 3.84Å; L687-L723 HydrophobicContact CD2-CB 4.3Å; L687-L723 HydrophobicContact CD2-CD1 3.82Å; L687-L724 HydrophobicContact CB-CD1 4.33Å; L687-L724 HydrophobicContact CB-CD2 4.18Å; L687-L724 HydrophobicContact CB-CG 4.24Å; L687-L724 HydrophobicContact CD1-CD2 3.84Å; L687-L724 HydrophobicContact CD1-CG 3.98Å |
| 688 | C | 87.9 | Confident | 75.8 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 179 | -159.9 | 0 | 0 | 0 | 0 | 112.5 | V684 Y685 T686 L690 L691 S692 C747 V749 S752 | V684-C688 VanDerWaalsContact O-CB 3.24Å; V684-C688 WeakPolarHBondContact O-CB 3.34Å; V684-C688 PolarHBondContact O-N 3.45Å; Y685-C688 PolarHBondContact O-N 3.48Å; T686-C688 VanDerWaalsContact C-N 3.34Å; T686-C688 PolarHBondContact O-N 3.5Å; C688-L690 VanDerWaalsContact C-N 3.3Å; C688-L690 PolarHBondContact O-N 2.95Å; C688-L691 WeakPolarHBondContact O-CB 3.48Å; C688-L691 PolarHBondContact O-N 3.07Å; C688-S692 PolarHBondContact O-N 2.91Å; C688-S692 PolarHBondContact O-OG 2.95Å; C688-C747 HydrophobicContact CB-CB 4.41Å; C688-C747 PolarHBondContact SG-O 2.97Å; C688-V749 HydrophobicContact CB-CG2 4.4Å; C688-S752 PolarHBondContact SG-OG 3.38Å |
| 689 | R | 84.9 | Confident | 74.2 | Confident | 52 Ų | 52 | 47 Ų | 47 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -33.5 | 174.4 | -77.1 | -77.8 | -69.5 | 176 | 0.2 | 112.9 | L639 Y685 T686 L687 S692 D694 | L639-R689 PolarHBondContact O-NH2 3.22Å; Y685-R689 HydrophobicContact CD1-CG 4.44Å; Y685-R689 HydrophobicContact CE1-CG 4.02Å; Y685-R689 HydrophobicContact CE2-CG 4.36Å; Y685-R689 WeakPolarHBondContact O-CG 3.39Å; Y685-R689 PolarHBondContact O-N 2.8Å; T686-R689 PolarHBondContact O-N 3.26Å; L687-R689 PolarHBondContact O-N 2.95Å; R689-S692 VanDerWaalsContact O-O 3.1Å; R689-D694 VanDerWaalsContact NH1-CB 3.26Å; R689-D694 IonicContact NH1-OD2 3.2Å; R689-D694 PolarHBondContact NH1-OD2 3.49Å |
| 690 | L | 85.6 | Confident | 72.7 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.3 | -24.4 | 175.4 | -67.9 | 173.5 | 0 | 0 | 0 | 112.7 | L639 I654 L658 T686 L687 C688 L698 S717 | L639-L690 HydrophobicContact CD1-CD1 4.37Å; L639-L690 HydrophobicContact CD1-CD2 3.71Å; L639-L690 HydrophobicContact CD1-CG 3.86Å; L639-L690 HydrophobicContact CD2-CD2 4.2Å; I654-L690 HydrophobicContact CG2-CD1 3.89Å; I654-L690 HydrophobicContact CG2-CD2 4.25Å; L658-L690 HydrophobicContact CD1-CD1 3.94Å; L658-L690 HydrophobicContact CD2-CD1 4.36Å; T686-L690 HydrophobicContact CG2-CD1 4.46Å; T686-L690 WeakPolarHBondContact O-CG 3.3Å; T686-L690 PolarHBondContact O-N 3.12Å; T686-L690 VanDerWaalsContact O-N 3.14Å; L687-L690 PolarHBondContact O-N 3.3Å; C688-L690 VanDerWaalsContact C-N 3.3Å; C688-L690 PolarHBondContact O-N 2.95Å; L690-L698 HydrophobicContact CD2-CD1 4.16Å; L690-S717 PolarHBondContact O-OG 3.05Å; L690-S717 VanDerWaalsContact O-OG 3.09Å |
| 691 | L | 81.8 | Confident | 70.9 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.7 | -33.6 | 171.1 | -66 | 177.1 | 0 | 0 | 0 | 112.6 | L687 C688 S717 C721 L724 L753 V756 | L687-L691 WeakPolarHBondContact O-CG 3.4Å; L687-L691 PolarHBondContact O-N 2.99Å; L687-L691 VanDerWaalsContact O-N 3.12Å; C688-L691 WeakPolarHBondContact O-CB 3.48Å; C688-L691 PolarHBondContact O-N 3.07Å; L691-S717 WeakPolarHBondContact CD2-O 3.31Å; L691-C721 WeakPolarHBondContact CD2-SG 3.4Å; L691-L724 HydrophobicContact CD1-CD1 3.54Å; L691-L753 HydrophobicContact CD1-CD2 3.9Å; L691-L753 HydrophobicContact CD1-CG 4.28Å; L691-V756 HydrophobicContact CB-CG2 3.99Å; L691-V756 HydrophobicContact CD2-CG2 4.13Å; L691-V756 WeakPolarHBondContact O-CG2 3.4Å |
| 692 | S | 71.2 | Confident | 69.2 | Low | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -77.9 | 143.4 | 177.8 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | C688 R689 D694 S752 | C688-S692 PolarHBondContact O-N 2.91Å; C688-S692 PolarHBondContact O-OG 2.95Å; R689-S692 VanDerWaalsContact O-O 3.1Å; S692-D694 PolarHBondContact O-N 2.84Å; S692-S752 PolarHBondContact OG-OG 2.92Å |
| 693 | N | 61 | Low | 66.9 | Low | 90 Ų | 90 | 49.3 Ų | 49.3 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 17.4 | 171.8 | -82.9 | -12.2 | 0 | 0 | 0 | 114 | C695 | N693-C695 PolarHBondContact O-N 2.91Š|
| 694 | D | 55.9 | Low | 64.2 | Low | 85 Ų | 85 | 54.2 Ų | 54.2 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 0.9 | -177.7 | -64.8 | -25 | 0 | 0 | 0 | 113.3 | R689 S692 P696 | R689-D694 VanDerWaalsContact NH1-CB 3.26Å; R689-D694 IonicContact NH1-OD2 3.2Å; R689-D694 PolarHBondContact NH1-OD2 3.49Å; S692-D694 PolarHBondContact O-N 2.84Å; D694-P696 WeakPolarHBondContact O-CD 3.44Å |
| 695 | C | 59.9 | Low | 61.9 | Low | 11 Ų | 11 | 56.5 Ų | 56.5 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | trans | -114 | 56.7 | 177.1 | -55.2 | 0 | 0 | 0 | 0 | 112.6 | N693 H697 L698 | N693-C695 PolarHBondContact O-N 2.91Å; C695-H697 PolarHBondContact O-N 3.25Å; C695-L698 HydrophobicContact CB-CD1 3.87Å; C695-L698 HydrophobicContact CB-CG 4.3Å; C695-L698 PolarHBondContact O-N 3.34Å; C695-L698 VanDerWaalsContact O-N 3.11Å | ||
| 696 | P | 53.2 | Low | 59.5 | Low | 93 Ų | 93 | 55.1 Ų | 55.1 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -16.9 | -177.1 | 26.9 | -35.1 | 0 | 0 | 0 | 113.6 | D694 S699 | D694-P696 WeakPolarHBondContact O-CD 3.44Å; P696-S699 WeakPolarHBondContact O-CB 3.4Å; P696-S699 PolarHBondContact O-N 3.35Å |
| 697 | H | 56.2 | Low | 57.1 | Low | 62 Ų | 62 | 58.1 Ų | 58.1 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -25.7 | 177.5 | 55.8 | -85.8 | 0 | 0 | 0 | 113.4 | C695 S699 A700 | C695-H697 PolarHBondContact O-N 3.25Å; H697-S699 PolarHBondContact O-N 2.86Å; H697-A700 WeakPolarHBondContact O-CB 3.49Å; H697-A700 PolarHBondContact O-N 2.83Å |
| 698 | L | 56.9 | Low | 54.3 | Low | 34 Ų | 34 | 66.8 Ų | 66.8 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -14.8 | 171.5 | -66.8 | 173 | 0 | 0 | 0 | 112.2 | L639 A651 I654 L690 C695 L716 | L639-L698 HydrophobicContact CD2-CD1 4Å; A651-L698 HydrophobicContact CB-CD2 4.25Å; I654-L698 HydrophobicContact CD1-CD1 3.99Å; I654-L698 HydrophobicContact CD1-CD2 4.02Å; L690-L698 HydrophobicContact CD2-CD1 4.16Å; C695-L698 HydrophobicContact CB-CD1 3.87Å; C695-L698 HydrophobicContact CB-CG 4.3Å; C695-L698 PolarHBondContact O-N 3.34Å; C695-L698 VanDerWaalsContact O-N 3.11Å; L698-L716 HydrophobicContact CD1-CD1 4.48Å |
| 699 | S | 49.9 | Very low | 52 | Low | 91 Ų | 91 | 71.7 Ų | 71.7 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -3.6 | 172.8 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | P696 H697 K701 | P696-S699 WeakPolarHBondContact O-CB 3.4Å; P696-S699 PolarHBondContact O-N 3.35Å; H697-S699 PolarHBondContact O-N 2.86Å; S699-K701 PolarHBondContact O-N 3.39Å |
| 700 | A | 42.6 | Very low | 50 | Low | 66 Ų | 66 | 77 Ų | 77 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -71 | 117.5 | 176 | 0 | 0 | 0 | 0 | 0 | 108.7 | H697 P702 | H697-A700 WeakPolarHBondContact O-CB 3.49Å; H697-A700 PolarHBondContact O-N 2.83Å; A700-P702 VanDerWaalsContact O-N 3.12Å |
| 701 | K | 38 | Very low | 48.5 | Very low | 183 Ų | 183 | 80.1 Ų | 80.1 | 80% | 0.796 | 47% | 0.47 | S | S | * | . | trans | -43.2 | 119 | 175.3 | -135.6 | 174.8 | -172.5 | 176 | 0 | 109 | S699 | S699-K701 PolarHBondContact O-N 3.39Š| ||
| 702 | P | 40.7 | Very low | 47.5 | Very low | 61 Ų | 61 | 82 Ų | 82 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | trans | -56.3 | 144 | 167.4 | 22.8 | -30.3 | 0 | 0 | 0 | 107.6 | A700 C704 | A700-P702 VanDerWaalsContact O-N 3.12Å; P702-C704 VanDerWaalsContact C-N 3.3Å; P702-C704 PolarHBondContact O-N 3.36Å | ||
| 703 | P | 33.7 | Very low | 46.9 | Very low | 91 Ų | 91 | 83.5 Ų | 83.5 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 98.2 | 172.7 | 26 | -29.6 | 0 | 0 | 0 | 107.9 | ||
| 704 | C | 31.9 | Very low | 47.2 | Very low | 104 Ų | 104 | 81.5 Ų | 81.5 | 70% | 0.703 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 84.2 | 175 | -116.4 | 0 | 0 | 0 | 0 | 117.9 | P702 | P702-C704 VanDerWaalsContact C-N 3.3Å; P702-C704 PolarHBondContact O-N 3.36Å |
| 705 | G | 43.2 | Very low | 48.1 | Very low | 49 Ų | 49 | 79.1 Ų | 79.1 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | 76.4 | 56.7 | 122.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | R526 T707 | R526-G705 PolarHBondContact NE-O 3.12Å; R526-G705 VanDerWaalsContact NE-O 3.11Å; R526-G705 PolarHBondContact NH1-O 3.46Å; R526-G705 VanDerWaalsContact NH1-O 3.15Å; R526-G705 PolarHBondContact NH2-O 3.34Å; G705-T707 PolarHBondContact O-N 3.42Å | |||
| 706 | T | 36.6 | Very low | 49.3 | Very low | 55 Ų | 55 | 79 Ų | 79 | 34% | 0.337 | 47% | 0.472 | S | S | . | . | trans | -65.8 | 114.1 | 160.4 | 33.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 707 | T | 36.6 | Very low | 50.8 | Low | 63 Ų | 63 | 74.7 Ų | 74.7 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | trans | 49.6 | 145 | 165 | 50 | 0 | 0 | 0 | 0 | 118.2 | L567 G705 T709 | L567-T707 HydrophobicContact CD2-CG2 4.16Å; G705-T707 PolarHBondContact O-N 3.42Å; T707-T709 CarbonylContact O-C 3.46Å; T707-T709 PolarHBondContact O-N 3.19Å; T707-T709 PolarHBondContact OG1-O 3.07Å | ||
| 708 | D | 32.7 | Very low | 52.2 | Low | 182 Ų | 182 | 73.4 Ų | 73.4 | 97% | 0.973 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -61.7 | 10.3 | 171.2 | -72.1 | -37.8 | 0 | 0 | 0 | 114.4 | ||
| 709 | T | 40.5 | Very low | 53.6 | Low | 110 Ų | 110 | 72.6 Ų | 72.6 | 68% | 0.675 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -117.8 | 86.8 | 167.4 | -31.9 | 0 | 0 | 0 | 0 | 107 | T707 L711 | T707-T709 CarbonylContact O-C 3.46Å; T707-T709 PolarHBondContact O-N 3.19Å; T707-T709 PolarHBondContact OG1-O 3.07Å; T709-L711 PolarHBondContact O-N 2.97Å |
| 710 | E | 42.6 | Very low | 55.5 | Low | 163 Ų | 163 | 68.2 Ų | 68.2 | 76% | 0.762 | 41% | 0.406 | S | S | * | . | trans | -57.3 | 107 | 172.3 | -71.7 | -177.1 | 154.3 | 0 | 0 | 108.2 | S712 | E710-S712 VanDerWaalsContact C-N 3.31Å; E710-S712 PolarHBondContact O-N 2.8Å | ||
| 711 | L | 54.1 | Low | 57.8 | Low | 72 Ų | 72 | 65.1 Ų | 65.1 | 38% | 0.377 | 38% | 0.38 | S | S | . | . | trans | -65.2 | 93 | 172 | -95.1 | 140.6 | 0 | 0 | 0 | 108.2 | D652 Y655 T709 | D652-L711 WeakPolarHBondContact OD1-CD1 3.36Å; Y655-L711 HydrophobicContact CD1-CD2 4.03Å; Y655-L711 HydrophobicContact CD2-CD2 3.37Å; Y655-L711 HydrophobicContact CE1-CD2 4.25Å; Y655-L711 HydrophobicContact CE2-CD2 3.61Å; Y655-L711 HydrophobicContact CG-CD2 3.59Å; T709-L711 PolarHBondContact O-N 2.97Å | ||
| 712 | S | 59.4 | Low | 60.3 | Low | 42 Ų | 42 | 60.2 Ų | 60.2 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | trans | -73.9 | 156.1 | -179.7 | 75.3 | 0 | 0 | 0 | 0 | 110.9 | E710 D714 S715 | E710-S712 VanDerWaalsContact C-N 3.31Å; E710-S712 PolarHBondContact O-N 2.8Å; S712-D714 WeakPolarHBondContact CB-OD2 3.39Å; S712-D714 PolarHBondContact O-N 3.47Å; S712-D714 VanDerWaalsContact OG-CB 3.25Å; S712-D714 WeakPolarHBondContact OG-CB 3.19Å; S712-D714 PolarHBondContact OG-N 2.94Å; S712-D714 PolarHBondContact OG-OD2 2.9Å; S712-S715 WeakPolarHBondContact O-CB 3.47Å; S712-S715 PolarHBondContact O-N 3.36Å | ||
| 713 | C | 60.5 | Low | 62.7 | Low | 47 Ų | 47 | 57.3 Ų | 57.3 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -49.5 | -26.9 | 168.3 | -167.6 | 0 | 0 | 0 | 0 | 112 | S715 L716 S717 | C713-S715 VanDerWaalsContact C-N 3.29Å; C713-S715 PolarHBondContact O-N 3.21Å; C713-L716 PolarHBondContact O-N 3.34Å; C713-S717 PolarHBondContact O-N 3.21Å; C713-S717 VanDerWaalsContact O-N 3.17Å; C713-S717 PolarHBondContact O-OG 3.03Å |
| 714 | D | 66.1 | Low | 65.4 | Low | 48 Ų | 48 | 53 Ų | 53 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.1 | -30.9 | 177.1 | -36.9 | -49.7 | 0 | 0 | 0 | 112.7 | S712 T718 F760 | S712-D714 WeakPolarHBondContact CB-OD2 3.39Å; S712-D714 PolarHBondContact O-N 3.47Å; S712-D714 VanDerWaalsContact OG-CB 3.25Å; S712-D714 WeakPolarHBondContact OG-CB 3.19Å; S712-D714 PolarHBondContact OG-N 2.94Å; S712-D714 PolarHBondContact OG-OD2 2.9Å; D714-T718 WeakPolarHBondContact O-CB 3.32Å; D714-T718 PolarHBondContact O-N 3.28Å; D714-T718 PolarHBondContact O-OG1 3.15Å; D714-F760 HydrophobicContact CB-CE2 3.96Å; D714-F760 HydrophobicContact CB-CZ 4Å |
| 715 | S | 76.1 | Confident | 68.2 | Low | 35 Ų | 35 | 48.6 Ų | 48.6 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 177.1 | -60.7 | 0 | 0 | 0 | 0 | 112 | S712 C713 T718 L719 | S712-S715 WeakPolarHBondContact O-CB 3.47Å; S712-S715 PolarHBondContact O-N 3.36Å; C713-S715 VanDerWaalsContact C-N 3.29Å; C713-S715 PolarHBondContact O-N 3.21Å; S715-T718 PolarHBondContact O-N 2.95Å; S715-L719 PolarHBondContact O-N 3.06Å |
| 716 | L | 84.3 | Confident | 70.4 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.7 | -66 | -180 | 0 | 0 | 0 | 111.9 | A651 I654 Y655 L658 L698 C713 L719 S720 | A651-L716 HydrophobicContact CB-CD1 4.46Å; I654-L716 HydrophobicContact CB-CD2 4.31Å; I654-L716 HydrophobicContact CG2-CD2 4.01Å; Y655-L716 HydrophobicContact CD2-CD2 4.2Å; Y655-L716 HydrophobicContact CG-CD2 4.46Å; L658-L716 HydrophobicContact CD1-CD2 4.28Å; L698-L716 HydrophobicContact CD1-CD1 4.48Å; C713-L716 PolarHBondContact O-N 3.34Å; L716-L719 PolarHBondContact O-N 3.38Å; L716-S720 WeakPolarHBondContact O-CB 3.36Å; L716-S720 PolarHBondContact O-N 3.41Å; L716-S720 PolarHBondContact O-OG 2.77Å |
| 717 | S | 84.5 | Confident | 72.8 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.7 | -38 | 176.8 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | L690 L691 C713 S720 C721 F760 | L690-S717 PolarHBondContact O-OG 3.05Å; L690-S717 VanDerWaalsContact O-OG 3.09Å; L691-S717 WeakPolarHBondContact CD2-O 3.31Å; C713-S717 PolarHBondContact O-N 3.21Å; C713-S717 VanDerWaalsContact O-N 3.17Å; C713-S717 PolarHBondContact O-OG 3.03Å; S717-S720 WeakPolarHBondContact O-CB 3.41Å; S717-S720 PolarHBondContact O-N 3.17Å; S717-S720 VanDerWaalsContact O-N 3.15Å; S717-C721 PolarHBondContact O-N 3.1Å; S717-C721 PolarHBondContact O-SG 2.86Å; S717-C721 VanDerWaalsContact O-SG 3.41Å; S717-F760 WeakPolarHBondContact OG-CZ 3.41Å |
| 718 | T | 84.8 | Confident | 75.2 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 22% | 0.221 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 175.3 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | D714 S715 S720 C721 H722 | D714-T718 WeakPolarHBondContact O-CB 3.32Å; D714-T718 PolarHBondContact O-N 3.28Å; D714-T718 PolarHBondContact O-OG1 3.15Å; S715-T718 PolarHBondContact O-N 2.95Å; T718-S720 VanDerWaalsContact C-N 3.27Å; T718-S720 PolarHBondContact O-N 3.13Å; T718-C721 WeakPolarHBondContact O-CB 3.41Å; T718-C721 PolarHBondContact O-N 3.08Å; T718-H722 PolarHBondContact O-N 2.78Å; T718-H722 PolarHBondContact O-ND1 2.96Å |
| 719 | L | 87 | Confident | 77.7 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -38 | 173.4 | -74.6 | 177.8 | 0 | 0 | 0 | 112 | Y655 L658 L662 S715 L716 C721 H722 L723 | Y655-L719 HydrophobicContact CD2-CD1 3.52Å; Y655-L719 HydrophobicContact CE2-CD1 3.45Å; Y655-L719 VanDerWaalsContact CE2-CD1 3.45Å; Y655-L719 HydrophobicContact CE2-CG 4.3Å; Y655-L719 HydrophobicContact CG-CD1 4.26Å; L658-L719 HydrophobicContact CB-CB 4.08Å; L658-L719 HydrophobicContact CB-CD1 3.82Å; L658-L719 HydrophobicContact CD1-CB 3.95Å; L658-L719 HydrophobicContact CD1-CD1 4.49Å; L662-L719 HydrophobicContact CD2-CD2 3.84Å; S715-L719 PolarHBondContact O-N 3.06Å; L716-L719 PolarHBondContact O-N 3.38Å; L719-C721 PolarHBondContact O-N 3.14Å; L719-H722 WeakPolarHBondContact O-CB 3.46Å; L719-H722 PolarHBondContact O-N 3.1Å; L719-L723 WeakPolarHBondContact O-CG 3.13Å; L719-L723 PolarHBondContact O-N 2.78Å |
| 720 | S | 90.7 | Very high | 79.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | L716 S717 T718 H722 L723 L724 | L716-S720 WeakPolarHBondContact O-CB 3.36Å; L716-S720 PolarHBondContact O-N 3.41Å; L716-S720 PolarHBondContact O-OG 2.77Å; S717-S720 WeakPolarHBondContact O-CB 3.41Å; S717-S720 PolarHBondContact O-N 3.17Å; S717-S720 VanDerWaalsContact O-N 3.15Å; T718-S720 VanDerWaalsContact C-N 3.27Å; T718-S720 PolarHBondContact O-N 3.13Å; S720-H722 PolarHBondContact O-N 3.47Å; S720-L723 PolarHBondContact O-N 2.93Å; S720-L724 VanDerWaalsContact O-CG 3.31Å; S720-L724 WeakPolarHBondContact O-CG 3.45Å; S720-L724 PolarHBondContact O-N 3.13Å |
| 721 | C | 90.3 | Very high | 81.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 172.7 | -72.2 | 0 | 0 | 0 | 0 | 112.5 | L691 S717 T718 L719 L724 C725 L767 | L691-C721 WeakPolarHBondContact CD2-SG 3.4Å; S717-C721 PolarHBondContact O-N 3.1Å; S717-C721 PolarHBondContact O-SG 2.86Å; S717-C721 VanDerWaalsContact O-SG 3.41Å; T718-C721 WeakPolarHBondContact O-CB 3.41Å; T718-C721 PolarHBondContact O-N 3.08Å; L719-C721 PolarHBondContact O-N 3.14Å; C721-L724 PolarHBondContact O-N 2.81Å; C721-C725 PolarHBondContact O-N 3.31Å; C721-C725 VanDerWaalsContact O-N 3.14Å; C721-C725 PolarHBondContact O-SG 2.93Å; C721-L767 HydrophobicContact CB-CD2 3.55Å; C721-L767 HydrophobicContact CB-CG 3.88Å |
| 722 | H | 89.5 | Confident | 83.1 | Confident | 79 Ų | 79 | 33.3 Ų | 33.3 | 37% | 0.366 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.3 | -74.9 | 92.2 | 0 | 0 | 0 | 111 | L662 T718 L719 S720 C725 F726 L767 | L662-H722 HydrophobicContact CD1-CB 4.28Å; T718-H722 PolarHBondContact O-N 2.78Å; T718-H722 PolarHBondContact O-ND1 2.96Å; L719-H722 WeakPolarHBondContact O-CB 3.46Å; L719-H722 PolarHBondContact O-N 3.1Å; S720-H722 PolarHBondContact O-N 3.47Å; H722-C725 WeakPolarHBondContact O-CB 3.45Å; H722-C725 PolarHBondContact O-N 3.17Å; H722-F726 VanDerWaalsContact O-CD2 3.3Å; H722-F726 WeakPolarHBondContact O-CD2 3.38Å; H722-L767 HydrophobicContact CB-CD2 4.36Å; H722-L767 WeakPolarHBondContact CE1-CD2 3.44Å; H722-L767 VanDerWaalsContact ND1-CD2 3.27Å; H722-L767 WeakPolarHBondContact ND1-CD2 3.39Å |
| 723 | L | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 179.3 | -69.2 | 168.8 | 0 | 0 | 0 | 111.9 | W632 L658 A661 L662 F665 F676 L687 L719 S720 C725 F726 | W632-L723 HydrophobicContact CH2-CD1 4.35Å; L658-L723 HydrophobicContact CB-CD1 4.33Å; L658-L723 HydrophobicContact CD2-CD1 3.78Å; A661-L723 HydrophobicContact CB-CD1 4.17Å; A661-L723 HydrophobicContact CB-CD2 4.1Å; L662-L723 HydrophobicContact CB-CD2 4.19Å; L662-L723 HydrophobicContact CD1-CD2 4.31Å; F665-L723 HydrophobicContact CD2-CD2 3.45Å; F665-L723 VanDerWaalsContact CD2-CD2 3.45Å; F665-L723 HydrophobicContact CE2-CD2 3.69Å; F665-L723 HydrophobicContact CG-CD2 4.2Å; F676-L723 WeakPolarHBondContact CZ-O 3.45Å; L687-L723 HydrophobicContact CD1-CB 3.84Å; L687-L723 HydrophobicContact CD2-CB 4.3Å; L687-L723 HydrophobicContact CD2-CD1 3.82Å; L719-L723 WeakPolarHBondContact O-CG 3.13Å; L719-L723 PolarHBondContact O-N 2.78Å; S720-L723 PolarHBondContact O-N 2.93Å; L723-C725 PolarHBondContact O-N 3.47Å; L723-F726 HydrophobicContact CD2-CE2 4.34Å; L723-F726 WeakPolarHBondContact O-CB 3.48Å; L723-F726 PolarHBondContact O-N 3.3Å |
| 724 | L | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69 | -17.1 | 176.2 | -67.6 | 167.9 | 0 | 0 | 0 | 113.6 | F676 V684 L687 L691 S720 C721 F726 Y744 V749 L771 | F676-L724 HydrophobicContact CE1-CD2 4.49Å; V684-L724 HydrophobicContact CG1-CD2 4.24Å; L687-L724 HydrophobicContact CB-CD1 4.33Å; L687-L724 HydrophobicContact CB-CD2 4.18Å; L687-L724 HydrophobicContact CB-CG 4.24Å; L687-L724 HydrophobicContact CD1-CD2 3.84Å; L687-L724 HydrophobicContact CD1-CG 3.98Å; L691-L724 HydrophobicContact CD1-CD1 3.54Å; S720-L724 VanDerWaalsContact O-CG 3.31Å; S720-L724 WeakPolarHBondContact O-CG 3.45Å; S720-L724 PolarHBondContact O-N 3.13Å; C721-L724 PolarHBondContact O-N 2.81Å; L724-F726 VanDerWaalsContact C-N 3.34Å; L724-Y744 WeakPolarHBondContact CA-OH 3.29Å; L724-Y744 HydrophobicContact CB-CE2 4.25Å; L724-Y744 HydrophobicContact CD2-CE1 4.2Å; L724-Y744 HydrophobicContact CD2-CE2 3.92Å; L724-Y744 WeakPolarHBondContact CD2-OH 3.44Å; L724-Y744 PolarHBondContact O-OH 3.4Å; L724-V749 HydrophobicContact CD1-CG1 4.08Å; L724-L771 HydrophobicContact CB-CD2 3.65Å; L724-L771 HydrophobicContact CD1-CD2 4.46Å |
| 725 | C | 90.1 | Very high | 86.6 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.088 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.9 | -20.5 | 173.7 | -74.5 | 0 | 0 | 0 | 0 | 113.6 | C721 H722 L723 F728 A729 L767 | C721-C725 PolarHBondContact O-N 3.31Å; C721-C725 VanDerWaalsContact O-N 3.14Å; C721-C725 PolarHBondContact O-SG 2.93Å; H722-C725 WeakPolarHBondContact O-CB 3.45Å; H722-C725 PolarHBondContact O-N 3.17Å; L723-C725 PolarHBondContact O-N 3.47Å; C725-F728 PolarHBondContact O-N 2.85Å; C725-F728 VanDerWaalsContact O-N 3.12Å; C725-A729 PolarHBondContact O-N 3.39Å; C725-L767 VanDerWaalsContact SG-CD1 3.58Å |
| 726 | F | 88.6 | Confident | 87.2 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 11% | 0.114 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -57.2 | -46.6 | -170.6 | -90.9 | -94 | 0 | 0 | 0 | 114.8 | L662 F665 T666 L669 F676 H722 L723 L724 F728 A729 | L662-F726 HydrophobicContact CD1-CE2 3.55Å; L662-F726 HydrophobicContact CD1-CZ 3.84Å; F665-F726 VanDerWaalsContact C-CE1 3.46Å; F665-F726 HydrophobicContact CB-CD1 3.78Å; F665-F726 HydrophobicContact CB-CD2 4.29Å; F665-F726 HydrophobicContact CB-CE1 3.43Å; F665-F726 VanDerWaalsContact CB-CE1 3.43Å; F665-F726 HydrophobicContact CB-CE2 3.98Å; F665-F726 HydrophobicContact CB-CG 4.18Å; F665-F726 HydrophobicContact CB-CZ 3.53Å; F665-F726 HydrophobicContact CD2-CD1 4.47Å; F665-F726 HydrophobicContact CD2-CD2 4.01Å; F665-F726 HydrophobicContact CD2-CE2 4.3Å; F665-F726 HydrophobicContact CD2-CG 4.07Å; F665-F726 WeakPolarHBondContact O-CE1 3.29Å; T666-F726 HydrophobicContact CG2-CE1 4.25Å; T666-F726 HydrophobicContact CG2-CZ 3.79Å; L669-F726 HydrophobicContact CD2-CD1 3.96Å; L669-F726 HydrophobicContact CD2-CE1 3.86Å; F676-F726 HydrophobicContact CE2-CB 4.42Å; F676-F726 HydrophobicContact CZ-CB 4.38Å; H722-F726 VanDerWaalsContact O-CD2 3.3Å; H722-F726 WeakPolarHBondContact O-CD2 3.38Å; L723-F726 HydrophobicContact CD2-CE2 4.34Å; L723-F726 WeakPolarHBondContact O-CB 3.48Å; L723-F726 PolarHBondContact O-N 3.3Å; L724-F726 VanDerWaalsContact C-N 3.34Å; F726-F728 PolarHBondContact O-N 2.7Å; F726-F728 VanDerWaalsContact O-N 3.13Å; F726-A729 WeakPolarHBondContact O-CB 3.43Å; F726-A729 PolarHBondContact O-N 2.87Å |
| 727 | P | 88.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -58.5 | -29.4 | 179.9 | -27.2 | 37.1 | 0 | 0 | 0 | 113.6 | F676 L732 M737 V740 | F676-P727 HydrophobicContact CB-CG 4.04Å; F676-P727 HydrophobicContact CD1-CG 3.87Å; F676-P727 HydrophobicContact CD2-CG 3.95Å; F676-P727 HydrophobicContact CE1-CG 4.24Å; F676-P727 HydrophobicContact CE2-CG 4.31Å; F676-P727 HydrophobicContact CG-CG 3.69Å; F676-P727 HydrophobicContact CZ-CG 4.41Å; P727-L732 HydrophobicContact CB-CD1 4.18Å; P727-M737 WeakPolarHBondContact O-CE 3.25Å; P727-V740 HydrophobicContact CB-CG1 3.89Å; P727-V740 HydrophobicContact CG-CG1 4Å |
| 728 | F | 86.7 | Confident | 87.7 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -80.2 | -16.1 | 179 | -59.2 | -77.2 | 0 | 0 | 0 | 113.8 | C725 F726 L730 L741 Y744 L771 R774 L775 C778 | C725-F728 PolarHBondContact O-N 2.85Å; C725-F728 VanDerWaalsContact O-N 3.12Å; F726-F728 PolarHBondContact O-N 2.7Å; F726-F728 VanDerWaalsContact O-N 3.13Å; F728-L730 VanDerWaalsContact C-N 3.28Å; F728-L741 HydrophobicContact CE1-CD2 4.28Å; F728-L741 HydrophobicContact CZ-CD2 4.21Å; F728-Y744 HydrophobicContact CE2-CE2 4.04Å; F728-L771 HydrophobicContact CD2-CD1 3.83Å; F728-L771 HydrophobicContact CE2-CD1 3.68Å; F728-R774 HydrophobicContact CD1-CB 4.29Å; F728-R774 HydrophobicContact CG-CB 4.47Å; F728-L775 HydrophobicContact CE1-CD2 4.44Å; F728-L775 HydrophobicContact CE2-CD2 4.21Å; F728-L775 HydrophobicContact CE2-CG 4.4Å; F728-L775 HydrophobicContact CZ-CD2 3.52Å; F728-L775 HydrophobicContact CZ-CG 3.96Å; F728-C778 HydrophobicContact CE1-CB 4.35Å |
| 729 | A | 84.3 | Confident | 87.9 | Confident | 78 Ų | 78 | 48 Ų | 48 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -82.7 | -8.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C725 F726 | C725-A729 PolarHBondContact O-N 3.39Å; F726-A729 WeakPolarHBondContact O-CB 3.43Å; F726-A729 PolarHBondContact O-N 2.87Å |
| 730 | L | 83.1 | Confident | 88.1 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -114.3 | 143.2 | -171.8 | -62 | 170.6 | 0 | 0 | 0 | 111.7 | L669 I673 F728 L732 | L669-L730 HydrophobicContact CB-CD1 4.08Å; L669-L730 HydrophobicContact CB-CD2 3.65Å; L669-L730 HydrophobicContact CD1-CD2 4Å; L669-L730 HydrophobicContact CD2-CD2 4.07Å; L669-L730 HydrophobicContact CG-CD2 4.11Å; L669-L730 VanDerWaalsContact O-CD1 3.3Å; L669-L730 WeakPolarHBondContact O-CD1 3.32Å; I673-L730 HydrophobicContact CD1-CD1 3.66Å; I673-L730 HydrophobicContact CG1-CD1 4.37Å; F728-L730 VanDerWaalsContact C-N 3.28Å; L730-L732 VanDerWaalsContact C-N 3.28Å; L730-L732 HydrophobicContact CB-CD2 3.88Å; L730-L732 HydrophobicContact CB-CG 3.99Å; L730-L732 PolarHBondContact O-N 2.99Å |
| 731 | D | 81.1 | Confident | 88.1 | Confident | 176 Ų | 176 | 48.1 Ų | 48.1 | 94% | 0.941 | 27% | 0.265 | S | S | * | . | trans | -80.4 | 77.2 | 175.5 | -165.3 | 13.4 | 0 | 0 | 0 | 110.1 | ||||
| 732 | L | 85.9 | Confident | 88.1 | Confident | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.141 | 29% | 0.287 | C | S | . | . | trans | -83.9 | 145.2 | -176 | -58.9 | -179.4 | 0 | 0 | 0 | 112 | I673 P727 L730 M737 | I673-L732 HydrophobicContact CD1-CD1 3.87Å; I673-L732 HydrophobicContact CD1-CD2 3.76Å; I673-L732 HydrophobicContact CD1-CG 4.44Å; I673-L732 HydrophobicContact CG1-CD2 3.89Å; P727-L732 HydrophobicContact CB-CD1 4.18Å; L730-L732 VanDerWaalsContact C-N 3.28Å; L730-L732 HydrophobicContact CB-CD2 3.88Å; L730-L732 HydrophobicContact CB-CG 3.99Å; L730-L732 PolarHBondContact O-N 2.99Å; L732-M737 HydrophobicContact CB-CE 4.27Å; L732-M737 HydrophobicContact CD1-CE 3.97Å; L732-M737 HydrophobicContact CG-CE 4.39Å | ||
| 733 | R | 86.4 | Confident | 88.1 | Confident | 167 Ų | 167 | 49.6 Ų | 49.6 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | trans | -58.2 | 142.5 | 172.5 | -62.8 | -178.1 | -62.8 | 174.5 | -2.1 | 110.2 | H735 T736 M737 | R733-H735 VanDerWaalsContact C-N 3.27Å; R733-H735 WeakPolarHBondContact CB-CE1 3.37Å; R733-H735 VanDerWaalsContact CZ-CE1 3.4Å; R733-H735 VanDerWaalsContact CZ-NE2 3.33Å; R733-H735 PolarHBondContact NE-CE1 3.15Å; R733-H735 PolarHBondContact NE-NE2 3.12Å; R733-H735 PolarHBondContact NH2-NE2 3.31Å; R733-H735 PolarHBondContact O-N 3.14Å; R733-H735 VanDerWaalsContact O-N 3.09Å; R733-T736 WeakPolarHBondContact O-CB 3.37Å; R733-T736 PolarHBondContact O-N 3.17Å; R733-M737 PolarHBondContact O-N 3.19Å; R733-M737 VanDerWaalsContact O-N 3.08Å | ||
| 734 | P | 86.9 | Confident | 88.1 | Confident | 114 Ų | 114 | 49.8 Ų | 49.8 | 74% | 0.74 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -54.1 | -37.6 | -173.6 | -29.7 | 34.7 | 0 | 0 | 0 | 115 | A738 | P734-A738 WeakPolarHBondContact O-CB 3.28Å; P734-A738 PolarHBondContact O-N 3.48Å |
| 735 | H | 87.8 | Confident | 87.8 | Confident | 109 Ų | 109 | 52 Ų | 52 | 51% | 0.505 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | 177.8 | 63 | -89 | 0 | 0 | 0 | 113.1 | R733 A739 | R733-H735 VanDerWaalsContact C-N 3.27Å; R733-H735 WeakPolarHBondContact CB-CE1 3.37Å; R733-H735 VanDerWaalsContact CZ-CE1 3.4Å; R733-H735 VanDerWaalsContact CZ-NE2 3.33Å; R733-H735 PolarHBondContact NE-CE1 3.15Å; R733-H735 PolarHBondContact NE-NE2 3.12Å; R733-H735 PolarHBondContact NH2-NE2 3.31Å; R733-H735 PolarHBondContact O-N 3.14Å; R733-H735 VanDerWaalsContact O-N 3.09Å; H735-A739 PolarHBondContact O-N 2.93Å; H735-A739 VanDerWaalsContact O-N 3.13Å |
| 736 | T | 87.9 | Confident | 87.6 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.3 | -43.7 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 110.1 | I673 R733 A738 A739 V740 | I673-T736 HydrophobicContact CG2-CG2 3.51Å; R733-T736 WeakPolarHBondContact O-CB 3.37Å; R733-T736 PolarHBondContact O-N 3.17Å; T736-A738 VanDerWaalsContact C-N 3.33Å; T736-A738 PolarHBondContact O-N 3.33Å; T736-A739 PolarHBondContact O-N 2.96Å; T736-V740 WeakPolarHBondContact O-CG2 3.41Å; T736-V740 PolarHBondContact O-N 3.41Å |
| 737 | M | 90.8 | Very high | 87.5 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 16% | 0.163 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 173.8 | -174.9 | 59.1 | 78 | 0 | 0 | 111.4 | P727 L732 R733 A739 V740 L741 | P727-M737 WeakPolarHBondContact O-CE 3.25Å; L732-M737 HydrophobicContact CB-CE 4.27Å; L732-M737 HydrophobicContact CD1-CE 3.97Å; L732-M737 HydrophobicContact CG-CE 4.39Å; R733-M737 PolarHBondContact O-N 3.19Å; R733-M737 VanDerWaalsContact O-N 3.08Å; M737-A739 VanDerWaalsContact C-N 3.31Å; M737-A739 PolarHBondContact O-N 2.95Å; M737-V740 PolarHBondContact O-N 3.09Å; M737-L741 HydrophobicContact CG-CD1 3.93Å; M737-L741 HydrophobicContact CG-CG 4.36Å; M737-L741 VanDerWaalsContact O-CG 3.29Å; M737-L741 WeakPolarHBondContact O-CG 3.37Å; M737-L741 PolarHBondContact O-N 3.18Å; M737-L741 HydrophobicContact SD-CD1 4.44Å; M737-L741 HydrophobicContact SD-CG 4.33Å |
| 738 | A | 88.4 | Confident | 87.4 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P734 T736 Q742 | P734-A738 WeakPolarHBondContact O-CB 3.28Å; P734-A738 PolarHBondContact O-N 3.48Å; T736-A738 VanDerWaalsContact C-N 3.33Å; T736-A738 PolarHBondContact O-N 3.33Å; A738-Q742 WeakPolarHBondContact O-CB 3.22Å; A738-Q742 PolarHBondContact O-N 3.44Å |
