| 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 | 86.6 | Confident | 90 | Very high | 45 Ų | 45 | 71.3 Ų | 71.3 | 22% | 0.222 | 35% | 0.351 | C | S | . | . | 0 | -37.2 | 0 | -70.3 | -42.3 | -66.1 | 0 | 0 | 116.2 | N3 F4 V32 Y65 T67 W72 | M1-N3 PolarHBondContact O-N 3.46Å; M1-F4 PolarHBondContact O-N 3.33Å; M1-F4 VanDerWaalsContact O-N 3.13Å; M1-V32 HydrophobicContact CE-CG1 3.95Å; M1-Y65 HydrophobicContact SD-CD2 3.81Å; M1-Y65 HydrophobicContact SD-CG 4.33Å; M1-T67 HydrophobicContact CG-CG2 4.12Å; M1-W72 HydrophobicContact CE-CD2 4.01Å; M1-W72 HydrophobicContact CE-CE3 3.66Å; M1-W72 HydrophobicContact CE-CG 4.45Å; M1-W72 HydrophobicContact CE-CZ3 4.12Å; M1-W72 HydrophobicContact CG-CB 4.33Å; M1-W72 HydrophobicContact CG-CD2 3.91Å; M1-W72 HydrophobicContact CG-CG 3.81Å; M1-W72 HydrophobicContact SD-CB 3.6Å; M1-W72 VanDerWaalsContact SD-CB 3.6Å; M1-W72 HydrophobicContact SD-CD2 3.79Å; M1-W72 HydrophobicContact SD-CE3 4.02Å; M1-W72 HydrophobicContact SD-CG 3.62Å | |||
| 2 | E | 89.5 | Confident | 89.3 | Confident | 172 Ų | 172 | 73.7 Ų | 73.7 | 80% | 0.804 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.8 | -174.3 | -59.7 | -174.4 | 155 | 0 | 0 | 115.5 | F4 K24 | E2-F4 PolarHBondContact O-N 3.42Å; E2-F4 VanDerWaalsContact O-N 3.15Å; E2-K24 WeakPolarHBondContact O-CD 3.25Å; E2-K24 VanDerWaalsContact O-CE 3.26Å; E2-K24 WeakPolarHBondContact O-CE 3.31Å; E2-K24 PolarHBondContact O-NZ 3.45Å |
| 3 | N | 91.5 | Very high | 88.1 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -2.3 | 179.3 | -65.3 | -28.8 | 0 | 0 | 0 | 115.3 | M1 K24 | M1-N3 PolarHBondContact O-N 3.46Å; N3-K24 WeakPolarHBondContact O-CB 3.42Å; N3-K24 PolarHBondContact O-N 3.34Å |
| 4 | F | 93.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 78.8 Ų | 78.8 | 5% | 0.053 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 154.6 | -172.1 | -58.2 | -85.6 | 0 | 0 | 0 | 112.9 | M1 E2 R22 R23 K24 L30 E63 Y65 V74 | M1-F4 PolarHBondContact O-N 3.33Å; M1-F4 VanDerWaalsContact O-N 3.13Å; E2-F4 PolarHBondContact O-N 3.42Å; E2-F4 VanDerWaalsContact O-N 3.15Å; F4-R22 WeakPolarHBondContact CA-O 3.4Å; F4-R23 HydrophobicContact CD1-CB 4.09Å; F4-R23 HydrophobicContact CD1-CG 4.33Å; F4-R23 HydrophobicContact CE1-CB 3.89Å; F4-R23 HydrophobicContact CE1-CG 3.89Å; F4-R23 HydrophobicContact CZ-CG 4.39Å; F4-K24 VanDerWaalsContact O-CE 3.28Å; F4-K24 WeakPolarHBondContact O-CE 3.43Å; F4-L30 HydrophobicContact CD1-CD1 4.11Å; F4-L30 HydrophobicContact CE1-CD1 3.59Å; F4-E63 WeakPolarHBondContact CZ-OE2 3.23Å; F4-Y65 HydrophobicContact CD2-CE2 4.44Å; F4-Y65 AromaticContact CE2-CE2 3.61Å; F4-Y65 HydrophobicContact CE2-CE2 3.61Å; F4-Y65 HydrophobicContact CZ-CE2 4.39Å; F4-V74 HydrophobicContact CE1-CG1 3.85Å; F4-V74 HydrophobicContact CE1-CG2 4.5Å; F4-V74 HydrophobicContact CE2-CG2 4.22Å; F4-V74 HydrophobicContact CZ-CG1 4.01Å; F4-V74 HydrophobicContact CZ-CG2 4.03Å |
| 5 | V | 93.3 | Very high | 85.8 | Confident | 51 Ų | 51 | 79.3 Ų | 79.3 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.2 | 164.6 | -178.5 | 0 | 0 | 0 | 0 | 106.7 | Y7 A21 R22 K24 | V5-Y7 HydrophobicContact CB-CE2 4.04Å; V5-Y7 HydrophobicContact CG1-CD2 4.34Å; V5-Y7 HydrophobicContact CG1-CE2 3.79Å; V5-Y7 WeakPolarHBondContact O-CD2 3.34Å; V5-A21 CarbonylContact O-C 3.12Å; V5-A21 WeakPolarHBondContact O-CA 3.41Å; V5-R22 PolarHBondContact N-O 3.2Å; V5-R22 PolarHBondContact O-N 2.87Å; V5-K24 HydrophobicContact CG2-CD 4.48Å; V5-K24 HydrophobicContact CG2-CG 3.83Å |
| 6 | L | 93.9 | Very high | 85.8 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 143.7 | 173.3 | -61.6 | 169.2 | 0 | 0 | 0 | 109.4 | Y19 A21 V32 W72 | L6-Y19 HydrophobicContact CD2-CG 4.32Å; L6-A21 HydrophobicContact CD2-CB 4.16Å; L6-V32 HydrophobicContact CD2-CB 4.11Å; L6-V32 HydrophobicContact CD2-CG1 4.05Å; L6-W72 HydrophobicContact CD1-CH2 4.38Å; L6-W72 HydrophobicContact CD1-CZ3 4.09Å |
| 7 | Y | 92.5 | Very high | 86.2 | Confident | 72 Ų | 72 | 72.4 Ų | 72.4 | 28% | 0.282 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -128.5 | 176.5 | -65.5 | -104.5 | 0 | 0 | 0 | 107.9 | V5 K20 R22 Y29 | V5-Y7 HydrophobicContact CB-CE2 4.04Å; V5-Y7 HydrophobicContact CG1-CD2 4.34Å; V5-Y7 HydrophobicContact CG1-CE2 3.79Å; V5-Y7 WeakPolarHBondContact O-CD2 3.34Å; Y7-K20 WeakPolarHBondContact CB-O 3.22Å; Y7-K20 PolarHBondContact N-O 2.9Å; Y7-R22 HydrophobicContact CE2-CB 3.68Å; Y7-R22 PolarHBondContact OH-NE 3.37Å; Y7-Y29 HydrophobicContact CD2-CE1 4.36Å; Y7-Y29 AromaticContact CE2-CE1 3.99Å; Y7-Y29 HydrophobicContact CE2-CE1 3.99Å |