| 739 | A | 89.9 | Confident | 87.5 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | H735 T736 M737 Q742 V743 | H735-A739 PolarHBondContact O-N 2.93Å; H735-A739 VanDerWaalsContact O-N 3.13Å; T736-A739 PolarHBondContact O-N 2.96Å; M737-A739 VanDerWaalsContact C-N 3.31Å; M737-A739 PolarHBondContact O-N 2.95Å; A739-Q742 WeakPolarHBondContact O-CB 3.2Å; A739-Q742 PolarHBondContact O-N 3.34Å; A739-V743 WeakPolarHBondContact O-CG2 3.43Å; A739-V743 PolarHBondContact O-N 3.4Å |
| 740 | V | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | F676 P727 T736 M737 Q742 V743 Y744 | F676-V740 HydrophobicContact CB-CG1 4.22Å; F676-V740 HydrophobicContact CB-CG2 3.99Å; P727-V740 HydrophobicContact CB-CG1 3.89Å; P727-V740 HydrophobicContact CG-CG1 4Å; T736-V740 WeakPolarHBondContact O-CG2 3.41Å; T736-V740 PolarHBondContact O-N 3.41Å; M737-V740 PolarHBondContact O-N 3.09Å; V740-Q742 VanDerWaalsContact C-N 3.28Å; V740-Q742 PolarHBondContact O-N 3.11Å; V740-V743 PolarHBondContact O-N 3.49Å; V740-Y744 HydrophobicContact CG1-CD1 3.87Å; V740-Y744 HydrophobicContact CG1-CE1 3.58Å; V740-Y744 WeakPolarHBondContact O-CD1 3.43Å; V740-Y744 PolarHBondContact O-N 2.88Å |
| 741 | L | 90.1 | Very high | 87.7 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 178.3 | -67.4 | 168.6 | 0 | 0 | 0 | 111.7 | F728 M737 V743 Y744 D745 L775 C778 D779 | F728-L741 HydrophobicContact CE1-CD2 4.28Å; F728-L741 HydrophobicContact CZ-CD2 4.21Å; M737-L741 HydrophobicContact CG-CD1 3.93Å; M737-L741 HydrophobicContact CG-CG 4.36Å; M737-L741 VanDerWaalsContact O-CG 3.29Å; M737-L741 WeakPolarHBondContact O-CG 3.37Å; M737-L741 PolarHBondContact O-N 3.18Å; M737-L741 HydrophobicContact SD-CD1 4.44Å; M737-L741 HydrophobicContact SD-CG 4.33Å; L741-V743 VanDerWaalsContact C-N 3.35Å; L741-V743 PolarHBondContact O-N 3.27Å; L741-Y744 PolarHBondContact O-N 3.2Å; L741-D745 VanDerWaalsContact O-CB 3.25Å; L741-D745 WeakPolarHBondContact O-CB 3.48Å; L741-D745 PolarHBondContact O-N 3.47Å; L741-L775 HydrophobicContact CD2-CD2 4.02Å; L741-C778 HydrophobicContact CD1-CB 4.11Å; L741-C778 HydrophobicContact CD2-CB 4.22Å; L741-D779 HydrophobicContact CD1-CB 4.24Å |
| 742 | Q | 89.3 | Confident | 87.9 | Confident | 103 Ų | 103 | 45.5 Ų | 45.5 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 174.1 | -171.8 | -177.5 | 16.4 | 0 | 0 | 112.8 | A738 A739 V740 S746 | A738-Q742 WeakPolarHBondContact O-CB 3.22Å; A738-Q742 PolarHBondContact O-N 3.44Å; A739-Q742 WeakPolarHBondContact O-CB 3.2Å; A739-Q742 PolarHBondContact O-N 3.34Å; V740-Q742 VanDerWaalsContact C-N 3.28Å; V740-Q742 PolarHBondContact O-N 3.11Å; Q742-S746 WeakPolarHBondContact O-CB 3.34Å; Q742-S746 PolarHBondContact O-N 3.42Å; Q742-S746 PolarHBondContact O-OG 3.04Å |
| 743 | V | 89.8 | Confident | 88 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.7 | -46 | 175 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | F676 S677 K679 V684 A739 V740 L741 D745 S746 C747 | F676-V743 WeakPolarHBondContact O-CB 3.43Å; S677-V743 WeakPolarHBondContact O-CG2 3.48Å; K679-V743 HydrophobicContact CG-CG2 4Å; V684-V743 HydrophobicContact CB-CG1 3.77Å; V684-V743 HydrophobicContact CG1-CG1 4.08Å; V684-V743 HydrophobicContact CG2-CG1 3.79Å; A739-V743 WeakPolarHBondContact O-CG2 3.43Å; A739-V743 PolarHBondContact O-N 3.4Å; V740-V743 PolarHBondContact O-N 3.49Å; L741-V743 VanDerWaalsContact C-N 3.35Å; L741-V743 PolarHBondContact O-N 3.27Å; V743-D745 VanDerWaalsContact C-N 3.29Å; V743-D745 PolarHBondContact O-N 3.3Å; V743-S746 WeakPolarHBondContact CA-OG 3.49Å; V743-S746 PolarHBondContact O-N 3Å; V743-S746 VanDerWaalsContact O-N 3.15Å; V743-S746 PolarHBondContact O-OG 3.37Å; V743-C747 PolarHBondContact O-N 3.45Å; V743-C747 PolarHBondContact O-SG 3.12Å |
| 744 | Y | 91.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 179 | -82 | 43.7 | 0 | 0 | 0 | 111.6 | F676 V684 L724 F728 V740 L741 C747 H748 V749 L775 | F676-Y744 AromaticContact CD1-CE1 3.95Å; F676-Y744 HydrophobicContact CD1-CE1 3.95Å; F676-Y744 WeakPolarHBondContact CD1-OH 3.43Å; V684-Y744 HydrophobicContact CG1-CD1 3.82Å; V684-Y744 HydrophobicContact CG1-CE1 4.04Å; V684-Y744 HydrophobicContact CG1-CG 4.43Å; V684-Y744 HydrophobicContact CG2-CD1 4.12Å; V684-Y744 HydrophobicContact CG2-CE1 3.75Å; L724-Y744 WeakPolarHBondContact CA-OH 3.29Å; L724-Y744 HydrophobicContact CB-CE2 4.25Å; L724-Y744 HydrophobicContact CD2-CE1 4.2Å; L724-Y744 HydrophobicContact CD2-CE2 3.92Å; L724-Y744 WeakPolarHBondContact CD2-OH 3.44Å; L724-Y744 PolarHBondContact O-OH 3.4Å; F728-Y744 HydrophobicContact CE2-CE2 4.04Å; V740-Y744 HydrophobicContact CG1-CD1 3.87Å; V740-Y744 HydrophobicContact CG1-CE1 3.58Å; V740-Y744 WeakPolarHBondContact O-CD1 3.43Å; V740-Y744 PolarHBondContact O-N 2.88Å; L741-Y744 PolarHBondContact O-N 3.2Å; Y744-C747 PolarHBondContact O-N 3.23Å; Y744-H748 PolarHBondContact O-N 3.14Å; Y744-H748 VanDerWaalsContact O-N 3.16Å; Y744-V749 HydrophobicContact CD2-CB 4.18Å; Y744-V749 HydrophobicContact CD2-CG1 3.97Å; Y744-V749 HydrophobicContact CD2-CG2 4.14Å; Y744-V749 HydrophobicContact CE2-CG1 4.45Å; Y744-V749 HydrophobicContact CG-CB 4.44Å; Y744-V749 HydrophobicContact CG-CG2 4.07Å; Y744-V749 WeakPolarHBondContact O-CG2 3.49Å; Y744-V749 PolarHBondContact O-N 3.45Å; Y744-V749 VanDerWaalsContact O-N 3.09Å; Y744-L775 HydrophobicContact CD2-CD1 4.48Å; Y744-L775 HydrophobicContact CD2-CD2 3.78Å; Y744-L775 HydrophobicContact CE2-CD2 4.49Å |
| 745 | D | 86.2 | Confident | 87.7 | Confident | 48 Ų | 48 | 34.1 Ų | 34.1 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.2 | -50.9 | 173 | -175.8 | 76 | 0 | 0 | 0 | 111.5 | L741 V743 C747 H748 H786 | L741-D745 VanDerWaalsContact O-CB 3.25Å; L741-D745 WeakPolarHBondContact O-CB 3.48Å; L741-D745 PolarHBondContact O-N 3.47Å; V743-D745 VanDerWaalsContact C-N 3.29Å; V743-D745 PolarHBondContact O-N 3.3Å; D745-C747 PolarHBondContact O-N 3.45Å; D745-H748 PolarHBondContact O-N 3.05Å; D745-H786 IonicContact OD1-CD2 3.49Å; D745-H786 PolarHBondContact OD1-CD2 3.27Å; D745-H786 IonicContact OD1-CE1 2.9Å; D745-H786 IonicContact OD1-NE2 3.51Å; D745-H786 PolarHBondContact OD1-NE2 2.9Å; D745-H786 IonicContact OD2-NE2 3.34Å |
| 746 | S | 86.8 | Confident | 87.5 | Confident | 51 Ų | 51 | 29 Ų | 29 | 36% | 0.357 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.1 | -21.5 | -179.8 | 69.8 | 0 | 0 | 0 | 0 | 114.6 | Q742 V743 | Q742-S746 WeakPolarHBondContact O-CB 3.34Å; Q742-S746 PolarHBondContact O-N 3.42Å; Q742-S746 PolarHBondContact O-OG 3.04Å; V743-S746 WeakPolarHBondContact CA-OG 3.49Å; V743-S746 PolarHBondContact O-N 3Å; V743-S746 VanDerWaalsContact O-N 3.15Å; V743-S746 PolarHBondContact O-OG 3.37Å |
| 747 | C | 86.5 | Confident | 87.4 | Confident | 23 Ų | 23 | 27.9 Ų | 27.9 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.3 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 113 | V684 C688 V743 Y744 D745 V749 | V684-C747 HydrophobicContact CG1-CB 3.99Å; C688-C747 HydrophobicContact CB-CB 4.41Å; C688-C747 PolarHBondContact SG-O 2.97Å; V743-C747 PolarHBondContact O-N 3.45Å; V743-C747 PolarHBondContact O-SG 3.12Å; Y744-C747 PolarHBondContact O-N 3.23Å; D745-C747 PolarHBondContact O-N 3.45Å; C747-V749 VanDerWaalsContact C-N 3.34Å; C747-V749 HydrophobicContact CB-CG2 4.21Å; C747-V749 PolarHBondContact O-N 3.41Å |
| 748 | H | 86.4 | Confident | 87 | Confident | 97 Ų | 97 | 27.7 Ų | 27.7 | 45% | 0.449 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 35.7 | -177.4 | -52 | -70.2 | 0 | 0 | 0 | 114.7 | Y744 D745 A750 S751 S752 H786 | Y744-H748 PolarHBondContact O-N 3.14Å; Y744-H748 VanDerWaalsContact O-N 3.16Å; D745-H748 PolarHBondContact O-N 3.05Å; H748-A750 VanDerWaalsContact C-N 3.27Å; H748-A750 PolarHBondContact O-N 3.26Å; H748-S751 WeakPolarHBondContact O-CB 3.22Å; H748-S751 PolarHBondContact O-N 3.31Å; H748-S752 PolarHBondContact O-N 2.66Å; H748-H786 AromaticContact CE1-CE1 3.85Å; H748-H786 AromaticContact CE1-ND1 3.9Å; H748-H786 AromaticContact ND1-CE1 3.58Å; H748-H786 AromaticContact ND1-ND1 3.32Å; H748-H786 PolarHBondContact ND1-ND1 2.94Å |
| 749 | V | 88.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.9 | -40.7 | -177.7 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | V684 C688 L724 Y744 C747 S751 S752 L753 L775 | V684-V749 HydrophobicContact CG1-CG2 3.78Å; C688-V749 HydrophobicContact CB-CG2 4.4Å; L724-V749 HydrophobicContact CD1-CG1 4.08Å; Y744-V749 HydrophobicContact CD2-CB 4.18Å; Y744-V749 HydrophobicContact CD2-CG1 3.97Å; Y744-V749 HydrophobicContact CD2-CG2 4.14Å; Y744-V749 HydrophobicContact CE2-CG1 4.45Å; Y744-V749 HydrophobicContact CG-CB 4.44Å; Y744-V749 HydrophobicContact CG-CG2 4.07Å; Y744-V749 WeakPolarHBondContact O-CG2 3.49Å; Y744-V749 PolarHBondContact O-N 3.45Å; Y744-V749 VanDerWaalsContact O-N 3.09Å; C747-V749 VanDerWaalsContact C-N 3.34Å; C747-V749 HydrophobicContact CB-CG2 4.21Å; C747-V749 PolarHBondContact O-N 3.41Å; V749-S751 VanDerWaalsContact C-N 3.31Å; V749-S751 PolarHBondContact O-N 3.19Å; V749-S752 PolarHBondContact O-N 2.75Å; V749-L753 HydrophobicContact CG1-CD1 3.84Å; V749-L753 HydrophobicContact CG1-CG 4.21Å; V749-L753 WeakPolarHBondContact O-CB 3.4Å; V749-L753 WeakPolarHBondContact O-CG 3.48Å; V749-L753 PolarHBondContact O-N 3.44Å; V749-L775 HydrophobicContact CG1-CD1 4.23Å |
| 750 | A | 86.4 | Confident | 86.1 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H748 L754 L772 V787 | H748-A750 VanDerWaalsContact C-N 3.27Å; H748-A750 PolarHBondContact O-N 3.26Å; A750-L754 PolarHBondContact O-N 2.97Å; A750-L754 VanDerWaalsContact O-N 3.15Å; A750-L772 HydrophobicContact CB-CD1 3.92Å; A750-V787 HydrophobicContact CB-CG2 4.09Å |
| 751 | S | 83.6 | Confident | 85.6 | Confident | 31 Ų | 31 | 28.6 Ų | 28.6 | 22% | 0.217 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.7 | -43.7 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | H748 V749 L754 Q755 H786 | H748-S751 WeakPolarHBondContact O-CB 3.22Å; H748-S751 PolarHBondContact O-N 3.31Å; V749-S751 VanDerWaalsContact C-N 3.31Å; V749-S751 PolarHBondContact O-N 3.19Å; S751-L754 PolarHBondContact O-N 3.48Å; S751-Q755 PolarHBondContact O-N 3.48Å; S751-H786 PolarHBondContact OG-O 3.19Å |
| 752 | S | 85.2 | Confident | 85.1 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | C688 S692 H748 V749 L754 Q755 V756 | C688-S752 PolarHBondContact SG-OG 3.38Å; S692-S752 PolarHBondContact OG-OG 2.92Å; H748-S752 PolarHBondContact O-N 2.66Å; V749-S752 PolarHBondContact O-N 2.75Å; S752-L754 VanDerWaalsContact C-N 3.29Å; S752-L754 PolarHBondContact O-N 2.97Å; S752-Q755 WeakPolarHBondContact O-CB 3.24Å; S752-Q755 PolarHBondContact O-N 3.05Å; S752-Q755 VanDerWaalsContact O-N 3.16Å; S752-V756 WeakPolarHBondContact O-CG2 3.08Å; S752-V756 PolarHBondContact O-N 3.29Å |
| 753 | L | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | 174.5 | -73.5 | 171.2 | 0 | 0 | 0 | 112 | L691 V749 Q755 V756 I757 P768 L771 L772 L775 | L691-L753 HydrophobicContact CD1-CD2 3.9Å; L691-L753 HydrophobicContact CD1-CG 4.28Å; V749-L753 HydrophobicContact CG1-CD1 3.84Å; V749-L753 HydrophobicContact CG1-CG 4.21Å; V749-L753 WeakPolarHBondContact O-CB 3.4Å; V749-L753 WeakPolarHBondContact O-CG 3.48Å; V749-L753 PolarHBondContact O-N 3.44Å; L753-Q755 VanDerWaalsContact C-N 3.33Å; L753-V756 WeakPolarHBondContact O-CB 3.41Å; L753-V756 PolarHBondContact O-N 3.37Å; L753-I757 WeakPolarHBondContact O-CD1 3.37Å; L753-I757 VanDerWaalsContact O-CG1 3.24Å; L753-I757 WeakPolarHBondContact O-CG1 3.46Å; L753-I757 PolarHBondContact O-N 3.15Å; L753-P768 HydrophobicContact CD2-CB 4.41Å; L753-L771 HydrophobicContact CD1-CB 4.36Å; L753-L771 HydrophobicContact CD1-CD2 3.77Å; L753-L771 HydrophobicContact CD1-CG 3.76Å; L753-L771 HydrophobicContact CD2-CD2 3.94Å; L753-L771 HydrophobicContact CG-CD2 4.48Å; L753-L772 HydrophobicContact CD1-CB 4.38Å; L753-L775 HydrophobicContact CD1-CD1 3.79Å |
| 754 | L | 85.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70 | -32 | 176.8 | -157.8 | 80.4 | 0 | 0 | 0 | 112.7 | A750 S751 S752 I757 Q758 L772 A791 F794 F795 | A750-L754 PolarHBondContact O-N 2.97Å; A750-L754 VanDerWaalsContact O-N 3.15Å; S751-L754 PolarHBondContact O-N 3.48Å; S752-L754 VanDerWaalsContact C-N 3.29Å; S752-L754 PolarHBondContact O-N 2.97Å; L754-I757 HydrophobicContact CD1-CD1 4.39Å; L754-I757 PolarHBondContact O-N 2.96Å; L754-Q758 WeakPolarHBondContact O-CG 3.42Å; L754-Q758 PolarHBondContact O-N 3.05Å; L754-Q758 PolarHBondContact O-NE2 2.83Å; L754-L772 HydrophobicContact CD1-CD2 3.78Å; L754-A791 HydrophobicContact CD2-CB 3.08Å; L754-A791 HydrophobicContact CG-CB 4.48Å; L754-F794 HydrophobicContact CD1-CD1 3.73Å; L754-F794 HydrophobicContact CD1-CE1 4.01Å; L754-F794 HydrophobicContact CD1-CG 4.26Å; L754-F794 HydrophobicContact CD2-CB 3.9Å; L754-F794 HydrophobicContact CD2-CD1 4.29Å; L754-F794 HydrophobicContact CD2-CG 4.31Å; L754-F794 HydrophobicContact CG-CB 4.39Å; L754-F794 HydrophobicContact CG-CD1 4.28Å; L754-F794 HydrophobicContact CG-CG 4.35Å; L754-F795 HydrophobicContact CD1-CE2 4.09Å; L754-F795 HydrophobicContact CD1-CZ 4.03Å; L754-F795 HydrophobicContact CD2-CE2 3.83Å |
| 755 | Q | 81.4 | Confident | 83.9 | Confident | 68 Ų | 68 | 31.4 Ų | 31.4 | 32% | 0.318 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 172 | -172.3 | 177.9 | 14.2 | 0 | 0 | 110.7 | S751 S752 L753 I757 Q758 T759 | S751-Q755 PolarHBondContact O-N 3.48Å; S752-Q755 WeakPolarHBondContact O-CB 3.24Å; S752-Q755 PolarHBondContact O-N 3.05Å; S752-Q755 VanDerWaalsContact O-N 3.16Å; L753-Q755 VanDerWaalsContact C-N 3.33Å; Q755-I757 VanDerWaalsContact C-N 3.35Å; Q755-I757 PolarHBondContact O-N 3.49Å; Q755-Q758 WeakPolarHBondContact O-CB 3.25Å; Q755-Q758 PolarHBondContact O-N 2.77Å; Q755-Q758 VanDerWaalsContact O-N 3.15Å; Q755-T759 PolarHBondContact O-N 3.38Å; Q755-T759 PolarHBondContact O-OG1 3.17Å; Q755-T759 VanDerWaalsContact O-OG1 3.12Å |
| 756 | V | 83.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 174 | 166.8 | 0 | 0 | 0 | 0 | 110.9 | L691 S752 L753 Q758 T759 F760 P768 | L691-V756 HydrophobicContact CB-CG2 3.99Å; L691-V756 HydrophobicContact CD2-CG2 4.13Å; L691-V756 WeakPolarHBondContact O-CG2 3.4Å; S752-V756 WeakPolarHBondContact O-CG2 3.08Å; S752-V756 PolarHBondContact O-N 3.29Å; L753-V756 WeakPolarHBondContact O-CB 3.41Å; L753-V756 PolarHBondContact O-N 3.37Å; V756-Q758 PolarHBondContact O-N 3.21Å; V756-T759 PolarHBondContact O-N 3.14Å; V756-T759 VanDerWaalsContact O-N 3.1Å; V756-T759 PolarHBondContact O-OG1 3.21Å; V756-F760 HydrophobicContact CB-CD1 4.11Å; V756-F760 HydrophobicContact CB-CE1 4.2Å; V756-F760 HydrophobicContact CG1-CB 4.4Å; V756-F760 HydrophobicContact CG1-CD1 3.52Å; V756-F760 HydrophobicContact CG1-CD2 3.65Å; V756-F760 HydrophobicContact CG1-CE1 3.7Å; V756-F760 HydrophobicContact CG1-CE2 3.8Å; V756-F760 HydrophobicContact CG1-CG 3.54Å; V756-F760 HydrophobicContact CG1-CZ 3.87Å; V756-F760 HydrophobicContact CG2-CD1 4.48Å; V756-F760 HydrophobicContact CG2-CE1 4.1Å; V756-F760 HydrophobicContact CG2-CZ 4.47Å; V756-F760 VanDerWaalsContact O-CB 3.24Å; V756-F760 WeakPolarHBondContact O-CB 3.48Å; V756-F760 VanDerWaalsContact O-CD1 3.23Å; V756-F760 WeakPolarHBondContact O-CD1 3.22Å; V756-F760 WeakPolarHBondContact O-CG 3.25Å; V756-F760 PolarHBondContact O-N 3.25Å; V756-P768 HydrophobicContact CG1-CB 4.11Å; V756-P768 HydrophobicContact CG1-CG 3.82Å |
| 757 | I | 86.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -32.8 | 179.1 | -69.9 | 159.1 | 0 | 0 | 0 | 112.3 | L753 L754 Q755 L765 P768 L769 L772 F794 L819 | L753-I757 WeakPolarHBondContact O-CD1 3.37Å; L753-I757 VanDerWaalsContact O-CG1 3.24Å; L753-I757 WeakPolarHBondContact O-CG1 3.46Å; L753-I757 PolarHBondContact O-N 3.15Å; L754-I757 HydrophobicContact CD1-CD1 4.39Å; L754-I757 PolarHBondContact O-N 2.96Å; Q755-I757 VanDerWaalsContact C-N 3.35Å; Q755-I757 PolarHBondContact O-N 3.49Å; I757-L765 HydrophobicContact CB-CD2 4.43Å; I757-P768 HydrophobicContact CD1-CB 4.37Å; I757-P768 HydrophobicContact CG1-CB 3.82Å; I757-L769 HydrophobicContact CD1-CD2 3.85Å; I757-L769 HydrophobicContact CD1-CG 4.4Å; I757-L769 HydrophobicContact CG1-CD2 4.12Å; I757-L769 HydrophobicContact CG1-CG 4.37Å; I757-L769 HydrophobicContact CG2-CD2 3.98Å; I757-L772 HydrophobicContact CD1-CD2 3.81Å; I757-F794 HydrophobicContact CG2-CE2 4.03Å; I757-F794 HydrophobicContact CG2-CZ 3.89Å; I757-L819 HydrophobicContact CG2-CD2 3.93Å |
| 758 | Q | 83.3 | Confident | 84.1 | Confident | 29 Ų | 29 | 32.9 Ų | 32.9 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -77.3 | -25 | 179.4 | -73.9 | 172 | 71.1 | 0 | 0 | 113.8 | L754 Q755 V756 F794 | L754-Q758 WeakPolarHBondContact O-CG 3.42Å; L754-Q758 PolarHBondContact O-N 3.05Å; L754-Q758 PolarHBondContact O-NE2 2.83Å; Q755-Q758 WeakPolarHBondContact O-CB 3.25Å; Q755-Q758 PolarHBondContact O-N 2.77Å; Q755-Q758 VanDerWaalsContact O-N 3.15Å; V756-Q758 PolarHBondContact O-N 3.21Å; Q758-F794 HydrophobicContact CG-CB 4.29Å; Q758-F794 HydrophobicContact CG-CD2 3.55Å; Q758-F794 HydrophobicContact CG-CE2 4.25Å; Q758-F794 HydrophobicContact CG-CG 4.23Å |
| 759 | T | 78.2 | Confident | 84.2 | Confident | 55 Ų | 55 | 28.3 Ų | 28.3 | 34% | 0.337 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -107.6 | -31.2 | -172.2 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | Q755 V756 R814 | Q755-T759 PolarHBondContact O-N 3.38Å; Q755-T759 PolarHBondContact O-OG1 3.17Å; Q755-T759 VanDerWaalsContact O-OG1 3.12Å; V756-T759 PolarHBondContact O-N 3.14Å; V756-T759 VanDerWaalsContact O-N 3.1Å; V756-T759 PolarHBondContact O-OG1 3.21Å; T759-R814 PolarHBondContact O-NH2 3.42Å |
| 760 | F | 80 | Confident | 84.1 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -70.5 | 147.8 | -168.9 | -89.5 | 39.8 | 0 | 0 | 0 | 113.6 | D714 S717 V756 Q764 L765 R814 | D714-F760 HydrophobicContact CB-CE2 3.96Å; D714-F760 HydrophobicContact CB-CZ 4Å; S717-F760 WeakPolarHBondContact OG-CZ 3.41Å; V756-F760 HydrophobicContact CB-CD1 4.11Å; V756-F760 HydrophobicContact CB-CE1 4.2Å; V756-F760 HydrophobicContact CG1-CB 4.4Å; V756-F760 HydrophobicContact CG1-CD1 3.52Å; V756-F760 HydrophobicContact CG1-CD2 3.65Å; V756-F760 HydrophobicContact CG1-CE1 3.7Å; V756-F760 HydrophobicContact CG1-CE2 3.8Å; V756-F760 HydrophobicContact CG1-CG 3.54Å; V756-F760 HydrophobicContact CG1-CZ 3.87Å; V756-F760 HydrophobicContact CG2-CD1 4.48Å; V756-F760 HydrophobicContact CG2-CE1 4.1Å; V756-F760 HydrophobicContact CG2-CZ 4.47Å; V756-F760 VanDerWaalsContact O-CB 3.24Å; V756-F760 WeakPolarHBondContact O-CB 3.48Å; V756-F760 VanDerWaalsContact O-CD1 3.23Å; V756-F760 WeakPolarHBondContact O-CD1 3.22Å; V756-F760 WeakPolarHBondContact O-CG 3.25Å; V756-F760 PolarHBondContact O-N 3.25Å; F760-Q764 HydrophobicContact CD2-CB 4.28Å; F760-L765 HydrophobicContact CB-CD2 3.58Å; F760-L765 HydrophobicContact CB-CG 4.43Å; F760-R814 PolarHBondContact O-NH1 3.19Å; F760-R814 PolarHBondContact O-NH2 3.34Å |
| 761 | P | 79.9 | Confident | 84.3 | Confident | 42 Ų | 42 | 28.6 Ų | 28.6 | 27% | 0.273 | 16% | 0.162 | S | C | . | . | trans | -58.4 | 141.1 | 173.3 | 26 | -33.1 | 0 | 0 | 0 | 110.4 | S763 Q764 | P761-S763 PolarHBondContact O-N 3.3Å; P761-Q764 HydrophobicContact CG-CB 4.28Å; P761-Q764 HydrophobicContact CG-CG 4.11Å; P761-Q764 PolarHBondContact O-N 3.26Å | ||
| 762 | P | 79.6 | Confident | 84.5 | Confident | 35 Ų | 35 | 27.1 Ų | 27.1 | 23% | 0.227 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -52.8 | -30.7 | -175.8 | -30.3 | 36.6 | 0 | 0 | 0 | 115.7 | Q764 L765 L823 L829 | P762-Q764 PolarHBondContact O-N 3Å; P762-L765 PolarHBondContact O-N 2.8Å; P762-L823 HydrophobicContact CB-CD2 3.91Å; P762-L829 HydrophobicContact CB-CD1 3.54Å; P762-L829 HydrophobicContact CB-CD2 4.35Å |
| 763 | S | 78.6 | Confident | 84.6 | Confident | 91 Ų | 91 | 27 Ų | 27 | 64% | 0.636 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -66.4 | -15.4 | 177.9 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | P761 | P761-S763 PolarHBondContact O-N 3.3Š|
| 764 | Q | 81.9 | Confident | 84.6 | Confident | 64 Ų | 64 | 31.7 Ų | 31.7 | 30% | 0.299 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -112 | 7.8 | -178.5 | -65.1 | 178.9 | -11.5 | 0 | 0 | 113 | F760 P761 P762 P768 | F760-Q764 HydrophobicContact CD2-CB 4.28Å; P761-Q764 HydrophobicContact CG-CB 4.28Å; P761-Q764 HydrophobicContact CG-CG 4.11Å; P761-Q764 PolarHBondContact O-N 3.26Å; P762-Q764 PolarHBondContact O-N 3Å; Q764-P768 VanDerWaalsContact O-CD 3.28Å; Q764-P768 WeakPolarHBondContact O-CD 3.31Å |
| 765 | L | 86.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -83.6 | -18.8 | -172.9 | -71.2 | -179.3 | 0 | 0 | 0 | 115 | I757 F760 P762 L767 P768 L769 L819 | I757-L765 HydrophobicContact CB-CD2 4.43Å; F760-L765 HydrophobicContact CB-CD2 3.58Å; F760-L765 HydrophobicContact CB-CG 4.43Å; P762-L765 PolarHBondContact O-N 2.8Å; L765-L767 VanDerWaalsContact C-N 3.31Å; L765-L767 PolarHBondContact O-N 3.03Å; L765-P768 WeakPolarHBondContact O-CD 3.45Å; L765-L769 HydrophobicContact CB-CD1 3.98Å; L765-L769 HydrophobicContact CB-CG 4.46Å; L765-L769 VanDerWaalsContact O-CB 3.31Å; L765-L769 WeakPolarHBondContact O-CB 3.37Å; L765-L769 WeakPolarHBondContact O-CD1 3.18Å; L765-L769 WeakPolarHBondContact O-CG 3.29Å; L765-L769 PolarHBondContact O-N 2.81Å; L765-L819 HydrophobicContact CD1-CD1 3.49Å; L765-L819 VanDerWaalsContact CD1-CD1 3.49Å; L765-L819 HydrophobicContact CD1-CD2 3.97Å; L765-L819 HydrophobicContact CD1-CG 4.32Å | ||
| 766 | E | 85.3 | Confident | 84.7 | Confident | 112 Ų | 112 | 28.9 Ų | 28.9 | 52% | 0.523 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -53.4 | -49.2 | -176.1 | -167.5 | -173.9 | 160.6 | 0 | 0 | 111.8 | L769 S770 C832 | E766-L769 PolarHBondContact O-N 3.41Å; E766-S770 WeakPolarHBondContact O-CB 3.31Å; E766-S770 PolarHBondContact O-N 2.73Å; E766-C832 PolarHBondContact N-SG 3.02Å |
| 767 | L | 87.4 | Confident | 84.7 | Confident | 39 Ų | 39 | 34.2 Ų | 34.2 | 20% | 0.204 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.5 | -50 | -175.6 | -179.4 | 71.8 | 0 | 0 | 0 | 113.2 | C721 H722 C725 L765 L769 S770 L771 | C721-L767 HydrophobicContact CB-CD2 3.55Å; C721-L767 HydrophobicContact CB-CG 3.88Å; H722-L767 HydrophobicContact CB-CD2 4.36Å; H722-L767 WeakPolarHBondContact CE1-CD2 3.44Å; H722-L767 VanDerWaalsContact ND1-CD2 3.27Å; H722-L767 WeakPolarHBondContact ND1-CD2 3.39Å; C725-L767 VanDerWaalsContact SG-CD1 3.58Å; L765-L767 VanDerWaalsContact C-N 3.31Å; L765-L767 PolarHBondContact O-N 3.03Å; L767-L769 VanDerWaalsContact C-N 3.31Å; L767-L769 PolarHBondContact O-N 3.15Å; L767-S770 PolarHBondContact O-N 2.98Å; L767-L771 WeakPolarHBondContact O-CB 3.13Å; L767-L771 PolarHBondContact O-N 3.17Å |
| 768 | P | 89.5 | Confident | 84.6 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.4 | -42.1 | 172 | -25.5 | 31.1 | 0 | 0 | 0 | 113.8 | L753 V756 I757 Q764 L765 L772 | L753-P768 HydrophobicContact CD2-CB 4.41Å; V756-P768 HydrophobicContact CG1-CB 4.11Å; V756-P768 HydrophobicContact CG1-CG 3.82Å; I757-P768 HydrophobicContact CD1-CB 4.37Å; I757-P768 HydrophobicContact CG1-CB 3.82Å; Q764-P768 VanDerWaalsContact O-CD 3.28Å; Q764-P768 WeakPolarHBondContact O-CD 3.31Å; L765-P768 WeakPolarHBondContact O-CD 3.45Å; P768-L772 WeakPolarHBondContact O-CB 3.45Å; P768-L772 PolarHBondContact O-N 3.48Å |
| 769 | L | 88.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 178.4 | -72.9 | 169.2 | 0 | 0 | 0 | 111.2 | I757 L765 E766 L767 L772 S773 E835 L836 L839 | I757-L769 HydrophobicContact CD1-CD2 3.85Å; I757-L769 HydrophobicContact CD1-CG 4.4Å; I757-L769 HydrophobicContact CG1-CD2 4.12Å; I757-L769 HydrophobicContact CG1-CG 4.37Å; I757-L769 HydrophobicContact CG2-CD2 3.98Å; L765-L769 HydrophobicContact CB-CD1 3.98Å; L765-L769 HydrophobicContact CB-CG 4.46Å; L765-L769 VanDerWaalsContact O-CB 3.31Å; L765-L769 WeakPolarHBondContact O-CB 3.37Å; L765-L769 WeakPolarHBondContact O-CD1 3.18Å; L765-L769 WeakPolarHBondContact O-CG 3.29Å; L765-L769 PolarHBondContact O-N 2.81Å; E766-L769 PolarHBondContact O-N 3.41Å; L767-L769 VanDerWaalsContact C-N 3.31Å; L767-L769 PolarHBondContact O-N 3.15Å; L769-L772 PolarHBondContact O-N 3.01Å; L769-S773 WeakPolarHBondContact O-CB 3.45Å; L769-S773 PolarHBondContact O-N 3.12Å; L769-E835 HydrophobicContact CB-CB 3.94Å; L769-E835 HydrophobicContact CD1-CB 4.35Å; L769-L836 HydrophobicContact CD1-CB 4.15Å; L769-L836 HydrophobicContact CD2-CB 4.32Å; L769-L836 HydrophobicContact CD2-CD1 3.96Å; L769-L839 HydrophobicContact CD2-CD2 3.8Å |
| 770 | S | 87.4 | Confident | 84.1 | Confident | 17 Ų | 17 | 37 Ų | 37 | 12% | 0.119 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 179.9 | -160 | 0 | 0 | 0 | 0 | 112.1 | E766 L767 S773 R774 E835 | E766-S770 WeakPolarHBondContact O-CB 3.31Å; E766-S770 PolarHBondContact O-N 2.73Å; L767-S770 PolarHBondContact O-N 2.98Å; S770-S773 WeakPolarHBondContact O-CB 3.46Å; S770-S773 PolarHBondContact O-N 3.48Å; S770-R774 WeakPolarHBondContact O-CG 3.46Å; S770-R774 PolarHBondContact O-N 2.89Å; S770-R774 PolarHBondContact OG-NH2 3.36Å; S770-R774 VanDerWaalsContact OG-NH2 3.14Å; S770-E835 WeakPolarHBondContact CA-OE2 3.32Å; S770-E835 WeakPolarHBondContact CB-OE2 3.2Å; S770-E835 PolarHBondContact OG-OE2 3.1Å; S770-E835 VanDerWaalsContact OG-OE2 3.13Å |
| 771 | L | 89.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 177.5 | 178.5 | 56.8 | 0 | 0 | 0 | 111.7 | L724 F728 L753 L767 S773 R774 L775 | L724-L771 HydrophobicContact CB-CD2 3.65Å; L724-L771 HydrophobicContact CD1-CD2 4.46Å; F728-L771 HydrophobicContact CD2-CD1 3.83Å; F728-L771 HydrophobicContact CE2-CD1 3.68Å; L753-L771 HydrophobicContact CD1-CB 4.36Å; L753-L771 HydrophobicContact CD1-CD2 3.77Å; L753-L771 HydrophobicContact CD1-CG 3.76Å; L753-L771 HydrophobicContact CD2-CD2 3.94Å; L753-L771 HydrophobicContact CG-CD2 4.48Å; L767-L771 WeakPolarHBondContact O-CB 3.13Å; L767-L771 PolarHBondContact O-N 3.17Å; L771-S773 VanDerWaalsContact C-N 3.3Å; L771-S773 PolarHBondContact O-N 3.38Å; L771-R774 PolarHBondContact O-N 3.45Å; L771-L775 HydrophobicContact CG-CD1 4.39Å; L771-L775 WeakPolarHBondContact O-CG 3.42Å; L771-L775 PolarHBondContact O-N 3.14Å |
| 772 | L | 89.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 176.7 | -175.5 | 60.6 | 0 | 0 | 0 | 111.5 | A750 L753 L754 I757 P768 L769 L775 L776 V787 L839 | A750-L772 HydrophobicContact CB-CD1 3.92Å; L753-L772 HydrophobicContact CD1-CB 4.38Å; L754-L772 HydrophobicContact CD1-CD2 3.78Å; I757-L772 HydrophobicContact CD1-CD2 3.81Å; P768-L772 WeakPolarHBondContact O-CB 3.45Å; P768-L772 PolarHBondContact O-N 3.48Å; L769-L772 PolarHBondContact O-N 3.01Å; L772-L775 PolarHBondContact O-N 3.09Å; L772-L776 HydrophobicContact CG-CD1 4.42Å; L772-L776 WeakPolarHBondContact O-CG 3.41Å; L772-L776 PolarHBondContact O-N 2.94Å; L772-L776 VanDerWaalsContact O-N 3.1Å; L772-V787 HydrophobicContact CD1-CG2 4.35Å; L772-L839 HydrophobicContact CB-CD1 4.17Å; L772-L839 HydrophobicContact CD2-CD1 3.83Å; L772-L839 HydrophobicContact CD2-CD2 3.9Å; L772-L839 HydrophobicContact CG-CD1 3.69Å |
| 773 | S | 87.1 | Confident | 83 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.6 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | L769 S770 L771 L776 L777 Q842 | L769-S773 WeakPolarHBondContact O-CB 3.45Å; L769-S773 PolarHBondContact O-N 3.12Å; S770-S773 WeakPolarHBondContact O-CB 3.46Å; S770-S773 PolarHBondContact O-N 3.48Å; L771-S773 VanDerWaalsContact C-N 3.3Å; L771-S773 PolarHBondContact O-N 3.38Å; S773-L776 PolarHBondContact O-N 3.39Å; S773-L777 WeakPolarHBondContact O-CG 3.47Å; S773-L777 PolarHBondContact O-N 3.23Å; S773-L777 VanDerWaalsContact O-N 3.08Å; S773-Q842 VanDerWaalsContact CA-OE1 3.22Å; S773-Q842 PolarHBondContact O-OE1 3.28Å; S773-Q842 PolarHBondContact OG-NE2 3.22Å; S773-Q842 PolarHBondContact OG-OE1 2.96Å |
| 774 | R | 87.2 | Confident | 82.7 | Confident | 97 Ų | 97 | 41.6 Ų | 41.6 | 37% | 0.366 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.1 | -70.4 | 174.4 | -158.2 | 167.2 | 8.6 | 112.3 | F728 S770 L771 L776 L777 C778 | F728-R774 HydrophobicContact CD1-CB 4.29Å; F728-R774 HydrophobicContact CG-CB 4.47Å; S770-R774 WeakPolarHBondContact O-CG 3.46Å; S770-R774 PolarHBondContact O-N 2.89Å; S770-R774 PolarHBondContact OG-NH2 3.36Å; S770-R774 VanDerWaalsContact OG-NH2 3.14Å; L771-R774 PolarHBondContact O-N 3.45Å; R774-L776 VanDerWaalsContact C-N 3.33Å; R774-L776 PolarHBondContact O-N 3.19Å; R774-L777 PolarHBondContact O-N 3.02Å; R774-C778 PolarHBondContact O-N 2.97Å; R774-C778 PolarHBondContact O-SG 3.4Å; R774-C778 VanDerWaalsContact O-SG 3.42Å |
| 775 | L | 87.1 | Confident | 82 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.7 | -45.8 | 175.5 | -79.1 | 165.1 | 0 | 0 | 0 | 111.8 | F728 L741 Y744 V749 L753 L771 L772 L777 C778 D779 S783 | F728-L775 HydrophobicContact CE1-CD2 4.44Å; F728-L775 HydrophobicContact CE2-CD2 4.21Å; F728-L775 HydrophobicContact CE2-CG 4.4Å; F728-L775 HydrophobicContact CZ-CD2 3.52Å; F728-L775 HydrophobicContact CZ-CG 3.96Å; L741-L775 HydrophobicContact CD2-CD2 4.02Å; Y744-L775 HydrophobicContact CD2-CD1 4.48Å; Y744-L775 HydrophobicContact CD2-CD2 3.78Å; Y744-L775 HydrophobicContact CE2-CD2 4.49Å; V749-L775 HydrophobicContact CG1-CD1 4.23Å; L753-L775 HydrophobicContact CD1-CD1 3.79Å; L771-L775 HydrophobicContact CG-CD1 4.39Å; L771-L775 WeakPolarHBondContact O-CG 3.42Å; L771-L775 PolarHBondContact O-N 3.14Å; L772-L775 PolarHBondContact O-N 3.09Å; L775-L777 VanDerWaalsContact C-N 3.32Å; L775-L777 PolarHBondContact O-N 3.26Å; L775-C778 PolarHBondContact O-N 2.98Å; L775-D779 PolarHBondContact O-N 3.04Å; L775-S783 PolarHBondContact O-OG 3.5Å |