| 8 | D | 89.6 | Confident | 86.5 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 150.6 | -177.8 | -45.9 | -75.1 | 0 | 0 | 0 | 113.3 | Y19 K20 Q1191 | D8-Y19 CarbonylContact O-C 3.51Å; D8-Y19 WeakPolarHBondContact O-CA 3.32Å; D8-K20 PolarHBondContact O-N 3.34Å; D8-Q1191 VanDerWaalsContact CG-NE2 3.34Å; D8-Q1191 WeakPolarHBondContact OD1-CG 3.49Å; D8-Q1191 PolarHBondContact OD1-NE2 2.88Å; D8-Q1191 WeakPolarHBondContact OD2-CG 3.35Å; D8-Q1191 PolarHBondContact OD2-NE2 3.25Å |
| 9 | E | 90.6 | Very high | 87 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 122.5 | 157.6 | -170.3 | 172 | 126.5 | 0 | 0 | 108.2 | K12 V17 Y19 | E9-K12 WeakPolarHBondContact OE1-CD 3.09Å; E9-K12 IonicContact OE1-NZ 2.8Å; E9-V17 HydrophobicContact CG-CG1 3.64Å; E9-Y19 HydrophobicContact CB-CD1 4.29Å; E9-Y19 HydrophobicContact CB-CE1 4.2Å; E9-Y19 HydrophobicContact CG-CE1 4.49Å |
| 10 | I | 86.1 | Confident | 87.4 | Confident | 81 Ų | 81 | 67.4 Ų | 67.4 | 42% | 0.415 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -51.5 | 178.7 | -58.6 | 167.2 | 0 | 0 | 0 | 109.5 | I18 K20 L77 | I10-I18 WeakPolarHBondContact CB-O 3.46Å; I10-I18 HydrophobicContact CD1-CG2 4.36Å; I10-I18 PolarHBondContact N-O 3.41Å; I10-K20 HydrophobicContact CD1-CB 3.86Å; I10-K20 HydrophobicContact CG1-CB 3.93Å; I10-L77 HydrophobicContact CD1-CD1 3.46Å; I10-L77 VanDerWaalsContact CD1-CD1 3.46Å |
| 11 | E | 83 | Confident | 87.8 | Confident | 67 Ų | 67 | 64.1 Ų | 64.1 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 152.6 | -171.8 | -176.7 | 166.9 | -153.2 | 0 | 0 | 109.7 | T13 I18 | E11-T13 HydrophobicContact CG-CG2 4.47Å; E11-I18 PolarHBondContact N-O 3.43Å; E11-I18 PolarHBondContact O-N 3.49Å |
| 12 | K | 82.1 | Confident | 88.2 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 108 | -175.4 | 169.1 | 169 | 164.4 | -164.8 | 0 | 108.9 | E9 V17 E498 | E9-K12 WeakPolarHBondContact OE1-CD 3.09Å; E9-K12 IonicContact OE1-NZ 2.8Å; K12-V17 HydrophobicContact CB-CG1 4.48Å; K12-V17 HydrophobicContact CD-CG2 4.44Å; K12-V17 HydrophobicContact CG-CG2 4.21Å; K12-E498 VanDerWaalsContact NZ-CD 3.26Å; K12-E498 IonicContact NZ-OE1 2.78Å; K12-E498 PolarHBondContact NZ-OE1 2.99Å; K12-E498 IonicContact NZ-OE2 3.2Å; K12-E498 PolarHBondContact NZ-OE2 3.13Å; K12-E498 VanDerWaalsContact NZ-OE2 3.15Å |
| 13 | T | 73 | Confident | 88.4 | Confident | 55 Ų | 55 | 61.2 Ų | 61.2 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | trans | -97.3 | 176.5 | 176.4 | 74.7 | 0 | 0 | 0 | 0 | 109.8 | E11 E15 Q16 | E11-T13 HydrophobicContact CG-CG2 4.47Å; T13-E15 PolarHBondContact O-N 2.85Å; T13-E15 PolarHBondContact OG1-N 3.28Å; T13-E15 VanDerWaalsContact OG1-N 3.09Å; T13-Q16 PolarHBondContact N-O 3.5Å; T13-Q16 PolarHBondContact OG1-N 3.24Å; T13-Q16 VanDerWaalsContact OG1-N 3.1Å; T13-Q16 PolarHBondContact OG1-O 3.27Å | ||
| 14 | N | 68.9 | Low | 88.5 | Confident | 164 Ų | 164 | 62.9 Ų | 62.9 | 88% | 0.877 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -63.7 | -18.1 | 169.6 | -69.4 | -14 | 0 | 0 | 0 | 112.5 | K39 | N14-K39 PolarHBondContact O-NZ 3.11Š|
| 15 | E | 73.4 | Confident | 88.4 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 41% | 0.407 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -95.2 | -48.9 | -175.1 | -67.5 | 162.9 | -171.9 | 0 | 0 | 111.7 | T13 K39 | T13-E15 PolarHBondContact O-N 2.85Å; T13-E15 PolarHBondContact OG1-N 3.28Å; T13-E15 VanDerWaalsContact OG1-N 3.09Å; E15-K39 WeakPolarHBondContact O-CD 3.24Å; E15-K39 WeakPolarHBondContact O-CE 3.3Å; E15-K39 PolarHBondContact O-NZ 2.83Å |
| 16 | Q | 85.8 | Confident | 88.4 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 152.9 | -168.3 | 58.5 | -170.7 | -26.1 | 0 | 0 | 113.5 | T13 I18 A33 C34 A35 | T13-Q16 PolarHBondContact N-O 3.5Å; T13-Q16 PolarHBondContact OG1-N 3.24Å; T13-Q16 VanDerWaalsContact OG1-N 3.1Å; T13-Q16 PolarHBondContact OG1-O 3.27Å; Q16-I18 HydrophobicContact CG-CG1 4.38Å; Q16-A33 HydrophobicContact CB-CB 4.5Å; Q16-C34 CarbonylContact C-O 3.57Å; Q16-C34 VanDerWaalsContact CA-O 3.3Å; Q16-C34 WeakPolarHBondContact CA-O 3.44Å; Q16-A35 HydrophobicContact CB-CB 4.24Å |