| 776 | L | 82.8 | Confident | 81.1 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66 | -31.8 | 177.5 | -71.8 | 164.6 | 0 | 0 | 0 | 113.1 | L772 S773 R774 P780 V784 L839 Q842 V843 | L772-L776 HydrophobicContact CG-CD1 4.42Å; L772-L776 WeakPolarHBondContact O-CG 3.41Å; L772-L776 PolarHBondContact O-N 2.94Å; L772-L776 VanDerWaalsContact O-N 3.1Å; S773-L776 PolarHBondContact O-N 3.39Å; R774-L776 VanDerWaalsContact C-N 3.33Å; R774-L776 PolarHBondContact O-N 3.19Å; L776-P780 WeakPolarHBondContact O-CA 3.31Å; L776-P780 WeakPolarHBondContact O-CB 3.23Å; L776-V784 HydrophobicContact CD2-CG2 3.57Å; L776-L839 HydrophobicContact CD1-CD1 3.37Å; L776-Q842 HydrophobicContact CB-CB 4.49Å; L776-V843 HydrophobicContact CD1-CG2 3.75Å |
| 777 | L | 83.3 | Confident | 80.2 | Confident | 112 Ų | 112 | 38.2 Ų | 38.2 | 59% | 0.586 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -71.6 | -34.5 | 174.9 | -72.7 | 173.5 | 0 | 0 | 0 | 112.9 | S773 R774 L775 Q842 | S773-L777 WeakPolarHBondContact O-CG 3.47Å; S773-L777 PolarHBondContact O-N 3.23Å; S773-L777 VanDerWaalsContact O-N 3.08Å; R774-L777 PolarHBondContact O-N 3.02Å; L775-L777 VanDerWaalsContact C-N 3.32Å; L775-L777 PolarHBondContact O-N 3.26Å; L777-Q842 HydrophobicContact CD2-CG 4.11Å; L777-Q842 VanDerWaalsContact CG-NE2 3.31Å |
| 778 | C | 83.3 | Confident | 78.7 | Confident | 64 Ų | 64 | 37.5 Ų | 37.5 | 43% | 0.432 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -81.7 | -40.6 | -176.6 | -70.7 | 0 | 0 | 0 | 0 | 113.5 | F728 L741 R774 L775 | F728-C778 HydrophobicContact CE1-CB 4.35Å; L741-C778 HydrophobicContact CD1-CB 4.11Å; L741-C778 HydrophobicContact CD2-CB 4.22Å; R774-C778 PolarHBondContact O-N 2.97Å; R774-C778 PolarHBondContact O-SG 3.4Å; R774-C778 VanDerWaalsContact O-SG 3.42Å; L775-C778 PolarHBondContact O-N 2.98Å |
| 779 | D | 77.8 | Confident | 77 | Confident | 28 Ų | 28 | 40.8 Ų | 40.8 | 15% | 0.15 | 23% | 0.233 | C | C | . | . | trans | -141.5 | 79.2 | 177.8 | -167.9 | -16.2 | 0 | 0 | 0 | 110.3 | L741 L775 E781 R782 S783 | L741-D779 HydrophobicContact CD1-CB 4.24Å; L775-D779 PolarHBondContact O-N 3.04Å; D779-E781 VanDerWaalsContact C-N 3.33Å; D779-E781 PolarHBondContact O-N 3.39Å; D779-R782 PolarHBondContact OD1-N 2.88Å; D779-R782 VanDerWaalsContact OD2-CD 3.26Å; D779-R782 WeakPolarHBondContact OD2-CD 3.19Å; D779-R782 IonicContact OD2-CZ 2.92Å; D779-R782 IonicContact OD2-NE 2.71Å; D779-R782 IonicContact OD2-NH1 3Å; D779-S783 WeakPolarHBondContact O-CB 3.44Å; D779-S783 PolarHBondContact O-N 3.05Å; D779-S783 PolarHBondContact O-OG 3.49Å | ||
| 780 | P | 73.9 | Confident | 75.2 | Confident | 49 Ų | 49 | 44 Ų | 44 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | -175.8 | 22.1 | -31.4 | 0 | 0 | 0 | 112.6 | L776 V784 | L776-P780 WeakPolarHBondContact O-CA 3.31Å; L776-P780 WeakPolarHBondContact O-CB 3.23Å; P780-V784 VanDerWaalsContact O-CB 3.3Å; P780-V784 WeakPolarHBondContact O-CB 3.44Å; P780-V784 WeakPolarHBondContact O-CG2 3.24Å; P780-V784 PolarHBondContact O-N 2.72Å |
| 781 | E | 72.2 | Confident | 73.5 | Confident | 136 Ų | 136 | 43.5 Ų | 43.5 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68.1 | -46.6 | -174.7 | -65.2 | -174.1 | 170.6 | 0 | 0 | 112.1 | D779 | D779-E781 VanDerWaalsContact C-N 3.33Å; D779-E781 PolarHBondContact O-N 3.39Å |
| 782 | R | 72.8 | Confident | 71.8 | Confident | 117 Ų | 117 | 48 Ų | 48 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -76.4 | -44.9 | -179.2 | -63.5 | -170.8 | -172.9 | 153.6 | -0.7 | 112.3 | D779 V784 S785 H786 | D779-R782 PolarHBondContact OD1-N 2.88Å; D779-R782 VanDerWaalsContact OD2-CD 3.26Å; D779-R782 WeakPolarHBondContact OD2-CD 3.19Å; D779-R782 IonicContact OD2-CZ 2.92Å; D779-R782 IonicContact OD2-NE 2.71Å; D779-R782 IonicContact OD2-NH1 3Å; R782-V784 VanDerWaalsContact C-N 3.33Å; R782-V784 PolarHBondContact O-N 3.48Å; R782-S785 PolarHBondContact O-N 3.11Å; R782-S785 PolarHBondContact O-OG 3.34Å; R782-H786 PolarHBondContact O-CD2 2.88Å; R782-H786 VanDerWaalsContact O-CD2 3.32Å |
| 783 | S | 72.3 | Confident | 70.7 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | -175.5 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | L775 D779 S785 H786 V787 | L775-S783 PolarHBondContact O-OG 3.5Å; D779-S783 WeakPolarHBondContact O-CB 3.44Å; D779-S783 PolarHBondContact O-N 3.05Å; D779-S783 PolarHBondContact O-OG 3.49Å; S783-S785 VanDerWaalsContact C-N 3.32Å; S783-S785 PolarHBondContact O-N 2.96Å; S783-H786 PolarHBondContact O-N 3.38Å; S783-V787 VanDerWaalsContact O-CG2 3.25Å; S783-V787 WeakPolarHBondContact O-CG2 3.45Å; S783-V787 PolarHBondContact O-N 3.3Å; S783-V787 VanDerWaalsContact O-N 3.16Å |
| 784 | V | 71 | Confident | 70.2 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.2 | -32.1 | 179.5 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | L776 P780 R782 V787 G788 C846 | L776-V784 HydrophobicContact CD2-CG2 3.57Å; P780-V784 VanDerWaalsContact O-CB 3.3Å; P780-V784 WeakPolarHBondContact O-CB 3.44Å; P780-V784 WeakPolarHBondContact O-CG2 3.24Å; P780-V784 PolarHBondContact O-N 2.72Å; R782-V784 VanDerWaalsContact C-N 3.33Å; R782-V784 PolarHBondContact O-N 3.48Å; V784-V787 PolarHBondContact O-N 3.09Å; V784-G788 PolarHBondContact O-N 2.76Å; V784-C846 HydrophobicContact CG2-CB 3.75Å |
| 785 | S | 68.7 | Low | 69.6 | Low | 63 Ų | 63 | 45 Ų | 45 | 44% | 0.441 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 179.2 | 75 | 0 | 0 | 0 | 0 | 112.8 | R782 S783 G788 G789 | R782-S785 PolarHBondContact O-N 3.11Å; R782-S785 PolarHBondContact O-OG 3.34Å; S783-S785 VanDerWaalsContact C-N 3.32Å; S783-S785 PolarHBondContact O-N 2.96Å; S785-G788 PolarHBondContact O-N 3.28Å; S785-G789 PolarHBondContact O-N 3.49Å; S785-G789 VanDerWaalsContact O-N 3.07Å |
| 786 | H | 67.1 | Low | 68.7 | Low | 41 Ų | 41 | 46.9 Ų | 46.9 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76.6 | -36.2 | 176.8 | -67.8 | -76 | 0 | 0 | 0 | 112.7 | D745 H748 S751 R782 S783 G788 G789 G790 | D745-H786 IonicContact OD1-CD2 3.49Å; D745-H786 PolarHBondContact OD1-CD2 3.27Å; D745-H786 IonicContact OD1-CE1 2.9Å; D745-H786 IonicContact OD1-NE2 3.51Å; D745-H786 PolarHBondContact OD1-NE2 2.9Å; D745-H786 IonicContact OD2-NE2 3.34Å; H748-H786 AromaticContact CE1-CE1 3.85Å; H748-H786 AromaticContact CE1-ND1 3.9Å; H748-H786 AromaticContact ND1-CE1 3.58Å; H748-H786 AromaticContact ND1-ND1 3.32Å; H748-H786 PolarHBondContact ND1-ND1 2.94Å; S751-H786 PolarHBondContact OG-O 3.19Å; R782-H786 PolarHBondContact O-CD2 2.88Å; R782-H786 VanDerWaalsContact O-CD2 3.32Å; S783-H786 PolarHBondContact O-N 3.38Å; H786-G788 PolarHBondContact O-N 3.36Å; H786-G789 PolarHBondContact O-N 2.91Å; H786-G790 PolarHBondContact O-N 3.38Å |
| 787 | V | 65.3 | Low | 67.5 | Low | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66 | -25.1 | 171.5 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | A750 L772 S783 V784 A791 F795 | A750-V787 HydrophobicContact CB-CG2 4.09Å; L772-V787 HydrophobicContact CD1-CG2 4.35Å; S783-V787 VanDerWaalsContact O-CG2 3.25Å; S783-V787 WeakPolarHBondContact O-CG2 3.45Å; S783-V787 PolarHBondContact O-N 3.3Å; S783-V787 VanDerWaalsContact O-N 3.16Å; V784-V787 PolarHBondContact O-N 3.09Å; V787-A791 WeakPolarHBondContact O-CB 3.46Å; V787-F795 HydrophobicContact CG1-CD2 4.24Å; V787-F795 HydrophobicContact CG1-CE2 3.28Å; V787-F795 HydrophobicContact CG1-CZ 3.76Å |
| 788 | G | 57.1 | Low | 65.9 | Low | 24 Ų | 24 | 49.8 Ų | 49.8 | 25% | 0.247 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -80 | -38 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V784 S785 H786 | V784-G788 PolarHBondContact O-N 2.76Å; S785-G788 PolarHBondContact O-N 3.28Å; H786-G788 PolarHBondContact O-N 3.36Å |
| 789 | G | 53.2 | Low | 64.1 | Low | 72 Ų | 72 | 55.5 Ų | 55.5 | 74% | 0.742 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -79.5 | -32 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S785 H786 | S785-G789 PolarHBondContact O-N 3.49Å; S785-G789 VanDerWaalsContact O-N 3.07Å; H786-G789 PolarHBondContact O-N 2.91Å |
| 790 | G | 50.2 | Low | 62 | Low | 67 Ų | 67 | 59 Ų | 59 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -105.7 | -3.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H786 | H786-G790 PolarHBondContact O-N 3.38Š|
| 791 | A | 51.8 | Low | 60 | Low | 7 Ų | 7 | 64.4 Ų | 64.4 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | trans | -143.1 | 24.9 | -151.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L754 V787 G793 F794 | L754-A791 HydrophobicContact CD2-CB 3.08Å; L754-A791 HydrophobicContact CG-CB 4.48Å; V787-A791 WeakPolarHBondContact O-CB 3.46Å; A791-G793 PolarHBondContact O-N 3.3Å; A791-F794 PolarHBondContact O-N 2.89Å | ||
| 792 | S | 54.8 | Low | 58.1 | Low | 95 Ų | 95 | 67.4 Ų | 67.4 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.6 | 177.6 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | S796 | S792-S796 WeakPolarHBondContact O-CB 3.39Å; S792-S796 PolarHBondContact O-OG 3.01Å |
| 793 | G | 65.3 | Low | 56 | Low | 38 Ų | 38 | 68.9 Ų | 68.9 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -38.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A791 F795 S796 | A791-G793 PolarHBondContact O-N 3.3Å; G793-F795 PolarHBondContact O-N 2.88Å; G793-S796 WeakPolarHBondContact CA-OG 3.47Å; G793-S796 PolarHBondContact O-N 3.26Å; G793-S796 PolarHBondContact O-OG 3.33Å |
| 794 | F | 78.1 | Confident | 53.9 | Low | 1 Ų | 1 | 77.5 Ų | 77.5 | 0% | 0.004 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -40 | -173 | 179.7 | -108.6 | 0 | 0 | 0 | 112.5 | L754 I757 Q758 A791 R814 A816 L819 L836 | L754-F794 HydrophobicContact CD1-CD1 3.73Å; L754-F794 HydrophobicContact CD1-CE1 4.01Å; L754-F794 HydrophobicContact CD1-CG 4.26Å; L754-F794 HydrophobicContact CD2-CB 3.9Å; L754-F794 HydrophobicContact CD2-CD1 4.29Å; L754-F794 HydrophobicContact CD2-CG 4.31Å; L754-F794 HydrophobicContact CG-CB 4.39Å; L754-F794 HydrophobicContact CG-CD1 4.28Å; L754-F794 HydrophobicContact CG-CG 4.35Å; I757-F794 HydrophobicContact CG2-CE2 4.03Å; I757-F794 HydrophobicContact CG2-CZ 3.89Å; Q758-F794 HydrophobicContact CG-CB 4.29Å; Q758-F794 HydrophobicContact CG-CD2 3.55Å; Q758-F794 HydrophobicContact CG-CE2 4.25Å; Q758-F794 HydrophobicContact CG-CG 4.23Å; A791-F794 PolarHBondContact O-N 2.89Å; F794-R814 WeakPolarHBondContact CD2-O 3.34Å; F794-A816 HydrophobicContact CD1-CB 4.24Å; F794-A816 HydrophobicContact CE1-CB 3.82Å; F794-A816 HydrophobicContact CE2-CB 4.3Å; F794-A816 HydrophobicContact CZ-CB 3.87Å; F794-A816 PolarHBondContact O-N 2.79Å; F794-L819 HydrophobicContact CE2-CD2 4.27Å; F794-L819 HydrophobicContact CZ-CD2 4.28Å; F794-L836 HydrophobicContact CE1-CD1 4.41Å; F794-L836 HydrophobicContact CZ-CD1 3.97Å |
| 795 | F | 74.8 | Confident | 51.9 | Low | 2 Ų | 2 | 83.6 Ų | 83.6 | 1% | 0.009 | 51% | 0.513 | C | S | . | . | S | Bend | trans | -90.2 | -5.4 | -178.8 | -59.9 | -78.2 | 0 | 0 | 0 | 113.3 | L754 V787 G793 L840 V843 P853 I855 S856 | L754-F795 HydrophobicContact CD1-CE2 4.09Å; L754-F795 HydrophobicContact CD1-CZ 4.03Å; L754-F795 HydrophobicContact CD2-CE2 3.83Å; V787-F795 HydrophobicContact CG1-CD2 4.24Å; V787-F795 HydrophobicContact CG1-CE2 3.28Å; V787-F795 HydrophobicContact CG1-CZ 3.76Å; G793-F795 PolarHBondContact O-N 2.88Å; F795-L840 HydrophobicContact CD1-CD2 3.86Å; F795-L840 HydrophobicContact CE1-CD2 3.77Å; F795-V843 HydrophobicContact CE1-CG2 4.35Å; F795-V843 HydrophobicContact CZ-CG2 4.36Å; F795-P853 HydrophobicContact CD2-CB 4.3Å; F795-P853 HydrophobicContact CD2-CG 4.49Å; F795-I855 HydrophobicContact CD1-CG1 4.33Å; F795-S856 PolarHBondContact O-N 3.33Å |
| 796 | S | 67.9 | Low | 49.9 | Very low | 47 Ų | 47 | 85.3 Ų | 85.3 | 33% | 0.329 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -97.2 | 155.9 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | S792 G793 | S792-S796 WeakPolarHBondContact O-CB 3.39Å; S792-S796 PolarHBondContact O-OG 3.01Å; G793-S796 WeakPolarHBondContact CA-OG 3.47Å; G793-S796 PolarHBondContact O-N 3.26Å; G793-S796 PolarHBondContact O-OG 3.33Å |
| 797 | S | 56.5 | Low | 48.1 | Very low | 72 Ų | 72 | 93 Ų | 93 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | trans | -77.3 | 124.3 | 172.1 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | Q799 S856 | S797-Q799 PolarHBondContact O-N 3.26Å; S797-S856 WeakPolarHBondContact CB-OG 3.29Å | ||
| 798 | T | 50.2 | Low | 46.4 | Very low | 105 Ų | 105 | 99 Ų | 99 | 64% | 0.644 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -69.7 | 68.7 | 172.6 | 38.1 | 0 | 0 | 0 | 0 | 112 | T815 | T798-T815 HydrophobicContact CG2-CG2 3.78Š|
| 799 | Q | 44.6 | Very low | 45.2 | Very low | 184 Ų | 184 | 104.4 Ų | 104.4 | 86% | 0.86 | 62% | 0.62 | S | S | * | * | trans | -142.2 | 51.9 | 166.9 | -75.5 | -164.1 | 1.1 | 0 | 0 | 111.9 | S797 | S797-Q799 PolarHBondContact O-N 3.26Š| ||
| 800 | S | 33.7 | Very low | 44.3 | Very low | 101 Ų | 101 | 106.8 Ų | 106.8 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -165.3 | 85.6 | 154.7 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 801 | N | 31.7 | Very low | 44 | Very low | 163 Ų | 163 | 107.8 Ų | 107.8 | 87% | 0.872 | 62% | 0.622 | S | S | * | * | trans | 177.2 | 31.3 | 150 | -91.1 | -9.4 | 0 | 0 | 0 | 113.4 | L803 | N801-L803 PolarHBondContact O-N 3.03Å; N801-L803 VanDerWaalsContact O-N 3.11Å | ||
| 802 | Q | 32.8 | Very low | 43.9 | Very low | 199 Ų | 199 | 114 Ų | 114 | 93% | 0.93 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 73.8 | 159.3 | -75 | -154.9 | 5.4 | 0 | 0 | 109.5 | ||
| 803 | L | 28.4 | Very low | 44.4 | Very low | 149 Ų | 149 | 113.8 Ų | 113.8 | 78% | 0.78 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.6 | 24.3 | 163.7 | -125 | 124.7 | 0 | 0 | 0 | 114.3 | N801 | N801-L803 PolarHBondContact O-N 3.03Å; N801-L803 VanDerWaalsContact O-N 3.11Å |
| 804 | F | 28.8 | Very low | 45.1 | Very low | 193 Ų | 193 | 114.5 Ų | 114.5 | 85% | 0.846 | 65% | 0.645 | S | S | * | * | trans | -148.1 | 122.9 | 158.1 | -73.5 | -69.6 | 0 | 0 | 0 | 110.9 | S806 | F804-S806 PolarHBondContact O-N 3.35Š| ||
| 805 | P | 29 | Very low | 45.4 | Very low | 131 Ų | 131 | 115 Ų | 115 | 85% | 0.851 | 65% | 0.648 | S | S | * | * | trans | -78.2 | 102.8 | 172.2 | 30.1 | -27.8 | 0 | 0 | 0 | 108.5 | ||||
| 806 | S | 27.4 | Very low | 45.9 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | trans | -80.2 | 131.3 | 165.3 | 78.4 | 0 | 0 | 0 | 0 | 109.1 | F804 N808 | F804-S806 PolarHBondContact O-N 3.35Å; S806-N808 VanDerWaalsContact C-N 3.33Å; S806-N808 PolarHBondContact O-N 2.99Å | ||
| 807 | K | 29.2 | Very low | 46.7 | Very low | 204 Ų | 204 | 112.8 Ų | 112.8 | 89% | 0.887 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -76.2 | 83.5 | 175.5 | -70.2 | 176.8 | 177.1 | 177.9 | 0 | 108.6 | ||
| 808 | N | 28.2 | Very low | 48.1 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 67% | 0.674 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 177.5 | 127.6 | 152.7 | -87.3 | -19 | 0 | 0 | 0 | 107.9 | S806 T810 | S806-N808 VanDerWaalsContact C-N 3.33Å; S806-N808 PolarHBondContact O-N 2.99Å; N808-T810 VanDerWaalsContact C-N 3.34Å; N808-T810 PolarHBondContact O-N 3.24Å |
| 809 | P | 31.9 | Very low | 50 | Low | 137 Ų | 137 | 106.3 Ų | 106.3 | 89% | 0.89 | 59% | 0.592 | S | S | * | * | trans | -76.2 | 87.3 | 178.5 | 31.3 | -29.8 | 0 | 0 | 0 | 108.8 | ||||
| 810 | T | 35.8 | Very low | 52.1 | Low | 123 Ų | 123 | 97.6 Ų | 97.6 | 76% | 0.755 | 55% | 0.551 | S | S | * | * | trans | -74.5 | 134.6 | 168.2 | 45.3 | 0 | 0 | 0 | 0 | 109.4 | N808 | N808-T810 VanDerWaalsContact C-N 3.34Å; N808-T810 PolarHBondContact O-N 3.24Å | ||
| 811 | A | 43.1 | Very low | 54.7 | Low | 87 Ų | 87 | 93.8 Ų | 93.8 | 72% | 0.719 | 52% | 0.524 | S | S | * | . | trans | -42.5 | 135.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | T813 | A811-T813 PolarHBondContact O-N 2.9Š| ||
| 812 | V | 50.7 | Low | 57.4 | Low | 138 Ų | 138 | 89 Ų | 89 | 84% | 0.836 | 50% | 0.499 | S | S | * | . | trans | -63.3 | 105.4 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 813 | T | 64.4 | Low | 60 | Low | 90 Ų | 90 | 79.5 Ų | 79.5 | 55% | 0.552 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 121.2 | 174 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | A811 | A811-T813 PolarHBondContact O-N 2.9Š|
| 814 | R | 79.5 | Confident | 63 | Low | 54 Ų | 54 | 72.7 Ų | 72.7 | 20% | 0.204 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 142.2 | 179 | -60.2 | -176.6 | -144.5 | 145.2 | 12.9 | 111.1 | T759 F760 F794 | T759-R814 PolarHBondContact O-NH2 3.42Å; F760-R814 PolarHBondContact O-NH1 3.19Å; F760-R814 PolarHBondContact O-NH2 3.34Å; F794-R814 WeakPolarHBondContact CD2-O 3.34Å |
| 815 | T | 85.6 | Confident | 65.7 | Low | 11 Ų | 11 | 71.8 Ų | 71.8 | 7% | 0.067 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 165.6 | 170.4 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | T798 S817 S818 L819 | T798-T815 HydrophobicContact CG2-CG2 3.78Å; T815-S817 PolarHBondContact O-N 2.67Å; T815-S818 PolarHBondContact N-OG 3.32Å; T815-S818 PolarHBondContact O-N 2.91Å; T815-S818 PolarHBondContact O-OG 3.04Å; T815-S818 VanDerWaalsContact O-OG 3.08Å; T815-S818 PolarHBondContact OG1-N 3.34Å; T815-S818 PolarHBondContact OG1-OG 2.98Å; T815-L819 VanDerWaalsContact O-CB 3.29Å; T815-L819 WeakPolarHBondContact O-CB 3.43Å; T815-L819 PolarHBondContact O-N 3.38Å |
| 816 | A | 84.8 | Confident | 68.4 | Low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.8 | -35.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F794 L820 L840 | F794-A816 HydrophobicContact CD1-CB 4.24Å; F794-A816 HydrophobicContact CE1-CB 3.82Å; F794-A816 HydrophobicContact CE2-CB 4.3Å; F794-A816 HydrophobicContact CZ-CB 3.87Å; F794-A816 PolarHBondContact O-N 2.79Å; A816-L820 VanDerWaalsContact O-CB 3.3Å; A816-L820 WeakPolarHBondContact O-CB 3.41Å; A816-L820 PolarHBondContact O-N 2.92Å; A816-L840 HydrophobicContact CB-CD1 4.46Å; A816-L840 HydrophobicContact CB-CD2 3.98Å |
| 817 | S | 84.5 | Confident | 71.1 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.7 | -48.7 | 177.9 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | T815 L819 L820 S821 S856 V857 E858 | T815-S817 PolarHBondContact O-N 2.67Å; S817-L819 VanDerWaalsContact C-N 3.31Å; S817-L819 PolarHBondContact O-N 2.95Å; S817-L820 PolarHBondContact O-N 3.08Å; S817-S821 PolarHBondContact O-N 3.43Å; S817-S821 VanDerWaalsContact O-N 3.08Å; S817-S821 PolarHBondContact O-OG 3.44Å; S817-S856 PolarHBondContact OG-O 3.05Å; S817-V857 VanDerWaalsContact OG-CA 3.23Å; S817-V857 WeakPolarHBondContact OG-CA 3.48Å; S817-E858 PolarHBondContact OG-N 2.9Å |
| 818 | S | 86.9 | Confident | 73.7 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 179.6 | 65.2 | 0 | 0 | 0 | 0 | 110.3 | T815 S821 D822 | T815-S818 PolarHBondContact N-OG 3.32Å; T815-S818 PolarHBondContact O-N 2.91Å; T815-S818 PolarHBondContact O-OG 3.04Å; T815-S818 VanDerWaalsContact O-OG 3.08Å; T815-S818 PolarHBondContact OG1-N 3.34Å; T815-S818 PolarHBondContact OG1-OG 2.98Å; S818-S821 PolarHBondContact O-N 3.35Å; S818-D822 PolarHBondContact O-N 3.39Å |
| 819 | L | 88.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 178.6 | -178.1 | 62 | 0 | 0 | 0 | 111.9 | I757 L765 F794 T815 S817 S821 D822 L823 L836 | I757-L819 HydrophobicContact CG2-CD2 3.93Å; L765-L819 HydrophobicContact CD1-CD1 3.49Å; L765-L819 VanDerWaalsContact CD1-CD1 3.49Å; L765-L819 HydrophobicContact CD1-CD2 3.97Å; L765-L819 HydrophobicContact CD1-CG 4.32Å; F794-L819 HydrophobicContact CE2-CD2 4.27Å; F794-L819 HydrophobicContact CZ-CD2 4.28Å; T815-L819 VanDerWaalsContact O-CB 3.29Å; T815-L819 WeakPolarHBondContact O-CB 3.43Å; T815-L819 PolarHBondContact O-N 3.38Å; S817-L819 VanDerWaalsContact C-N 3.31Å; S817-L819 PolarHBondContact O-N 2.95Å; L819-S821 VanDerWaalsContact C-N 3.28Å; L819-S821 PolarHBondContact O-N 3.1Å; L819-D822 PolarHBondContact O-N 2.93Å; L819-L823 HydrophobicContact CD1-CD1 4.12Å; L819-L823 HydrophobicContact CD1-CD2 4.42Å; L819-L823 HydrophobicContact CD1-CG 4.08Å; L819-L823 HydrophobicContact CD2-CD1 4.5Å; L819-L823 HydrophobicContact CG-CD1 3.87Å; L819-L823 HydrophobicContact CG-CG 4.27Å; L819-L823 VanDerWaalsContact O-CG 3.23Å; L819-L823 WeakPolarHBondContact O-CG 3.24Å; L819-L823 PolarHBondContact O-N 3.16Å; L819-L836 HydrophobicContact CB-CD2 4.2Å; L819-L836 HydrophobicContact CD2-CD1 4.3Å; L819-L836 HydrophobicContact CD2-CD2 3.93Å; L819-L836 HydrophobicContact CG-CD2 3.89Å |
| 820 | L | 89.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 176.7 | -179.3 | 61.4 | 0 | 0 | 0 | 111.3 | A816 S817 D822 L823 L824 A833 L836 L837 V857 A861 L862 | A816-L820 VanDerWaalsContact O-CB 3.3Å; A816-L820 WeakPolarHBondContact O-CB 3.41Å; A816-L820 PolarHBondContact O-N 2.92Å; S817-L820 PolarHBondContact O-N 3.08Å; L820-D822 VanDerWaalsContact C-N 3.32Å; L820-D822 PolarHBondContact O-N 3.35Å; L820-L823 PolarHBondContact O-N 2.78Å; L820-L824 HydrophobicContact CD1-CD1 4.14Å; L820-L824 HydrophobicContact CD1-CG 4.15Å; L820-L824 HydrophobicContact CG-CD1 3.99Å; L820-L824 HydrophobicContact CG-CG 4.42Å; L820-L824 WeakPolarHBondContact O-CG 3.45Å; L820-L824 PolarHBondContact O-N 3.38Å; L820-A833 HydrophobicContact CD1-CB 4.4Å; L820-L836 HydrophobicContact CB-CD2 3.9Å; L820-L836 HydrophobicContact CD1-CD2 4.41Å; L820-L837 HydrophobicContact CD1-CD1 4.21Å; L820-L837 HydrophobicContact CD1-CD2 4.12Å; L820-L837 HydrophobicContact CD1-CG 3.96Å; L820-L837 HydrophobicContact CD2-CD2 3.97Å; L820-V857 HydrophobicContact CD2-CG1 4.08Å; L820-A861 HydrophobicContact CD2-CB 4.21Å; L820-L862 HydrophobicContact CD2-CD2 4.4Å |
| 821 | S | 88.4 | Confident | 81.8 | Confident | 21 Ų | 21 | 59 Ų | 59 | 15% | 0.147 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 178.8 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | S817 S818 L819 R825 A861 | S817-S821 PolarHBondContact O-N 3.43Å; S817-S821 VanDerWaalsContact O-N 3.08Å; S817-S821 PolarHBondContact O-OG 3.44Å; S818-S821 PolarHBondContact O-N 3.35Å; L819-S821 VanDerWaalsContact C-N 3.28Å; L819-S821 PolarHBondContact O-N 3.1Å; S821-R825 WeakPolarHBondContact O-CG 3.41Å; S821-A861 WeakPolarHBondContact OG-CB 3.1Å |
| 822 | D | 87.3 | Confident | 83.9 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 177.4 | -70.5 | -24.5 | 0 | 0 | 0 | 111.9 | S818 L819 L820 L824 R825 | S818-D822 PolarHBondContact O-N 3.39Å; L819-D822 PolarHBondContact O-N 2.93Å; L820-D822 VanDerWaalsContact C-N 3.32Å; L820-D822 PolarHBondContact O-N 3.35Å; D822-L824 VanDerWaalsContact C-N 3.33Å; D822-L824 PolarHBondContact O-N 3.18Å; D822-R825 PolarHBondContact O-N 3.33Å; D822-R825 IonicContact OD1-NH1 3.19Å; D822-R825 PolarHBondContact OD1-NH1 3.07Å |
| 823 | L | 89.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.6 | -33.3 | 178.8 | -64.2 | 172.8 | 0 | 0 | 0 | 112.5 | P762 L819 L820 R825 L829 C832 A833 L836 | P762-L823 HydrophobicContact CB-CD2 3.91Å; L819-L823 HydrophobicContact CD1-CD1 4.12Å; L819-L823 HydrophobicContact CD1-CD2 4.42Å; L819-L823 HydrophobicContact CD1-CG 4.08Å; L819-L823 HydrophobicContact CD2-CD1 4.5Å; L819-L823 HydrophobicContact CG-CD1 3.87Å; L819-L823 HydrophobicContact CG-CG 4.27Å; L819-L823 VanDerWaalsContact O-CG 3.23Å; L819-L823 WeakPolarHBondContact O-CG 3.24Å; L819-L823 PolarHBondContact O-N 3.16Å; L820-L823 PolarHBondContact O-N 2.78Å; L823-R825 PolarHBondContact O-N 2.79Å; L823-L829 HydrophobicContact CD2-CB 3.91Å; L823-L829 HydrophobicContact CD2-CD1 4.06Å; L823-L829 HydrophobicContact CD2-CG 4.47Å; L823-C832 HydrophobicContact CD1-CB 4.13Å; L823-C832 HydrophobicContact CD2-CB 3.75Å; L823-A833 HydrophobicContact CB-CB 3.81Å; L823-A833 HydrophobicContact CD1-CB 4.47Å; L823-L836 HydrophobicContact CD1-CB 4.34Å; L823-L836 HydrophobicContact CD1-CD2 3.92Å |
| 824 | L | 89.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.3 | 177.6 | -68.4 | 172.8 | 0 | 0 | 0 | 113.9 | L820 D822 A833 Q864 A865 I873 | L820-L824 HydrophobicContact CD1-CD1 4.14Å; L820-L824 HydrophobicContact CD1-CG 4.15Å; L820-L824 HydrophobicContact CG-CD1 3.99Å; L820-L824 HydrophobicContact CG-CG 4.42Å; L820-L824 WeakPolarHBondContact O-CG 3.45Å; L820-L824 PolarHBondContact O-N 3.38Å; D822-L824 VanDerWaalsContact C-N 3.33Å; D822-L824 PolarHBondContact O-N 3.18Å; L824-A833 HydrophobicContact CD2-CB 4.24Å; L824-Q864 HydrophobicContact CD1-CB 4.32Å; L824-Q864 HydrophobicContact CD1-CG 4.16Å; L824-A865 HydrophobicContact CD1-CB 3.89Å; L824-A865 HydrophobicContact CD2-CB 4.37Å; L824-I873 HydrophobicContact CD2-CD1 3.79Å; L824-I873 HydrophobicContact CD2-CG1 4.44Å; L824-I873 HydrophobicContact CD2-CG2 3.78Å |
| 825 | R | 86.8 | Confident | 87.6 | Confident | 175 Ų | 175 | 44.3 Ų | 44.3 | 66% | 0.66 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -20.4 | -177.5 | -76.5 | 173.3 | 176.1 | 158.7 | -1.5 | 114.3 | S821 D822 L823 | S821-R825 WeakPolarHBondContact O-CG 3.41Å; D822-R825 PolarHBondContact O-N 3.33Å; D822-R825 IonicContact OD1-NH1 3.19Å; D822-R825 PolarHBondContact OD1-NH1 3.07Å; L823-R825 PolarHBondContact O-N 2.79Å |
| 826 | Q | 85.2 | Confident | 87.9 | Confident | 113 Ų | 113 | 43.8 Ų | 43.8 | 53% | 0.528 | 21% | 0.212 | S | C | . | . | trans | -122.1 | 124.3 | -173.4 | -64.5 | -175.6 | -12.2 | 0 | 0 | 110.3 | E828 L829 W830 | Q826-E828 PolarHBondContact O-N 3.23Å; Q826-L829 HydrophobicContact CB-CB 4.41Å; Q826-L829 HydrophobicContact CB-CD1 4.02Å; Q826-L829 HydrophobicContact CB-CG 4.12Å; Q826-L829 HydrophobicContact CG-CD1 4.49Å; Q826-L829 PolarHBondContact O-N 3.43Å; Q826-W830 VanDerWaalsContact O-CD1 3.3Å | ||
| 827 | D | 83.8 | Confident | 88.2 | Confident | 117 Ų | 117 | 43.8 Ų | 43.8 | 63% | 0.626 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -59.9 | -32 | -175 | -62.7 | 5.7 | 0 | 0 | 0 | 113 | L829 W830 | D827-L829 PolarHBondContact O-N 3.19Å; D827-W830 HydrophobicContact CB-CH2 4.27Å; D827-W830 HydrophobicContact CB-CZ2 3.92Å; D827-W830 VanDerWaalsContact CG-CZ2 3.42Å; D827-W830 WeakPolarHBondContact OD1-CZ2 3.46Å |
| 828 | E | 84.8 | Confident | 88.4 | Confident | 184 Ų | 184 | 44.8 Ų | 44.8 | 86% | 0.86 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -69.5 | -13.6 | 178.1 | -61.1 | -179.7 | 176.9 | 0 | 0 | 113.6 | Q826 | Q826-E828 PolarHBondContact O-N 3.23Š|
| 829 | L | 86.6 | Confident | 88.5 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -111.5 | 7.4 | -172.8 | -60 | -177.9 | 0 | 0 | 0 | 113.8 | P762 L823 Q826 D827 D831 C832 A833 | P762-L829 HydrophobicContact CB-CD1 3.54Å; P762-L829 HydrophobicContact CB-CD2 4.35Å; L823-L829 HydrophobicContact CD2-CB 3.91Å; L823-L829 HydrophobicContact CD2-CD1 4.06Å; L823-L829 HydrophobicContact CD2-CG 4.47Å; Q826-L829 HydrophobicContact CB-CB 4.41Å; Q826-L829 HydrophobicContact CB-CD1 4.02Å; Q826-L829 HydrophobicContact CB-CG 4.12Å; Q826-L829 HydrophobicContact CG-CD1 4.49Å; Q826-L829 PolarHBondContact O-N 3.43Å; D827-L829 PolarHBondContact O-N 3.19Å; L829-D831 VanDerWaalsContact C-N 3.31Å; L829-D831 PolarHBondContact O-N 3.45Å; L829-C832 WeakPolarHBondContact O-CB 3.43Å; L829-C832 PolarHBondContact O-N 3.41Å; L829-A833 PolarHBondContact O-N 3.11Å; L829-A833 VanDerWaalsContact O-N 3.09Å |
| 830 | W | 91.4 | Very high | 88.5 | Confident | 52 Ų | 52 | 42.9 Ų | 42.9 | 20% | 0.197 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -35.2 | -177.3 | -70.3 | -7.1 | 0 | 0 | 0 | 113.5 | Q826 D827 A833 V834 H868 Y870 I873 | Q826-W830 VanDerWaalsContact O-CD1 3.3Å; D827-W830 HydrophobicContact CB-CH2 4.27Å; D827-W830 HydrophobicContact CB-CZ2 3.92Å; D827-W830 VanDerWaalsContact CG-CZ2 3.42Å; D827-W830 WeakPolarHBondContact OD1-CZ2 3.46Å; W830-A833 VanDerWaalsContact O-CB 3.31Å; W830-A833 WeakPolarHBondContact O-CB 3.13Å; W830-A833 PolarHBondContact O-N 2.82Å; W830-A833 VanDerWaalsContact O-N 3.14Å; W830-V834 WeakPolarHBondContact O-CG2 3.21Å; W830-V834 PolarHBondContact O-N 3.28Å; W830-H868 AromaticContact CD2-CE1 3.77Å; W830-H868 AromaticContact CE2-CE1 3.35Å; W830-H868 AromaticContact CE2-NE2 3.72Å; W830-H868 AromaticContact CZ2-CE1 3.64Å; W830-H868 AromaticContact NE1-CE1 3.5Å; W830-H868 AromaticContact NE1-NE2 3.47Å; W830-H868 PolarHBondContact NE1-NE2 3.37Å; W830-Y870 HydrophobicContact CB-CD1 3.78Å; W830-Y870 HydrophobicContact CB-CE1 3.97Å; W830-Y870 HydrophobicContact CD2-CD1 4.27Å; W830-Y870 HydrophobicContact CD2-CG 4.37Å; W830-Y870 AromaticContact CE3-CD1 3.88Å; W830-Y870 HydrophobicContact CE3-CD1 3.88Å; W830-Y870 HydrophobicContact CE3-CD2 4.16Å; W830-Y870 HydrophobicContact CE3-CE1 4.49Å; W830-Y870 AromaticContact CE3-CG 3.67Å; W830-Y870 HydrophobicContact CE3-CG 3.67Å; W830-Y870 HydrophobicContact CG-CD1 4.29Å; W830-Y870 HydrophobicContact CZ3-CD2 4.45Å; W830-Y870 HydrophobicContact CZ3-CG 4.22Å; W830-I873 HydrophobicContact CB-CD1 3.82Å; W830-I873 HydrophobicContact CD2-CD1 4.49Å; W830-I873 HydrophobicContact CG-CD1 3.82Å |
| 831 | D | 87.1 | Confident | 88.3 | Confident | 75 Ų | 75 | 43 Ų | 43 | 40% | 0.401 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.7 | -37.1 | 177.6 | -65 | -35.2 | 0 | 0 | 0 | 111.3 | L829 A833 V834 E835 Y870 | L829-D831 VanDerWaalsContact C-N 3.31Å; L829-D831 PolarHBondContact O-N 3.45Å; D831-A833 VanDerWaalsContact C-N 3.3Å; D831-A833 PolarHBondContact O-N 3.21Å; D831-V834 WeakPolarHBondContact O-CB 3.4Å; D831-V834 PolarHBondContact O-N 2.69Å; D831-E835 PolarHBondContact O-N 3.16Å; D831-Y870 PolarHBondContact OD1-OH 2.88Å; D831-Y870 VanDerWaalsContact OD1-OH 3.08Å |
| 832 | C | 88.4 | Confident | 88.1 | Confident | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 168.8 | -69.9 | 0 | 0 | 0 | 0 | 112 | E766 L823 L829 V834 E835 L836 | E766-C832 PolarHBondContact N-SG 3.02Å; L823-C832 HydrophobicContact CD1-CB 4.13Å; L823-C832 HydrophobicContact CD2-CB 3.75Å; L829-C832 WeakPolarHBondContact O-CB 3.43Å; L829-C832 PolarHBondContact O-N 3.41Å; C832-V834 VanDerWaalsContact C-N 3.33Å; C832-E835 PolarHBondContact O-N 3.09Å; C832-L836 WeakPolarHBondContact O-CB 3.43Å; C832-L836 PolarHBondContact O-N 3.45Å |
| 833 | A | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L820 L823 L824 L829 W830 D831 L836 L837 I873 | L820-A833 HydrophobicContact CD1-CB 4.4Å; L823-A833 HydrophobicContact CB-CB 3.81Å; L823-A833 HydrophobicContact CD1-CB 4.47Å; L824-A833 HydrophobicContact CD2-CB 4.24Å; L829-A833 PolarHBondContact O-N 3.11Å; L829-A833 VanDerWaalsContact O-N 3.09Å; W830-A833 VanDerWaalsContact O-CB 3.31Å; W830-A833 WeakPolarHBondContact O-CB 3.13Å; W830-A833 PolarHBondContact O-N 2.82Å; W830-A833 VanDerWaalsContact O-N 3.14Å; D831-A833 VanDerWaalsContact C-N 3.3Å; D831-A833 PolarHBondContact O-N 3.21Å; A833-L836 PolarHBondContact O-N 3.5Å; A833-L837 WeakPolarHBondContact O-CB 3.32Å; A833-L837 VanDerWaalsContact O-CG 3.3Å; A833-L837 WeakPolarHBondContact O-CG 3.49Å; A833-L837 PolarHBondContact O-N 3.38Å; A833-I873 HydrophobicContact CB-CD1 4.25Å; A833-I873 HydrophobicContact CB-CG1 4.35Å |
| 834 | V | 90.9 | Very high | 87.3 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -47 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | W830 D831 C832 L836 L837 N838 Y870 Q872 I873 A876 | W830-V834 WeakPolarHBondContact O-CG2 3.21Å; W830-V834 PolarHBondContact O-N 3.28Å; D831-V834 WeakPolarHBondContact O-CB 3.4Å; D831-V834 PolarHBondContact O-N 2.69Å; C832-V834 VanDerWaalsContact C-N 3.33Å; V834-L836 PolarHBondContact O-N 3.33Å; V834-L837 PolarHBondContact O-N 3.03Å; V834-N838 WeakPolarHBondContact O-CB 3.48Å; V834-N838 VanDerWaalsContact O-CG 3.27Å; V834-N838 PolarHBondContact O-N 3.02Å; V834-N838 PolarHBondContact O-ND2 3.32Å; V834-Y870 HydrophobicContact CG2-CE1 4.35Å; V834-Q872 HydrophobicContact CG2-CB 3.85Å; V834-I873 HydrophobicContact CG2-CG1 3.73Å; V834-A876 HydrophobicContact CG1-CB 4.19Å |
| 835 | E | 90.3 | Very high | 86.7 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 178.2 | -72.4 | -60.2 | 103.8 | 0 | 0 | 112 | L769 S770 D831 C832 N838 L839 | L769-E835 HydrophobicContact CB-CB 3.94Å; L769-E835 HydrophobicContact CD1-CB 4.35Å; S770-E835 WeakPolarHBondContact CA-OE2 3.32Å; S770-E835 WeakPolarHBondContact CB-OE2 3.2Å; S770-E835 PolarHBondContact OG-OE2 3.1Å; S770-E835 VanDerWaalsContact OG-OE2 3.13Å; D831-E835 PolarHBondContact O-N 3.16Å; C832-E835 PolarHBondContact O-N 3.09Å; E835-N838 PolarHBondContact O-N 3.21Å; E835-N838 PolarHBondContact OE1-ND2 3.5Å; E835-L839 WeakPolarHBondContact O-CB 3.39Å; E835-L839 PolarHBondContact O-N 2.85Å |
| 836 | L | 91.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 173.6 | 178 | 62.1 | 0 | 0 | 0 | 111.8 | L769 F794 L819 L820 L823 C832 A833 V834 N838 L839 L840 | L769-L836 HydrophobicContact CD1-CB 4.15Å; L769-L836 HydrophobicContact CD2-CB 4.32Å; L769-L836 HydrophobicContact CD2-CD1 3.96Å; F794-L836 HydrophobicContact CE1-CD1 4.41Å; F794-L836 HydrophobicContact CZ-CD1 3.97Å; L819-L836 HydrophobicContact CB-CD2 4.2Å; L819-L836 HydrophobicContact CD2-CD1 4.3Å; L819-L836 HydrophobicContact CD2-CD2 3.93Å; L819-L836 HydrophobicContact CG-CD2 3.89Å; L820-L836 HydrophobicContact CB-CD2 3.9Å; L820-L836 HydrophobicContact CD1-CD2 4.41Å; L823-L836 HydrophobicContact CD1-CB 4.34Å; L823-L836 HydrophobicContact CD1-CD2 3.92Å; C832-L836 WeakPolarHBondContact O-CB 3.43Å; C832-L836 PolarHBondContact O-N 3.45Å; A833-L836 PolarHBondContact O-N 3.5Å; V834-L836 PolarHBondContact O-N 3.33Å; L836-N838 VanDerWaalsContact C-N 3.33Å; L836-N838 PolarHBondContact O-N 2.71Å; L836-L839 WeakPolarHBondContact O-CB 3.47Å; L836-L839 PolarHBondContact O-N 2.78Å; L836-L840 HydrophobicContact CD1-CD1 4.28Å; L836-L840 HydrophobicContact CD1-CG 4.33Å; L836-L840 HydrophobicContact CG-CD1 4.09Å; L836-L840 WeakPolarHBondContact O-CB 3.26Å; L836-L840 VanDerWaalsContact O-CG 3.25Å; L836-L840 WeakPolarHBondContact O-CG 3.18Å; L836-L840 PolarHBondContact O-N 2.92Å |
| 837 | L | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.9 | -37.2 | 177.1 | -73.6 | 165.9 | 0 | 0 | 0 | 112 | L820 A833 V834 S841 I873 A876 T877 F880 | L820-L837 HydrophobicContact CD1-CD1 4.21Å; L820-L837 HydrophobicContact CD1-CD2 4.12Å; L820-L837 HydrophobicContact CD1-CG 3.96Å; L820-L837 HydrophobicContact CD2-CD2 3.97Å; A833-L837 WeakPolarHBondContact O-CB 3.32Å; A833-L837 VanDerWaalsContact O-CG 3.3Å; A833-L837 WeakPolarHBondContact O-CG 3.49Å; A833-L837 PolarHBondContact O-N 3.38Å; V834-L837 PolarHBondContact O-N 3.03Å; L837-S841 VanDerWaalsContact O-CB 3.22Å; L837-S841 WeakPolarHBondContact O-CB 3.12Å; L837-S841 PolarHBondContact O-N 3.33Å; L837-I873 HydrophobicContact CD1-CG2 4.2Å; L837-A876 HydrophobicContact CB-CB 3.68Å; L837-A876 HydrophobicContact CD1-CB 4Å; L837-T877 VanDerWaalsContact CD1-OG1 3.3Å; L837-T877 WeakPolarHBondContact CD1-OG1 3.5Å; L837-F880 HydrophobicContact CD2-CD1 4.21Å |
| 838 | N | 89.8 | Confident | 83.3 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 174.3 | -74.5 | -31.3 | 0 | 0 | 0 | 111.8 | V834 E835 L836 S841 Q842 R879 | V834-N838 WeakPolarHBondContact O-CB 3.48Å; V834-N838 VanDerWaalsContact O-CG 3.27Å; V834-N838 PolarHBondContact O-N 3.02Å; V834-N838 PolarHBondContact O-ND2 3.32Å; E835-N838 PolarHBondContact O-N 3.21Å; E835-N838 PolarHBondContact OE1-ND2 3.5Å; L836-N838 VanDerWaalsContact C-N 3.33Å; L836-N838 PolarHBondContact O-N 2.71Å; N838-S841 WeakPolarHBondContact O-CB 3.24Å; N838-S841 PolarHBondContact O-N 3.25Å; N838-Q842 WeakPolarHBondContact O-CG 3.09Å; N838-Q842 PolarHBondContact O-N 3Å; N838-R879 PolarHBondContact OD1-NH1 3.38Å |
| 839 | L | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -53.6 | 174.3 | 175 | 69 | 0 | 0 | 0 | 110.7 | L769 L772 L776 E835 L836 S841 Q842 V843 | L769-L839 HydrophobicContact CD2-CD2 3.8Å; L772-L839 HydrophobicContact CB-CD1 4.17Å; L772-L839 HydrophobicContact CD2-CD1 3.83Å; L772-L839 HydrophobicContact CD2-CD2 3.9Å; L772-L839 HydrophobicContact CG-CD1 3.69Å; L776-L839 HydrophobicContact CD1-CD1 3.37Å; E835-L839 WeakPolarHBondContact O-CB 3.39Å; E835-L839 PolarHBondContact O-N 2.85Å; L836-L839 WeakPolarHBondContact O-CB 3.47Å; L836-L839 PolarHBondContact O-N 2.78Å; L839-S841 PolarHBondContact O-N 3.45Å; L839-Q842 PolarHBondContact O-N 3.47Å; L839-V843 WeakPolarHBondContact O-CG2 3.22Å; L839-V843 PolarHBondContact O-N 2.7Å |
| 840 | L | 87.1 | Confident | 80 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -38.9 | 178.2 | -68.8 | 169.5 | 0 | 0 | 0 | 111.7 | F795 A816 L836 Q842 V843 A844 I855 V857 F880 | F795-L840 HydrophobicContact CD1-CD2 3.86Å; F795-L840 HydrophobicContact CE1-CD2 3.77Å; A816-L840 HydrophobicContact CB-CD1 4.46Å; A816-L840 HydrophobicContact CB-CD2 3.98Å; L836-L840 HydrophobicContact CD1-CD1 4.28Å; L836-L840 HydrophobicContact CD1-CG 4.33Å; L836-L840 HydrophobicContact CG-CD1 4.09Å; L836-L840 WeakPolarHBondContact O-CB 3.26Å; L836-L840 VanDerWaalsContact O-CG 3.25Å; L836-L840 WeakPolarHBondContact O-CG 3.18Å; L836-L840 PolarHBondContact O-N 2.92Å; L840-Q842 VanDerWaalsContact C-N 3.34Å; L840-Q842 PolarHBondContact O-N 3.47Å; L840-V843 PolarHBondContact O-N 3.45Å; L840-A844 VanDerWaalsContact O-CB 3.29Å; L840-A844 WeakPolarHBondContact O-CB 3.33Å; L840-A844 PolarHBondContact O-N 3.47Å; L840-I855 HydrophobicContact CD2-CG2 4.01Å; L840-V857 HydrophobicContact CD1-CG2 4.12Å; L840-F880 VanDerWaalsContact C-CD2 3.47Å; L840-F880 HydrophobicContact CB-CD2 3.69Å; L840-F880 HydrophobicContact CB-CE2 3.56Å; L840-F880 HydrophobicContact CB-CG 4.24Å; L840-F880 HydrophobicContact CB-CZ 4.01Å |
| 841 | S | 86.4 | Confident | 77.9 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 175.4 | -166.2 | 0 | 0 | 0 | 0 | 113.4 | L837 N838 L839 R845 R879 N883 | L837-S841 VanDerWaalsContact O-CB 3.22Å; L837-S841 WeakPolarHBondContact O-CB 3.12Å; L837-S841 PolarHBondContact O-N 3.33Å; N838-S841 WeakPolarHBondContact O-CB 3.24Å; N838-S841 PolarHBondContact O-N 3.25Å; L839-S841 PolarHBondContact O-N 3.45Å; S841-R845 WeakPolarHBondContact O-CG 3.39Å; S841-R845 PolarHBondContact O-N 3.04Å; S841-R845 VanDerWaalsContact O-N 3.15Å; S841-R879 WeakPolarHBondContact OG-CG 3.45Å; S841-R879 PolarHBondContact OG-O 2.95Å; S841-N883 PolarHBondContact O-ND2 3.02Å; S841-N883 PolarHBondContact OG-ND2 3.15Å |
| 842 | Q | 83.8 | Confident | 76.5 | Confident | 23 Ų | 23 | 32.5 Ų | 32.5 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.3 | -43.4 | 177.9 | -71.9 | 165.5 | -0 | 0 | 0 | 111.9 | S773 L776 L777 N838 L839 L840 A844 R845 C846 | S773-Q842 VanDerWaalsContact CA-OE1 3.22Å; S773-Q842 PolarHBondContact O-OE1 3.28Å; S773-Q842 PolarHBondContact OG-NE2 3.22Å; S773-Q842 PolarHBondContact OG-OE1 2.96Å; L776-Q842 HydrophobicContact CB-CB 4.49Å; L777-Q842 HydrophobicContact CD2-CG 4.11Å; L777-Q842 VanDerWaalsContact CG-NE2 3.31Å; N838-Q842 WeakPolarHBondContact O-CG 3.09Å; N838-Q842 PolarHBondContact O-N 3Å; L839-Q842 PolarHBondContact O-N 3.47Å; L840-Q842 VanDerWaalsContact C-N 3.34Å; L840-Q842 PolarHBondContact O-N 3.47Å; Q842-A844 VanDerWaalsContact C-N 3.27Å; Q842-A844 PolarHBondContact O-N 3.35Å; Q842-R845 PolarHBondContact O-N 2.95Å; Q842-C846 PolarHBondContact O-N 3.12Å; Q842-C846 PolarHBondContact O-SG 3.21Å |
| 843 | V | 80.1 | Confident | 75.1 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | L776 F795 L839 L840 R845 C846 S847 P853 I855 | L776-V843 HydrophobicContact CD1-CG2 3.75Å; F795-V843 HydrophobicContact CE1-CG2 4.35Å; F795-V843 HydrophobicContact CZ-CG2 4.36Å; L839-V843 WeakPolarHBondContact O-CG2 3.22Å; L839-V843 PolarHBondContact O-N 2.7Å; L840-V843 PolarHBondContact O-N 3.45Å; V843-R845 PolarHBondContact O-N 3.28Å; V843-C846 PolarHBondContact O-N 3.34Å; V843-C846 VanDerWaalsContact O-N 3.15Å; V843-S847 PolarHBondContact O-N 2.99Å; V843-P853 HydrophobicContact CG1-CG 3.76Å; V843-I855 HydrophobicContact CB-CD1 3.78Å; V843-I855 HydrophobicContact CG1-CD1 3.72Å; V843-I855 HydrophobicContact CG1-CG1 4.06Å |
| 844 | A | 79.3 | Confident | 73.9 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L840 Q842 C846 S847 I855 F880 N883 L884 | L840-A844 VanDerWaalsContact O-CB 3.29Å; L840-A844 WeakPolarHBondContact O-CB 3.33Å; L840-A844 PolarHBondContact O-N 3.47Å; Q842-A844 VanDerWaalsContact C-N 3.27Å; Q842-A844 PolarHBondContact O-N 3.35Å; A844-C846 PolarHBondContact O-N 3.26Å; A844-S847 VanDerWaalsContact O-CB 3.26Å; A844-S847 WeakPolarHBondContact O-CB 3.48Å; A844-S847 PolarHBondContact O-N 3.43Å; A844-S847 VanDerWaalsContact O-N 3.12Å; A844-S847 PolarHBondContact O-OG 3.43Å; A844-I855 HydrophobicContact CB-CD1 3.82Å; A844-I855 VanDerWaalsContact N-CD1 3.34Å; A844-F880 HydrophobicContact CB-CD2 4.32Å; A844-F880 HydrophobicContact CB-CE2 4.17Å; A844-N883 HydrophobicContact CB-CB 4Å; A844-L884 HydrophobicContact CB-CD2 3.97Å |
| 845 | R | 77.2 | Confident | 73.1 | Confident | 115 Ų | 115 | 43.9 Ų | 43.9 | 43% | 0.434 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -31.9 | 176 | -74.9 | 176.9 | -175.7 | 180 | 4.9 | 113.4 | S841 Q842 V843 S847 N883 | S841-R845 WeakPolarHBondContact O-CG 3.39Å; S841-R845 PolarHBondContact O-N 3.04Å; S841-R845 VanDerWaalsContact O-N 3.15Å; Q842-R845 PolarHBondContact O-N 2.95Å; V843-R845 PolarHBondContact O-N 3.28Å; R845-S847 VanDerWaalsContact C-N 3.26Å; R845-N883 HydrophobicContact CG-CB 3.95Å; R845-N883 WeakPolarHBondContact CG-ND2 3.47Å; R845-N883 PolarHBondContact NE-ND2 3.21Å |
| 846 | C | 69.3 | Low | 72.2 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -2.2 | -179.8 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | V784 Q842 V843 A844 S848 | V784-C846 HydrophobicContact CG2-CB 3.75Å; Q842-C846 PolarHBondContact O-N 3.12Å; Q842-C846 PolarHBondContact O-SG 3.21Å; V843-C846 PolarHBondContact O-N 3.34Å; V843-C846 VanDerWaalsContact O-N 3.15Å; A844-C846 PolarHBondContact O-N 3.26Å; C846-S848 PolarHBondContact O-N 3.29Å; C846-S848 VanDerWaalsContact O-N 3.16Å |
| 847 | S | 61.1 | Low | 71.5 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 0.4 | -171.5 | 73.3 | 0 | 0 | 0 | 0 | 115.5 | V843 A844 R845 Q849 S852 R888 | V843-S847 PolarHBondContact O-N 2.99Å; A844-S847 VanDerWaalsContact O-CB 3.26Å; A844-S847 WeakPolarHBondContact O-CB 3.48Å; A844-S847 PolarHBondContact O-N 3.43Å; A844-S847 VanDerWaalsContact O-N 3.12Å; A844-S847 PolarHBondContact O-OG 3.43Å; R845-S847 VanDerWaalsContact C-N 3.26Å; S847-Q849 PolarHBondContact O-N 2.87Å; S847-S852 VanDerWaalsContact CA-OG 3.26Å; S847-S852 WeakPolarHBondContact CA-OG 3.49Å; S847-S852 PolarHBondContact O-OG 3.33Å; S847-R888 PolarHBondContact O-NH1 3.42Å; S847-R888 PolarHBondContact O-NH2 2.92Å |
| 848 | S | 54.2 | Low | 71.1 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 66% | 0.664 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -4.2 | 174.1 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | C846 | C846-S848 PolarHBondContact O-N 3.29Å; C846-S848 VanDerWaalsContact O-N 3.16Å |
| 849 | Q | 54.8 | Low | 70.5 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -96.1 | 142.4 | 178.1 | -63.8 | -174.8 | -6.5 | 0 | 0 | 111.9 | S847 A851 S852 | S847-Q849 PolarHBondContact O-N 2.87Å; Q849-A851 PolarHBondContact O-N 2.8Å; Q849-S852 PolarHBondContact O-N 2.96Å; Q849-S852 PolarHBondContact O-OG 3.12Å; Q849-S852 VanDerWaalsContact O-OG 3.05Å |
| 850 | P | 48.1 | Very low | 70.3 | Confident | 142 Ų | 142 | 53.1 Ų | 53.1 | 92% | 0.922 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.9 | -177.1 | 21.6 | -31 | 0 | 0 | 0 | 114.7 | ||
| 851 | A | 47.8 | Very low | 70.2 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q849 | Q849-A851 PolarHBondContact O-N 2.8Š|
| 852 | S | 56.7 | Low | 70.3 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -76.5 | 144.6 | -176.7 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | S847 Q849 | S847-S852 VanDerWaalsContact CA-OG 3.26Å; S847-S852 WeakPolarHBondContact CA-OG 3.49Å; S847-S852 PolarHBondContact O-OG 3.33Å; Q849-S852 PolarHBondContact O-N 2.96Å; Q849-S852 PolarHBondContact O-OG 3.12Å; Q849-S852 VanDerWaalsContact O-OG 3.05Å |
| 853 | P | 59.7 | Low | 70.5 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | trans | -64.3 | 136.3 | 177.9 | 26.2 | -32.7 | 0 | 0 | 0 | 111.5 | F795 V843 I855 | F795-P853 HydrophobicContact CD2-CB 4.3Å; F795-P853 HydrophobicContact CD2-CG 4.49Å; V843-P853 HydrophobicContact CG1-CG 3.76Å; P853-I855 PolarHBondContact O-N 3.31Å | ||
| 854 | R | 66.1 | Low | 70.9 | Confident | 215 Ų | 215 | 58.1 Ų | 58.1 | 81% | 0.811 | 32% | 0.323 | S | S | * | . | trans | -70.7 | 111.8 | 173.2 | -69.2 | -176.5 | -179.5 | 175 | 0.8 | 109 | ||||
| 855 | I | 72.6 | Confident | 71.5 | Confident | 30 Ų | 30 | 58 Ų | 58 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | trans | -81.8 | 119.5 | 177.3 | -53.4 | 172.8 | 0 | 0 | 0 | 109.4 | F795 L840 V843 A844 P853 V857 F880 | F795-I855 HydrophobicContact CD1-CG1 4.33Å; L840-I855 HydrophobicContact CD2-CG2 4.01Å; V843-I855 HydrophobicContact CB-CD1 3.78Å; V843-I855 HydrophobicContact CG1-CD1 3.72Å; V843-I855 HydrophobicContact CG1-CG1 4.06Å; A844-I855 HydrophobicContact CB-CD1 3.82Å; A844-I855 VanDerWaalsContact N-CD1 3.34Å; P853-I855 PolarHBondContact O-N 3.31Å; I855-V857 HydrophobicContact CG2-CG2 4.09Å; I855-F880 HydrophobicContact CD1-CE2 4.4Å; I855-F880 HydrophobicContact CG2-CE2 4.11Å; I855-F880 HydrophobicContact CG2-CZ 3.82Å | ||
| 856 | S | 72.5 | Confident | 72.2 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | trans | -119.5 | 111.9 | 173.1 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | F795 S797 S817 | F795-S856 PolarHBondContact O-N 3.33Å; S797-S856 WeakPolarHBondContact CB-OG 3.29Å; S817-S856 PolarHBondContact OG-O 3.05Å | ||
| 857 | V | 76.9 | Confident | 73.2 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 14% | 0.139 | 32% | 0.323 | C | S | . | . | trans | -115.7 | 130.5 | 170.7 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | S817 L820 L840 I855 A859 L862 F880 | S817-V857 VanDerWaalsContact OG-CA 3.23Å; S817-V857 WeakPolarHBondContact OG-CA 3.48Å; L820-V857 HydrophobicContact CD2-CG1 4.08Å; L840-V857 HydrophobicContact CD1-CG2 4.12Å; I855-V857 HydrophobicContact CG2-CG2 4.09Å; V857-A859 PolarHBondContact O-N 2.9Å; V857-L862 HydrophobicContact CB-CD1 4.25Å; V857-L862 HydrophobicContact CB-CD2 4.42Å; V857-L862 HydrophobicContact CB-CG 4.31Å; V857-L862 HydrophobicContact CG1-CD1 4.32Å; V857-L862 HydrophobicContact CG1-CD2 3.89Å; V857-L862 HydrophobicContact CG1-CG 3.83Å; V857-F880 HydrophobicContact CB-CE1 4.26Å; V857-F880 HydrophobicContact CG2-CE1 3.82Å; V857-F880 HydrophobicContact CG2-CZ 3.79Å | ||
| 858 | E | 80.6 | Confident | 74.7 | Confident | 113 Ų | 113 | 56 Ų | 56 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | trans | -58.6 | 131.3 | 176.3 | -72.7 | -177.9 | -173.9 | 0 | 0 | 110.9 | S817 A860 A861 L862 | S817-E858 PolarHBondContact OG-N 2.9Å; E858-A860 VanDerWaalsContact C-N 3.26Å; E858-A860 PolarHBondContact O-N 3.38Å; E858-A861 WeakPolarHBondContact O-CB 3.39Å; E858-A861 PolarHBondContact O-N 3.46Å; E858-A861 VanDerWaalsContact O-N 3.12Å; E858-L862 PolarHBondContact O-N 2.74Å | ||
| 859 | A | 79.1 | Confident | 76.4 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -29.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | V857 A861 L862 Q863 L895 I899 | V857-A859 PolarHBondContact O-N 2.9Å; A859-A861 VanDerWaalsContact C-N 3.32Å; A859-A861 PolarHBondContact O-N 2.82Å; A859-L862 PolarHBondContact O-N 3.1Å; A859-Q863 WeakPolarHBondContact O-CB 3.45Å; A859-Q863 VanDerWaalsContact O-CG 3.24Å; A859-Q863 WeakPolarHBondContact O-CG 3.34Å; A859-Q863 PolarHBondContact O-N 3.07Å; A859-L895 HydrophobicContact CB-CB 3.58Å; A859-L895 HydrophobicContact CB-CD2 3.35Å; A859-L895 HydrophobicContact CB-CG 3.95Å; A859-I899 HydrophobicContact CB-CD1 3.78Å |
| 860 | A | 82.9 | Confident | 78.2 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 51% | 0.512 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E858 Q863 Q864 | E858-A860 VanDerWaalsContact C-N 3.26Å; E858-A860 PolarHBondContact O-N 3.38Å; A860-Q863 PolarHBondContact O-N 2.99Å; A860-Q864 WeakPolarHBondContact O-CB 3.45Å; A860-Q864 PolarHBondContact O-N 2.93Å |
| 861 | A | 85.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L820 S821 E858 A859 Q864 A865 | L820-A861 HydrophobicContact CD2-CB 4.21Å; S821-A861 WeakPolarHBondContact OG-CB 3.1Å; E858-A861 WeakPolarHBondContact O-CB 3.39Å; E858-A861 PolarHBondContact O-N 3.46Å; E858-A861 VanDerWaalsContact O-N 3.12Å; A859-A861 VanDerWaalsContact C-N 3.32Å; A859-A861 PolarHBondContact O-N 2.82Å; A861-Q864 PolarHBondContact O-N 3.28Å; A861-A865 WeakPolarHBondContact O-CB 3.31Å; A861-A865 PolarHBondContact O-N 2.95Å |
| 862 | L | 87.6 | Confident | 82.6 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 175.8 | -66.4 | 177.1 | 0 | 0 | 0 | 112.7 | L820 V857 E858 A859 A865 L866 T877 F880 V881 I899 | L820-L862 HydrophobicContact CD2-CD2 4.4Å; V857-L862 HydrophobicContact CB-CD1 4.25Å; V857-L862 HydrophobicContact CB-CD2 4.42Å; V857-L862 HydrophobicContact CB-CG 4.31Å; V857-L862 HydrophobicContact CG1-CD1 4.32Å; V857-L862 HydrophobicContact CG1-CD2 3.89Å; V857-L862 HydrophobicContact CG1-CG 3.83Å; E858-L862 PolarHBondContact O-N 2.74Å; A859-L862 PolarHBondContact O-N 3.1Å; L862-A865 PolarHBondContact O-N 3.34Å; L862-L866 WeakPolarHBondContact O-CG 3.23Å; L862-L866 PolarHBondContact O-N 3.49Å; L862-T877 HydrophobicContact CD2-CG2 4.23Å; L862-F880 HydrophobicContact CD1-CE1 4.45Å; L862-F880 HydrophobicContact CD2-CD1 3.84Å; L862-F880 HydrophobicContact CD2-CE1 3.79Å; L862-V881 HydrophobicContact CD1-CG2 4.39Å; L862-V881 HydrophobicContact CD2-CG2 4.31Å; L862-I899 HydrophobicContact CB-CD1 4.34Å; L862-I899 HydrophobicContact CD1-CD1 3.99Å |
| 863 | Q | 88.3 | Confident | 84.4 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176.3 | -71.2 | 178.1 | -14.2 | 0 | 0 | 111.5 | A859 A860 A865 L866 T867 I899 Q902 | A859-Q863 WeakPolarHBondContact O-CB 3.45Å; A859-Q863 VanDerWaalsContact O-CG 3.24Å; A859-Q863 WeakPolarHBondContact O-CG 3.34Å; A859-Q863 PolarHBondContact O-N 3.07Å; A860-Q863 PolarHBondContact O-N 2.99Å; Q863-A865 VanDerWaalsContact C-N 3.31Å; Q863-A865 PolarHBondContact O-N 3.44Å; Q863-L866 PolarHBondContact O-N 2.69Å; Q863-T867 PolarHBondContact O-N 3.28Å; Q863-T867 PolarHBondContact O-OG1 3.48Å; Q863-I899 HydrophobicContact CG-CG1 4.3Å; Q863-Q902 VanDerWaalsContact CG-NE2 3.32Å; Q863-Q902 PolarHBondContact O-OE1 3.35Å |
| 864 | Q | 89.6 | Confident | 86 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 172.5 | -175 | -178.4 | -7.6 | 0 | 0 | 111.4 | L824 A860 A861 T867 H868 | L824-Q864 HydrophobicContact CD1-CB 4.32Å; L824-Q864 HydrophobicContact CD1-CG 4.16Å; A860-Q864 WeakPolarHBondContact O-CB 3.45Å; A860-Q864 PolarHBondContact O-N 2.93Å; A861-Q864 PolarHBondContact O-N 3.28Å; Q864-T867 PolarHBondContact O-OG1 2.96Å; Q864-H868 WeakPolarHBondContact O-CB 3.3Å; Q864-H868 PolarHBondContact O-N 3.27Å; Q864-H868 VanDerWaalsContact O-N 3.13Å |
| 865 | A | 91.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70 | -38.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L824 A861 L862 Q863 T867 H868 I873 T877 | L824-A865 HydrophobicContact CD1-CB 3.89Å; L824-A865 HydrophobicContact CD2-CB 4.37Å; A861-A865 WeakPolarHBondContact O-CB 3.31Å; A861-A865 PolarHBondContact O-N 2.95Å; L862-A865 PolarHBondContact O-N 3.34Å; Q863-A865 VanDerWaalsContact C-N 3.31Å; Q863-A865 PolarHBondContact O-N 3.44Å; A865-T867 VanDerWaalsContact C-N 3.29Å; A865-T867 PolarHBondContact O-N 2.87Å; A865-H868 VanDerWaalsContact O-CB 3.29Å; A865-H868 WeakPolarHBondContact O-CB 3.3Å; A865-H868 PolarHBondContact O-N 3.3Å; A865-I873 HydrophobicContact CB-CG2 3.97Å; A865-T877 HydrophobicContact CB-CG2 3.92Å; A865-T877 VanDerWaalsContact CB-OG1 3.23Å; A865-T877 WeakPolarHBondContact CB-OG1 3.49Å |
| 866 | L | 91.4 | Very high | 88.3 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -29.1 | 177 | -77.3 | 172 | 0 | 0 | 0 | 113.2 | L862 Q863 R874 T877 I899 Q902 M903 | L862-L866 WeakPolarHBondContact O-CG 3.23Å; L862-L866 PolarHBondContact O-N 3.49Å; Q863-L866 PolarHBondContact O-N 2.69Å; L866-R874 WeakPolarHBondContact O-CD 3.35Å; L866-R874 WeakPolarHBondContact O-CG 3.5Å; L866-T877 HydrophobicContact CD2-CG2 3.71Å; L866-T877 HydrophobicContact CG-CG2 3.67Å; L866-I899 HydrophobicContact CD1-CG2 4.06Å; L866-Q902 HydrophobicContact CB-CB 4.37Å; L866-Q902 HydrophobicContact CD1-CB 3.89Å; L866-M903 HydrophobicContact CD1-CG 4.05Å; L866-M903 HydrophobicContact CD2-CG 4.14Å |
| 867 | T | 90.7 | Very high | 89.3 | Confident | 98 Ų | 98 | 38.4 Ų | 38.4 | 60% | 0.601 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 6.5 | -179.6 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | Q863 Q864 A865 | Q863-T867 PolarHBondContact O-N 3.28Å; Q863-T867 PolarHBondContact O-OG1 3.48Å; Q864-T867 PolarHBondContact O-OG1 2.96Å; A865-T867 VanDerWaalsContact C-N 3.29Å; A865-T867 PolarHBondContact O-N 2.87Å |
| 868 | H | 93.9 | Very high | 90 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 6% | 0.06 | 20% | 0.204 | C | C | . | . | trans | -65.9 | 142.7 | -174.7 | -166.3 | -90.7 | 0 | 0 | 0 | 112.2 | W830 Q864 A865 Y870 I873 R874 | W830-H868 AromaticContact CD2-CE1 3.77Å; W830-H868 AromaticContact CE2-CE1 3.35Å; W830-H868 AromaticContact CE2-NE2 3.72Å; W830-H868 AromaticContact CZ2-CE1 3.64Å; W830-H868 AromaticContact NE1-CE1 3.5Å; W830-H868 AromaticContact NE1-NE2 3.47Å; W830-H868 PolarHBondContact NE1-NE2 3.37Å; Q864-H868 WeakPolarHBondContact O-CB 3.3Å; Q864-H868 PolarHBondContact O-N 3.27Å; Q864-H868 VanDerWaalsContact O-N 3.13Å; A865-H868 VanDerWaalsContact O-CB 3.29Å; A865-H868 WeakPolarHBondContact O-CB 3.3Å; A865-H868 PolarHBondContact O-N 3.3Å; H868-Y870 VanDerWaalsContact C-N 3.31Å; H868-Y870 WeakPolarHBondContact ND1-CB 3.23Å; H868-Y870 PolarHBondContact ND1-N 3.04Å; H868-Y870 PolarHBondContact O-N 2.96Å; H868-I873 HydrophobicContact CB-CB 4.44Å; H868-I873 HydrophobicContact CB-CG2 3.92Å; H868-I873 WeakPolarHBondContact ND1-CD1 3.48Å; H868-R874 VanDerWaalsContact O-CD 3.24Å; H868-R874 WeakPolarHBondContact O-CD 3.24Å; H868-R874 WeakPolarHBondContact O-CG 3.34Å; H868-R874 PolarHBondContact O-NH1 3.28Å | ||
| 869 | P | 89.8 | Confident | 90.5 | Very high | 104 Ų | 104 | 35.7 Ų | 35.7 | 68% | 0.675 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -62.6 | -33.2 | -179.5 | 23.5 | -35.1 | 0 | 0 | 0 | 113.9 | D871 R874 | P869-D871 PolarHBondContact O-N 3.42Å; P869-R874 VanDerWaalsContact C-NH1 3.26Å; P869-R874 PolarHBondContact O-NH1 3.27Å |
| 870 | Y | 92.6 | Very high | 91.1 | Very high | 51 Ų | 51 | 35 Ų | 35 | 20% | 0.2 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -75.3 | 122.6 | 177.3 | -169 | -139.8 | 0 | 0 | 0 | 112 | W830 D831 V834 H868 Q872 I873 R874 | W830-Y870 HydrophobicContact CB-CD1 3.78Å; W830-Y870 HydrophobicContact CB-CE1 3.97Å; W830-Y870 HydrophobicContact CD2-CD1 4.27Å; W830-Y870 HydrophobicContact CD2-CG 4.37Å; W830-Y870 AromaticContact CE3-CD1 3.88Å; W830-Y870 HydrophobicContact CE3-CD1 3.88Å; W830-Y870 HydrophobicContact CE3-CD2 4.16Å; W830-Y870 HydrophobicContact CE3-CE1 4.49Å; W830-Y870 AromaticContact CE3-CG 3.67Å; W830-Y870 HydrophobicContact CE3-CG 3.67Å; W830-Y870 HydrophobicContact CG-CD1 4.29Å; W830-Y870 HydrophobicContact CZ3-CD2 4.45Å; W830-Y870 HydrophobicContact CZ3-CG 4.22Å; D831-Y870 PolarHBondContact OD1-OH 2.88Å; D831-Y870 VanDerWaalsContact OD1-OH 3.08Å; V834-Y870 HydrophobicContact CG2-CE1 4.35Å; H868-Y870 VanDerWaalsContact C-N 3.31Å; H868-Y870 WeakPolarHBondContact ND1-CB 3.23Å; H868-Y870 PolarHBondContact ND1-N 3.04Å; H868-Y870 PolarHBondContact O-N 2.96Å; Y870-Q872 HydrophobicContact CD1-CB 4.14Å; Y870-Q872 HydrophobicContact CE1-CB 3.72Å; Y870-Q872 HydrophobicContact CE1-CG 4.12Å; Y870-Q872 HydrophobicContact CE2-CB 4.45Å; Y870-Q872 HydrophobicContact CE2-CG 4.09Å; Y870-Q872 PolarHBondContact OH-NE2 3.12Å; Y870-Q872 VanDerWaalsContact OH-NE2 3.1Å; Y870-I873 HydrophobicContact CD1-CB 4.5Å; Y870-I873 HydrophobicContact CD1-CD1 3.85Å; Y870-I873 HydrophobicContact CD1-CG1 3.84Å; Y870-I873 PolarHBondContact O-N 3.28Å; Y870-R874 PolarHBondContact O-N 3.32Å; Y870-R874 PolarHBondContact O-NH1 2.89Å |
| 871 | D | 93.3 | Very high | 91.3 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 32% | 0.316 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69.2 | -35.3 | -173 | 63 | -23.9 | 0 | 0 | 0 | 113.3 | P869 I873 R874 V875 C911 V914 | P869-D871 PolarHBondContact O-N 3.42Å; D871-I873 VanDerWaalsContact C-N 3.31Å; D871-I873 PolarHBondContact O-N 3.48Å; D871-R874 PolarHBondContact O-N 2.94Å; D871-V875 VanDerWaalsContact O-CG2 3.31Å; D871-V875 WeakPolarHBondContact O-CG2 3.43Å; D871-V875 PolarHBondContact O-N 3.34Å; D871-C911 HydrophobicContact CB-CB 4.14Å; D871-C911 PolarHBondContact OD2-SG 3.34Å; D871-C911 VanDerWaalsContact OD2-SG 3.38Å; D871-V914 HydrophobicContact CB-CG2 4.14Å |
| 872 | Q | 93.7 | Very high | 91.3 | Very high | 92 Ų | 92 | 32.2 Ų | 32.2 | 43% | 0.43 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.5 | -36.7 | 177.9 | -58.9 | -166.3 | 24.5 | 0 | 0 | 112.9 | V834 Y870 V875 A876 | V834-Q872 HydrophobicContact CG2-CB 3.85Å; Y870-Q872 HydrophobicContact CD1-CB 4.14Å; Y870-Q872 HydrophobicContact CE1-CB 3.72Å; Y870-Q872 HydrophobicContact CE1-CG 4.12Å; Y870-Q872 HydrophobicContact CE2-CB 4.45Å; Y870-Q872 HydrophobicContact CE2-CG 4.09Å; Y870-Q872 PolarHBondContact OH-NE2 3.12Å; Y870-Q872 VanDerWaalsContact OH-NE2 3.1Å; Q872-V875 PolarHBondContact O-N 2.86Å; Q872-A876 WeakPolarHBondContact O-CB 3.38Å; Q872-A876 PolarHBondContact O-N 3.1Å |
| 873 | I | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.9 | -51.6 | 173 | -74.2 | 167.1 | 0 | 0 | 0 | 109.2 | L824 W830 A833 V834 L837 A865 H868 Y870 D871 V875 A876 T877 | L824-I873 HydrophobicContact CD2-CD1 3.79Å; L824-I873 HydrophobicContact CD2-CG1 4.44Å; L824-I873 HydrophobicContact CD2-CG2 3.78Å; W830-I873 HydrophobicContact CB-CD1 3.82Å; W830-I873 HydrophobicContact CD2-CD1 4.49Å; W830-I873 HydrophobicContact CG-CD1 3.82Å; A833-I873 HydrophobicContact CB-CD1 4.25Å; A833-I873 HydrophobicContact CB-CG1 4.35Å; V834-I873 HydrophobicContact CG2-CG1 3.73Å; L837-I873 HydrophobicContact CD1-CG2 4.2Å; A865-I873 HydrophobicContact CB-CG2 3.97Å; H868-I873 HydrophobicContact CB-CB 4.44Å; H868-I873 HydrophobicContact CB-CG2 3.92Å; H868-I873 WeakPolarHBondContact ND1-CD1 3.48Å; Y870-I873 HydrophobicContact CD1-CB 4.5Å; Y870-I873 HydrophobicContact CD1-CD1 3.85Å; Y870-I873 HydrophobicContact CD1-CG1 3.84Å; Y870-I873 PolarHBondContact O-N 3.28Å; D871-I873 VanDerWaalsContact C-N 3.31Å; D871-I873 PolarHBondContact O-N 3.48Å; I873-V875 VanDerWaalsContact C-N 3.31Å; I873-V875 PolarHBondContact O-N 3.27Å; I873-A876 PolarHBondContact O-N 3.24Å; I873-A876 VanDerWaalsContact O-N 3.1Å; I873-T877 PolarHBondContact O-N 3.19Å; I873-T877 PolarHBondContact O-OG1 3.39Å |