| 17 | V | 91.4 | Very high | 88.1 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.2 | 172.4 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | E9 K12 Y19 A33 C34 | E9-V17 HydrophobicContact CG-CG1 3.64Å; K12-V17 HydrophobicContact CB-CG1 4.48Å; K12-V17 HydrophobicContact CD-CG2 4.44Å; K12-V17 HydrophobicContact CG-CG2 4.21Å; V17-Y19 HydrophobicContact CB-CE2 4.04Å; V17-Y19 HydrophobicContact CG1-CD2 4.46Å; V17-Y19 HydrophobicContact CG1-CE1 4.17Å; V17-Y19 HydrophobicContact CG1-CE2 3.74Å; V17-A33 CarbonylContact O-C 3.6Å; V17-A33 WeakPolarHBondContact O-CA 3.39Å; V17-C34 PolarHBondContact N-O 2.89Å; V17-C34 PolarHBondContact O-N 3.18Å |
| 18 | I | 92.7 | Very high | 88 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116.4 | -175.5 | -49.8 | -177.8 | 0 | 0 | 0 | 109.7 | I10 E11 Q16 A31 A33 F138 | I10-I18 WeakPolarHBondContact CB-O 3.46Å; I10-I18 HydrophobicContact CD1-CG2 4.36Å; I10-I18 PolarHBondContact N-O 3.41Å; E11-I18 PolarHBondContact N-O 3.43Å; E11-I18 PolarHBondContact O-N 3.49Å; Q16-I18 HydrophobicContact CG-CG1 4.38Å; I18-A31 HydrophobicContact CG2-CB 4.1Å; I18-A33 HydrophobicContact CG1-CB 4.14Å; I18-F138 HydrophobicContact CD1-CZ 4.17Å |
| 19 | Y | 95.1 | Very high | 88.2 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 24% | 0.235 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 147.8 | 176.9 | -61.4 | -82.8 | 0 | 0 | 0 | 111.8 | L6 D8 E9 V17 A31 V32 C34 W72 | L6-Y19 HydrophobicContact CD2-CG 4.32Å; D8-Y19 CarbonylContact O-C 3.51Å; D8-Y19 WeakPolarHBondContact O-CA 3.32Å; E9-Y19 HydrophobicContact CB-CD1 4.29Å; E9-Y19 HydrophobicContact CB-CE1 4.2Å; E9-Y19 HydrophobicContact CG-CE1 4.49Å; V17-Y19 HydrophobicContact CB-CE2 4.04Å; V17-Y19 HydrophobicContact CG1-CD2 4.46Å; V17-Y19 HydrophobicContact CG1-CE1 4.17Å; V17-Y19 HydrophobicContact CG1-CE2 3.74Å; Y19-A31 CarbonylContact O-C 3.6Å; Y19-V32 PolarHBondContact N-O 2.96Å; Y19-V32 PolarHBondContact O-N 2.92Å; Y19-C34 HydrophobicContact CD2-CB 4.43Å; Y19-C34 HydrophobicContact CE2-CB 4Å; Y19-W72 HydrophobicContact CD2-CZ3 4.48Å; Y19-W72 HydrophobicContact CE2-CZ3 4.5Å |
| 20 | K | 95.6 | Very high | 88.5 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.5 | 161.6 | -176 | 176.5 | 177.4 | -176.5 | 0 | 108.8 | Y7 D8 I10 Y29 L77 | Y7-K20 WeakPolarHBondContact CB-O 3.22Å; Y7-K20 PolarHBondContact N-O 2.9Å; D8-K20 PolarHBondContact O-N 3.34Å; I10-K20 HydrophobicContact CD1-CB 3.86Å; I10-K20 HydrophobicContact CG1-CB 3.93Å; K20-Y29 HydrophobicContact CG-CD1 4.26Å; K20-L77 HydrophobicContact CG-CD2 4.17Å |
| 21 | A | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 163.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V5 L6 Y29 L30 V32 | V5-A21 CarbonylContact O-C 3.12Å; V5-A21 WeakPolarHBondContact O-CA 3.41Å; L6-A21 HydrophobicContact CD2-CB 4.16Å; A21-Y29 CarbonylContact O-C 3.47Å; A21-Y29 VanDerWaalsContact O-CA 3.24Å; A21-Y29 WeakPolarHBondContact O-CA 3.24Å; A21-Y29 WeakPolarHBondContact O-CD1 3.38Å; A21-L30 PolarHBondContact N-O 3.19Å; A21-L30 PolarHBondContact O-N 2.84Å; A21-V32 HydrophobicContact CB-CB 4.1Å; A21-V32 HydrophobicContact CB-CG2 3.38Å |
| 22 | R | 95.9 | Very high | 89.5 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 28% | 0.279 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.5 | 166 | -173.6 | 172.3 | 62.8 | 103.4 | -9.5 | 109.6 | F4 V5 Y7 K24 T26 K28 Y29 | F4-R22 WeakPolarHBondContact CA-O 3.4Å; V5-R22 PolarHBondContact N-O 3.2Å; V5-R22 PolarHBondContact O-N 2.87Å; Y7-R22 HydrophobicContact CE2-CB 3.68Å; Y7-R22 PolarHBondContact OH-NE 3.37Å; R22-K24 PolarHBondContact O-N 2.83Å; R22-T26 WeakPolarHBondContact CD-O 3.48Å; R22-T26 WeakPolarHBondContact CG-O 3.34Å; R22-T26 PolarHBondContact NH1-O 3.2Å; R22-K28 WeakPolarHBondContact CA-O 3.36Å; R22-Y29 HydrophobicContact CB-CD1 4.11Å; R22-Y29 HydrophobicContact CB-CE1 4.1Å |
| 23 | R | 93.8 | Very high | 90 | Very high | 82 Ų | 82 | 59.1 Ų | 59.1 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.5 | 173 | -167.3 | -173.8 | -168.1 | 105.9 | -8.6 | 109.1 | F4 T26 K28 L30 E63 | F4-R23 HydrophobicContact CD1-CB 4.09Å; F4-R23 HydrophobicContact CD1-CG 4.33Å; F4-R23 HydrophobicContact CE1-CB 3.89Å; F4-R23 HydrophobicContact CE1-CG 3.89Å; F4-R23 HydrophobicContact CZ-CG 4.39Å; R23-T26 HydrophobicContact CB-CG2 4.35Å; R23-T26 HydrophobicContact CG-CG2 4.49Å; R23-T26 PolarHBondContact O-N 3.19Å; R23-T26 PolarHBondContact O-OG1 2.85Å; R23-K28 PolarHBondContact N-O 3.41Å; R23-L30 HydrophobicContact CB-CD1 4.11Å; R23-E63 IonicContact CZ-OE1 3.97Å; R23-E63 VanDerWaalsContact CZ-OE1 3.23Å; R23-E63 IonicContact CZ-OE2 3.23Å; R23-E63 IonicContact NH1-OE1 2.71Å; R23-E63 PolarHBondContact NH1-OE1 2.83Å; R23-E63 IonicContact NH1-OE2 3.47Å; R23-E63 PolarHBondContact NH1-OE2 3.17Å; R23-E63 IonicContact NH2-OE1 2.65Å; R23-E63 PolarHBondContact NH2-OE1 2.59Å; R23-E63 IonicContact NH2-OE2 3.72Å |
| 24 | K | 92.1 | Very high | 91 | Very high | 116 Ų | 116 | 57 Ų | 57 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 146.2 | 177 | -69.4 | 178.5 | -176.9 | 167.3 | 0 | 110.1 | E2 N3 F4 V5 R22 T26 | E2-K24 WeakPolarHBondContact O-CD 3.25Å; E2-K24 VanDerWaalsContact O-CE 3.26Å; E2-K24 WeakPolarHBondContact O-CE 3.31Å; E2-K24 PolarHBondContact O-NZ 3.45Å; N3-K24 WeakPolarHBondContact O-CB 3.42Å; N3-K24 PolarHBondContact O-N 3.34Å; F4-K24 VanDerWaalsContact O-CE 3.28Å; F4-K24 WeakPolarHBondContact O-CE 3.43Å; V5-K24 HydrophobicContact CG2-CD 4.48Å; V5-K24 HydrophobicContact CG2-CG 3.83Å; R22-K24 PolarHBondContact O-N 2.83Å; K24-T26 PolarHBondContact O-N 3.5Å |
| 25 | G | 91.7 | Very high | 92.2 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 91% | 0.907 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -0.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 26 | T | 92.7 | Very high | 92.9 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 31% | 0.307 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -132.1 | 166.8 | 179.9 | 83 | 0 | 0 | 0 | 0 | 112.8 | R22 R23 K24 K28 | R22-T26 WeakPolarHBondContact CD-O 3.48Å; R22-T26 WeakPolarHBondContact CG-O 3.34Å; R22-T26 PolarHBondContact NH1-O 3.2Å; R23-T26 HydrophobicContact CB-CG2 4.35Å; R23-T26 HydrophobicContact CG-CG2 4.49Å; R23-T26 PolarHBondContact O-N 3.19Å; R23-T26 PolarHBondContact O-OG1 2.85Å; K24-T26 PolarHBondContact O-N 3.5Å; T26-K28 PolarHBondContact OG1-N 2.91Å; T26-K28 VanDerWaalsContact OG1-N 3.11Å |
| 27 | I | 89.1 | Confident | 93 | Very high | 154 Ų | 154 | 52.7 Ų | 52.7 | 79% | 0.79 | 26% | 0.264 | S | S | * | . | trans | -95.7 | 3.7 | 165.6 | 62.5 | 172.5 | 0 | 0 | 0 | 113 | Y29 | I27-Y29 PolarHBondContact O-N 3.07Š| ||
| 28 | K | 90.5 | Very high | 92.7 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | trans | -75.9 | 114.6 | -176.4 | -170.7 | -180 | -179.1 | -170.5 | 0 | 110.4 | R22 R23 T26 L30 Y62 | R22-K28 WeakPolarHBondContact CA-O 3.36Å; R23-K28 PolarHBondContact N-O 3.41Å; T26-K28 PolarHBondContact OG1-N 2.91Å; T26-K28 VanDerWaalsContact OG1-N 3.11Å; K28-L30 HydrophobicContact CD-CD2 3.97Å; K28-L30 HydrophobicContact CG-CD2 4.11Å; K28-L30 HydrophobicContact CG-CG 4.47Å; K28-Y62 PolarHBondContact NZ-OH 3.29Å | ||
| 29 | Y | 94.2 | Very high | 92.3 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 148.9 | 167.9 | -71.4 | -83.5 | 0 | 0 | 0 | 111.4 | Y7 K20 A21 R22 I27 | Y7-Y29 HydrophobicContact CD2-CE1 4.36Å; Y7-Y29 AromaticContact CE2-CE1 3.99Å; Y7-Y29 HydrophobicContact CE2-CE1 3.99Å; K20-Y29 HydrophobicContact CG-CD1 4.26Å; A21-Y29 CarbonylContact O-C 3.47Å; A21-Y29 VanDerWaalsContact O-CA 3.24Å; A21-Y29 WeakPolarHBondContact O-CA 3.24Å; A21-Y29 WeakPolarHBondContact O-CD1 3.38Å; R22-Y29 HydrophobicContact CB-CD1 4.11Å; R22-Y29 HydrophobicContact CB-CE1 4.1Å; I27-Y29 PolarHBondContact O-N 3.07Å |
| 30 | L | 95.3 | Very high | 92 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 158.1 | -169.6 | -61.4 | 169.9 | 0 | 0 | 0 | 109.1 | F4 A21 R23 K28 Y62 V74 | F4-L30 HydrophobicContact CD1-CD1 4.11Å; F4-L30 HydrophobicContact CE1-CD1 3.59Å; A21-L30 PolarHBondContact N-O 3.19Å; A21-L30 PolarHBondContact O-N 2.84Å; R23-L30 HydrophobicContact CB-CD1 4.11Å; K28-L30 HydrophobicContact CD-CD2 3.97Å; K28-L30 HydrophobicContact CG-CD2 4.11Å; K28-L30 HydrophobicContact CG-CG 4.47Å; L30-Y62 HydrophobicContact CD2-CD2 3.71Å; L30-Y62 HydrophobicContact CD2-CE2 3.44Å; L30-Y62 VanDerWaalsContact CD2-CE2 3.44Å; L30-V74 HydrophobicContact CB-CG1 4.36Å; L30-V74 HydrophobicContact CD1-CG1 3.82Å |
| 31 | A | 94.9 | Very high | 91.7 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 141.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | I18 Y19 M75 E76 L77 | I18-A31 HydrophobicContact CG2-CB 4.1Å; Y19-A31 CarbonylContact O-C 3.6Å; A31-M75 HydrophobicContact CB-CB 4.4Å; A31-M75 PolarHBondContact N-O 3.42Å; A31-M75 PolarHBondContact O-N 3.04Å; A31-E76 WeakPolarHBondContact CB-O 3.45Å; A31-L77 HydrophobicContact CB-CD1 4.29Å |