| 874 | R | 94.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.9 | -43.7 | 178.7 | -60.5 | -162.6 | -59.3 | -77.6 | 5.3 | 112.1 | L866 H868 P869 Y870 D871 T877 C878 D909 V914 | L866-R874 WeakPolarHBondContact O-CD 3.35Å; L866-R874 WeakPolarHBondContact O-CG 3.5Å; H868-R874 VanDerWaalsContact O-CD 3.24Å; H868-R874 WeakPolarHBondContact O-CD 3.24Å; H868-R874 WeakPolarHBondContact O-CG 3.34Å; H868-R874 PolarHBondContact O-NH1 3.28Å; P869-R874 VanDerWaalsContact C-NH1 3.26Å; P869-R874 PolarHBondContact O-NH1 3.27Å; Y870-R874 PolarHBondContact O-N 3.32Å; Y870-R874 PolarHBondContact O-NH1 2.89Å; D871-R874 PolarHBondContact O-N 2.94Å; R874-T877 PolarHBondContact O-N 3.32Å; R874-C878 PolarHBondContact O-N 3.12Å; R874-C878 PolarHBondContact O-SG 3.35Å; R874-C878 VanDerWaalsContact O-SG 3.33Å; R874-D909 IonicContact CZ-OD2 4Å; R874-D909 IonicContact NE-OD2 3.47Å; R874-D909 PolarHBondContact NE-OD2 3.21Å; R874-D909 IonicContact NH2-OD1 2.83Å; R874-D909 PolarHBondContact NH2-OD1 3.41Å; R874-D909 IonicContact NH2-OD2 2.62Å; R874-D909 PolarHBondContact NH2-OD2 3.45Å; R874-V914 HydrophobicContact CB-CG1 4.17Å; R874-V914 HydrophobicContact CB-CG2 4.03Å |
| 875 | V | 94.2 | Very high | 90 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 7% | 0.073 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | D871 Q872 I873 R879 Q913 V914 T917 | D871-V875 VanDerWaalsContact O-CG2 3.31Å; D871-V875 WeakPolarHBondContact O-CG2 3.43Å; D871-V875 PolarHBondContact O-N 3.34Å; Q872-V875 PolarHBondContact O-N 2.86Å; I873-V875 VanDerWaalsContact C-N 3.31Å; I873-V875 PolarHBondContact O-N 3.27Å; V875-R879 WeakPolarHBondContact O-CB 3.25Å; V875-R879 PolarHBondContact O-N 2.9Å; V875-Q913 HydrophobicContact CG1-CG 4.02Å; V875-Q913 HydrophobicContact CG2-CB 4.06Å; V875-Q913 HydrophobicContact CG2-CG 3.7Å; V875-V914 HydrophobicContact CG2-CB 4.32Å; V875-V914 HydrophobicContact CG2-CG2 3.62Å; V875-T917 HydrophobicContact CG1-CG2 3.89Å |
| 876 | A | 92.5 | Very high | 89 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V834 L837 Q872 I873 R879 F880 | V834-A876 HydrophobicContact CG1-CB 4.19Å; L837-A876 HydrophobicContact CB-CB 3.68Å; L837-A876 HydrophobicContact CD1-CB 4Å; Q872-A876 WeakPolarHBondContact O-CB 3.38Å; Q872-A876 PolarHBondContact O-N 3.1Å; I873-A876 PolarHBondContact O-N 3.24Å; I873-A876 VanDerWaalsContact O-N 3.1Å; A876-R879 WeakPolarHBondContact O-CB 3.49Å; A876-R879 PolarHBondContact O-N 3.31Å; A876-F880 WeakPolarHBondContact O-CB 3.42Å; A876-F880 PolarHBondContact O-N 2.83Å |
| 877 | T | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -48.9 | 175.6 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | L837 L862 A865 L866 I873 R874 R879 F880 V881 | L837-T877 VanDerWaalsContact CD1-OG1 3.3Å; L837-T877 WeakPolarHBondContact CD1-OG1 3.5Å; L862-T877 HydrophobicContact CD2-CG2 4.23Å; A865-T877 HydrophobicContact CB-CG2 3.92Å; A865-T877 VanDerWaalsContact CB-OG1 3.23Å; A865-T877 WeakPolarHBondContact CB-OG1 3.49Å; L866-T877 HydrophobicContact CD2-CG2 3.71Å; L866-T877 HydrophobicContact CG-CG2 3.67Å; I873-T877 PolarHBondContact O-N 3.19Å; I873-T877 PolarHBondContact O-OG1 3.39Å; R874-T877 PolarHBondContact O-N 3.32Å; T877-R879 PolarHBondContact O-N 2.92Å; T877-F880 PolarHBondContact O-N 3.03Å; T877-F880 VanDerWaalsContact O-N 3.12Å; T877-V881 HydrophobicContact CG2-CG2 4.07Å; T877-V881 WeakPolarHBondContact O-CB 3.4Å; T877-V881 WeakPolarHBondContact O-CG2 3.36Å; T877-V881 PolarHBondContact O-N 3.29Å |
| 878 | C | 92.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57 | -40.3 | 174.9 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | R874 G882 A921 | R874-C878 PolarHBondContact O-N 3.12Å; R874-C878 PolarHBondContact O-SG 3.35Å; R874-C878 VanDerWaalsContact O-SG 3.33Å; C878-G882 PolarHBondContact O-N 3.25Å; C878-A921 VanDerWaalsContact O-CB 3.3Å; C878-A921 WeakPolarHBondContact O-CB 3.35Å |
| 879 | R | 91.8 | Very high | 84.7 | Confident | 79 Ų | 79 | 37.4 Ų | 37.4 | 30% | 0.298 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.5 | -39.4 | 176.9 | -171.1 | -169.6 | -66 | 145.5 | 1.8 | 112.7 | N838 S841 V875 A876 T877 N883 | N838-R879 PolarHBondContact OD1-NH1 3.38Å; S841-R879 WeakPolarHBondContact OG-CG 3.45Å; S841-R879 PolarHBondContact OG-O 2.95Å; V875-R879 WeakPolarHBondContact O-CB 3.25Å; V875-R879 PolarHBondContact O-N 2.9Å; A876-R879 WeakPolarHBondContact O-CB 3.49Å; A876-R879 PolarHBondContact O-N 3.31Å; T877-R879 PolarHBondContact O-N 2.92Å; R879-N883 VanDerWaalsContact O-CG 3.3Å; R879-N883 PolarHBondContact O-ND2 3.46Å |
| 880 | F | 89.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.9 | -57.8 | 176.1 | 170.1 | -127.3 | 0 | 0 | 0 | 110.8 | L837 L840 A844 I855 V857 L862 A876 T877 G882 N883 L884 | L837-F880 HydrophobicContact CD2-CD1 4.21Å; L840-F880 VanDerWaalsContact C-CD2 3.47Å; L840-F880 HydrophobicContact CB-CD2 3.69Å; L840-F880 HydrophobicContact CB-CE2 3.56Å; L840-F880 HydrophobicContact CB-CG 4.24Å; L840-F880 HydrophobicContact CB-CZ 4.01Å; A844-F880 HydrophobicContact CB-CD2 4.32Å; A844-F880 HydrophobicContact CB-CE2 4.17Å; I855-F880 HydrophobicContact CD1-CE2 4.4Å; I855-F880 HydrophobicContact CG2-CE2 4.11Å; I855-F880 HydrophobicContact CG2-CZ 3.82Å; V857-F880 HydrophobicContact CB-CE1 4.26Å; V857-F880 HydrophobicContact CG2-CE1 3.82Å; V857-F880 HydrophobicContact CG2-CZ 3.79Å; L862-F880 HydrophobicContact CD1-CE1 4.45Å; L862-F880 HydrophobicContact CD2-CD1 3.84Å; L862-F880 HydrophobicContact CD2-CE1 3.79Å; A876-F880 WeakPolarHBondContact O-CB 3.42Å; A876-F880 PolarHBondContact O-N 2.83Å; T877-F880 PolarHBondContact O-N 3.03Å; T877-F880 VanDerWaalsContact O-N 3.12Å; F880-G882 VanDerWaalsContact C-N 3.27Å; F880-G882 PolarHBondContact O-N 2.89Å; F880-N883 PolarHBondContact O-N 3.03Å; F880-L884 HydrophobicContact CD1-CD1 4.44Å; F880-L884 HydrophobicContact CD2-CG 4.41Å; F880-L884 HydrophobicContact CE1-CD1 3.86Å; F880-L884 HydrophobicContact CE2-CD1 4.11Å; F880-L884 HydrophobicContact CE2-CD2 3.71Å; F880-L884 HydrophobicContact CE2-CG 3.97Å; F880-L884 HydrophobicContact CZ-CD1 3.69Å; F880-L884 HydrophobicContact CZ-CD2 3.92Å; F880-L884 HydrophobicContact CZ-CG 4.07Å; F880-L884 PolarHBondContact O-N 3.47Å |
| 881 | V | 87.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -38.9 | -177.5 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | L862 T877 N883 L884 I899 M903 W925 | L862-V881 HydrophobicContact CD1-CG2 4.39Å; L862-V881 HydrophobicContact CD2-CG2 4.31Å; T877-V881 HydrophobicContact CG2-CG2 4.07Å; T877-V881 WeakPolarHBondContact O-CB 3.4Å; T877-V881 WeakPolarHBondContact O-CG2 3.36Å; T877-V881 PolarHBondContact O-N 3.29Å; V881-N883 PolarHBondContact O-N 3.07Å; V881-N883 VanDerWaalsContact O-N 3.17Å; V881-L884 WeakPolarHBondContact O-CB 3.46Å; V881-L884 PolarHBondContact O-N 2.99Å; V881-I899 HydrophobicContact CG1-CG2 3.65Å; V881-I899 HydrophobicContact CG2-CG2 4.42Å; V881-M903 HydrophobicContact CB-SD 3.84Å; V881-M903 HydrophobicContact CG1-CE 3.69Å; V881-M903 HydrophobicContact CG1-CG 4.45Å; V881-M903 HydrophobicContact CG1-SD 3.34Å; V881-M903 WeakPolarHBondContact CG1-SD 3.3Å; V881-W925 HydrophobicContact CG1-CH2 3.82Å; V881-W925 HydrophobicContact CG1-CZ2 3.27Å; V881-W925 PolarHBondContact O-NE1 3.27Å |
| 882 | G | 84.9 | Confident | 77.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | C878 F880 N924 | C878-G882 PolarHBondContact O-N 3.25Å; F880-G882 VanDerWaalsContact C-N 3.27Å; F880-G882 PolarHBondContact O-N 2.89Å; G882-N924 PolarHBondContact O-ND2 2.88Å |
| 883 | N | 84.8 | Confident | 75.8 | Confident | 23 Ų | 23 | 45.4 Ų | 45.4 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -4.5 | 172.9 | -58.7 | -33 | 0 | 0 | 0 | 112.6 | S841 A844 R845 R879 F880 V881 | S841-N883 PolarHBondContact O-ND2 3.02Å; S841-N883 PolarHBondContact OG-ND2 3.15Å; A844-N883 HydrophobicContact CB-CB 4Å; R845-N883 HydrophobicContact CG-CB 3.95Å; R845-N883 WeakPolarHBondContact CG-ND2 3.47Å; R845-N883 PolarHBondContact NE-ND2 3.21Å; R879-N883 VanDerWaalsContact O-CG 3.3Å; R879-N883 PolarHBondContact O-ND2 3.46Å; F880-N883 PolarHBondContact O-N 3.03Å; V881-N883 PolarHBondContact O-N 3.07Å; V881-N883 VanDerWaalsContact O-N 3.17Å |
| 884 | L | 79.8 | Confident | 73.8 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 20% | 0.199 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -80.8 | 140.3 | 172.6 | -66.8 | 177.8 | 0 | 0 | 0 | 110 | A844 F880 V881 P886 W925 | A844-L884 HydrophobicContact CB-CD2 3.97Å; F880-L884 HydrophobicContact CD1-CD1 4.44Å; F880-L884 HydrophobicContact CD2-CG 4.41Å; F880-L884 HydrophobicContact CE1-CD1 3.86Å; F880-L884 HydrophobicContact CE2-CD1 4.11Å; F880-L884 HydrophobicContact CE2-CD2 3.71Å; F880-L884 HydrophobicContact CE2-CG 3.97Å; F880-L884 HydrophobicContact CZ-CD1 3.69Å; F880-L884 HydrophobicContact CZ-CD2 3.92Å; F880-L884 HydrophobicContact CZ-CG 4.07Å; F880-L884 PolarHBondContact O-N 3.47Å; V881-L884 WeakPolarHBondContact O-CB 3.46Å; V881-L884 PolarHBondContact O-N 2.99Å; L884-P886 WeakPolarHBondContact O-CD 3.35Å; L884-W925 PolarHBondContact O-NE1 3.3Å |
| 885 | E | 74.3 | Confident | 71.9 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 29% | 0.29 | 26% | 0.257 | S | S | . | . | trans | -83.6 | 114.2 | 169.2 | -65.6 | -169.7 | 149.7 | 0 | 0 | 108.7 | F887 R888 Y928 | E885-F887 PolarHBondContact O-N 3.35Å; E885-R888 HydrophobicContact CB-CB 3.86Å; E885-R888 PolarHBondContact O-N 2.96Å; E885-R888 WeakPolarHBondContact OE2-CD 3.22Å; E885-R888 IonicContact OE2-CZ 3.78Å; E885-R888 IonicContact OE2-NE 3.25Å; E885-R888 PolarHBondContact OE2-NE 3.06Å; E885-R888 IonicContact OE2-NH1 3.97Å; E885-R888 PolarHBondContact OE2-NH1 3.16Å; E885-Y928 HydrophobicContact CB-CE1 4.49Å; E885-Y928 HydrophobicContact CG-CE1 3.8Å; E885-Y928 HydrophobicContact CG-CE2 4.48Å; E885-Y928 WeakPolarHBondContact CG-OH 3.38Å; E885-Y928 PolarHBondContact OE1-OH 3.03Å | ||
| 886 | P | 71.1 | Confident | 70.8 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -58.4 | -40 | -174.8 | 20.9 | -30.7 | 0 | 0 | 0 | 110.7 | L884 R888 Q896 W925 Y928 W979 | L884-P886 WeakPolarHBondContact O-CD 3.35Å; P886-R888 VanDerWaalsContact C-N 3.32Å; P886-R888 PolarHBondContact O-N 3.03Å; P886-Q896 PolarHBondContact O-NE2 3.3Å; P886-Q896 PolarHBondContact O-OE1 3.41Å; P886-W925 HydrophobicContact CB-CD2 4.37Å; P886-W925 HydrophobicContact CB-CE3 4.32Å; P886-W925 HydrophobicContact CB-CH2 4.38Å; P886-W925 HydrophobicContact CB-CZ2 4.39Å; P886-W925 HydrophobicContact CB-CZ3 4.34Å; P886-W925 HydrophobicContact CG-CD2 4.37Å; P886-Y928 HydrophobicContact CG-CG 4.37Å; P886-W979 HydrophobicContact CB-CH2 4.2Å |
| 887 | F | 71.8 | Confident | 70 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -85.1 | 3.9 | -172.1 | -47.5 | -53 | 0 | 0 | 0 | 115.9 | E885 Y928 V929 K932 F971 W979 | E885-F887 PolarHBondContact O-N 3.35Å; F887-Y928 WeakPolarHBondContact CE2-O 3.29Å; F887-V929 HydrophobicContact CZ-CG2 4.01Å; F887-K932 HydrophobicContact CB-CD 4.08Å; F887-K932 HydrophobicContact CD1-CD 3.79Å; F887-K932 HydrophobicContact CD2-CB 4.15Å; F887-K932 HydrophobicContact CD2-CD 3.38Å; F887-K932 HydrophobicContact CD2-CG 4.37Å; F887-K932 HydrophobicContact CE1-CD 4.11Å; F887-K932 HydrophobicContact CE2-CB 3.9Å; F887-K932 HydrophobicContact CE2-CD 3.67Å; F887-K932 HydrophobicContact CE2-CG 4.42Å; F887-K932 HydrophobicContact CG-CD 3.42Å; F887-K932 VanDerWaalsContact CG-CD 3.42Å; F887-K932 HydrophobicContact CZ-CD 4.04Å; F887-F971 HydrophobicContact CD1-CE1 4.15Å; F887-F971 AromaticContact CD1-CZ 3.84Å; F887-F971 HydrophobicContact CD1-CZ 3.84Å; F887-F971 AromaticContact CE1-CE1 3.81Å; F887-F971 HydrophobicContact CE1-CE1 3.81Å; F887-F971 HydrophobicContact CE1-CE2 4.34Å; F887-F971 AromaticContact CE1-CZ 3.27Å; F887-F971 HydrophobicContact CE1-CZ 3.27Å; F887-F971 HydrophobicContact CE2-CZ 4.48Å; F887-F971 HydrophobicContact CZ-CE2 4.36Å; F887-F971 AromaticContact CZ-CZ 3.63Å; F887-F971 HydrophobicContact CZ-CZ 3.63Å; F887-W979 HydrophobicContact CE1-CZ2 4.16Å |
| 888 | R | 60.3 | Low | 69.4 | Low | 126 Ų | 126 | 56.3 Ų | 56.3 | 48% | 0.475 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -93.3 | -11.6 | -171.7 | -148.5 | -170.7 | -165.7 | 164.1 | -21.2 | 114.5 | S847 E885 P886 | S847-R888 PolarHBondContact O-NH1 3.42Å; S847-R888 PolarHBondContact O-NH2 2.92Å; E885-R888 HydrophobicContact CB-CB 3.86Å; E885-R888 PolarHBondContact O-N 2.96Å; E885-R888 WeakPolarHBondContact OE2-CD 3.22Å; E885-R888 IonicContact OE2-CZ 3.78Å; E885-R888 IonicContact OE2-NE 3.25Å; E885-R888 PolarHBondContact OE2-NE 3.06Å; E885-R888 IonicContact OE2-NH1 3.97Å; E885-R888 PolarHBondContact OE2-NH1 3.16Å; P886-R888 VanDerWaalsContact C-N 3.32Å; P886-R888 PolarHBondContact O-N 3.03Å |
| 889 | A | 52.6 | Low | 69.1 | Low | 55 Ų | 55 | 56.8 Ų | 56.8 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -96.7 | 126.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R891 | A889-R891 PolarHBondContact O-N 2.99Š|
| 890 | N | 45.3 | Very low | 68.8 | Low | 139 Ų | 139 | 53 Ų | 53 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 125.3 | 179.2 | -104.4 | -18.1 | 0 | 0 | 0 | 112.2 | ||
| 891 | R | 41.5 | Very low | 68.8 | Low | 231 Ų | 231 | 58.8 Ų | 58.8 | 87% | 0.872 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 18 | 155.3 | -60.9 | -169.2 | -172.2 | -171 | 3.3 | 121.2 | A889 | A889-R891 PolarHBondContact O-N 2.99Š|
| 892 | A | 46.3 | Very low | 68.8 | Low | 46 Ų | 46 | 60.6 Ų | 60.6 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | trans | -129.5 | 48.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | N894 L895 | A892-N894 PolarHBondContact O-N 3.45Å; A892-N894 VanDerWaalsContact O-N 3.09Å; A892-L895 HydrophobicContact CB-CD1 3.93Å; A892-L895 PolarHBondContact O-N 3.26Å; A892-L895 VanDerWaalsContact O-N 3.14Å | ||
| 893 | H | 50.2 | Low | 69 | Low | 58 Ų | 58 | 60.5 Ų | 60.5 | 27% | 0.269 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -50.8 | -33.3 | -179.8 | -68.1 | -78.4 | 0 | 0 | 0 | 113.9 | E975 | H893-E975 WeakPolarHBondContact CB-OE1 3.44Å; H893-E975 IonicContact CG-OE1 3.59Å; H893-E975 IonicContact ND1-OE1 3.21Å; H893-E975 PolarHBondContact ND1-OE1 2.65Å |
| 894 | N | 50.6 | Low | 69.3 | Low | 105 Ų | 105 | 59.6 Ų | 59.6 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.9 | -34.5 | -178.8 | -74.3 | -22.8 | 0 | 0 | 0 | 114.6 | A892 Q896 R978 | A892-N894 PolarHBondContact O-N 3.45Å; A892-N894 VanDerWaalsContact O-N 3.09Å; N894-Q896 VanDerWaalsContact C-N 3.3Å; N894-Q896 PolarHBondContact O-N 3.24Å; N894-R978 PolarHBondContact O-NH2 2.91Å; N894-R978 PolarHBondContact OD1-NH1 3.19Å |
| 895 | L | 54.8 | Low | 69.9 | Low | 72 Ų | 72 | 62.3 Ų | 62.3 | 38% | 0.377 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -78.8 | -16.7 | -174.1 | -77.4 | 129.9 | 0 | 0 | 0 | 112.5 | A859 A892 I899 | A859-L895 HydrophobicContact CB-CB 3.58Å; A859-L895 HydrophobicContact CB-CD2 3.35Å; A859-L895 HydrophobicContact CB-CG 3.95Å; A892-L895 HydrophobicContact CB-CD1 3.93Å; A892-L895 PolarHBondContact O-N 3.26Å; A892-L895 VanDerWaalsContact O-N 3.14Å; L895-I899 WeakPolarHBondContact O-CD1 3.4Å; L895-I899 VanDerWaalsContact O-CG1 3.27Å; L895-I899 WeakPolarHBondContact O-CG1 3.25Å; L895-I899 PolarHBondContact O-N 3.15Å |
| 896 | Q | 70.9 | Confident | 70.7 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 11% | 0.107 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.4 | -40.9 | -179 | -64.2 | 179.1 | -11.6 | 0 | 0 | 112.4 | P886 N894 D898 I899 F900 W925 W979 | P886-Q896 PolarHBondContact O-NE2 3.3Å; P886-Q896 PolarHBondContact O-OE1 3.41Å; N894-Q896 VanDerWaalsContact C-N 3.3Å; N894-Q896 PolarHBondContact O-N 3.24Å; Q896-D898 VanDerWaalsContact C-N 3.31Å; Q896-D898 PolarHBondContact O-N 3.15Å; Q896-I899 PolarHBondContact O-N 3.26Å; Q896-F900 PolarHBondContact O-N 3.35Å; Q896-W925 WeakPolarHBondContact O-CZ3 3.4Å; Q896-W979 HydrophobicContact CB-CH2 4.16Å; Q896-W979 HydrophobicContact CB-CZ2 3.81Å |
| 897 | A | 75.1 | Confident | 71.7 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F900 R901 | A897-F900 WeakPolarHBondContact O-CB 3.48Å; A897-F900 PolarHBondContact O-N 3.42Å; A897-R901 PolarHBondContact O-N 3.16Å |
| 898 | D | 81.4 | Confident | 72.7 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.6 | -35.5 | 177.6 | -61.3 | -28.7 | 0 | 0 | 0 | 112.1 | Q896 R901 Q902 R978 | Q896-D898 VanDerWaalsContact C-N 3.31Å; Q896-D898 PolarHBondContact O-N 3.15Å; D898-R901 WeakPolarHBondContact O-CB 3.46Å; D898-R901 PolarHBondContact O-N 3.45Å; D898-Q902 WeakPolarHBondContact O-CG 3.25Å; D898-Q902 PolarHBondContact O-N 3.4Å; D898-Q902 VanDerWaalsContact O-N 3.13Å; D898-R978 IonicContact OD1-NH2 3.01Å |
| 899 | I | 85.4 | Confident | 74.2 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | 170.5 | -69.8 | 166.7 | 0 | 0 | 0 | 110.4 | A859 L862 Q863 L866 V881 L895 Q896 R901 Q902 M903 W925 | A859-I899 HydrophobicContact CB-CD1 3.78Å; L862-I899 HydrophobicContact CB-CD1 4.34Å; L862-I899 HydrophobicContact CD1-CD1 3.99Å; Q863-I899 HydrophobicContact CG-CG1 4.3Å; L866-I899 HydrophobicContact CD1-CG2 4.06Å; V881-I899 HydrophobicContact CG1-CG2 3.65Å; V881-I899 HydrophobicContact CG2-CG2 4.42Å; L895-I899 WeakPolarHBondContact O-CD1 3.4Å; L895-I899 VanDerWaalsContact O-CG1 3.27Å; L895-I899 WeakPolarHBondContact O-CG1 3.25Å; L895-I899 PolarHBondContact O-N 3.15Å; Q896-I899 PolarHBondContact O-N 3.26Å; I899-R901 VanDerWaalsContact C-N 3.33Å; I899-R901 PolarHBondContact O-N 3.25Å; I899-Q902 PolarHBondContact O-N 3.37Å; I899-M903 WeakPolarHBondContact O-CG 3.34Å; I899-M903 PolarHBondContact O-N 3.37Å; I899-W925 HydrophobicContact CB-CH2 4.43Å; I899-W925 HydrophobicContact CG2-CH2 3.97Å; I899-W925 HydrophobicContact CG2-CZ3 4.49Å |
| 900 | F | 87.3 | Confident | 76 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.4 | -171.8 | -130.5 | 0 | 0 | 0 | 111.6 | Q896 A897 Q902 M903 I904 V922 W925 L926 W979 E982 | Q896-F900 PolarHBondContact O-N 3.35Å; A897-F900 WeakPolarHBondContact O-CB 3.48Å; A897-F900 PolarHBondContact O-N 3.42Å; F900-Q902 PolarHBondContact O-N 3.44Å; F900-M903 HydrophobicContact CD2-CE 3.82Å; F900-M903 WeakPolarHBondContact O-CB 3.09Å; F900-M903 PolarHBondContact O-N 2.67Å; F900-I904 HydrophobicContact CD1-CD1 3.98Å; F900-I904 HydrophobicContact CE1-CD1 3.76Å; F900-I904 HydrophobicContact CE2-CD1 4.41Å; F900-I904 HydrophobicContact CG-CD1 4.37Å; F900-I904 HydrophobicContact CZ-CD1 3.97Å; F900-I904 HydrophobicContact CZ-CG1 4.46Å; F900-I904 WeakPolarHBondContact O-CG1 3.2Å; F900-I904 PolarHBondContact O-N 3.32Å; F900-V922 HydrophobicContact CE2-CB 4.45Å; F900-V922 HydrophobicContact CE2-CG1 4.02Å; F900-V922 HydrophobicContact CE2-CG2 4.49Å; F900-V922 HydrophobicContact CZ-CG1 4.25Å; F900-W925 HydrophobicContact CB-CE3 3.76Å; F900-W925 HydrophobicContact CB-CZ3 3.76Å; F900-W925 HydrophobicContact CD2-CB 3.98Å; F900-W925 HydrophobicContact CD2-CD2 4.22Å; F900-W925 AromaticContact CD2-CE3 3.57Å; F900-W925 HydrophobicContact CD2-CE3 3.57Å; F900-W925 HydrophobicContact CD2-CG 4.43Å; F900-W925 HydrophobicContact CD2-CZ3 4.4Å; F900-W925 HydrophobicContact CE2-CB 3.78Å; F900-W925 HydrophobicContact CE2-CE3 4.5Å; F900-W925 AromaticContact CG-CE3 3.92Å; F900-W925 HydrophobicContact CG-CE3 3.92Å; F900-W925 HydrophobicContact CG-CZ3 4.43Å; F900-L926 HydrophobicContact CE1-CD2 4.37Å; F900-L926 HydrophobicContact CZ-CD2 3.72Å; F900-L926 HydrophobicContact CZ-CG 3.98Å; F900-W979 HydrophobicContact CB-CH2 4.23Å; F900-W979 HydrophobicContact CB-CZ3 3.78Å; F900-W979 AromaticContact CD1-CE3 3.89Å; F900-W979 HydrophobicContact CD1-CE3 3.89Å; F900-W979 AromaticContact CD1-CZ3 3.68Å; F900-W979 HydrophobicContact CD1-CZ3 3.68Å; F900-W979 HydrophobicContact CD2-CZ3 4.41Å; F900-W979 HydrophobicContact CE1-CE3 4.41Å; F900-W979 HydrophobicContact CE1-CZ3 4.41Å; F900-W979 HydrophobicContact CG-CE3 4.39Å; F900-W979 AromaticContact CG-CZ3 3.71Å; F900-W979 HydrophobicContact CG-CZ3 3.71Å; F900-E982 HydrophobicContact CB-CG 4.46Å; F900-E982 HydrophobicContact CD1-CB 3.82Å; F900-E982 HydrophobicContact CD1-CG 3.37Å; F900-E982 HydrophobicContact CE1-CB 4.14Å; F900-E982 HydrophobicContact CE1-CG 3.93Å; F900-E982 HydrophobicContact CG-CG 4.24Å |
| 901 | R | 88.5 | Confident | 78.3 | Confident | 121 Ų | 121 | 54.1 Ų | 54.1 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.4 | -49.3 | 173.5 | -177 | 176.3 | 176.4 | 169.7 | 1.1 | 112.6 | A897 D898 I899 M903 I904 D905 E982 | A897-R901 PolarHBondContact O-N 3.16Å; D898-R901 WeakPolarHBondContact O-CB 3.46Å; D898-R901 PolarHBondContact O-N 3.45Å; I899-R901 VanDerWaalsContact C-N 3.33Å; I899-R901 PolarHBondContact O-N 3.25Å; R901-M903 VanDerWaalsContact C-N 3.29Å; R901-M903 PolarHBondContact O-N 3.18Å; R901-I904 WeakPolarHBondContact O-CA 3.42Å; R901-I904 WeakPolarHBondContact O-CB 3.48Å; R901-I904 PolarHBondContact O-N 3.32Å; R901-D905 PolarHBondContact O-N 3.4Å; R901-E982 WeakPolarHBondContact CA-OE1 3.48Å; R901-E982 VanDerWaalsContact CB-CD 3.42Å; R901-E982 HydrophobicContact CB-CG 4.19Å; R901-E982 WeakPolarHBondContact CB-OE1 3.47Å; R901-E982 WeakPolarHBondContact CB-OE2 3.48Å; R901-E982 WeakPolarHBondContact CG-OE1 3.39Å |
| 902 | Q | 88.1 | Confident | 80.7 | Confident | 40 Ų | 40 | 46 Ų | 46 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -30.9 | 179.5 | -69.6 | -178 | 20.5 | 0 | 0 | 112.8 | Q863 L866 D898 I899 F900 I904 D905 A906 | Q863-Q902 VanDerWaalsContact CG-NE2 3.32Å; Q863-Q902 PolarHBondContact O-OE1 3.35Å; L866-Q902 HydrophobicContact CB-CB 4.37Å; L866-Q902 HydrophobicContact CD1-CB 3.89Å; D898-Q902 WeakPolarHBondContact O-CG 3.25Å; D898-Q902 PolarHBondContact O-N 3.4Å; D898-Q902 VanDerWaalsContact O-N 3.13Å; I899-Q902 PolarHBondContact O-N 3.37Å; F900-Q902 PolarHBondContact O-N 3.44Å; Q902-I904 VanDerWaalsContact C-N 3.33Å; Q902-D905 PolarHBondContact O-N 3.09Å; Q902-A906 PolarHBondContact O-N 3.36Å; Q902-A906 VanDerWaalsContact O-N 3.08Å |
| 903 | M | 90 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 170.4 | -70.5 | -165.4 | -63.9 | 0 | 0 | 112.6 | L866 V881 I899 F900 R901 A906 A921 V922 W925 | L866-M903 HydrophobicContact CD1-CG 4.05Å; L866-M903 HydrophobicContact CD2-CG 4.14Å; V881-M903 HydrophobicContact CB-SD 3.84Å; V881-M903 HydrophobicContact CG1-CE 3.69Å; V881-M903 HydrophobicContact CG1-CG 4.45Å; V881-M903 HydrophobicContact CG1-SD 3.34Å; V881-M903 WeakPolarHBondContact CG1-SD 3.3Å; I899-M903 WeakPolarHBondContact O-CG 3.34Å; I899-M903 PolarHBondContact O-N 3.37Å; F900-M903 HydrophobicContact CD2-CE 3.82Å; F900-M903 WeakPolarHBondContact O-CB 3.09Å; F900-M903 PolarHBondContact O-N 2.67Å; R901-M903 VanDerWaalsContact C-N 3.29Å; R901-M903 PolarHBondContact O-N 3.18Å; M903-A906 WeakPolarHBondContact O-CB 3.34Å; M903-A906 PolarHBondContact O-N 3.31Å; M903-A921 HydrophobicContact SD-CB 3.9Å; M903-V922 HydrophobicContact CB-CG2 4Å; M903-W925 HydrophobicContact CE-CD2 3.5Å; M903-W925 VanDerWaalsContact CE-CD2 3.5Å; M903-W925 HydrophobicContact CE-CE3 3.57Å; M903-W925 HydrophobicContact CE-CG 4.01Å; M903-W925 HydrophobicContact CE-CH2 4.12Å; M903-W925 HydrophobicContact CE-CZ2 4.08Å; M903-W925 HydrophobicContact CE-CZ3 3.86Å |
| 904 | I | 90.9 | Very high | 84.9 | Confident | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 173.1 | -68.4 | 161.1 | 0 | 0 | 0 | 110.3 | F900 R901 Q902 A906 L907 V922 E982 | F900-I904 HydrophobicContact CD1-CD1 3.98Å; F900-I904 HydrophobicContact CE1-CD1 3.76Å; F900-I904 HydrophobicContact CE2-CD1 4.41Å; F900-I904 HydrophobicContact CG-CD1 4.37Å; F900-I904 HydrophobicContact CZ-CD1 3.97Å; F900-I904 HydrophobicContact CZ-CG1 4.46Å; F900-I904 WeakPolarHBondContact O-CG1 3.2Å; F900-I904 PolarHBondContact O-N 3.32Å; R901-I904 WeakPolarHBondContact O-CA 3.42Å; R901-I904 WeakPolarHBondContact O-CB 3.48Å; R901-I904 PolarHBondContact O-N 3.32Å; Q902-I904 VanDerWaalsContact C-N 3.33Å; I904-A906 PolarHBondContact O-N 3.19Å; I904-L907 HydrophobicContact CG2-CD1 4.26Å; I904-L907 WeakPolarHBondContact O-CB 3.32Å; I904-L907 WeakPolarHBondContact O-CG 3.16Å; I904-L907 PolarHBondContact O-N 3.25Å; I904-V922 HydrophobicContact CG1-CG1 4.37Å; I904-V922 HydrophobicContact CG1-CG2 4.18Å; I904-E982 HydrophobicContact CD1-CG 3.65Å; I904-E982 VanDerWaalsContact CD1-O 3.29Å; I904-E982 WeakPolarHBondContact CD1-O 3.2Å; I904-E982 WeakPolarHBondContact CD1-OE1 3.36Å |
| 905 | D | 91.1 | Very high | 87 | Confident | 94 Ų | 94 | 41.3 Ų | 41.3 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.7 | -37.4 | 174.4 | -66.1 | -29.3 | 0 | 0 | 0 | 111.1 | R901 Q902 L907 N908 | R901-D905 PolarHBondContact O-N 3.4Å; Q902-D905 PolarHBondContact O-N 3.09Å; D905-L907 PolarHBondContact O-N 3.08Å; D905-N908 PolarHBondContact O-N 3.37Å; D905-N908 VanDerWaalsContact O-N 3.09Å |
| 906 | A | 92.1 | Very high | 88.8 | Confident | 8 Ų | 8 | 41 Ų | 41 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -66.5 | -12 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q902 M903 I904 N908 D909 V914 A918 | Q902-A906 PolarHBondContact O-N 3.36Å; Q902-A906 VanDerWaalsContact O-N 3.08Å; M903-A906 WeakPolarHBondContact O-CB 3.34Å; M903-A906 PolarHBondContact O-N 3.31Å; I904-A906 PolarHBondContact O-N 3.19Å; A906-N908 PolarHBondContact O-N 3.13Å; A906-D909 WeakPolarHBondContact O-CB 3.46Å; A906-D909 PolarHBondContact O-N 2.82Å; A906-V914 HydrophobicContact CB-CG1 4.18Å; A906-A918 HydrophobicContact CB-CB 3.96Å |
| 907 | L | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -64.8 | -27.8 | 169.9 | -63.5 | 175.4 | 0 | 0 | 0 | 111.7 | I904 D905 R915 A918 C919 V922 L990 L993 | I904-L907 HydrophobicContact CG2-CD1 4.26Å; I904-L907 WeakPolarHBondContact O-CB 3.32Å; I904-L907 WeakPolarHBondContact O-CG 3.16Å; I904-L907 PolarHBondContact O-N 3.25Å; D905-L907 PolarHBondContact O-N 3.08Å; L907-R915 WeakPolarHBondContact O-CD 3.42Å; L907-R915 WeakPolarHBondContact O-CG 3.47Å; L907-A918 HydrophobicContact CD2-CB 3.99Å; L907-C919 HydrophobicContact CD2-CB 4.29Å; L907-C919 VanDerWaalsContact CD2-SG 3.59Å; L907-V922 HydrophobicContact CD1-CG2 4.38Å; L907-V922 HydrophobicContact CD2-CG2 4.23Å; L907-V922 HydrophobicContact CG-CG2 4.35Å; L907-L990 HydrophobicContact CD1-CD2 3.94Å; L907-L990 HydrophobicContact CD1-CG 4.07Å; L907-L990 HydrophobicContact CD2-CD2 4.26Å; L907-L993 HydrophobicContact CB-CD1 3.94Å; L907-L993 HydrophobicContact CD2-CD1 4.14Å |
| 908 | N | 91.9 | Very high | 90.7 | Very high | 98 Ų | 98 | 40.5 Ų | 40.5 | 52% | 0.524 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -95.8 | 14.2 | 179.7 | -64.9 | -50.8 | 0 | 0 | 0 | 112.9 | D905 A906 S989 | D905-N908 PolarHBondContact O-N 3.37Å; D905-N908 VanDerWaalsContact O-N 3.09Å; A906-N908 PolarHBondContact O-N 3.13Å; N908-S989 PolarHBondContact ND2-OG 3.49Å |
| 909 | D | 92.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | trans | -63.8 | 142.9 | -178.3 | -161.8 | -63.2 | 0 | 0 | 0 | 112.1 | R874 A906 C911 V914 R915 | R874-D909 IonicContact CZ-OD2 4Å; R874-D909 IonicContact NE-OD2 3.47Å; R874-D909 PolarHBondContact NE-OD2 3.21Å; R874-D909 IonicContact NH2-OD1 2.83Å; R874-D909 PolarHBondContact NH2-OD1 3.41Å; R874-D909 IonicContact NH2-OD2 2.62Å; R874-D909 PolarHBondContact NH2-OD2 3.45Å; A906-D909 WeakPolarHBondContact O-CB 3.46Å; A906-D909 PolarHBondContact O-N 2.82Å; D909-C911 PolarHBondContact O-N 3.27Å; D909-C911 WeakPolarHBondContact OD1-CB 3.4Å; D909-C911 PolarHBondContact OD1-N 2.98Å; D909-V914 HydrophobicContact CB-CB 3.95Å; D909-V914 HydrophobicContact CB-CG1 3.73Å; D909-R915 HydrophobicContact CB-CG 4.17Å; D909-R915 WeakPolarHBondContact O-CD 3.49Å; D909-R915 WeakPolarHBondContact O-CG 3.4Å; D909-R915 PolarHBondContact O-NH1 3.33Å | ||
| 910 | S | 90.8 | Very high | 91.6 | Very high | 112 Ų | 112 | 42.5 Ų | 42.5 | 78% | 0.783 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -58.3 | -33.3 | 173.7 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | R915 | S910-R915 PolarHBondContact O-NH1 3.47Š|
| 911 | C | 93.5 | Very high | 91.8 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -83.2 | 121.3 | -178.4 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | D871 D909 Q913 V914 R915 | D871-C911 HydrophobicContact CB-CB 4.14Å; D871-C911 PolarHBondContact OD2-SG 3.34Å; D871-C911 VanDerWaalsContact OD2-SG 3.38Å; D909-C911 PolarHBondContact O-N 3.27Å; D909-C911 WeakPolarHBondContact OD1-CB 3.4Å; D909-C911 PolarHBondContact OD1-N 2.98Å; C911-Q913 VanDerWaalsContact C-N 3.26Å; C911-Q913 PolarHBondContact O-N 3.42Å; C911-V914 HydrophobicContact CB-CB 4.25Å; C911-V914 HydrophobicContact CB-CG2 3.81Å; C911-V914 PolarHBondContact O-N 3.2Å; C911-R915 PolarHBondContact O-N 3.02Å; C911-R915 VanDerWaalsContact O-N 3.14Å |