| 32 | V | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 104.5 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 108.7 | M1 L6 Y19 A21 W72 L73 V74 | M1-V32 HydrophobicContact CE-CG1 3.95Å; L6-V32 HydrophobicContact CD2-CB 4.11Å; L6-V32 HydrophobicContact CD2-CG1 4.05Å; Y19-V32 PolarHBondContact N-O 2.96Å; Y19-V32 PolarHBondContact O-N 2.92Å; A21-V32 HydrophobicContact CB-CB 4.1Å; A21-V32 HydrophobicContact CB-CG2 3.38Å; V32-W72 HydrophobicContact CG1-CE3 3.83Å; V32-W72 HydrophobicContact CG1-CZ3 4.43Å; V32-L73 CarbonylContact C-O 3.55Å; V32-L73 VanDerWaalsContact CA-O 3.27Å; V32-L73 WeakPolarHBondContact CA-O 3.34Å; V32-V74 HydrophobicContact CG2-CG1 4.19Å; V32-V74 HydrophobicContact CG2-CG2 4.23Å |
| 33 | A | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 148.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q16 V17 I18 W72 L73 M75 | Q16-A33 HydrophobicContact CB-CB 4.5Å; V17-A33 CarbonylContact O-C 3.6Å; V17-A33 WeakPolarHBondContact O-CA 3.39Å; I18-A33 HydrophobicContact CG1-CB 4.14Å; A33-W72 CarbonylContact O-C 3.55Å; A33-W72 VanDerWaalsContact O-CA 3.24Å; A33-W72 WeakPolarHBondContact O-CA 3.48Å; A33-L73 HydrophobicContact CB-CB 4.37Å; A33-L73 PolarHBondContact N-O 3.48Å; A33-L73 PolarHBondContact O-N 3.09Å; A33-M75 HydrophobicContact CB-CE 3.92Å |
| 34 | C | 94.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 8% | 0.081 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 121.6 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | Q16 V17 Y19 L71 W72 | Q16-C34 CarbonylContact C-O 3.57Å; Q16-C34 VanDerWaalsContact CA-O 3.3Å; Q16-C34 WeakPolarHBondContact CA-O 3.44Å; V17-C34 PolarHBondContact N-O 2.89Å; V17-C34 PolarHBondContact O-N 3.18Å; Y19-C34 HydrophobicContact CD2-CB 4.43Å; Y19-C34 HydrophobicContact CE2-CB 4Å; C34-L71 CarbonylContact C-O 3.46Å; C34-L71 WeakPolarHBondContact CA-O 3.19Å; C34-W72 HydrophobicContact CB-CD2 4.26Å; C34-W72 HydrophobicContact CB-CE3 3.73Å; C34-W72 HydrophobicContact CB-CH2 4.14Å; C34-W72 HydrophobicContact CB-CZ3 3.68Å |
| 35 | A | 92.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 154 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q16 I43 H70 L71 | Q16-A35 HydrophobicContact CB-CB 4.24Å; A35-I43 HydrophobicContact CB-CD1 4.01Å; A35-I43 HydrophobicContact CB-CG1 4.01Å; A35-H70 CarbonylContact O-C 3.57Å; A35-H70 VanDerWaalsContact O-CA 3.27Å; A35-H70 WeakPolarHBondContact O-CA 3.27Å; A35-H70 WeakPolarHBondContact O-CB 3.24Å; A35-L71 PolarHBondContact N-O 3.47Å; A35-L71 PolarHBondContact O-N 2.66Å |
| 36 | E | 89.7 | Confident | 90.8 | Very high | 96 Ų | 96 | 38.9 Ų | 38.9 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 149.9 | 173.7 | -68.6 | 173.2 | -105.9 | 0 | 0 | 111.5 | H38 K39 | E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 VanDerWaalsContact CD-CE1 3.5Å; E36-H38 PolarHBondContact O-N 3.39Å; E36-H38 IonicContact OE1-CE1 3.03Å; E36-H38 IonicContact OE2-CE1 2.73Å; E36-H38 PolarHBondContact OE2-CE1 3.04Å; E36-H38 VanDerWaalsContact OE2-CE1 3.23Å; E36-H38 IonicContact OE2-ND1 2.67Å; E36-H38 PolarHBondContact OE2-ND1 3.4Å; E36-K39 WeakPolarHBondContact O-CB 3.32Å; E36-K39 PolarHBondContact O-N 2.84Å; E36-K39 IonicContact OE1-NZ 3.33Å |
| 37 | K | 88.4 | Confident | 90.8 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 29% | 0.291 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -58.9 | -32.1 | -176.3 | -73.3 | -156.3 | 179.7 | -163.2 | 0 | 115 | K39 R40 E66 T67 S68 | K37-K39 PolarHBondContact O-N 3.41Å; K37-R40 WeakPolarHBondContact O-CB 3.21Å; K37-R40 PolarHBondContact O-N 2.97Å; K37-E66 VanDerWaalsContact CE-OE1 3.25Å; K37-E66 WeakPolarHBondContact CE-OE1 3.13Å; K37-E66 IonicContact NZ-OE1 3.13Å; K37-E66 PolarHBondContact NZ-OE1 3.06Å; K37-T67 WeakPolarHBondContact CE-O 3.26Å; K37-T67 PolarHBondContact NZ-O 3.26Å; K37-S68 VanDerWaalsContact CE-O 3.29Å; K37-S68 WeakPolarHBondContact CE-O 3.27Å |
| 38 | H | 84 | Confident | 90.9 | Very high | 95 Ų | 95 | 33.9 Ų | 33.9 | 44% | 0.44 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -62.4 | -10.8 | 177.4 | 72.7 | -103.2 | 0 | 0 | 0 | 113.5 | E36 R40 | E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 VanDerWaalsContact CD-CE1 3.5Å; E36-H38 PolarHBondContact O-N 3.39Å; E36-H38 IonicContact OE1-CE1 3.03Å; E36-H38 IonicContact OE2-CE1 2.73Å; E36-H38 PolarHBondContact OE2-CE1 3.04Å; E36-H38 VanDerWaalsContact OE2-CE1 3.23Å; E36-H38 IonicContact OE2-ND1 2.67Å; E36-H38 PolarHBondContact OE2-ND1 3.4Å; H38-R40 VanDerWaalsContact C-N 3.34Å |
| 39 | K | 84.7 | Confident | 91 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 10% | 0.1 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -93.2 | 13.2 | 173.7 | -63.9 | 162.3 | -179.4 | 155.8 | 0 | 112.7 | N14 E15 E36 K37 P41 V42 I43 | N14-K39 PolarHBondContact O-NZ 3.11Å; E15-K39 WeakPolarHBondContact O-CD 3.24Å; E15-K39 WeakPolarHBondContact O-CE 3.3Å; E15-K39 PolarHBondContact O-NZ 2.83Å; E36-K39 WeakPolarHBondContact O-CB 3.32Å; E36-K39 PolarHBondContact O-N 2.84Å; E36-K39 IonicContact OE1-NZ 3.33Å; K37-K39 PolarHBondContact O-N 3.41Å; K39-P41 VanDerWaalsContact C-N 3.26Å; K39-P41 VanDerWaalsContact O-N 3.16Å; K39-V42 HydrophobicContact CB-CG2 4.12Å; K39-V42 WeakPolarHBondContact O-CG2 3.45Å; K39-V42 PolarHBondContact O-N 3.46Å; K39-I43 HydrophobicContact CB-CG1 4.27Å; K39-I43 WeakPolarHBondContact O-CB 3.33Å; K39-I43 WeakPolarHBondContact O-CG1 3.41Å; K39-I43 PolarHBondContact O-N 2.81Å; K39-I43 VanDerWaalsContact O-N 3.1Å |
| 40 | R | 88.9 | Confident | 90.9 | Very high | 53 Ų | 53 | 25 Ų | 25 | 20% | 0.2 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -46.9 | -39.9 | 177.2 | -166.9 | 175 | -156.4 | 108 | 18.8 | 113.4 | K37 H38 S44 E66 L71 E159 | K37-R40 WeakPolarHBondContact O-CB 3.21Å; K37-R40 PolarHBondContact O-N 2.97Å; H38-R40 VanDerWaalsContact C-N 3.34Å; R40-S44 WeakPolarHBondContact O-CB 3.5Å; R40-S44 PolarHBondContact O-N 3.1Å; R40-S44 PolarHBondContact O-OG 3.05Å; R40-E66 IonicContact CZ-OE1 3.11Å; R40-E66 IonicContact CZ-OE2 3.9Å; R40-E66 IonicContact NH1-OE1 2.97Å; R40-E66 PolarHBondContact NH1-OE1 3.18Å; R40-E66 IonicContact NH1-OE2 3.2Å; R40-E66 PolarHBondContact NH1-OE2 2.81Å; R40-E66 IonicContact NH2-OE1 2.84Å; R40-E66 IonicContact NH2-OE2 2.72Å; R40-E66 PolarHBondContact NH2-OE2 3.45Å; R40-L71 HydrophobicContact CB-CD1 4.23Å; R40-L71 HydrophobicContact CG-CD1 4.43Å; R40-E159 WeakPolarHBondContact CD-OE1 3.34Å; R40-E159 IonicContact CZ-OE1 3.93Å; R40-E159 VanDerWaalsContact CZ-OE1 3.31Å; R40-E159 IonicContact NE-OE1 2.72Å; R40-E159 PolarHBondContact NE-OE1 3.11Å; R40-E159 IonicContact NH1-OE1 2.8Å; R40-E159 PolarHBondContact NH1-OE1 2.79Å |
| 41 | P | 88.2 | Confident | 90.5 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.032 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.4 | -60.8 | 179.4 | -27.9 | 37.2 | 0 | 0 | 0 | 115 | K39 I43 S44 N45 L154 F157 F168 | K39-P41 VanDerWaalsContact C-N 3.26Å; K39-P41 VanDerWaalsContact O-N 3.16Å; P41-I43 VanDerWaalsContact C-N 3.3Å; P41-I43 PolarHBondContact O-N 3.02Å; P41-S44 PolarHBondContact O-N 2.94Å; P41-N45 PolarHBondContact O-N 3.17Å; P41-L154 HydrophobicContact CB-CB 4.34Å; P41-L154 HydrophobicContact CB-CD2 3.96Å; P41-L154 WeakPolarHBondContact CB-O 3.48Å; P41-F157 HydrophobicContact CB-CB 4.08Å; P41-F157 HydrophobicContact CG-CB 4.39Å; P41-F168 HydrophobicContact CB-CE1 3.83Å; P41-F168 HydrophobicContact CB-CZ 3.88Å; P41-F168 HydrophobicContact CG-CE1 4.12Å; P41-F168 HydrophobicContact CG-CZ 4.18Å |
| 42 | V | 88.1 | Confident | 90.1 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.1 | -33.8 | -179.4 | -82.7 | 0 | 0 | 0 | 0 | 112.7 | K39 H46 L142 L154 F168 | K39-V42 HydrophobicContact CB-CG2 4.12Å; K39-V42 WeakPolarHBondContact O-CG2 3.45Å; K39-V42 PolarHBondContact O-N 3.46Å; V42-H46 VanDerWaalsContact O-CB 3.31Å; V42-H46 WeakPolarHBondContact O-CB 3.49Å; V42-H46 PolarHBondContact O-N 2.94Å; V42-L142 HydrophobicContact CG1-CD2 4.24Å; V42-L154 HydrophobicContact CG1-CD2 4.18Å; V42-F168 HydrophobicContact CG1-CZ 4.05Å; V42-F168 HydrophobicContact CG2-CZ 4.25Å |