| 912 | T | 91.9 | Very high | 92 | Very high | 60 Ų | 60 | 36.8 Ų | 36.8 | 37% | 0.368 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.4 | -36.1 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 112.9 | R915 R916 D998 | T912-R915 PolarHBondContact O-N 2.73Å; T912-R915 PolarHBondContact OG1-NH2 2.97Å; T912-R916 WeakPolarHBondContact O-CB 3.3Å; T912-R916 PolarHBondContact O-N 2.92Å; T912-D998 HydrophobicContact CG2-CB 3.55Å |
| 913 | Q | 91.8 | Very high | 92 | Very high | 78 Ų | 78 | 35.1 Ų | 35.1 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70 | -36.8 | -179.3 | -171.8 | 67.1 | 1.1 | 0 | 0 | 111.7 | V875 C911 R916 T917 | V875-Q913 HydrophobicContact CG1-CG 4.02Å; V875-Q913 HydrophobicContact CG2-CB 4.06Å; V875-Q913 HydrophobicContact CG2-CG 3.7Å; C911-Q913 VanDerWaalsContact C-N 3.26Å; C911-Q913 PolarHBondContact O-N 3.42Å; Q913-R916 PolarHBondContact O-N 3.26Å; Q913-T917 PolarHBondContact O-N 3.46Å; Q913-T917 VanDerWaalsContact O-N 3.12Å; Q913-T917 PolarHBondContact O-OG1 3.02Å |
| 914 | V | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -52 | 174 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | D871 R874 V875 A906 D909 C911 R916 T917 A918 | D871-V914 HydrophobicContact CB-CG2 4.14Å; R874-V914 HydrophobicContact CB-CG1 4.17Å; R874-V914 HydrophobicContact CB-CG2 4.03Å; V875-V914 HydrophobicContact CG2-CB 4.32Å; V875-V914 HydrophobicContact CG2-CG2 3.62Å; A906-V914 HydrophobicContact CB-CG1 4.18Å; D909-V914 HydrophobicContact CB-CB 3.95Å; D909-V914 HydrophobicContact CB-CG1 3.73Å; C911-V914 HydrophobicContact CB-CB 4.25Å; C911-V914 HydrophobicContact CB-CG2 3.81Å; C911-V914 PolarHBondContact O-N 3.2Å; V914-R916 VanDerWaalsContact C-N 3.3Å; V914-R916 PolarHBondContact O-N 2.95Å; V914-T917 PolarHBondContact O-N 3.3Å; V914-T917 VanDerWaalsContact O-N 3.12Å; V914-T917 PolarHBondContact O-OG1 2.9Å; V914-A918 VanDerWaalsContact O-CB 3.31Å; V914-A918 WeakPolarHBondContact O-CB 3.18Å; V914-A918 PolarHBondContact O-N 2.87Å |
| 915 | R | 93.7 | Very high | 91.8 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.2 | -45.7 | 177.4 | -63.7 | -159.9 | -59.8 | -73.3 | -2.3 | 112 | L907 D909 S910 C911 T912 T917 A918 C919 D996 T1001 | L907-R915 WeakPolarHBondContact O-CD 3.42Å; L907-R915 WeakPolarHBondContact O-CG 3.47Å; D909-R915 HydrophobicContact CB-CG 4.17Å; D909-R915 WeakPolarHBondContact O-CD 3.49Å; D909-R915 WeakPolarHBondContact O-CG 3.4Å; D909-R915 PolarHBondContact O-NH1 3.33Å; S910-R915 PolarHBondContact O-NH1 3.47Å; C911-R915 PolarHBondContact O-N 3.02Å; C911-R915 VanDerWaalsContact O-N 3.14Å; T912-R915 PolarHBondContact O-N 2.73Å; T912-R915 PolarHBondContact OG1-NH2 2.97Å; R915-T917 PolarHBondContact O-N 2.91Å; R915-A918 PolarHBondContact O-N 3Å; R915-C919 WeakPolarHBondContact O-CB 3.41Å; R915-C919 PolarHBondContact O-N 2.89Å; R915-C919 PolarHBondContact O-SG 3.36Å; R915-D996 IonicContact CZ-OD2 2.83Å; R915-D996 VanDerWaalsContact CZ-OD2 3.29Å; R915-D996 IonicContact NE-OD2 2.86Å; R915-D996 PolarHBondContact NE-OD2 3.08Å; R915-D996 IonicContact NH2-OD1 3.99Å; R915-D996 PolarHBondContact NH2-OD1 2.89Å; R915-D996 IonicContact NH2-OD2 2.71Å; R915-D996 PolarHBondContact NH2-OD2 3.49Å; R915-T1001 HydrophobicContact CB-CG2 4.33Å |
| 916 | R | 93.1 | Very high | 91.6 | Very high | 66 Ų | 66 | 33.4 Ų | 33.4 | 25% | 0.249 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.7 | -49.3 | 177.5 | 179.9 | -174.9 | -78.2 | -173.6 | -12.5 | 112.1 | T912 Q913 V914 R920 D998 V1000 | T912-R916 WeakPolarHBondContact O-CB 3.3Å; T912-R916 PolarHBondContact O-N 2.92Å; Q913-R916 PolarHBondContact O-N 3.26Å; V914-R916 VanDerWaalsContact C-N 3.3Å; V914-R916 PolarHBondContact O-N 2.95Å; R916-R920 PolarHBondContact O-N 3.47Å; R916-D998 IonicContact CZ-OD1 3.77Å; R916-D998 IonicContact CZ-OD2 3.47Å; R916-D998 IonicContact NE-OD2 2.78Å; R916-D998 PolarHBondContact NE-OD2 3.19Å; R916-D998 VanDerWaalsContact NE-OD2 3.09Å; R916-D998 IonicContact NH2-OD1 3.72Å; R916-D998 PolarHBondContact NH2-OD1 3.45Å; R916-D998 IonicContact NH2-OD2 2.95Å; R916-D998 PolarHBondContact NH2-OD2 3.38Å; R916-V1000 HydrophobicContact CG-CB 4.42Å; R916-V1000 HydrophobicContact CG-CG1 3.9Å; R916-V1000 VanDerWaalsContact NH2-CG2 3.31Å |
| 917 | T | 92.1 | Very high | 91.2 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.8 | -35.9 | 179.5 | 43.4 | 0 | 0 | 0 | 0 | 113.2 | V875 Q913 V914 R915 R920 A921 | V875-T917 HydrophobicContact CG1-CG2 3.89Å; Q913-T917 PolarHBondContact O-N 3.46Å; Q913-T917 VanDerWaalsContact O-N 3.12Å; Q913-T917 PolarHBondContact O-OG1 3.02Å; V914-T917 PolarHBondContact O-N 3.3Å; V914-T917 VanDerWaalsContact O-N 3.12Å; V914-T917 PolarHBondContact O-OG1 2.9Å; R915-T917 PolarHBondContact O-N 2.91Å; T917-R920 PolarHBondContact O-N 2.91Å; T917-A921 WeakPolarHBondContact O-CB 3.43Å; T917-A921 PolarHBondContact O-N 3.08Å |
| 918 | A | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A906 L907 V914 R915 R920 A921 V922 | A906-A918 HydrophobicContact CB-CB 3.96Å; L907-A918 HydrophobicContact CD2-CB 3.99Å; V914-A918 VanDerWaalsContact O-CB 3.31Å; V914-A918 WeakPolarHBondContact O-CB 3.18Å; V914-A918 PolarHBondContact O-N 2.87Å; R915-A918 PolarHBondContact O-N 3Å; A918-R920 VanDerWaalsContact C-N 3.28Å; A918-R920 PolarHBondContact O-N 3.31Å; A918-A921 PolarHBondContact O-N 3.41Å; A918-A921 VanDerWaalsContact O-N 3.09Å; A918-V922 WeakPolarHBondContact O-CB 3.3Å; A918-V922 WeakPolarHBondContact O-CG2 3.34Å; A918-V922 PolarHBondContact O-N 2.9Å |
| 919 | C | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54 | -44.7 | 174.8 | -75.8 | 0 | 0 | 0 | 0 | 112.3 | L907 R915 G923 L993 H1004 | L907-C919 HydrophobicContact CD2-CB 4.29Å; L907-C919 VanDerWaalsContact CD2-SG 3.59Å; R915-C919 WeakPolarHBondContact O-CB 3.41Å; R915-C919 PolarHBondContact O-N 2.89Å; R915-C919 PolarHBondContact O-SG 3.36Å; C919-G923 PolarHBondContact O-N 2.96Å; C919-L993 WeakPolarHBondContact SG-CD1 3.24Å; C919-H1004 HydrophobicContact CB-CB 3.75Å |
| 920 | R | 92.8 | Very high | 89.6 | Confident | 114 Ų | 114 | 32.4 Ų | 32.4 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.2 | -44.5 | 177.4 | -177.6 | 178.3 | 175.4 | 178.8 | -0.8 | 111.7 | R916 T917 A918 G923 N924 | R916-R920 PolarHBondContact O-N 3.47Å; T917-R920 PolarHBondContact O-N 2.91Å; A918-R920 VanDerWaalsContact C-N 3.28Å; A918-R920 PolarHBondContact O-N 3.31Å; R920-G923 PolarHBondContact O-N 3.36Å; R920-N924 VanDerWaalsContact O-CG 3.31Å; R920-N924 PolarHBondContact O-N 3.09Å; R920-N924 PolarHBondContact O-OD1 2.9Å |
| 921 | A | 90.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.9 | -48 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C878 M903 T917 A918 G923 N924 W925 | C878-A921 VanDerWaalsContact O-CB 3.3Å; C878-A921 WeakPolarHBondContact O-CB 3.35Å; M903-A921 HydrophobicContact SD-CB 3.9Å; T917-A921 WeakPolarHBondContact O-CB 3.43Å; T917-A921 PolarHBondContact O-N 3.08Å; A918-A921 PolarHBondContact O-N 3.41Å; A918-A921 VanDerWaalsContact O-N 3.09Å; A921-G923 VanDerWaalsContact C-N 3.34Å; A921-G923 PolarHBondContact O-N 2.98Å; A921-N924 PolarHBondContact O-N 2.92Å; A921-W925 PolarHBondContact O-N 3.4Å |
| 922 | V | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 175 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | F900 M903 I904 L907 A918 N924 W925 L926 | F900-V922 HydrophobicContact CE2-CB 4.45Å; F900-V922 HydrophobicContact CE2-CG1 4.02Å; F900-V922 HydrophobicContact CE2-CG2 4.49Å; F900-V922 HydrophobicContact CZ-CG1 4.25Å; M903-V922 HydrophobicContact CB-CG2 4Å; I904-V922 HydrophobicContact CG1-CG1 4.37Å; I904-V922 HydrophobicContact CG1-CG2 4.18Å; L907-V922 HydrophobicContact CD1-CG2 4.38Å; L907-V922 HydrophobicContact CD2-CG2 4.23Å; L907-V922 HydrophobicContact CG-CG2 4.35Å; A918-V922 WeakPolarHBondContact O-CB 3.3Å; A918-V922 WeakPolarHBondContact O-CG2 3.34Å; A918-V922 PolarHBondContact O-N 2.9Å; V922-N924 VanDerWaalsContact C-N 3.35Å; V922-N924 PolarHBondContact O-N 2.86Å; V922-W925 PolarHBondContact O-N 2.92Å; V922-L926 HydrophobicContact CG1-CD1 3.92Å; V922-L926 HydrophobicContact CG1-CG 4.3Å; V922-L926 WeakPolarHBondContact O-CG 3.29Å; V922-L926 PolarHBondContact O-N 3.19Å |
| 923 | G | 88.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.6 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C919 R920 A921 G927 N1011 | C919-G923 PolarHBondContact O-N 2.96Å; R920-G923 PolarHBondContact O-N 3.36Å; A921-G923 VanDerWaalsContact C-N 3.34Å; A921-G923 PolarHBondContact O-N 2.98Å; G923-G927 PolarHBondContact O-N 3.04Å; G923-G927 VanDerWaalsContact O-N 3.14Å; G923-N1011 PolarHBondContact O-ND2 2.82Å |
| 924 | N | 88.1 | Confident | 85.9 | Confident | 56 Ų | 56 | 29.9 Ų | 29.9 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.9 | -47.7 | 175.4 | -75.3 | -1.8 | 0 | 0 | 0 | 111.5 | G882 R920 A921 V922 G927 Y928 | G882-N924 PolarHBondContact O-ND2 2.88Å; R920-N924 VanDerWaalsContact O-CG 3.31Å; R920-N924 PolarHBondContact O-N 3.09Å; R920-N924 PolarHBondContact O-OD1 2.9Å; A921-N924 PolarHBondContact O-N 2.92Å; V922-N924 VanDerWaalsContact C-N 3.35Å; V922-N924 PolarHBondContact O-N 2.86Å; N924-G927 WeakPolarHBondContact O-CA 3.49Å; N924-G927 PolarHBondContact O-N 3.46Å; N924-G927 VanDerWaalsContact O-N 3.14Å; N924-Y928 WeakPolarHBondContact O-CD2 3.33Å; N924-Y928 PolarHBondContact O-N 3.27Å; N924-Y928 VanDerWaalsContact O-N 3.1Å |
| 925 | W | 88.3 | Confident | 84.2 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | -179 | -82.5 | 38.3 | 0 | 0 | 0 | 112.9 | V881 L884 P886 Q896 I899 F900 M903 A921 V922 G927 Y928 V929 W979 | V881-W925 HydrophobicContact CG1-CH2 3.82Å; V881-W925 HydrophobicContact CG1-CZ2 3.27Å; V881-W925 PolarHBondContact O-NE1 3.27Å; L884-W925 PolarHBondContact O-NE1 3.3Å; P886-W925 HydrophobicContact CB-CD2 4.37Å; P886-W925 HydrophobicContact CB-CE3 4.32Å; P886-W925 HydrophobicContact CB-CH2 4.38Å; P886-W925 HydrophobicContact CB-CZ2 4.39Å; P886-W925 HydrophobicContact CB-CZ3 4.34Å; P886-W925 HydrophobicContact CG-CD2 4.37Å; Q896-W925 WeakPolarHBondContact O-CZ3 3.4Å; I899-W925 HydrophobicContact CB-CH2 4.43Å; I899-W925 HydrophobicContact CG2-CH2 3.97Å; I899-W925 HydrophobicContact CG2-CZ3 4.49Å; F900-W925 HydrophobicContact CB-CE3 3.76Å; F900-W925 HydrophobicContact CB-CZ3 3.76Å; F900-W925 HydrophobicContact CD2-CB 3.98Å; F900-W925 HydrophobicContact CD2-CD2 4.22Å; F900-W925 AromaticContact CD2-CE3 3.57Å; F900-W925 HydrophobicContact CD2-CE3 3.57Å; F900-W925 HydrophobicContact CD2-CG 4.43Å; F900-W925 HydrophobicContact CD2-CZ3 4.4Å; F900-W925 HydrophobicContact CE2-CB 3.78Å; F900-W925 HydrophobicContact CE2-CE3 4.5Å; F900-W925 AromaticContact CG-CE3 3.92Å; F900-W925 HydrophobicContact CG-CE3 3.92Å; F900-W925 HydrophobicContact CG-CZ3 4.43Å; M903-W925 HydrophobicContact CE-CD2 3.5Å; M903-W925 VanDerWaalsContact CE-CD2 3.5Å; M903-W925 HydrophobicContact CE-CE3 3.57Å; M903-W925 HydrophobicContact CE-CG 4.01Å; M903-W925 HydrophobicContact CE-CH2 4.12Å; M903-W925 HydrophobicContact CE-CZ2 4.08Å; M903-W925 HydrophobicContact CE-CZ3 3.86Å; A921-W925 PolarHBondContact O-N 3.4Å; V922-W925 PolarHBondContact O-N 2.92Å; W925-G927 PolarHBondContact O-N 3.48Å; W925-Y928 PolarHBondContact O-N 3.05Å; W925-Y928 VanDerWaalsContact O-N 3.14Å; W925-V929 WeakPolarHBondContact O-CG2 3.29Å; W925-V929 PolarHBondContact O-N 2.95Å; W925-W979 AromaticContact CE3-CH2 3.78Å; W925-W979 HydrophobicContact CE3-CH2 3.78Å; W925-W979 AromaticContact CE3-CZ3 3.9Å; W925-W979 HydrophobicContact CE3-CZ3 3.9Å; W925-W979 AromaticContact CZ3-CH2 3.71Å; W925-W979 HydrophobicContact CZ3-CH2 3.71Å; W925-W979 HydrophobicContact CZ3-CZ3 4.23Å |
| 926 | L | 87.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.3 | -38.9 | 171.2 | -72.3 | 172.9 | 0 | 0 | 0 | 111.9 | F900 V922 V929 A930 A983 L990 N1011 L1012 V1015 | F900-L926 HydrophobicContact CE1-CD2 4.37Å; F900-L926 HydrophobicContact CZ-CD2 3.72Å; F900-L926 HydrophobicContact CZ-CG 3.98Å; V922-L926 HydrophobicContact CG1-CD1 3.92Å; V922-L926 HydrophobicContact CG1-CG 4.3Å; V922-L926 WeakPolarHBondContact O-CG 3.29Å; V922-L926 PolarHBondContact O-N 3.19Å; L926-V929 PolarHBondContact O-N 3.49Å; L926-A930 WeakPolarHBondContact O-CB 3.37Å; L926-A930 PolarHBondContact O-N 3.27Å; L926-A983 HydrophobicContact CD2-CB 3.75Å; L926-L990 HydrophobicContact CD1-CD1 4.25Å; L926-N1011 HydrophobicContact CB-CB 4.06Å; L926-L1012 HydrophobicContact CD1-CB 4.11Å; L926-L1012 HydrophobicContact CD1-CD1 3.96Å; L926-L1012 HydrophobicContact CD2-CD1 3.55Å; L926-L1012 HydrophobicContact CG-CD1 4.37Å; L926-V1015 HydrophobicContact CD2-CG2 4.4Å |
| 927 | G | 84.2 | Confident | 79.4 | Confident | 23 Ų | 23 | 35.1 Ų | 35.1 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G923 N924 W925 A931 | G923-G927 PolarHBondContact O-N 3.04Å; G923-G927 VanDerWaalsContact O-N 3.14Å; N924-G927 WeakPolarHBondContact O-CA 3.49Å; N924-G927 PolarHBondContact O-N 3.46Å; N924-G927 VanDerWaalsContact O-N 3.14Å; W925-G927 PolarHBondContact O-N 3.48Å; G927-A931 WeakPolarHBondContact O-CB 3.43Å; G927-A931 PolarHBondContact O-N 3.06Å |
| 928 | Y | 81.3 | Confident | 76.6 | Confident | 80 Ų | 80 | 39.3 Ų | 39.3 | 31% | 0.314 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 175 | -74.4 | -69.5 | 0 | 0 | 0 | 112.2 | E885 P886 F887 N924 W925 A930 A931 K932 | E885-Y928 HydrophobicContact CB-CE1 4.49Å; E885-Y928 HydrophobicContact CG-CE1 3.8Å; E885-Y928 HydrophobicContact CG-CE2 4.48Å; E885-Y928 WeakPolarHBondContact CG-OH 3.38Å; E885-Y928 PolarHBondContact OE1-OH 3.03Å; P886-Y928 HydrophobicContact CG-CG 4.37Å; F887-Y928 WeakPolarHBondContact CE2-O 3.29Å; N924-Y928 WeakPolarHBondContact O-CD2 3.33Å; N924-Y928 PolarHBondContact O-N 3.27Å; N924-Y928 VanDerWaalsContact O-N 3.1Å; W925-Y928 PolarHBondContact O-N 3.05Å; W925-Y928 VanDerWaalsContact O-N 3.14Å; Y928-A930 PolarHBondContact O-N 2.86Å; Y928-A931 PolarHBondContact O-N 3.41Å; Y928-K932 PolarHBondContact O-N 3.17Å |
| 929 | V | 81.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 178.7 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | F887 W925 L926 A931 K932 F933 W979 V1015 | F887-V929 HydrophobicContact CZ-CG2 4.01Å; W925-V929 WeakPolarHBondContact O-CG2 3.29Å; W925-V929 PolarHBondContact O-N 2.95Å; L926-V929 PolarHBondContact O-N 3.49Å; V929-A931 VanDerWaalsContact C-N 3.35Å; V929-A931 PolarHBondContact O-N 3Å; V929-K932 PolarHBondContact O-N 3.48Å; V929-F933 HydrophobicContact CG1-CD2 4.11Å; V929-F933 HydrophobicContact CG1-CE1 4.43Å; V929-F933 HydrophobicContact CG1-CE2 3.65Å; V929-F933 HydrophobicContact CG1-CZ 3.82Å; V929-F933 PolarHBondContact O-N 3.45Å; V929-W979 HydrophobicContact CG1-CB 4.39Å; V929-W979 HydrophobicContact CG2-CD2 4.39Å; V929-W979 HydrophobicContact CG2-CE3 3.78Å; V929-W979 HydrophobicContact CG2-CZ3 4.13Å; V929-V1015 HydrophobicContact CG1-CG1 4Å; V929-V1015 HydrophobicContact CG1-CG2 4.39Å |
| 930 | A | 79.6 | Confident | 70.4 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L926 Y928 K932 F933 K934 N1014 V1015 | L926-A930 WeakPolarHBondContact O-CB 3.37Å; L926-A930 PolarHBondContact O-N 3.27Å; Y928-A930 PolarHBondContact O-N 2.86Å; A930-K932 PolarHBondContact O-N 3.26Å; A930-F933 PolarHBondContact O-N 2.98Å; A930-K934 WeakPolarHBondContact O-CG 3.46Å; A930-K934 PolarHBondContact O-N 3.39Å; A930-N1014 HydrophobicContact CB-CB 3.61Å; A930-N1014 WeakPolarHBondContact CB-O 3.12Å; A930-V1015 HydrophobicContact CB-CG2 4.02Å |
| 931 | A | 78.9 | Confident | 67.2 | Low | 56 Ų | 56 | 58.3 Ų | 58.3 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | G927 Y928 V929 K934 T935 | G927-A931 WeakPolarHBondContact O-CB 3.43Å; G927-A931 PolarHBondContact O-N 3.06Å; Y928-A931 PolarHBondContact O-N 3.41Å; V929-A931 VanDerWaalsContact C-N 3.35Å; V929-A931 PolarHBondContact O-N 3Å; A931-K934 PolarHBondContact O-N 3.46Å; A931-T935 PolarHBondContact O-N 3.46Å; A931-T935 PolarHBondContact O-OG1 3.35Å |
| 932 | K | 73.8 | Confident | 64 | Low | 45 Ų | 45 | 63.3 Ų | 63.3 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.2 | -30.7 | -180 | -169.8 | 167.7 | 171.8 | -163.1 | 0 | 113.2 | F887 Y928 V929 A930 T935 F971 | F887-K932 HydrophobicContact CB-CD 4.08Å; F887-K932 HydrophobicContact CD1-CD 3.79Å; F887-K932 HydrophobicContact CD2-CB 4.15Å; F887-K932 HydrophobicContact CD2-CD 3.38Å; F887-K932 HydrophobicContact CD2-CG 4.37Å; F887-K932 HydrophobicContact CE1-CD 4.11Å; F887-K932 HydrophobicContact CE2-CB 3.9Å; F887-K932 HydrophobicContact CE2-CD 3.67Å; F887-K932 HydrophobicContact CE2-CG 4.42Å; F887-K932 HydrophobicContact CG-CD 3.42Å; F887-K932 VanDerWaalsContact CG-CD 3.42Å; F887-K932 HydrophobicContact CZ-CD 4.04Å; Y928-K932 PolarHBondContact O-N 3.17Å; V929-K932 PolarHBondContact O-N 3.48Å; A930-K932 PolarHBondContact O-N 3.26Å; K932-T935 PolarHBondContact O-OG1 2.97Å; K932-T935 VanDerWaalsContact O-OG1 3.11Å; K932-F971 HydrophobicContact CB-CE2 4.1Å; K932-F971 HydrophobicContact CD-CD2 4.03Å; K932-F971 HydrophobicContact CD-CE1 4.38Å; K932-F971 HydrophobicContact CD-CE2 3.3Å; K932-F971 HydrophobicContact CD-CZ 3.55Å; K932-F971 VanDerWaalsContact CE-CE2 3.42Å; K932-F971 HydrophobicContact CG-CD2 4.1Å; K932-F971 HydrophobicContact CG-CE2 3.55Å; K932-F971 HydrophobicContact CG-CZ 4.29Å; K932-F971 VanDerWaalsContact NZ-CE1 3.26Å; K932-F971 VanDerWaalsContact NZ-CZ 3.32Å |
| 933 | F | 70.9 | Confident | 60.9 | Low | 9 Ų | 9 | 69 Ų | 69 | 4% | 0.039 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71 | -37.4 | 172.9 | -69.3 | -14.1 | 0 | 0 | 0 | 112.3 | V929 A930 T935 G936 G937 F971 Q976 W979 V1015 D1016 | V929-F933 HydrophobicContact CG1-CD2 4.11Å; V929-F933 HydrophobicContact CG1-CE1 4.43Å; V929-F933 HydrophobicContact CG1-CE2 3.65Å; V929-F933 HydrophobicContact CG1-CZ 3.82Å; V929-F933 PolarHBondContact O-N 3.45Å; A930-F933 PolarHBondContact O-N 2.98Å; F933-T935 PolarHBondContact O-N 3.29Å; F933-G936 PolarHBondContact O-N 2.89Å; F933-G937 PolarHBondContact O-N 2.91Å; F933-F971 AromaticContact CD1-CD2 3.97Å; F933-F971 HydrophobicContact CD1-CD2 3.97Å; F933-F971 AromaticContact CD1-CE2 3.91Å; F933-F971 HydrophobicContact CD1-CE2 3.91Å; F933-F971 AromaticContact CE1-CD2 3.59Å; F933-F971 HydrophobicContact CE1-CD2 3.59Å; F933-F971 AromaticContact CE1-CE2 3.5Å; F933-F971 HydrophobicContact CE1-CE2 3.5Å; F933-F971 VanDerWaalsContact CE1-CE2 3.5Å; F933-F971 HydrophobicContact CE1-CZ 4.42Å; F933-Q976 HydrophobicContact CD1-CG 4.47Å; F933-Q976 HydrophobicContact CE1-CB 4.34Å; F933-Q976 HydrophobicContact CE1-CG 3.7Å; F933-Q976 HydrophobicContact CZ-CG 3.74Å; F933-W979 HydrophobicContact CZ-CB 4.35Å; F933-V1015 HydrophobicContact CD2-CG1 3.84Å; F933-V1015 HydrophobicContact CE2-CG1 3.59Å; F933-D1016 HydrophobicContact CD2-CB 4.33Å |
| 934 | K | 66.4 | Low | 57.8 | Low | 110 Ų | 110 | 72.5 Ų | 72.5 | 48% | 0.478 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.8 | -34.9 | 176.4 | -72.3 | -178.3 | -177.2 | -174.4 | 0 | 113.8 | A930 A931 G936 N1014 | A930-K934 WeakPolarHBondContact O-CG 3.46Å; A930-K934 PolarHBondContact O-N 3.39Å; A931-K934 PolarHBondContact O-N 3.46Å; K934-G936 VanDerWaalsContact C-N 3.31Å; K934-N1014 PolarHBondContact NZ-OD1 3.24Å |
| 935 | T | 56.6 | Low | 54.7 | Low | 98 Ų | 98 | 82.8 Ų | 82.8 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.9 | -20.9 | 177.1 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | A931 K932 F933 | A931-T935 PolarHBondContact O-N 3.46Å; A931-T935 PolarHBondContact O-OG1 3.35Å; K932-T935 PolarHBondContact O-OG1 2.97Å; K932-T935 VanDerWaalsContact O-OG1 3.11Å; F933-T935 PolarHBondContact O-N 3.29Å |
| 936 | G | 46.3 | Very low | 51.6 | Low | 47 Ų | 47 | 86.3 Ų | 86.3 | 49% | 0.485 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -85 | -18 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F933 K934 | F933-G936 PolarHBondContact O-N 2.89Å; K934-G936 VanDerWaalsContact C-N 3.31Å |
| 937 | G | 40.8 | Very low | 48.6 | Very low | 63 Ų | 63 | 96 Ų | 96 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -99.2 | -8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | F933 R939 | F933-G937 PolarHBondContact O-N 2.91Å; G937-R939 PolarHBondContact O-N 3.5Å |
| 938 | S | 32.4 | Very low | 45.6 | Very low | 104 Ų | 104 | 104 Ų | 104 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | trans | -99.8 | 82.6 | -172.6 | 173.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 939 | R | 31.6 | Very low | 42.9 | Very low | 249 Ų | 249 | 106 Ų | 106 | 94% | 0.94 | 62% | 0.624 | S | S | * | * | trans | -139.8 | 84.3 | 145.6 | -96.7 | -171 | 175.3 | 176.7 | -0.2 | 110.1 | G937 | G937-R939 PolarHBondContact O-N 3.5Š| ||
| 940 | S | 25.2 | Very low | 40.1 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | trans | -163 | 113 | 143.3 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 941 | D | 25.6 | Very low | 37.5 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 83% | 0.829 | 71% | 0.706 | S | S | * | * | trans | 40.2 | 133.6 | 146.3 | -61.8 | -26.6 | 0 | 0 | 0 | 124.7 | ||||
| 942 | S | 23.9 | Very low | 34.8 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | 100.4 | 93.4 | 143.1 | 74.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 943 | S | 27.3 | Very low | 32.5 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | 24.7 | 120.4 | 125.2 | 59.9 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 944 | G | 23.9 | Very low | 30.3 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 168 | 120.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 945 | W | 22.6 | Very low | 28.3 | Very low | 272 Ų | 272 | 143.8 Ų | 143.8 | 100% | 1.03 | 81% | 0.813 | S | S | * | * | trans | -67.4 | 155.2 | -173.7 | -74.3 | 10.6 | 0 | 0 | 0 | 116 | ||||
| 946 | G | 22.6 | Very low | 26.7 | Very low | 80 Ų | 80 | 148.7 Ų | 148.7 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | 169.7 | 89.4 | 158 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 947 | K | 24.8 | Very low | 25.6 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | trans | -62 | 139.7 | 172.3 | -74 | 171.1 | 172.8 | 172.9 | 0 | 111.7 | ||||
| 948 | E | 22.3 | Very low | 24.9 | Very low | 189 Ų | 189 | 157 Ų | 157 | 88% | 0.883 | 85% | 0.849 | S | S | * | * | 174.8 | 108.3 | 121.1 | -99.2 | 168.8 | 179 | 0 | 0 | 112.4 | |||||
| 949 | S | 23.2 | Very low | 24.5 | Very low | 122 Ų | 122 | 158.7 Ų | 158.7 | 85% | 0.853 | 86% | 0.855 | S | S | * | * | 177.5 | 124.4 | 108.9 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 950 | N | 24 | Very low | 24.4 | Very low | 161 Ų | 161 | 156.2 Ų | 156.2 | 86% | 0.861 | 85% | 0.854 | S | S | * | * | trans | -75.9 | 136.1 | 170.4 | -100.5 | -22.5 | 0 | 0 | 0 | 109.8 | ||||
| 951 | R | 24 | Very low | 24.3 | Very low | 240 Ų | 240 | 155.2 Ų | 155.2 | 91% | 0.906 | 85% | 0.853 | S | S | * | * | 166.4 | 92.8 | 115.7 | -92.3 | 179.7 | 176.5 | -178.9 | -0.3 | 110.7 | |||||
| 952 | S | 23.6 | Very low | 24.2 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 87% | 0.867 | 86% | 0.855 | S | S | * | * | trans | 171.3 | 72.6 | 142.8 | 52.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 953 | K | 25.4 | Very low | 24.4 | Very low | 204 Ų | 204 | 151.3 Ų | 151.3 | 89% | 0.887 | 86% | 0.855 | S | S | * | * | trans | -122.3 | 115.3 | 159.8 | -90.9 | -172.9 | 176.1 | -178.1 | 0 | 106.1 | ||||
| 954 | E | 23.5 | Very low | 24.2 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 94% | 0.939 | 86% | 0.856 | S | S | * | * | trans | -162.1 | 136.8 | 141.6 | -111.1 | 166.8 | -156.4 | 0 | 0 | 109.2 | ||||
| 955 | A | 23.9 | Very low | 24.4 | Very low | 90 Ų | 90 | 154.3 Ų | 154.3 | 74% | 0.744 | 86% | 0.857 | S | S | * | * | trans | 107.3 | 47.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 956 | H | 24.2 | Very low | 24.8 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 94% | 0.935 | 85% | 0.845 | S | S | * | * | trans | -134.6 | 103.3 | 148.8 | -81.7 | -8.6 | 0 | 0 | 0 | 109.7 | ||||
| 957 | S | 23.6 | Very low | 25.3 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | trans | -137.1 | 125.7 | 163.2 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 958 | H | 24.4 | Very low | 26.1 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 83% | 0.833 | 84% | 0.836 | S | S | * | * | trans | 63.9 | 102.1 | 162.4 | -63.3 | -65.9 | 0 | 0 | 0 | 118.7 | ||||
| 959 | V | 24.7 | Very low | 27.3 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | -154.2 | 112.3 | 116 | 175.4 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 960 | E | 29.1 | Very low | 28.8 | Very low | 197 Ų | 197 | 147.1 Ų | 147.1 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -82.8 | 120.6 | 156.4 | -81.1 | 179.6 | 141.9 | 0 | 0 | 107.8 | ||||
| 961 | A | 23.1 | Very low | 30.4 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -171 | 118.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 962 | A | 24.3 | Very low | 32.3 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | 61.4 | 96.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 963 | G | 27.3 | Very low | 34.4 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | 81.3 | 84.9 | 113.7 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 964 | D | 23.2 | Very low | 36.5 | Very low | 162 Ų | 162 | 126.4 Ų | 126.4 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | -155.6 | 106.9 | 127.3 | -107.7 | -15.7 | 0 | 0 | 0 | 108.2 | V966 | D964-V966 PolarHBondContact O-N 3.26Š| |||
| 965 | A | 27.8 | Very low | 38.7 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | -70.4 | 96.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109 | T967 | A965-T967 PolarHBondContact O-N 3Å; A965-T967 VanDerWaalsContact O-N 3.11Å | ||
| 966 | V | 32.1 | Very low | 41.1 | Very low | 129 Ų | 129 | 117.8 Ų | 117.8 | 78% | 0.782 | 68% | 0.681 | S | S | * | * | trans | -70.8 | 101.7 | 164.1 | 179.9 | 0 | 0 | 0 | 0 | 106.6 | D964 E968 | D964-V966 PolarHBondContact O-N 3.26Å; V966-E968 PolarHBondContact O-N 3.36Å | ||
| 967 | T | 33.3 | Very low | 43.6 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | trans | -56.4 | 107.6 | 164.6 | 8.4 | 0 | 0 | 0 | 0 | 107.9 | A965 Q969 | A965-T967 PolarHBondContact O-N 3Å; A965-T967 VanDerWaalsContact O-N 3.11Å; T967-Q969 VanDerWaalsContact C-N 3.34Å; T967-Q969 PolarHBondContact O-N 3.37Å | ||
| 968 | E | 41.1 | Very low | 46.2 | Very low | 163 Ų | 163 | 115.4 Ų | 115.4 | 76% | 0.762 | 65% | 0.647 | S | S | * | * | trans | -60.5 | 96.4 | 169.4 | -75.3 | -174.7 | 157.6 | 0 | 0 | 108.3 | V966 M970 | V966-E968 PolarHBondContact O-N 3.36Å; E968-M970 PolarHBondContact O-N 3.39Å; E968-M970 VanDerWaalsContact O-N 3.17Å | ||
| 969 | Q | 47.3 | Very low | 48.9 | Very low | 149 Ų | 149 | 106.9 Ų | 106.9 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | trans | -68.2 | 111.7 | 170.2 | -80.2 | -177.5 | -33.6 | 0 | 0 | 108.1 | T967 | T967-Q969 VanDerWaalsContact C-N 3.34Å; T967-Q969 PolarHBondContact O-N 3.37Å | ||
| 970 | M | 54.1 | Low | 51.5 | Low | 153 Ų | 153 | 101.1 Ų | 101.1 | 75% | 0.754 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -55 | 144.4 | 167.3 | -72.4 | 178.2 | 69.5 | 0 | 0 | 109.4 | E968 D972 | E968-M970 PolarHBondContact O-N 3.39Å; E968-M970 VanDerWaalsContact O-N 3.17Å; M970-D972 PolarHBondContact O-N 3Å |
| 971 | F | 58.3 | Low | 54.1 | Low | 26 Ų | 26 | 95.5 Ų | 95.5 | 11% | 0.114 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 138.3 | 171.2 | -76 | -65.1 | 0 | 0 | 0 | 110.2 | F887 K932 F933 E975 Q976 W979 | F887-F971 HydrophobicContact CD1-CE1 4.15Å; F887-F971 AromaticContact CD1-CZ 3.84Å; F887-F971 HydrophobicContact CD1-CZ 3.84Å; F887-F971 AromaticContact CE1-CE1 3.81Å; F887-F971 HydrophobicContact CE1-CE1 3.81Å; F887-F971 HydrophobicContact CE1-CE2 4.34Å; F887-F971 AromaticContact CE1-CZ 3.27Å; F887-F971 HydrophobicContact CE1-CZ 3.27Å; F887-F971 HydrophobicContact CE2-CZ 4.48Å; F887-F971 HydrophobicContact CZ-CE2 4.36Å; F887-F971 AromaticContact CZ-CZ 3.63Å; F887-F971 HydrophobicContact CZ-CZ 3.63Å; K932-F971 HydrophobicContact CB-CE2 4.1Å; K932-F971 HydrophobicContact CD-CD2 4.03Å; K932-F971 HydrophobicContact CD-CE1 4.38Å; K932-F971 HydrophobicContact CD-CE2 3.3Å; K932-F971 HydrophobicContact CD-CZ 3.55Å; K932-F971 VanDerWaalsContact CE-CE2 3.42Å; K932-F971 HydrophobicContact CG-CD2 4.1Å; K932-F971 HydrophobicContact CG-CE2 3.55Å; K932-F971 HydrophobicContact CG-CZ 4.29Å; K932-F971 VanDerWaalsContact NZ-CE1 3.26Å; K932-F971 VanDerWaalsContact NZ-CZ 3.32Å; F933-F971 AromaticContact CD1-CD2 3.97Å; F933-F971 HydrophobicContact CD1-CD2 3.97Å; F933-F971 AromaticContact CD1-CE2 3.91Å; F933-F971 HydrophobicContact CD1-CE2 3.91Å; F933-F971 AromaticContact CE1-CD2 3.59Å; F933-F971 HydrophobicContact CE1-CD2 3.59Å; F933-F971 AromaticContact CE1-CE2 3.5Å; F933-F971 HydrophobicContact CE1-CE2 3.5Å; F933-F971 VanDerWaalsContact CE1-CE2 3.5Å; F933-F971 HydrophobicContact CE1-CZ 4.42Å; F971-E975 HydrophobicContact CD1-CB 4.06Å; F971-E975 HydrophobicContact CD1-CG 3.68Å; F971-E975 HydrophobicContact CE1-CG 3.98Å; F971-E975 WeakPolarHBondContact CE1-OE1 3.26Å; F971-Q976 HydrophobicContact CB-CB 4.18Å; F971-W979 AromaticContact CE1-CD1 3.83Å; F971-W979 AromaticContact CE1-NE1 3.88Å |