| 43 | I | 89.8 | Confident | 89.9 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 6% | 0.056 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.8 | -41.8 | 175.9 | -67.2 | -57.3 | 0 | 0 | 0 | 111.7 | A35 K39 P41 H46 V47 L71 L73 | A35-I43 HydrophobicContact CB-CD1 4.01Å; A35-I43 HydrophobicContact CB-CG1 4.01Å; K39-I43 HydrophobicContact CB-CG1 4.27Å; K39-I43 WeakPolarHBondContact O-CB 3.33Å; K39-I43 WeakPolarHBondContact O-CG1 3.41Å; K39-I43 PolarHBondContact O-N 2.81Å; K39-I43 VanDerWaalsContact O-N 3.1Å; P41-I43 VanDerWaalsContact C-N 3.3Å; P41-I43 PolarHBondContact O-N 3.02Å; I43-H46 PolarHBondContact O-N 3.07Å; I43-V47 WeakPolarHBondContact O-CG2 3.17Å; I43-V47 PolarHBondContact O-N 3.48Å; I43-L71 HydrophobicContact CB-CD1 4.06Å; I43-L71 HydrophobicContact CG1-CD1 4.42Å; I43-L71 HydrophobicContact CG2-CB 4.26Å; I43-L71 HydrophobicContact CG2-CD1 3.82Å; I43-L73 HydrophobicContact CD1-CD1 4.04Å; I43-L73 HydrophobicContact CG2-CD1 3.83Å; I43-L73 HydrophobicContact CG2-CD2 4.35Å; I43-L73 HydrophobicContact CG2-CG 4.44Å |
| 44 | S | 90.7 | Very high | 89.9 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68 | -40 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | R40 P41 V47 R48 | R40-S44 WeakPolarHBondContact O-CB 3.5Å; R40-S44 PolarHBondContact O-N 3.1Å; R40-S44 PolarHBondContact O-OG 3.05Å; P41-S44 PolarHBondContact O-N 2.94Å; S44-V47 PolarHBondContact O-N 3.23Å; S44-R48 VanDerWaalsContact O-CB 3.28Å; S44-R48 WeakPolarHBondContact O-CB 3.29Å; S44-R48 PolarHBondContact O-N 3.1Å |
| 45 | N | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 173.1 | -169.2 | 35.6 | 0 | 0 | 0 | 112.1 | P41 V47 R48 V49 S141 A143 L153 L154 F157 | P41-N45 PolarHBondContact O-N 3.17Å; N45-V47 VanDerWaalsContact C-N 3.35Å; N45-V47 PolarHBondContact O-N 3.01Å; N45-R48 WeakPolarHBondContact O-CB 3.47Å; N45-R48 PolarHBondContact O-N 2.7Å; N45-R48 PolarHBondContact OD1-NE 3.35Å; N45-R48 PolarHBondContact OD1-NH2 3.22Å; N45-V49 WeakPolarHBondContact O-CG2 3.4Å; N45-V49 PolarHBondContact O-N 3.02Å; N45-S141 PolarHBondContact ND2-O 2.72Å; N45-A143 PolarHBondContact ND2-O 2.95Å; N45-A143 PolarHBondContact OD1-O 2.37Å; N45-L153 HydrophobicContact CB-CD2 4.1Å; N45-L153 WeakPolarHBondContact OD1-CD2 3.23Å; N45-L154 HydrophobicContact CB-CD2 4.24Å; N45-F157 HydrophobicContact CB-CD2 4.4Å; N45-F157 HydrophobicContact CB-CE2 4Å |
| 46 | H | 91 | Very high | 89.9 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.9 | -47.8 | 174 | -177.9 | 121.5 | 0 | 0 | 0 | 111.7 | V42 I43 S50 D139 F140 | V42-H46 VanDerWaalsContact O-CB 3.31Å; V42-H46 WeakPolarHBondContact O-CB 3.49Å; V42-H46 PolarHBondContact O-N 2.94Å; I43-H46 PolarHBondContact O-N 3.07Å; H46-S50 PolarHBondContact CD2-OG 3.05Å; H46-S50 WeakPolarHBondContact O-CB 3.21Å; H46-S50 PolarHBondContact O-N 3.01Å; H46-S50 PolarHBondContact O-OG 3.14Å; H46-D139 IonicContact ND1-OD1 3.76Å; H46-D139 PolarHBondContact ND1-OD1 3.38Å; H46-F140 PolarHBondContact ND1-N 3.05Å |
| 47 | V | 92.2 | Very high | 90.2 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 179.7 | 171.4 | 0 | 0 | 0 | 0 | 111 | I43 S44 N45 V49 S50 H51 F61 W64 L73 | I43-V47 WeakPolarHBondContact O-CG2 3.17Å; I43-V47 PolarHBondContact O-N 3.48Å; S44-V47 PolarHBondContact O-N 3.23Å; N45-V47 VanDerWaalsContact C-N 3.35Å; N45-V47 PolarHBondContact O-N 3.01Å; V47-V49 PolarHBondContact O-N 3.24Å; V47-S50 PolarHBondContact O-N 3.11Å; V47-H51 WeakPolarHBondContact O-CB 3.39Å; V47-H51 PolarHBondContact O-N 3.28Å; V47-F61 HydrophobicContact CG1-CE1 4.31Å; V47-F61 HydrophobicContact CG1-CE2 4.42Å; V47-F61 HydrophobicContact CG1-CZ 3.86Å; V47-F61 HydrophobicContact CG2-CE2 3.9Å; V47-F61 HydrophobicContact CG2-CZ 4.11Å; V47-W64 HydrophobicContact CG1-CD2 4.21Å; V47-W64 HydrophobicContact CG1-CG 4.12Å; V47-W64 HydrophobicContact CG2-CB 4.33Å; V47-W64 HydrophobicContact CG2-CD2 4.15Å; V47-W64 HydrophobicContact CG2-CE3 4.32Å; V47-W64 HydrophobicContact CG2-CG 4.15Å; V47-L73 HydrophobicContact CG2-CD2 3.77Å; V47-L73 HydrophobicContact CG2-CG 4.25Å |
| 48 | R | 91.4 | Very high | 90.6 | Very high | 86 Ų | 86 | 42.5 Ų | 42.5 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -51.1 | -53.7 | 176.4 | 178.8 | -170.4 | 76.2 | 108.9 | -9.6 | 111.6 | S44 N45 E148 | S44-R48 VanDerWaalsContact O-CB 3.28Å; S44-R48 WeakPolarHBondContact O-CB 3.29Å; S44-R48 PolarHBondContact O-N 3.1Å; N45-R48 WeakPolarHBondContact O-CB 3.47Å; N45-R48 PolarHBondContact O-N 2.7Å; N45-R48 PolarHBondContact OD1-NE 3.35Å; N45-R48 PolarHBondContact OD1-NH2 3.22Å; R48-E148 IonicContact CZ-OE1 3.62Å; R48-E148 IonicContact CZ-OE2 3.39Å; R48-E148 VanDerWaalsContact CZ-OE2 3.31Å; R48-E148 VanDerWaalsContact NH1-CD 3.25Å; R48-E148 IonicContact NH1-OE1 3.31Å; R48-E148 PolarHBondContact NH1-OE1 3.14Å; R48-E148 IonicContact NH1-OE2 3.41Å; R48-E148 PolarHBondContact NH1-OE2 3.42Å; R48-E148 IonicContact NH2-OE1 2.62Å; R48-E148 IonicContact NH2-OE2 3.95Å; R48-E148 PolarHBondContact NH2-OE2 3.31Å |