| 972 | D | 64.9 | Low | 57 | Low | 110 Ų | 110 | 91.8 Ų | 91.8 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 151.4 | 162 | -168 | 9.1 | 0 | 0 | 0 | 109.3 | M970 D974 E975 Q976 | M970-D972 PolarHBondContact O-N 3Å; D972-D974 PolarHBondContact O-N 3.13Å; D972-D974 VanDerWaalsContact O-N 3.16Å; D972-E975 PolarHBondContact O-N 3.2Å; D972-Q976 PolarHBondContact O-N 3.42Å |
| 973 | A | 66.1 | Low | 59.8 | Low | 57 Ų | 57 | 86.8 Ų | 86.8 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.7 | -33.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R977 | A973-R977 WeakPolarHBondContact O-CG 3.12Å; A973-R977 PolarHBondContact O-N 3.32Å; A973-R977 VanDerWaalsContact O-N 3.12Å |
| 974 | D | 69.5 | Low | 62.5 | Low | 101 Ų | 101 | 86 Ų | 86 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.6 | -32.8 | 176.1 | -72.4 | -22 | 0 | 0 | 0 | 112.7 | D972 R978 | D972-D974 PolarHBondContact O-N 3.13Å; D972-D974 VanDerWaalsContact O-N 3.16Å; D974-R978 WeakPolarHBondContact O-CG 3.26Å; D974-R978 PolarHBondContact O-N 2.98Å; D974-R978 VanDerWaalsContact O-N 3.12Å |
| 975 | E | 70.8 | Confident | 65.3 | Low | 33 Ų | 33 | 83.8 Ų | 83.8 | 15% | 0.154 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.2 | -41.9 | 176.7 | -163.7 | -178.8 | 170.5 | 0 | 0 | 110.8 | H893 F971 D972 R977 R978 W979 | H893-E975 WeakPolarHBondContact CB-OE1 3.44Å; H893-E975 IonicContact CG-OE1 3.59Å; H893-E975 IonicContact ND1-OE1 3.21Å; H893-E975 PolarHBondContact ND1-OE1 2.65Å; F971-E975 HydrophobicContact CD1-CB 4.06Å; F971-E975 HydrophobicContact CD1-CG 3.68Å; F971-E975 HydrophobicContact CE1-CG 3.98Å; F971-E975 WeakPolarHBondContact CE1-OE1 3.26Å; D972-E975 PolarHBondContact O-N 3.2Å; E975-R977 VanDerWaalsContact C-N 3.33Å; E975-R977 PolarHBondContact O-N 3.33Å; E975-R978 PolarHBondContact O-N 3.16Å; E975-W979 VanDerWaalsContact O-CD1 3.27Å; E975-W979 PolarHBondContact O-N 3.38Å; E975-W979 VanDerWaalsContact O-N 3.12Å |
| 976 | Q | 73.9 | Confident | 68.1 | Low | 78 Ų | 78 | 79 Ų | 79 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 173.2 | -178.5 | 167 | 5.8 | 0 | 0 | 111.1 | F933 F971 D972 R978 W979 T980 | F933-Q976 HydrophobicContact CD1-CG 4.47Å; F933-Q976 HydrophobicContact CE1-CB 4.34Å; F933-Q976 HydrophobicContact CE1-CG 3.7Å; F933-Q976 HydrophobicContact CZ-CG 3.74Å; F971-Q976 HydrophobicContact CB-CB 4.18Å; D972-Q976 PolarHBondContact O-N 3.42Å; Q976-R978 PolarHBondContact O-N 3.12Å; Q976-W979 PolarHBondContact O-N 3.07Å; Q976-T980 PolarHBondContact O-N 3.39Å; Q976-T980 PolarHBondContact O-OG1 3.28Å |
| 977 | R | 76.4 | Confident | 70.6 | Confident | 168 Ų | 168 | 73.2 Ų | 73.2 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.8 | -46.1 | 175.4 | -78 | 175.1 | 179.7 | -177.8 | 0.1 | 112.7 | A973 E975 W979 T980 D981 | A973-R977 WeakPolarHBondContact O-CG 3.12Å; A973-R977 PolarHBondContact O-N 3.32Å; A973-R977 VanDerWaalsContact O-N 3.12Å; E975-R977 VanDerWaalsContact C-N 3.33Å; E975-R977 PolarHBondContact O-N 3.33Å; R977-W979 PolarHBondContact O-N 3.15Å; R977-T980 PolarHBondContact O-N 2.94Å; R977-D981 VanDerWaalsContact O-CG 3.29Å; R977-D981 PolarHBondContact O-N 3.49Å |
| 978 | R | 78.6 | Confident | 73 | Confident | 87 Ų | 87 | 71 Ų | 71 | 33% | 0.328 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | -179.6 | -75.5 | 179.3 | 68.5 | -162.8 | 0.1 | 113.3 | N894 D898 D974 E975 Q976 D981 E982 | N894-R978 PolarHBondContact O-NH2 2.91Å; N894-R978 PolarHBondContact OD1-NH1 3.19Å; D898-R978 IonicContact OD1-NH2 3.01Å; D974-R978 WeakPolarHBondContact O-CG 3.26Å; D974-R978 PolarHBondContact O-N 2.98Å; D974-R978 VanDerWaalsContact O-N 3.12Å; E975-R978 PolarHBondContact O-N 3.16Å; Q976-R978 PolarHBondContact O-N 3.12Å; R978-D981 PolarHBondContact O-N 2.98Å; R978-E982 PolarHBondContact O-N 3.39Å; R978-E982 VanDerWaalsContact O-N 3.1Å |
| 979 | W | 80.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 176.5 | -78.7 | 104.6 | 0 | 0 | 0 | 112.2 | P886 F887 Q896 F900 W925 V929 F933 F971 E975 Q976 R977 A983 | P886-W979 HydrophobicContact CB-CH2 4.2Å; F887-W979 HydrophobicContact CE1-CZ2 4.16Å; Q896-W979 HydrophobicContact CB-CH2 4.16Å; Q896-W979 HydrophobicContact CB-CZ2 3.81Å; F900-W979 HydrophobicContact CB-CH2 4.23Å; F900-W979 HydrophobicContact CB-CZ3 3.78Å; F900-W979 AromaticContact CD1-CE3 3.89Å; F900-W979 HydrophobicContact CD1-CE3 3.89Å; F900-W979 AromaticContact CD1-CZ3 3.68Å; F900-W979 HydrophobicContact CD1-CZ3 3.68Å; F900-W979 HydrophobicContact CD2-CZ3 4.41Å; F900-W979 HydrophobicContact CE1-CE3 4.41Å; F900-W979 HydrophobicContact CE1-CZ3 4.41Å; F900-W979 HydrophobicContact CG-CE3 4.39Å; F900-W979 AromaticContact CG-CZ3 3.71Å; F900-W979 HydrophobicContact CG-CZ3 3.71Å; W925-W979 AromaticContact CE3-CH2 3.78Å; W925-W979 HydrophobicContact CE3-CH2 3.78Å; W925-W979 AromaticContact CE3-CZ3 3.9Å; W925-W979 HydrophobicContact CE3-CZ3 3.9Å; W925-W979 AromaticContact CZ3-CH2 3.71Å; W925-W979 HydrophobicContact CZ3-CH2 3.71Å; W925-W979 HydrophobicContact CZ3-CZ3 4.23Å; V929-W979 HydrophobicContact CG1-CB 4.39Å; V929-W979 HydrophobicContact CG2-CD2 4.39Å; V929-W979 HydrophobicContact CG2-CE3 3.78Å; V929-W979 HydrophobicContact CG2-CZ3 4.13Å; F933-W979 HydrophobicContact CZ-CB 4.35Å; F971-W979 AromaticContact CE1-CD1 3.83Å; F971-W979 AromaticContact CE1-NE1 3.88Å; E975-W979 VanDerWaalsContact O-CD1 3.27Å; E975-W979 PolarHBondContact O-N 3.38Å; E975-W979 VanDerWaalsContact O-N 3.12Å; Q976-W979 PolarHBondContact O-N 3.07Å; R977-W979 PolarHBondContact O-N 3.15Å; W979-A983 VanDerWaalsContact O-CB 3.25Å; W979-A983 WeakPolarHBondContact O-CB 3.24Å; W979-A983 PolarHBondContact O-N 2.76Å |
| 980 | T | 79.9 | Confident | 77.1 | Confident | 18 Ų | 18 | 57 Ų | 57 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 173.6 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | Q976 R977 E982 A983 Q984 V1018 | Q976-T980 PolarHBondContact O-N 3.39Å; Q976-T980 PolarHBondContact O-OG1 3.28Å; R977-T980 PolarHBondContact O-N 2.94Å; T980-E982 VanDerWaalsContact C-N 3.35Å; T980-E982 PolarHBondContact O-N 2.82Å; T980-A983 PolarHBondContact O-N 3.42Å; T980-Q984 WeakPolarHBondContact O-CG 3.21Å; T980-Q984 PolarHBondContact O-N 3.44Å; T980-V1018 HydrophobicContact CG2-CG2 3.86Å |
| 981 | D | 82.2 | Confident | 78.7 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 42% | 0.422 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 177.8 | -71.5 | -12.1 | 0 | 0 | 0 | 111.8 | R977 R978 Q984 R985 | R977-D981 VanDerWaalsContact O-CG 3.29Å; R977-D981 PolarHBondContact O-N 3.49Å; R978-D981 PolarHBondContact O-N 2.98Å; D981-Q984 PolarHBondContact O-N 3.45Å; D981-R985 WeakPolarHBondContact O-CG 3.34Å; D981-R985 PolarHBondContact O-N 3.37Å; D981-R985 VanDerWaalsContact O-N 3.13Å |
| 982 | E | 85.3 | Confident | 80.1 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.6 | -37.8 | 179.6 | -160.2 | 60.1 | -124.2 | 0 | 0 | 111.8 | F900 R901 I904 R978 T980 Q984 R985 S986 | F900-E982 HydrophobicContact CB-CG 4.46Å; F900-E982 HydrophobicContact CD1-CB 3.82Å; F900-E982 HydrophobicContact CD1-CG 3.37Å; F900-E982 HydrophobicContact CE1-CB 4.14Å; F900-E982 HydrophobicContact CE1-CG 3.93Å; F900-E982 HydrophobicContact CG-CG 4.24Å; R901-E982 WeakPolarHBondContact CA-OE1 3.48Å; R901-E982 VanDerWaalsContact CB-CD 3.42Å; R901-E982 HydrophobicContact CB-CG 4.19Å; R901-E982 WeakPolarHBondContact CB-OE1 3.47Å; R901-E982 WeakPolarHBondContact CB-OE2 3.48Å; R901-E982 WeakPolarHBondContact CG-OE1 3.39Å; I904-E982 HydrophobicContact CD1-CG 3.65Å; I904-E982 VanDerWaalsContact CD1-O 3.29Å; I904-E982 WeakPolarHBondContact CD1-O 3.2Å; I904-E982 WeakPolarHBondContact CD1-OE1 3.36Å; R978-E982 PolarHBondContact O-N 3.39Å; R978-E982 VanDerWaalsContact O-N 3.1Å; T980-E982 VanDerWaalsContact C-N 3.35Å; T980-E982 PolarHBondContact O-N 2.82Å; E982-Q984 VanDerWaalsContact C-N 3.33Å; E982-Q984 PolarHBondContact O-N 2.9Å; E982-R985 PolarHBondContact O-N 3.12Å; E982-R985 IonicContact OE1-NH1 2.78Å; E982-R985 PolarHBondContact OE1-NH1 3.27Å; E982-R985 IonicContact OE2-CZ 3.4Å; E982-R985 VanDerWaalsContact OE2-CZ 3.25Å; E982-R985 IonicContact OE2-NE 2.69Å; E982-R985 IonicContact OE2-NH1 2.96Å; E982-R985 PolarHBondContact OE2-NH1 3.13Å; E982-R985 IonicContact OE2-NH2 3.5Å; E982-S986 PolarHBondContact O-N 3.05Å |
| 983 | A | 83.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L926 W979 T980 R985 S986 L1012 V1015 V1018 | L926-A983 HydrophobicContact CD2-CB 3.75Å; W979-A983 VanDerWaalsContact O-CB 3.25Å; W979-A983 WeakPolarHBondContact O-CB 3.24Å; W979-A983 PolarHBondContact O-N 2.76Å; T980-A983 PolarHBondContact O-N 3.42Å; A983-R985 VanDerWaalsContact C-N 3.35Å; A983-R985 PolarHBondContact O-N 3.27Å; A983-S986 WeakPolarHBondContact O-CB 3.29Å; A983-S986 PolarHBondContact O-N 2.99Å; A983-S986 VanDerWaalsContact O-N 3.13Å; A983-S986 PolarHBondContact O-OG 3.19Å; A983-L1012 HydrophobicContact CB-CD1 3.87Å; A983-L1012 WeakPolarHBondContact O-CD1 3.43Å; A983-V1015 HydrophobicContact CB-CG1 4.26Å; A983-V1018 HydrophobicContact CB-CG2 4.15Å |
| 984 | Q | 82.9 | Confident | 82.4 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.6 | -41.5 | 175.3 | -74.2 | 175.8 | -2.5 | 0 | 0 | 112.3 | T980 D981 E982 S986 A987 G1017 V1018 V1021 | T980-Q984 WeakPolarHBondContact O-CG 3.21Å; T980-Q984 PolarHBondContact O-N 3.44Å; D981-Q984 PolarHBondContact O-N 3.45Å; E982-Q984 VanDerWaalsContact C-N 3.33Å; E982-Q984 PolarHBondContact O-N 2.9Å; Q984-S986 PolarHBondContact O-N 3.38Å; Q984-A987 VanDerWaalsContact O-CB 3.24Å; Q984-A987 WeakPolarHBondContact O-CB 3.37Å; Q984-A987 PolarHBondContact O-N 2.99Å; Q984-A987 VanDerWaalsContact O-N 3.12Å; Q984-G1017 PolarHBondContact NE2-O 3.25Å; Q984-G1017 VanDerWaalsContact NE2-O 3.12Å; Q984-V1018 HydrophobicContact CG-CB 4.37Å; Q984-V1018 HydrophobicContact CG-CG1 3.95Å; Q984-V1018 HydrophobicContact CG-CG2 4.02Å; Q984-V1021 HydrophobicContact CB-CG1 4.36Å; Q984-V1021 HydrophobicContact CG-CB 4.31Å; Q984-V1021 HydrophobicContact CG-CG1 4.31Å; Q984-V1021 HydrophobicContact CG-CG2 3.93Å |
| 985 | R | 82.9 | Confident | 83.3 | Confident | 114 Ų | 114 | 46.5 Ų | 46.5 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.3 | -30.8 | 176.2 | -70.1 | -176.1 | -150.6 | 148.7 | 14.6 | 113.4 | D981 E982 A983 A987 | D981-R985 WeakPolarHBondContact O-CG 3.34Å; D981-R985 PolarHBondContact O-N 3.37Å; D981-R985 VanDerWaalsContact O-N 3.13Å; E982-R985 PolarHBondContact O-N 3.12Å; E982-R985 IonicContact OE1-NH1 2.78Å; E982-R985 PolarHBondContact OE1-NH1 3.27Å; E982-R985 IonicContact OE2-CZ 3.4Å; E982-R985 VanDerWaalsContact OE2-CZ 3.25Å; E982-R985 IonicContact OE2-NE 2.69Å; E982-R985 IonicContact OE2-NH1 2.96Å; E982-R985 PolarHBondContact OE2-NH1 3.13Å; E982-R985 IonicContact OE2-NH2 3.5Å; A983-R985 VanDerWaalsContact C-N 3.35Å; A983-R985 PolarHBondContact O-N 3.27Å; R985-A987 PolarHBondContact O-N 3.46Å |
| 986 | S | 86.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.1 | -25.1 | 177.8 | 79.2 | 0 | 0 | 0 | 0 | 113.1 | E982 A983 Q984 A988 S989 L990 | E982-S986 PolarHBondContact O-N 3.05Å; A983-S986 WeakPolarHBondContact O-CB 3.29Å; A983-S986 PolarHBondContact O-N 2.99Å; A983-S986 VanDerWaalsContact O-N 3.13Å; A983-S986 PolarHBondContact O-OG 3.19Å; Q984-S986 PolarHBondContact O-N 3.38Å; S986-A988 PolarHBondContact O-N 3.27Å; S986-S989 PolarHBondContact O-N 3.13Å; S986-L990 WeakPolarHBondContact O-CB 3.4Å; S986-L990 WeakPolarHBondContact O-CG 3.43Å; S986-L990 PolarHBondContact O-N 3.23Å |
| 987 | A | 84.3 | Confident | 84.9 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -47.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q984 R985 T991 L1012 | Q984-A987 VanDerWaalsContact O-CB 3.24Å; Q984-A987 WeakPolarHBondContact O-CB 3.37Å; Q984-A987 PolarHBondContact O-N 2.99Å; Q984-A987 VanDerWaalsContact O-N 3.12Å; R985-A987 PolarHBondContact O-N 3.46Å; A987-T991 WeakPolarHBondContact O-CB 3.48Å; A987-T991 PolarHBondContact O-N 3.47Å; A987-T991 PolarHBondContact O-OG1 3.23Å; A987-L1012 HydrophobicContact CB-CD2 3.77Å |
| 988 | A | 83.7 | Confident | 85.6 | Confident | 76 Ų | 76 | 47.7 Ų | 47.7 | 63% | 0.628 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.9 | -45.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S986 T991 C992 | S986-A988 PolarHBondContact O-N 3.27Å; A988-T991 PolarHBondContact O-N 2.88Å; A988-C992 PolarHBondContact O-N 3.42Å |
| 989 | S | 87.3 | Confident | 86.1 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 178.1 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | N908 S986 C992 L993 | N908-S989 PolarHBondContact ND2-OG 3.49Å; S986-S989 PolarHBondContact O-N 3.13Å; S989-C992 PolarHBondContact O-N 3.3Å; S989-L993 WeakPolarHBondContact O-CG 3.27Å; S989-L993 PolarHBondContact O-N 3.27Å |
| 990 | L | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 174.7 | -70.2 | 171.5 | 0 | 0 | 0 | 111.1 | L907 L926 S986 C992 L993 L994 C1005 A1008 L1009 | L907-L990 HydrophobicContact CD1-CD2 3.94Å; L907-L990 HydrophobicContact CD1-CG 4.07Å; L907-L990 HydrophobicContact CD2-CD2 4.26Å; L926-L990 HydrophobicContact CD1-CD1 4.25Å; S986-L990 WeakPolarHBondContact O-CB 3.4Å; S986-L990 WeakPolarHBondContact O-CG 3.43Å; S986-L990 PolarHBondContact O-N 3.23Å; L990-C992 VanDerWaalsContact C-N 3.27Å; L990-C992 PolarHBondContact O-N 3.12Å; L990-L993 PolarHBondContact O-N 3.19Å; L990-L994 PolarHBondContact O-N 3.47Å; L990-C1005 VanDerWaalsContact C-SG 3.51Å; L990-C1005 PolarHBondContact O-SG 2.95Å; L990-A1008 HydrophobicContact CD1-CB 3.95Å; L990-A1008 HydrophobicContact CD2-CB 3.92Å; L990-L1009 HydrophobicContact CB-CD1 4.46Å; L990-L1009 HydrophobicContact CB-CD2 3.7Å; L990-L1009 HydrophobicContact CB-CG 3.93Å; L990-L1009 HydrophobicContact CD1-CD2 4.19Å; L990-L1009 HydrophobicContact CD1-CG 4.42Å |
| 991 | T | 87.4 | Confident | 87.1 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 14% | 0.135 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | A987 A988 L993 L994 A1026 | A987-T991 WeakPolarHBondContact O-CB 3.48Å; A987-T991 PolarHBondContact O-N 3.47Å; A987-T991 PolarHBondContact O-OG1 3.23Å; A988-T991 PolarHBondContact O-N 2.88Å; T991-L993 VanDerWaalsContact C-N 3.33Å; T991-L993 PolarHBondContact O-N 3.34Å; T991-L994 WeakPolarHBondContact O-CB 3.46Å; T991-L994 PolarHBondContact O-N 2.65Å; T991-A1026 HydrophobicContact CG2-CB 3.95Å; T991-A1026 WeakPolarHBondContact OG1-CB 3.43Å |
| 992 | C | 88.1 | Confident | 87.6 | Confident | 86 Ų | 86 | 43.6 Ų | 43.6 | 58% | 0.581 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60 | -41.3 | 174 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | A988 S989 L990 L994 S995 | A988-C992 PolarHBondContact O-N 3.42Å; S989-C992 PolarHBondContact O-N 3.3Å; L990-C992 VanDerWaalsContact C-N 3.27Å; L990-C992 PolarHBondContact O-N 3.12Å; C992-L994 PolarHBondContact O-N 2.95Å; C992-S995 PolarHBondContact O-N 3.37Å; C992-S995 VanDerWaalsContact O-N 3.12Å |
| 993 | L | 90.3 | Very high | 87.9 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.7 | -10.2 | -178.8 | -68.1 | 177.7 | 0 | 0 | 0 | 114.6 | L907 C919 S989 L990 T991 S995 D996 T1001 C1005 | L907-L993 HydrophobicContact CB-CD1 3.94Å; L907-L993 HydrophobicContact CD2-CD1 4.14Å; C919-L993 WeakPolarHBondContact SG-CD1 3.24Å; S989-L993 WeakPolarHBondContact O-CG 3.27Å; S989-L993 PolarHBondContact O-N 3.27Å; L990-L993 PolarHBondContact O-N 3.19Å; T991-L993 VanDerWaalsContact C-N 3.33Å; T991-L993 PolarHBondContact O-N 3.34Å; L993-S995 PolarHBondContact O-N 2.92Å; L993-D996 HydrophobicContact CD2-CB 4.25Å; L993-D996 VanDerWaalsContact O-CB 3.22Å; L993-D996 WeakPolarHBondContact O-CB 3.5Å; L993-D996 PolarHBondContact O-N 3.13Å; L993-T1001 HydrophobicContact CD1-CG2 4.42Å; L993-T1001 HydrophobicContact CD2-CG2 4.41Å; L993-C1005 HydrophobicContact CB-CB 4.41Å |
| 994 | L | 88.1 | Confident | 88.3 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.4 | 168.1 | -67.8 | 175.7 | 0 | 0 | 0 | 112.7 | L990 T991 C992 R1002 C1005 C1006 L1009 L1030 V1033 | L990-L994 PolarHBondContact O-N 3.47Å; T991-L994 WeakPolarHBondContact O-CB 3.46Å; T991-L994 PolarHBondContact O-N 2.65Å; C992-L994 PolarHBondContact O-N 2.95Å; L994-R1002 WeakPolarHBondContact O-CD 3.48Å; L994-C1005 HydrophobicContact CD2-CB 4.49Å; L994-C1006 VanDerWaalsContact CD2-SG 3.56Å; L994-L1009 HydrophobicContact CD1-CD1 3.77Å; L994-L1009 HydrophobicContact CD2-CD1 3.98Å; L994-L1009 HydrophobicContact CG-CD1 3.99Å; L994-L1030 HydrophobicContact CD1-CD2 3.91Å; L994-L1030 HydrophobicContact CD1-CG 3.92Å; L994-L1030 HydrophobicContact CD2-CD2 3.85Å; L994-V1033 HydrophobicContact CB-CG2 4.18Å |
| 995 | S | 88.4 | Confident | 88.7 | Confident | 103 Ų | 103 | 49 Ų | 49 | 72% | 0.72 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 9.2 | 174 | -57.6 | 0 | 0 | 0 | 0 | 113.3 | C992 L993 | C992-S995 PolarHBondContact O-N 3.37Å; C992-S995 VanDerWaalsContact O-N 3.12Å; L993-S995 PolarHBondContact O-N 2.92Å |
| 996 | D | 90.2 | Very high | 89 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | trans | -61.9 | 148.1 | -180 | -165.8 | -65.8 | 0 | 0 | 0 | 111.1 | R915 L993 D998 T1001 R1002 | R915-D996 IonicContact CZ-OD2 2.83Å; R915-D996 VanDerWaalsContact CZ-OD2 3.29Å; R915-D996 IonicContact NE-OD2 2.86Å; R915-D996 PolarHBondContact NE-OD2 3.08Å; R915-D996 IonicContact NH2-OD1 3.99Å; R915-D996 PolarHBondContact NH2-OD1 2.89Å; R915-D996 IonicContact NH2-OD2 2.71Å; R915-D996 PolarHBondContact NH2-OD2 3.49Å; L993-D996 HydrophobicContact CD2-CB 4.25Å; L993-D996 VanDerWaalsContact O-CB 3.22Å; L993-D996 WeakPolarHBondContact O-CB 3.5Å; L993-D996 PolarHBondContact O-N 3.13Å; D996-D998 VanDerWaalsContact C-N 3.29Å; D996-D998 PolarHBondContact O-N 3.24Å; D996-D998 PolarHBondContact OD1-N 2.92Å; D996-T1001 HydrophobicContact CB-CG2 4.19Å; D996-R1002 HydrophobicContact CB-CG 4.22Å; D996-R1002 VanDerWaalsContact O-CD 3.25Å; D996-R1002 WeakPolarHBondContact O-CD 3.43Å; D996-R1002 WeakPolarHBondContact O-CG 3.46Å; D996-R1002 PolarHBondContact O-NH1 3.35Å | ||
| 997 | R | 88.5 | Confident | 89.1 | Confident | 250 Ų | 250 | 45.9 Ų | 45.9 | 94% | 0.943 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -66.2 | -30 | 178.5 | -63.1 | -176.7 | -180 | -179 | 0.5 | 112.2 | R1002 | R997-R1002 PolarHBondContact O-NH1 3.29Å; R997-R1002 VanDerWaalsContact O-NH1 3.14Å |
| 998 | D | 90.8 | Very high | 89.3 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | trans | -83.9 | 121.4 | -179.2 | -174.1 | 65.2 | 0 | 0 | 0 | 113.1 | T912 R916 D996 V1000 T1001 R1002 | T912-D998 HydrophobicContact CG2-CB 3.55Å; R916-D998 IonicContact CZ-OD1 3.77Å; R916-D998 IonicContact CZ-OD2 3.47Å; R916-D998 IonicContact NE-OD2 2.78Å; R916-D998 PolarHBondContact NE-OD2 3.19Å; R916-D998 VanDerWaalsContact NE-OD2 3.09Å; R916-D998 IonicContact NH2-OD1 3.72Å; R916-D998 PolarHBondContact NH2-OD1 3.45Å; R916-D998 IonicContact NH2-OD2 2.95Å; R916-D998 PolarHBondContact NH2-OD2 3.38Å; D996-D998 VanDerWaalsContact C-N 3.29Å; D996-D998 PolarHBondContact O-N 3.24Å; D996-D998 PolarHBondContact OD1-N 2.92Å; D998-V1000 VanDerWaalsContact C-N 3.32Å; D998-V1000 PolarHBondContact O-N 3.14Å; D998-V1000 WeakPolarHBondContact OD2-CB 3.39Å; D998-V1000 PolarHBondContact OD2-N 3.36Å; D998-T1001 PolarHBondContact O-N 3.09Å; D998-T1001 PolarHBondContact OD2-N 2.92Å; D998-T1001 PolarHBondContact OD2-OG1 2.92Å; D998-R1002 WeakPolarHBondContact O-CG 3.37Å; D998-R1002 PolarHBondContact O-N 3.14Å; D998-R1002 VanDerWaalsContact O-N 3.11Å | ||
| 999 | A | 89.1 | Confident | 89.5 | Confident | 23 Ų | 23 | 42 Ų | 42 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -32.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1002 R1003 N1039 V1042 | A999-R1002 PolarHBondContact O-N 3.1Å; A999-R1003 WeakPolarHBondContact O-CB 3.4Å; A999-R1003 PolarHBondContact O-N 2.65Å; A999-N1039 HydrophobicContact CB-CB 4.15Å; A999-V1042 HydrophobicContact CB-CG2 4.15Å; A999-V1042 WeakPolarHBondContact O-CG2 3.23Å |
| 1000 | V | 89.9 | Confident | 89.4 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -74.8 | -37.8 | -179.2 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | R916 D998 R1003 H1004 | R916-V1000 HydrophobicContact CG-CB 4.42Å; R916-V1000 HydrophobicContact CG-CG1 3.9Å; R916-V1000 VanDerWaalsContact NH2-CG2 3.31Å; D998-V1000 VanDerWaalsContact C-N 3.32Å; D998-V1000 PolarHBondContact O-N 3.14Å; D998-V1000 WeakPolarHBondContact OD2-CB 3.39Å; D998-V1000 PolarHBondContact OD2-N 3.36Å; V1000-R1003 PolarHBondContact O-N 3.04Å; V1000-H1004 PolarHBondContact O-CD2 2.83Å; V1000-H1004 PolarHBondContact O-N 3.14Å |
| 1001 | T | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.3 | -49.9 | 169.8 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | R915 L993 D996 D998 R1003 H1004 C1005 | R915-T1001 HydrophobicContact CB-CG2 4.33Å; L993-T1001 HydrophobicContact CD1-CG2 4.42Å; L993-T1001 HydrophobicContact CD2-CG2 4.41Å; D996-T1001 HydrophobicContact CB-CG2 4.19Å; D998-T1001 PolarHBondContact O-N 3.09Å; D998-T1001 PolarHBondContact OD2-N 2.92Å; D998-T1001 PolarHBondContact OD2-OG1 2.92Å; T1001-R1003 VanDerWaalsContact C-N 3.33Å; T1001-R1003 PolarHBondContact O-N 3.35Å; T1001-H1004 PolarHBondContact O-N 3.23Å; T1001-C1005 VanDerWaalsContact O-CB 3.24Å; T1001-C1005 WeakPolarHBondContact O-CB 3.49Å; T1001-C1005 PolarHBondContact O-N 3.34Å |
| 1002 | R | 93.1 | Very high | 89.1 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -44 | 175.9 | -65.1 | -161.7 | -58.1 | -81.3 | 5.3 | 112.2 | L994 D996 R997 D998 A999 C1005 C1006 D1037 V1042 | L994-R1002 WeakPolarHBondContact O-CD 3.48Å; D996-R1002 HydrophobicContact CB-CG 4.22Å; D996-R1002 VanDerWaalsContact O-CD 3.25Å; D996-R1002 WeakPolarHBondContact O-CD 3.43Å; D996-R1002 WeakPolarHBondContact O-CG 3.46Å; D996-R1002 PolarHBondContact O-NH1 3.35Å; R997-R1002 PolarHBondContact O-NH1 3.29Å; R997-R1002 VanDerWaalsContact O-NH1 3.14Å; D998-R1002 WeakPolarHBondContact O-CG 3.37Å; D998-R1002 PolarHBondContact O-N 3.14Å; D998-R1002 VanDerWaalsContact O-N 3.11Å; A999-R1002 PolarHBondContact O-N 3.1Å; R1002-C1005 WeakPolarHBondContact O-CB 3.33Å; R1002-C1005 PolarHBondContact O-N 3.15Å; R1002-C1006 PolarHBondContact O-N 3.31Å; R1002-C1006 PolarHBondContact O-SG 2.76Å; R1002-D1037 IonicContact CZ-OD1 3.89Å; R1002-D1037 IonicContact CZ-OD2 3.7Å; R1002-D1037 IonicContact NE-OD1 3.03Å; R1002-D1037 IonicContact NE-OD2 2.69Å; R1002-D1037 PolarHBondContact NE-OD2 3.26Å; R1002-D1037 IonicContact NH2-OD1 3.59Å; R1002-D1037 PolarHBondContact NH2-OD1 3.45Å; R1002-D1037 IonicContact NH2-OD2 2.79Å; R1002-D1037 PolarHBondContact NH2-OD2 3.29Å; R1002-V1042 HydrophobicContact CB-CG1 3.84Å; R1002-V1042 HydrophobicContact CB-CG2 4.32Å |
| 1003 | R | 91.4 | Very high | 88.7 | Confident | 132 Ų | 132 | 38.4 Ų | 38.4 | 50% | 0.498 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.1 | -49.5 | 177.4 | -174.2 | -179.8 | 179.7 | -171.4 | 0.3 | 112.5 | A999 V1000 T1001 C1005 C1006 A1007 V1042 A1045 | A999-R1003 WeakPolarHBondContact O-CB 3.4Å; A999-R1003 PolarHBondContact O-N 2.65Å; V1000-R1003 PolarHBondContact O-N 3.04Å; T1001-R1003 VanDerWaalsContact C-N 3.33Å; T1001-R1003 PolarHBondContact O-N 3.35Å; R1003-C1005 VanDerWaalsContact C-N 3.28Å; R1003-C1005 PolarHBondContact O-N 3.2Å; R1003-C1006 PolarHBondContact O-N 3.49Å; R1003-A1007 PolarHBondContact O-N 3.34Å; R1003-V1042 HydrophobicContact CB-CG2 4.07Å; R1003-A1045 HydrophobicContact CG-CB 3.91Å |
| 1004 | H | 91.4 | Very high | 88 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 24% | 0.236 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -35.4 | 178 | -73 | -43.4 | 0 | 0 | 0 | 111.8 | C919 V1000 T1001 A1007 A1008 | C919-H1004 HydrophobicContact CB-CB 3.75Å; V1000-H1004 PolarHBondContact O-CD2 2.83Å; V1000-H1004 PolarHBondContact O-N 3.14Å; T1001-H1004 PolarHBondContact O-N 3.23Å; H1004-A1007 PolarHBondContact O-N 3.36Å; H1004-A1008 WeakPolarHBondContact O-CB 3.36Å; H1004-A1008 PolarHBondContact O-N 2.94Å |
| 1005 | C | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 174.8 | -175 | 0 | 0 | 0 | 0 | 112.4 | L990 L993 L994 T1001 R1002 R1003 A1007 A1008 L1009 | L990-C1005 VanDerWaalsContact C-SG 3.51Å; L990-C1005 PolarHBondContact O-SG 2.95Å; L993-C1005 HydrophobicContact CB-CB 4.41Å; L994-C1005 HydrophobicContact CD2-CB 4.49Å; T1001-C1005 VanDerWaalsContact O-CB 3.24Å; T1001-C1005 WeakPolarHBondContact O-CB 3.49Å; T1001-C1005 PolarHBondContact O-N 3.34Å; R1002-C1005 WeakPolarHBondContact O-CB 3.33Å; R1002-C1005 PolarHBondContact O-N 3.15Å; R1003-C1005 VanDerWaalsContact C-N 3.28Å; R1003-C1005 PolarHBondContact O-N 3.2Å; C1005-A1007 VanDerWaalsContact C-N 3.29Å; C1005-A1007 PolarHBondContact O-N 3.41Å; C1005-A1008 PolarHBondContact O-N 3.22Å; C1005-L1009 WeakPolarHBondContact O-CG 3.16Å; C1005-L1009 PolarHBondContact O-N 2.9Å |
| 1006 | C | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | L994 R1002 R1003 L1009 G1010 L1030 A1045 A1046 A1049 | L994-C1006 VanDerWaalsContact CD2-SG 3.56Å; R1002-C1006 PolarHBondContact O-N 3.31Å; R1002-C1006 PolarHBondContact O-SG 2.76Å; R1003-C1006 PolarHBondContact O-N 3.49Å; C1006-L1009 PolarHBondContact O-N 2.84Å; C1006-G1010 PolarHBondContact O-N 3.24Å; C1006-L1030 HydrophobicContact CB-CD2 4.47Å; C1006-A1045 HydrophobicContact CB-CB 3.82Å; C1006-A1046 HydrophobicContact CB-CB 4.48Å; C1006-A1049 VanDerWaalsContact O-CB 3.29Å; C1006-A1049 WeakPolarHBondContact O-CB 3.18Å |
| 1007 | A | 87.8 | Confident | 85 | Confident | 49 Ų | 49 | 38.6 Ų | 38.6 | 41% | 0.405 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1003 H1004 C1005 G1010 N1011 | R1003-A1007 PolarHBondContact O-N 3.34Å; H1004-A1007 PolarHBondContact O-N 3.36Å; C1005-A1007 VanDerWaalsContact C-N 3.29Å; C1005-A1007 PolarHBondContact O-N 3.41Å; A1007-G1010 PolarHBondContact O-N 3.28Å; A1007-N1011 PolarHBondContact O-N 2.76Å |
| 1008 | A | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L990 H1004 C1005 G1010 N1011 L1012 | L990-A1008 HydrophobicContact CD1-CB 3.95Å; L990-A1008 HydrophobicContact CD2-CB 3.92Å; H1004-A1008 WeakPolarHBondContact O-CB 3.36Å; H1004-A1008 PolarHBondContact O-N 2.94Å; C1005-A1008 PolarHBondContact O-N 3.22Å; A1008-G1010 VanDerWaalsContact C-N 3.32Å; A1008-G1010 PolarHBondContact O-N 3.05Å; A1008-N1011 PolarHBondContact O-N 3.06Å; A1008-L1012 PolarHBondContact O-N 2.94Å |
| 1009 | L | 87.9 | Confident | 82 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 173.6 | -73.3 | 168.5 | 0 | 0 | 0 | 111.7 | L990 L994 C1005 C1006 N1011 L1012 V1013 L1022 L1030 | L990-L1009 HydrophobicContact CB-CD1 4.46Å; L990-L1009 HydrophobicContact CB-CD2 3.7Å; L990-L1009 HydrophobicContact CB-CG 3.93Å; L990-L1009 HydrophobicContact CD1-CD2 4.19Å; L990-L1009 HydrophobicContact CD1-CG 4.42Å; L994-L1009 HydrophobicContact CD1-CD1 3.77Å; L994-L1009 HydrophobicContact CD2-CD1 3.98Å; L994-L1009 HydrophobicContact CG-CD1 3.99Å; C1005-L1009 WeakPolarHBondContact O-CG 3.16Å; C1005-L1009 PolarHBondContact O-N 2.9Å; C1006-L1009 PolarHBondContact O-N 2.84Å; L1009-N1011 VanDerWaalsContact C-N 3.33Å; L1009-N1011 PolarHBondContact O-N 2.62Å; L1009-L1012 HydrophobicContact CD2-CD2 4.33Å; L1009-L1012 WeakPolarHBondContact O-CB 3.49Å; L1009-L1012 PolarHBondContact O-N 3.42Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.48Å; L1009-V1013 PolarHBondContact O-N 3.26Å; L1009-L1022 HydrophobicContact CD2-CD2 4.02Å; L1009-L1030 HydrophobicContact CD1-CD1 4.34Å; L1009-L1030 HydrophobicContact CD1-CD2 4Å; L1009-L1030 HydrophobicContact CD1-CG 4.28Å |
| 1010 | G | 85.3 | Confident | 80.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1006 A1007 A1008 N1014 | C1006-G1010 PolarHBondContact O-N 3.24Å; A1007-G1010 PolarHBondContact O-N 3.28Å; A1008-G1010 VanDerWaalsContact C-N 3.32Å; A1008-G1010 PolarHBondContact O-N 3.05Å; G1010-N1014 PolarHBondContact O-ND2 3.31Å |
| 1011 | N | 86.1 | Confident | 78.8 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.8 | -37.2 | 174.3 | -71.4 | -12.1 | 0 | 0 | 0 | 111.9 | G923 L926 A1007 A1008 L1009 V1013 N1014 | G923-N1011 PolarHBondContact O-ND2 2.82Å; L926-N1011 HydrophobicContact CB-CB 4.06Å; A1007-N1011 PolarHBondContact O-N 2.76Å; A1008-N1011 PolarHBondContact O-N 3.06Å; L1009-N1011 VanDerWaalsContact C-N 3.33Å; L1009-N1011 PolarHBondContact O-N 2.62Å; N1011-V1013 VanDerWaalsContact C-N 3.29Å; N1011-V1013 PolarHBondContact O-N 3.47Å; N1011-N1014 WeakPolarHBondContact O-CB 3.19Å; N1011-N1014 PolarHBondContact O-N 3.47Å; N1011-N1014 VanDerWaalsContact O-N 3.09Å |
| 1012 | L | 84.6 | Confident | 77.4 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.5 | -38.7 | 179.5 | -171.5 | 62.9 | 0 | 0 | 0 | 112.9 | L926 A983 A987 A1008 L1009 N1014 V1015 V1018 L1022 | L926-L1012 HydrophobicContact CD1-CB 4.11Å; L926-L1012 HydrophobicContact CD1-CD1 3.96Å; L926-L1012 HydrophobicContact CD2-CD1 3.55Å; L926-L1012 HydrophobicContact CG-CD1 4.37Å; A983-L1012 HydrophobicContact CB-CD1 3.87Å; A983-L1012 WeakPolarHBondContact O-CD1 3.43Å; A987-L1012 HydrophobicContact CB-CD2 3.77Å; A1008-L1012 PolarHBondContact O-N 2.94Å; L1009-L1012 HydrophobicContact CD2-CD2 4.33Å; L1009-L1012 WeakPolarHBondContact O-CB 3.49Å; L1009-L1012 PolarHBondContact O-N 3.42Å; L1012-N1014 PolarHBondContact O-N 3.13Å; L1012-V1015 WeakPolarHBondContact O-CB 3.33Å; L1012-V1015 PolarHBondContact O-N 3.44Å; L1012-V1018 HydrophobicContact CD1-CG1 3.74Å; L1012-V1018 HydrophobicContact CD2-CG1 4.32Å; L1012-V1018 HydrophobicContact CG-CG1 3.81Å; L1012-L1022 HydrophobicContact CD2-CD2 4.3Å |
| 1013 | V | 78.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -32.2 | 176.7 | 173 | 0 | 0 | 0 | 0 | 112.2 | L1009 N1011 V1015 V1019 L1022 C1053 Q1056 | L1009-V1013 WeakPolarHBondContact O-CG2 3.48Å; L1009-V1013 PolarHBondContact O-N 3.26Å; N1011-V1013 VanDerWaalsContact C-N 3.29Å; N1011-V1013 PolarHBondContact O-N 3.47Å; V1013-V1015 PolarHBondContact O-N 3.47Å; V1013-V1019 WeakPolarHBondContact O-CG2 3.38Å; V1013-L1022 HydrophobicContact CG2-CD1 3.48Å; V1013-L1022 VanDerWaalsContact CG2-CD1 3.48Å; V1013-C1053 HydrophobicContact CG2-CB 4.38Å; V1013-C1053 WeakPolarHBondContact CG2-SG 3.38Å; V1013-Q1056 HydrophobicContact CG1-CB 3.64Å; V1013-Q1056 HydrophobicContact CG1-CG 3.85Å; V1013-Q1056 PolarHBondContact O-NE2 2.92Å; V1013-Q1056 VanDerWaalsContact O-NE2 3.11Å |
| 1014 | N | 75.6 | Confident | 74.7 | Confident | 20 Ų | 20 | 36 Ų | 36 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 0.7 | -177.7 | -71 | -76.4 | 0 | 0 | 0 | 113.3 | A930 K934 G1010 N1011 L1012 | A930-N1014 HydrophobicContact CB-CB 3.61Å; A930-N1014 WeakPolarHBondContact CB-O 3.12Å; K934-N1014 PolarHBondContact NZ-OD1 3.24Å; G1010-N1014 PolarHBondContact O-ND2 3.31Å; N1011-N1014 WeakPolarHBondContact O-CB 3.19Å; N1011-N1014 PolarHBondContact O-N 3.47Å; N1011-N1014 VanDerWaalsContact O-N 3.09Å; L1012-N1014 PolarHBondContact O-N 3.13Å |
| 1015 | V | 76.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -88.8 | 115.5 | 175.9 | -175 | 0 | 0 | 0 | 0 | 109.1 | L926 V929 A930 F933 A983 L1012 V1013 G1017 V1018 | L926-V1015 HydrophobicContact CD2-CG2 4.4Å; V929-V1015 HydrophobicContact CG1-CG1 4Å; V929-V1015 HydrophobicContact CG1-CG2 4.39Å; A930-V1015 HydrophobicContact CB-CG2 4.02Å; F933-V1015 HydrophobicContact CD2-CG1 3.84Å; F933-V1015 HydrophobicContact CE2-CG1 3.59Å; A983-V1015 HydrophobicContact CB-CG1 4.26Å; L1012-V1015 WeakPolarHBondContact O-CB 3.33Å; L1012-V1015 PolarHBondContact O-N 3.44Å; V1013-V1015 PolarHBondContact O-N 3.47Å; V1015-G1017 PolarHBondContact O-N 3.39Å; V1015-V1018 HydrophobicContact CB-CB 4.28Å; V1015-V1018 HydrophobicContact CB-CG2 3.88Å; V1015-V1018 HydrophobicContact CG1-CG2 3.61Å; V1015-V1018 WeakPolarHBondContact O-CB 3.49Å; V1015-V1018 PolarHBondContact O-N 2.94Å |
| 1016 | D | 64.6 | Low | 72.8 | Confident | 72 Ų | 72 | 40.3 Ų | 40.3 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132.6 | -179.2 | -74 | -27.8 | 0 | 0 | 0 | 112.2 | F933 | F933-D1016 HydrophobicContact CD2-CB 4.33Š|
| 1017 | G | 62.4 | Low | 72.3 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 0.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q984 V1015 | Q984-G1017 PolarHBondContact NE2-O 3.25Å; Q984-G1017 VanDerWaalsContact NE2-O 3.12Å; V1015-G1017 PolarHBondContact O-N 3.39Å |
| 1018 | V | 60.5 | Low | 72 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -19.5 | 179.6 | -172.3 | 0 | 0 | 0 | 0 | 112.8 | T980 A983 Q984 L1012 V1015 S1020 V1021 | T980-V1018 HydrophobicContact CG2-CG2 3.86Å; A983-V1018 HydrophobicContact CB-CG2 4.15Å; Q984-V1018 HydrophobicContact CG-CB 4.37Å; Q984-V1018 HydrophobicContact CG-CG1 3.95Å; Q984-V1018 HydrophobicContact CG-CG2 4.02Å; L1012-V1018 HydrophobicContact CD1-CG1 3.74Å; L1012-V1018 HydrophobicContact CD2-CG1 4.32Å; L1012-V1018 HydrophobicContact CG-CG1 3.81Å; V1015-V1018 HydrophobicContact CB-CB 4.28Å; V1015-V1018 HydrophobicContact CB-CG2 3.88Å; V1015-V1018 HydrophobicContact CG1-CG2 3.61Å; V1015-V1018 WeakPolarHBondContact O-CB 3.49Å; V1015-V1018 PolarHBondContact O-N 2.94Å; V1018-S1020 PolarHBondContact O-N 3.17Å; V1018-S1020 VanDerWaalsContact O-N 3.17Å; V1018-V1021 WeakPolarHBondContact O-CB 3.48Å; V1018-V1021 PolarHBondContact O-N 2.91Å |
| 1019 | V | 57 | Low | 71.8 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -56.2 | -34 | 179.8 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | V1013 V1021 Q1056 | V1013-V1019 WeakPolarHBondContact O-CG2 3.38Å; V1019-V1021 PolarHBondContact O-N 3.32Å; V1019-Q1056 HydrophobicContact CG1-CG 4.45Å; V1019-Q1056 HydrophobicContact CG2-CG 3.76Å |
| 1020 | S | 55.6 | Low | 71.7 | Confident | 105 Ų | 105 | 44.2 Ų | 44.2 | 73% | 0.734 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -73.6 | -3.4 | 177.8 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | V1018 | V1018-S1020 PolarHBondContact O-N 3.17Å; V1018-S1020 VanDerWaalsContact O-N 3.17Å |
| 1021 | V | 54.4 | Low | 71.7 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -110.9 | -9.5 | -175.2 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | Q984 V1018 V1019 D1023 | Q984-V1021 HydrophobicContact CB-CG1 4.36Å; Q984-V1021 HydrophobicContact CG-CB 4.31Å; Q984-V1021 HydrophobicContact CG-CG1 4.31Å; Q984-V1021 HydrophobicContact CG-CG2 3.93Å; V1018-V1021 WeakPolarHBondContact O-CB 3.48Å; V1018-V1021 PolarHBondContact O-N 2.91Å; V1019-V1021 PolarHBondContact O-N 3.32Å; V1021-D1023 VanDerWaalsContact C-N 3.29Å; V1021-D1023 PolarHBondContact O-N 2.92Å |
| 1022 | L | 61.9 | Low | 71.8 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -73 | 90.9 | 165.9 | -73.9 | 170.2 | 0 | 0 | 0 | 108.1 | L1009 L1012 V1013 A1026 Y1027 | L1009-L1022 HydrophobicContact CD2-CD2 4.02Å; L1012-L1022 HydrophobicContact CD2-CD2 4.3Å; V1013-L1022 HydrophobicContact CG2-CD1 3.48Å; V1013-L1022 VanDerWaalsContact CG2-CD1 3.48Å; L1022-A1026 HydrophobicContact CD2-CB 4Å; L1022-Y1027 HydrophobicContact CB-CD2 4.27Å; L1022-Y1027 HydrophobicContact CB-CE2 3.71Å |
| 1023 | D | 62.6 | Low | 72 | Confident | 111 Ų | 111 | 54 Ų | 54 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | trans | -53.1 | 152.6 | 176.2 | -72.8 | -31.4 | 0 | 0 | 0 | 110.9 | V1021 E1025 A1026 Y1027 | V1021-D1023 VanDerWaalsContact C-N 3.29Å; V1021-D1023 PolarHBondContact O-N 2.92Å; D1023-E1025 HydrophobicContact CB-CB 4.39Å; D1023-E1025 PolarHBondContact O-N 2.83Å; D1023-A1026 WeakPolarHBondContact O-CB 3.49Å; D1023-A1026 PolarHBondContact O-N 3.4Å; D1023-Y1027 PolarHBondContact O-N 3.03Å | ||
| 1024 | E | 64.9 | Low | 72.5 | Confident | 166 Ų | 166 | 54.4 Ų | 54.4 | 78% | 0.776 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -46 | -28.6 | 171 | -79.4 | -75 | 169.7 | 0 | 0 | 112.5 | S1028 | E1024-S1028 WeakPolarHBondContact O-CB 3.41Å; E1024-S1028 PolarHBondContact O-N 3.17Å |
| 1025 | E | 68.5 | Low | 73 | Confident | 140 Ų | 140 | 57.1 Ų | 57.1 | 65% | 0.654 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.1 | -38.6 | 175.2 | -170.4 | 168.2 | -165.7 | 0 | 0 | 113.8 | D1023 S1029 | D1023-E1025 HydrophobicContact CB-CB 4.39Å; D1023-E1025 PolarHBondContact O-N 2.83Å; E1025-S1029 WeakPolarHBondContact O-CB 3.44Å; E1025-S1029 PolarHBondContact O-N 3.11Å; E1025-S1029 PolarHBondContact O-OG 3.24Å |
| 1026 | A | 74.8 | Confident | 73.6 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T991 L1022 D1023 S1029 L1030 | T991-A1026 HydrophobicContact CG2-CB 3.95Å; T991-A1026 WeakPolarHBondContact OG1-CB 3.43Å; L1022-A1026 HydrophobicContact CD2-CB 4Å; D1023-A1026 WeakPolarHBondContact O-CB 3.49Å; D1023-A1026 PolarHBondContact O-N 3.4Å; A1026-S1029 PolarHBondContact O-N 3.39Å; A1026-L1030 WeakPolarHBondContact O-CB 3.42Å; A1026-L1030 WeakPolarHBondContact O-CG 3.33Å; A1026-L1030 PolarHBondContact O-N 2.8Å |
| 1027 | Y | 79.9 | Confident | 74.8 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 21% | 0.208 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 174.4 | -81.5 | -82.4 | 0 | 0 | 0 | 112.4 | L1022 D1023 S1029 L1030 L1031 L1050 C1053 | L1022-Y1027 HydrophobicContact CB-CD2 4.27Å; L1022-Y1027 HydrophobicContact CB-CE2 3.71Å; D1023-Y1027 PolarHBondContact O-N 3.03Å; Y1027-S1029 VanDerWaalsContact C-N 3.29Å; Y1027-S1029 PolarHBondContact O-N 2.8Å; Y1027-L1030 PolarHBondContact O-N 3.03Å; Y1027-L1031 WeakPolarHBondContact O-CB 3.48Å; Y1027-L1031 PolarHBondContact O-N 3.44Å; Y1027-L1050 HydrophobicContact CD1-CD2 4.41Å; Y1027-C1053 HydrophobicContact CD1-CB 4.48Å; Y1027-C1053 HydrophobicContact CE1-CB 3.41Å; Y1027-C1053 VanDerWaalsContact CE1-CB 3.41Å |
| 1028 | S | 81.5 | Confident | 76 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | E1024 L1031 R1032 | E1024-S1028 WeakPolarHBondContact O-CB 3.41Å; E1024-S1028 PolarHBondContact O-N 3.17Å; S1028-L1031 PolarHBondContact O-N 2.94Å; S1028-R1032 WeakPolarHBondContact O-CB 3.45Å; S1028-R1032 PolarHBondContact O-N 3.39Å |
| 1029 | S | 84.2 | Confident | 77.5 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 176.9 | -63 | 0 | 0 | 0 | 0 | 112.3 | E1025 A1026 Y1027 L1031 R1032 V1033 | E1025-S1029 WeakPolarHBondContact O-CB 3.44Å; E1025-S1029 PolarHBondContact O-N 3.11Å; E1025-S1029 PolarHBondContact O-OG 3.24Å; A1026-S1029 PolarHBondContact O-N 3.39Å; Y1027-S1029 VanDerWaalsContact C-N 3.29Å; Y1027-S1029 PolarHBondContact O-N 2.8Å; S1029-L1031 PolarHBondContact O-N 2.67Å; S1029-R1032 WeakPolarHBondContact O-CB 3.46Å; S1029-R1032 PolarHBondContact O-N 2.98Å; S1029-V1033 WeakPolarHBondContact O-CG2 3.39Å; S1029-V1033 PolarHBondContact O-N 3.24Å |
| 1030 | L | 85.8 | Confident | 78.9 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 174.3 | -78.7 | 172.1 | 0 | 0 | 0 | 112.2 | L994 C1006 L1009 A1026 Y1027 V1033 A1034 A1049 L1050 | L994-L1030 HydrophobicContact CD1-CD2 3.91Å; L994-L1030 HydrophobicContact CD1-CG 3.92Å; L994-L1030 HydrophobicContact CD2-CD2 3.85Å; C1006-L1030 HydrophobicContact CB-CD2 4.47Å; L1009-L1030 HydrophobicContact CD1-CD1 4.34Å; L1009-L1030 HydrophobicContact CD1-CD2 4Å; L1009-L1030 HydrophobicContact CD1-CG 4.28Å; A1026-L1030 WeakPolarHBondContact O-CB 3.42Å; A1026-L1030 WeakPolarHBondContact O-CG 3.33Å; A1026-L1030 PolarHBondContact O-N 2.8Å; Y1027-L1030 PolarHBondContact O-N 3.03Å; L1030-V1033 PolarHBondContact O-N 2.78Å; L1030-A1034 WeakPolarHBondContact O-CB 3.25Å; L1030-A1034 PolarHBondContact O-N 3.02Å; L1030-A1049 HydrophobicContact CD2-CB 4.48Å; L1030-L1050 HydrophobicContact CB-CD1 4.5Å; L1030-L1050 HydrophobicContact CB-CD2 3.87Å; L1030-L1050 HydrophobicContact CB-CG 4.12Å |
| 1031 | L | 86.1 | Confident | 80.4 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.2 | -166.1 | 84.6 | 0 | 0 | 0 | 110.9 | Y1027 S1028 S1029 V1033 A1034 C1035 L1050 | Y1027-L1031 WeakPolarHBondContact O-CB 3.48Å; Y1027-L1031 PolarHBondContact O-N 3.44Å; S1028-L1031 PolarHBondContact O-N 2.94Å; S1029-L1031 PolarHBondContact O-N 2.67Å; L1031-V1033 VanDerWaalsContact C-N 3.34Å; L1031-V1033 PolarHBondContact O-N 3.42Å; L1031-A1034 PolarHBondContact O-N 3.12Å; L1031-C1035 WeakPolarHBondContact O-CB 3.15Å; L1031-C1035 PolarHBondContact O-N 3.28Å; L1031-C1035 PolarHBondContact O-SG 3.45Å; L1031-C1035 VanDerWaalsContact O-SG 3.35Å; L1031-L1050 HydrophobicContact CD1-CD1 4.3Å |
| 1032 | R | 87.5 | Confident | 82.1 | Confident | 146 Ų | 146 | 64.4 Ų | 64.4 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.3 | -43.3 | 176.7 | -170.6 | -177.9 | -62.8 | 150.8 | 3.9 | 111.5 | S1028 S1029 C1035 N1036 | S1028-R1032 WeakPolarHBondContact O-CB 3.45Å; S1028-R1032 PolarHBondContact O-N 3.39Å; S1029-R1032 WeakPolarHBondContact O-CB 3.46Å; S1029-R1032 PolarHBondContact O-N 2.98Å; R1032-C1035 PolarHBondContact O-N 2.93Å; R1032-N1036 VanDerWaalsContact O-CB 3.29Å; R1032-N1036 WeakPolarHBondContact O-CB 3.36Å; R1032-N1036 PolarHBondContact O-N 3.19Å |
| 1033 | V | 89.4 | Confident | 83.4 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 9% | 0.085 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -44.8 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | L994 S1029 L1030 L1031 C1035 D1037 V1042 A1046 | L994-V1033 HydrophobicContact CB-CG2 4.18Å; S1029-V1033 WeakPolarHBondContact O-CG2 3.39Å; S1029-V1033 PolarHBondContact O-N 3.24Å; L1030-V1033 PolarHBondContact O-N 2.78Å; L1031-V1033 VanDerWaalsContact C-N 3.34Å; L1031-V1033 PolarHBondContact O-N 3.42Å; V1033-C1035 VanDerWaalsContact C-N 3.31Å; V1033-C1035 PolarHBondContact O-N 3.18Å; V1033-D1037 HydrophobicContact CG1-CB 4.02Å; V1033-D1037 WeakPolarHBondContact O-CB 3.32Å; V1033-D1037 PolarHBondContact O-N 3.5Å; V1033-V1042 HydrophobicContact CG1-CG1 3.55Å; V1033-A1046 HydrophobicContact CB-CB 4.32Å; V1033-A1046 HydrophobicContact CG1-CB 3.87Å |
| 1034 | A | 88.3 | Confident | 84.7 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -39.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1030 L1031 R1043 A1046 I1047 L1050 | L1030-A1034 WeakPolarHBondContact O-CB 3.25Å; L1030-A1034 PolarHBondContact O-N 3.02Å; L1031-A1034 PolarHBondContact O-N 3.12Å; A1034-R1043 PolarHBondContact O-NE 3.26Å; A1034-A1046 HydrophobicContact CB-CB 3.95Å; A1034-I1047 HydrophobicContact CB-CG1 3.89Å; A1034-L1050 HydrophobicContact CB-CD1 3.97Å |
| 1035 | C | 86.8 | Confident | 85.9 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 51% | 0.514 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -80 | -42.1 | -179.5 | -67.8 | 0 | 0 | 0 | 0 | 113.3 | L1031 R1032 V1033 | L1031-C1035 WeakPolarHBondContact O-CB 3.15Å; L1031-C1035 PolarHBondContact O-N 3.28Å; L1031-C1035 PolarHBondContact O-SG 3.45Å; L1031-C1035 VanDerWaalsContact O-SG 3.35Å; R1032-C1035 PolarHBondContact O-N 2.93Å; V1033-C1035 VanDerWaalsContact C-N 3.31Å; V1033-C1035 PolarHBondContact O-N 3.18Å |
| 1036 | N | 87.8 | Confident | 86.8 | Confident | 127 Ų | 127 | 54.5 Ų | 54.5 | 68% | 0.679 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -121.4 | -4.1 | -160.1 | -58 | -32.8 | 0 | 0 | 0 | 115.1 | R1032 S1038 | R1032-N1036 VanDerWaalsContact O-CB 3.29Å; R1032-N1036 WeakPolarHBondContact O-CB 3.36Å; R1032-N1036 PolarHBondContact O-N 3.19Å; N1036-S1038 PolarHBondContact O-N 3.03Å |
| 1037 | D | 90.6 | Very high | 87.5 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | trans | -68.1 | 134 | -179.7 | -162 | -59 | 0 | 0 | 0 | 111.8 | R1002 V1033 N1039 V1042 R1043 | R1002-D1037 IonicContact CZ-OD1 3.89Å; R1002-D1037 IonicContact CZ-OD2 3.7Å; R1002-D1037 IonicContact NE-OD1 3.03Å; R1002-D1037 IonicContact NE-OD2 2.69Å; R1002-D1037 PolarHBondContact NE-OD2 3.26Å; R1002-D1037 IonicContact NH2-OD1 3.59Å; R1002-D1037 PolarHBondContact NH2-OD1 3.45Å; R1002-D1037 IonicContact NH2-OD2 2.79Å; R1002-D1037 PolarHBondContact NH2-OD2 3.29Å; V1033-D1037 HydrophobicContact CG1-CB 4.02Å; V1033-D1037 WeakPolarHBondContact O-CB 3.32Å; V1033-D1037 PolarHBondContact O-N 3.5Å; D1037-N1039 PolarHBondContact O-N 3.5Å; D1037-N1039 PolarHBondContact OD1-N 3.07Å; D1037-V1042 HydrophobicContact CB-CG1 4.37Å; D1037-V1042 WeakPolarHBondContact OD2-CG1 3.44Å; D1037-R1043 HydrophobicContact CB-CG 3.96Å; D1037-R1043 WeakPolarHBondContact O-CD 3.46Å | ||
| 1038 | S | 86.8 | Confident | 87.8 | Confident | 119 Ų | 119 | 57.6 Ų | 57.6 | 83% | 0.832 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -59.6 | -22.7 | 177.2 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | N1036 | N1036-S1038 PolarHBondContact O-N 3.03Š|
| 1039 | N | 92 | Very high | 88.1 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | trans | -104.5 | 120.9 | -175 | -170.3 | -60.5 | 0 | 0 | 0 | 112 | A999 D1037 G1041 V1042 R1043 | A999-N1039 HydrophobicContact CB-CB 4.15Å; D1037-N1039 PolarHBondContact O-N 3.5Å; D1037-N1039 PolarHBondContact OD1-N 3.07Å; N1039-G1041 VanDerWaalsContact C-N 3.33Å; N1039-G1041 PolarHBondContact O-N 3.23Å; N1039-G1041 PolarHBondContact OD1-N 3.43Å; N1039-V1042 HydrophobicContact CB-CB 4.28Å; N1039-V1042 HydrophobicContact CB-CG2 3.79Å; N1039-V1042 PolarHBondContact O-N 3.3Å; N1039-V1042 VanDerWaalsContact O-N 3.12Å; N1039-V1042 PolarHBondContact OD1-N 3.1Å; N1039-R1043 PolarHBondContact O-N 3.11Å; N1039-R1043 VanDerWaalsContact O-N 3.15Å | ||
| 1040 | N | 88.3 | Confident | 88.1 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | -177.7 | -169.5 | 52.9 | 0 | 0 | 0 | 113.4 | V1042 R1043 E1044 | N1040-V1042 VanDerWaalsContact C-N 3.26Å; N1040-V1042 PolarHBondContact O-N 3.47Å; N1040-R1043 PolarHBondContact O-N 3.02Å; N1040-E1044 PolarHBondContact ND2-OE1 3.4Å; N1040-E1044 WeakPolarHBondContact O-CG 3.4Å; N1040-E1044 PolarHBondContact O-N 3.03Å |
| 1041 | G | 85.6 | Confident | 88 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68 | -25.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1039 A1045 | N1039-G1041 VanDerWaalsContact C-N 3.33Å; N1039-G1041 PolarHBondContact O-N 3.23Å; N1039-G1041 PolarHBondContact OD1-N 3.43Å; G1041-A1045 PolarHBondContact O-N 3.47Å |
| 1042 | V | 90.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.6 | -44.8 | 172.7 | -177 | 0 | 0 | 0 | 0 | 110.1 | A999 R1002 R1003 V1033 D1037 N1039 N1040 E1044 A1045 A1046 | A999-V1042 HydrophobicContact CB-CG2 4.15Å; A999-V1042 WeakPolarHBondContact O-CG2 3.23Å; R1002-V1042 HydrophobicContact CB-CG1 3.84Å; R1002-V1042 HydrophobicContact CB-CG2 4.32Å; R1003-V1042 HydrophobicContact CB-CG2 4.07Å; V1033-V1042 HydrophobicContact CG1-CG1 3.55Å; D1037-V1042 HydrophobicContact CB-CG1 4.37Å; D1037-V1042 WeakPolarHBondContact OD2-CG1 3.44Å; N1039-V1042 HydrophobicContact CB-CB 4.28Å; N1039-V1042 HydrophobicContact CB-CG2 3.79Å; N1039-V1042 PolarHBondContact O-N 3.3Å; N1039-V1042 VanDerWaalsContact O-N 3.12Å; N1039-V1042 PolarHBondContact OD1-N 3.1Å; N1040-V1042 VanDerWaalsContact C-N 3.26Å; N1040-V1042 PolarHBondContact O-N 3.47Å; V1042-E1044 VanDerWaalsContact C-N 3.35Å; V1042-E1044 PolarHBondContact O-N 3.12Å; V1042-A1045 PolarHBondContact O-N 2.87Å; V1042-A1046 PolarHBondContact O-N 3.5Å |
| 1043 | R | 90.4 | Very high | 87.2 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 177 | -66.9 | 177.5 | 61.9 | -163.3 | -0.6 | 112 | A1034 D1037 N1039 N1040 A1045 A1046 I1047 | A1034-R1043 PolarHBondContact O-NE 3.26Å; D1037-R1043 HydrophobicContact CB-CG 3.96Å; D1037-R1043 WeakPolarHBondContact O-CD 3.46Å; N1039-R1043 PolarHBondContact O-N 3.11Å; N1039-R1043 VanDerWaalsContact O-N 3.15Å; N1040-R1043 PolarHBondContact O-N 3.02Å; R1043-A1045 VanDerWaalsContact C-N 3.34Å; R1043-A1045 PolarHBondContact O-N 3.45Å; R1043-A1046 PolarHBondContact O-N 3.41Å; R1043-I1047 VanDerWaalsContact O-CG1 3.25Å; R1043-I1047 WeakPolarHBondContact O-CG1 3.44Å; R1043-I1047 PolarHBondContact O-N 3.42Å |
| 1044 | E | 89.9 | Confident | 86.5 | Confident | 111 Ų | 111 | 56.2 Ų | 56.2 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 176.9 | -74.6 | 174.8 | -172.5 | 0 | 0 | 112.2 | N1040 V1042 I1047 A1048 | N1040-E1044 PolarHBondContact ND2-OE1 3.4Å; N1040-E1044 WeakPolarHBondContact O-CG 3.4Å; N1040-E1044 PolarHBondContact O-N 3.03Å; V1042-E1044 VanDerWaalsContact C-N 3.35Å; V1042-E1044 PolarHBondContact O-N 3.12Å; E1044-I1047 PolarHBondContact O-N 3.21Å; E1044-A1048 WeakPolarHBondContact O-CB 3.5Å; E1044-A1048 PolarHBondContact O-N 3.11Å |
| 1045 | A | 88.6 | Confident | 85.7 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1003 C1006 G1041 V1042 R1043 A1048 A1049 | R1003-A1045 HydrophobicContact CG-CB 3.91Å; C1006-A1045 HydrophobicContact CB-CB 3.82Å; G1041-A1045 PolarHBondContact O-N 3.47Å; V1042-A1045 PolarHBondContact O-N 2.87Å; R1043-A1045 VanDerWaalsContact C-N 3.34Å; R1043-A1045 PolarHBondContact O-N 3.45Å; A1045-A1048 PolarHBondContact O-N 3.2Å; A1045-A1049 PolarHBondContact O-N 3.12Å |
| 1046 | A | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | C1006 V1033 A1034 V1042 R1043 A1048 A1049 L1050 | C1006-A1046 HydrophobicContact CB-CB 4.48Å; V1033-A1046 HydrophobicContact CB-CB 4.32Å; V1033-A1046 HydrophobicContact CG1-CB 3.87Å; A1034-A1046 HydrophobicContact CB-CB 3.95Å; V1042-A1046 PolarHBondContact O-N 3.5Å; R1043-A1046 PolarHBondContact O-N 3.41Å; A1046-A1048 VanDerWaalsContact C-N 3.34Å; A1046-A1048 PolarHBondContact O-N 3.14Å; A1046-A1049 PolarHBondContact O-N 3.09Å; A1046-L1050 WeakPolarHBondContact O-CG 3.33Å; A1046-L1050 PolarHBondContact O-N 3.17Å |
| 1047 | I | 88.6 | Confident | 83.8 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 36% | 0.359 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 174.7 | -67.5 | 164.5 | 0 | 0 | 0 | 110.7 | A1034 R1043 E1044 A1049 L1050 K1051 | A1034-I1047 HydrophobicContact CB-CG1 3.89Å; R1043-I1047 VanDerWaalsContact O-CG1 3.25Å; R1043-I1047 WeakPolarHBondContact O-CG1 3.44Å; R1043-I1047 PolarHBondContact O-N 3.42Å; E1044-I1047 PolarHBondContact O-N 3.21Å; I1047-A1049 VanDerWaalsContact C-N 3.35Å; I1047-L1050 PolarHBondContact O-N 3.42Å; I1047-K1051 HydrophobicContact CG2-CD 4.43Å; I1047-K1051 WeakPolarHBondContact O-CG 3.45Å; I1047-K1051 PolarHBondContact O-N 3.26Å |
| 1048 | A | 87.4 | Confident | 82.4 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1044 A1045 A1046 K1051 L1052 | E1044-A1048 WeakPolarHBondContact O-CB 3.5Å; E1044-A1048 PolarHBondContact O-N 3.11Å; A1045-A1048 PolarHBondContact O-N 3.2Å; A1046-A1048 VanDerWaalsContact C-N 3.34Å; A1046-A1048 PolarHBondContact O-N 3.14Å; A1048-K1051 PolarHBondContact O-N 3.46Å; A1048-L1052 PolarHBondContact O-N 3.04Å |
| 1049 | A | 85.8 | Confident | 81.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | C1006 L1030 A1045 A1046 I1047 K1051 L1052 C1053 | C1006-A1049 VanDerWaalsContact O-CB 3.29Å; C1006-A1049 WeakPolarHBondContact O-CB 3.18Å; L1030-A1049 HydrophobicContact CD2-CB 4.48Å; A1045-A1049 PolarHBondContact O-N 3.12Å; A1046-A1049 PolarHBondContact O-N 3.09Å; I1047-A1049 VanDerWaalsContact C-N 3.35Å; A1049-K1051 VanDerWaalsContact C-N 3.3Å; A1049-K1051 PolarHBondContact O-N 3.11Å; A1049-L1052 WeakPolarHBondContact O-CB 3.32Å; A1049-L1052 PolarHBondContact O-N 3.48Å; A1049-L1052 VanDerWaalsContact O-N 3.13Å; A1049-C1053 PolarHBondContact O-N 3.4Å; A1049-C1053 PolarHBondContact O-SG 3.25Å |
| 1050 | L | 85 | Confident | 79.4 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 177.3 | -73.5 | 167.6 | 0 | 0 | 0 | 112.7 | Y1027 L1030 L1031 A1034 A1046 I1047 C1053 S1054 | Y1027-L1050 HydrophobicContact CD1-CD2 4.41Å; L1030-L1050 HydrophobicContact CB-CD1 4.5Å; L1030-L1050 HydrophobicContact CB-CD2 3.87Å; L1030-L1050 HydrophobicContact CB-CG 4.12Å; L1031-L1050 HydrophobicContact CD1-CD1 4.3Å; A1034-L1050 HydrophobicContact CB-CD1 3.97Å; A1046-L1050 WeakPolarHBondContact O-CG 3.33Å; A1046-L1050 PolarHBondContact O-N 3.17Å; I1047-L1050 PolarHBondContact O-N 3.42Å; L1050-C1053 PolarHBondContact O-N 3.38Å; L1050-S1054 PolarHBondContact O-N 3.24Å |
| 1051 | K | 84.3 | Confident | 77.8 | Confident | 136 Ų | 136 | 63.5 Ų | 63.5 | 59% | 0.591 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 173.9 | -76.3 | 176.6 | 178.8 | -178.5 | 0 | 111.9 | I1047 A1048 A1049 C1053 S1054 Q1055 | I1047-K1051 HydrophobicContact CG2-CD 4.43Å; I1047-K1051 WeakPolarHBondContact O-CG 3.45Å; I1047-K1051 PolarHBondContact O-N 3.26Å; A1048-K1051 PolarHBondContact O-N 3.46Å; A1049-K1051 VanDerWaalsContact C-N 3.3Å; A1049-K1051 PolarHBondContact O-N 3.11Å; K1051-C1053 VanDerWaalsContact C-N 3.33Å; K1051-S1054 PolarHBondContact O-N 3.27Å; K1051-Q1055 WeakPolarHBondContact O-CG 3.42Å; K1051-Q1055 PolarHBondContact O-N 3.48Å |
| 1052 | L | 80.8 | Confident | 76 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 28% | 0.277 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.2 | -69.4 | 170.9 | 0 | 0 | 0 | 111.2 | A1048 A1049 Q1055 Q1056 | A1048-L1052 PolarHBondContact O-N 3.04Å; A1049-L1052 WeakPolarHBondContact O-CB 3.32Å; A1049-L1052 PolarHBondContact O-N 3.48Å; A1049-L1052 VanDerWaalsContact O-N 3.13Å; L1052-Q1055 PolarHBondContact O-N 3.01Å; L1052-Q1056 PolarHBondContact O-N 3.33Å; L1052-Q1056 VanDerWaalsContact O-N 3.15Å |
| 1053 | C | 75.9 | Confident | 73.5 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.014 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 174.4 | -54.2 | 0 | 0 | 0 | 0 | 112 | V1013 Y1027 A1049 L1050 K1051 Q1055 Q1056 D1057 | V1013-C1053 HydrophobicContact CG2-CB 4.38Å; V1013-C1053 WeakPolarHBondContact CG2-SG 3.38Å; Y1027-C1053 HydrophobicContact CD1-CB 4.48Å; Y1027-C1053 HydrophobicContact CE1-CB 3.41Å; Y1027-C1053 VanDerWaalsContact CE1-CB 3.41Å; A1049-C1053 PolarHBondContact O-N 3.4Å; A1049-C1053 PolarHBondContact O-SG 3.25Å; L1050-C1053 PolarHBondContact O-N 3.38Å; K1051-C1053 VanDerWaalsContact C-N 3.33Å; C1053-Q1055 VanDerWaalsContact C-N 3.3Å; C1053-Q1055 PolarHBondContact O-N 2.81Å; C1053-Q1056 PolarHBondContact O-N 3.46Å; C1053-D1057 PolarHBondContact O-N 3.12Å |
| 1054 | S | 74 | Confident | 72.7 | Confident | 79 Ų | 79 | 72 Ų | 72 | 55% | 0.552 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.9 | -33.9 | 179.3 | 179.4 | 0 | 0 | 0 | 0 | 113.4 | L1050 K1051 A1058 | L1050-S1054 PolarHBondContact O-N 3.24Å; K1051-S1054 PolarHBondContact O-N 3.27Å; S1054-A1058 WeakPolarHBondContact O-CB 3.31Å; S1054-A1058 PolarHBondContact O-N 2.94Å; S1054-A1058 VanDerWaalsContact O-N 3.12Å |
| 1055 | Q | 72.9 | Confident | 71.8 | Confident | 124 Ų | 124 | 69.9 Ų | 69.9 | 58% | 0.579 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.4 | -42 | 176.7 | -75.2 | 173.1 | -9.2 | 0 | 0 | 111.4 | K1051 L1052 C1053 A1058 V1059 | K1051-Q1055 WeakPolarHBondContact O-CG 3.42Å; K1051-Q1055 PolarHBondContact O-N 3.48Å; L1052-Q1055 PolarHBondContact O-N 3.01Å; C1053-Q1055 VanDerWaalsContact C-N 3.3Å; C1053-Q1055 PolarHBondContact O-N 2.81Å; Q1055-A1058 PolarHBondContact O-N 2.98Å; Q1055-V1059 WeakPolarHBondContact O-CG2 3.49Å; Q1055-V1059 PolarHBondContact O-N 3.12Å; Q1055-V1059 VanDerWaalsContact O-N 3.11Å |
| 1056 | Q | 69.4 | Low | 70.8 | Confident | 28 Ų | 28 | 72.8 Ų | 72.8 | 13% | 0.131 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 177.5 | -157.1 | 85.5 | -12.4 | 0 | 0 | 111.6 | V1013 V1019 L1052 C1053 A1058 V1059 Q1060 | V1013-Q1056 HydrophobicContact CG1-CB 3.64Å; V1013-Q1056 HydrophobicContact CG1-CG 3.85Å; V1013-Q1056 PolarHBondContact O-NE2 2.92Å; V1013-Q1056 VanDerWaalsContact O-NE2 3.11Å; V1019-Q1056 HydrophobicContact CG1-CG 4.45Å; V1019-Q1056 HydrophobicContact CG2-CG 3.76Å; L1052-Q1056 PolarHBondContact O-N 3.33Å; L1052-Q1056 VanDerWaalsContact O-N 3.15Å; C1053-Q1056 PolarHBondContact O-N 3.46Å; Q1056-A1058 VanDerWaalsContact C-N 3.33Å; Q1056-A1058 PolarHBondContact O-N 3.47Å; Q1056-V1059 PolarHBondContact O-N 3.45Å; Q1056-Q1060 PolarHBondContact O-N 3.25Å |
| 1057 | D | 64 | Low | 69.8 | Low | 43 Ų | 43 | 77.1 Ų | 77.1 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 174.1 | -104 | 33.8 | 0 | 0 | 0 | 112.5 | C1053 V1059 Q1060 R1061 | C1053-D1057 PolarHBondContact O-N 3.12Å; D1057-V1059 VanDerWaalsContact C-N 3.34Å; D1057-Q1060 PolarHBondContact O-N 3.17Å; D1057-R1061 WeakPolarHBondContact O-CB 3.37Å; D1057-R1061 VanDerWaalsContact O-CG 3.31Å; D1057-R1061 WeakPolarHBondContact O-CG 3.32Å; D1057-R1061 PolarHBondContact O-N 3.41Å; D1057-R1061 IonicContact OD2-CZ 3.71Å; D1057-R1061 IonicContact OD2-NE 3.64Å; D1057-R1061 IonicContact OD2-NH2 2.73Å; D1057-R1061 PolarHBondContact OD2-NH2 2.87Å |
| 1058 | A | 60.5 | Low | 68.6 | Low | 65 Ų | 65 | 77.6 Ų | 77.6 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.4 | -34.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1054 Q1055 Q1056 G1062 | S1054-A1058 WeakPolarHBondContact O-CB 3.31Å; S1054-A1058 PolarHBondContact O-N 2.94Å; S1054-A1058 VanDerWaalsContact O-N 3.12Å; Q1055-A1058 PolarHBondContact O-N 2.98Å; Q1056-A1058 VanDerWaalsContact C-N 3.33Å; Q1056-A1058 PolarHBondContact O-N 3.47Å; A1058-G1062 PolarHBondContact O-N 3.03Å |
| 1059 | V | 59.6 | Low | 67.3 | Low | 100 Ų | 100 | 79.3 Ų | 79.3 | 61% | 0.606 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.6 | -43.5 | 174.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | Q1055 Q1056 D1057 G1062 S1063 | Q1055-V1059 WeakPolarHBondContact O-CG2 3.49Å; Q1055-V1059 PolarHBondContact O-N 3.12Å; Q1055-V1059 VanDerWaalsContact O-N 3.11Å; Q1056-V1059 PolarHBondContact O-N 3.45Å; D1057-V1059 VanDerWaalsContact C-N 3.34Å; V1059-G1062 PolarHBondContact O-N 3.11Å; V1059-S1063 PolarHBondContact O-N 3.35Å |
| 1060 | Q | 56.7 | Low | 66 | Low | 103 Ų | 103 | 84.9 Ų | 84.9 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70 | -29.9 | 178.8 | -74.8 | -171.4 | -10.8 | 0 | 0 | 114.3 | Q1056 D1057 S1063 | Q1056-Q1060 PolarHBondContact O-N 3.25Å; D1057-Q1060 PolarHBondContact O-N 3.17Å; Q1060-S1063 PolarHBondContact O-OG 3.16Å |
| 1061 | R | 54.8 | Low | 64.5 | Low | 201 Ų | 201 | 88.5 Ų | 88.5 | 76% | 0.758 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -84 | -11.5 | 175.6 | -65.3 | 179.9 | -151.2 | -167.4 | 7.3 | 113.4 | D1057 | D1057-R1061 WeakPolarHBondContact O-CB 3.37Å; D1057-R1061 VanDerWaalsContact O-CG 3.31Å; D1057-R1061 WeakPolarHBondContact O-CG 3.32Å; D1057-R1061 PolarHBondContact O-N 3.41Å; D1057-R1061 IonicContact OD2-CZ 3.71Å; D1057-R1061 IonicContact OD2-NE 3.64Å; D1057-R1061 IonicContact OD2-NH2 2.73Å; D1057-R1061 PolarHBondContact OD2-NH2 2.87Å |
| 1062 | G | 47.3 | Very low | 62.9 | Low | 71 Ų | 71 | 84.6 Ų | 84.6 | 73% | 0.732 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -102.5 | -11 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1058 V1059 | A1058-G1062 PolarHBondContact O-N 3.03Å; V1059-G1062 PolarHBondContact O-N 3.11Å |
| 1063 | S | 38.8 | Very low | 61.3 | Low | 146 Ų | 146 | 87.5 Ų | 87.5 | 100% | 1.021 | 51% | 0.513 | S | S | * | . | trans | -92.4 | 0 | 166.7 | 63.9 | 0 | 0 | 0 | 0 | 111 | V1059 Q1060 | V1059-S1063 PolarHBondContact O-N 3.35Å; Q1060-S1063 PolarHBondContact O-OG 3.16Å |
Retrieved 1,063 of 1,063 residues in 3054.7 ms
(Link to these results)