| 49 | V | 91.9 | Very high | 91.1 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.6 | -47.6 | -177.2 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | N45 V47 H51 L53 V117 F140 A143 | N45-V49 WeakPolarHBondContact O-CG2 3.4Å; N45-V49 PolarHBondContact O-N 3.02Å; V47-V49 PolarHBondContact O-N 3.24Å; V49-H51 PolarHBondContact O-N 2.94Å; V49-L53 HydrophobicContact CG1-CD1 4.02Å; V49-L53 WeakPolarHBondContact O-CG 3.27Å; V49-V117 HydrophobicContact CG1-CG1 3.95Å; V49-V117 HydrophobicContact CG1-CG2 4.45Å; V49-F140 HydrophobicContact CB-CB 4.08Å; V49-F140 HydrophobicContact CG1-CB 3.99Å; V49-F140 HydrophobicContact CG1-CD1 3.63Å; V49-F140 HydrophobicContact CG1-CE1 4.43Å; V49-F140 HydrophobicContact CG1-CG 4.02Å; V49-A143 HydrophobicContact CG1-CB 4.17Å; V49-A143 HydrophobicContact CG2-CB 4.42Å |
| 50 | S | 92 | Very high | 91.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73 | -22.3 | -172.5 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | H46 V47 E52 L53 | H46-S50 PolarHBondContact CD2-OG 3.05Å; H46-S50 WeakPolarHBondContact O-CB 3.21Å; H46-S50 PolarHBondContact O-N 3.01Å; H46-S50 PolarHBondContact O-OG 3.14Å; V47-S50 PolarHBondContact O-N 3.11Å; S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 3.46Å; S50-L53 PolarHBondContact O-N 3.21Å |
| 51 | H | 88.8 | Confident | 91.8 | Very high | 115 Ų | 115 | 37 Ų | 37 | 53% | 0.532 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -35.5 | -178.1 | 176.5 | -106.6 | 0 | 0 | 0 | 113.7 | V47 V49 F61 | V47-H51 WeakPolarHBondContact O-CB 3.39Å; V47-H51 PolarHBondContact O-N 3.28Å; V49-H51 PolarHBondContact O-N 2.94Å; H51-F61 HydrophobicContact CB-CD1 4.34Å; H51-F61 HydrophobicContact CB-CE1 4.49Å |
| 52 | E | 85.3 | Confident | 92 | Very high | 131 Ų | 131 | 40.6 Ų | 40.6 | 61% | 0.612 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -14.8 | -178.9 | -56.8 | -156.5 | 165.4 | 0 | 0 | 114 | S50 K54 | S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 3.46Å; E52-K54 PolarHBondContact O-N 3.36Å |
| 53 | L | 92.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -81 | 122.6 | -175.1 | -59.3 | 177.4 | 0 | 0 | 0 | 111.2 | V49 S50 V58 Q60 Y111 V112 R115 F140 | V49-L53 HydrophobicContact CG1-CD1 4.02Å; V49-L53 WeakPolarHBondContact O-CG 3.27Å; S50-L53 PolarHBondContact O-N 3.21Å; L53-V58 HydrophobicContact CB-CG1 4.07Å; L53-V58 HydrophobicContact CD1-CG1 4.39Å; L53-Q60 PolarHBondContact O-NE2 3.3Å; L53-Q60 VanDerWaalsContact O-NE2 3.1Å; L53-Y111 HydrophobicContact CB-CE1 4.16Å; L53-Y111 HydrophobicContact CD2-CD1 4.23Å; L53-Y111 HydrophobicContact CD2-CE1 3.67Å; L53-V112 HydrophobicContact CD1-CG2 4.37Å; L53-R115 HydrophobicContact CD2-CB 4.37Å; L53-R115 HydrophobicContact CD2-CG 3.9Å; L53-F140 HydrophobicContact CD1-CD1 3.96Å; L53-F140 HydrophobicContact CD1-CE1 3.4Å; L53-F140 VanDerWaalsContact CD1-CE1 3.4Å; L53-F140 HydrophobicContact CD1-CE2 4.13Å; L53-F140 HydrophobicContact CD1-CZ 3.52Å | ||
| 54 | K | 92 | Very high | 92.4 | Very high | 130 Ų | 130 | 46.7 Ų | 46.7 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | trans | -139 | 93.8 | 179.7 | -59.5 | -174.4 | 179.6 | 166 | 0 | 109 | E52 Y111 | E52-K54 PolarHBondContact O-N 3.36Å; K54-Y111 PolarHBondContact N-OH 3.48Å; K54-Y111 VanDerWaalsContact N-OH 3.16Å; K54-Y111 PolarHBondContact O-OH 2.76Å; K54-Y111 VanDerWaalsContact O-OH 3.12Å | ||
| 55 | H | 94.1 | Very high | 92.5 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 21% | 0.208 | 21% | 0.213 | C | C | . | . | trans | -152.1 | 149.6 | -176.9 | -178 | -115.6 | 0 | 0 | 0 | 111.3 | N57 V58 R107 Y111 | H55-N57 VanDerWaalsContact C-N 3.26Å; H55-N57 PolarHBondContact ND1-N 2.89Å; H55-N57 PolarHBondContact O-N 2.97Å; H55-V58 HydrophobicContact CB-CB 4.27Å; H55-V58 HydrophobicContact CB-CG2 4.08Å; H55-V58 PolarHBondContact O-N 3.23Å; H55-V58 VanDerWaalsContact O-N 3.1Å; H55-V58 VanDerWaalsContact O-O 3.12Å; H55-R107 PolarHBondContact CE1-O 3.11Å; H55-R107 VanDerWaalsContact CE1-O 3.32Å; H55-Y111 HydrophobicContact CB-CD1 3.56Å; H55-Y111 HydrophobicContact CB-CD2 3.78Å; H55-Y111 HydrophobicContact CB-CE1 3.75Å; H55-Y111 HydrophobicContact CB-CE2 3.95Å; H55-Y111 HydrophobicContact CB-CG 3.57Å; H55-Y111 AromaticContact CD2-CD2 3.83Å; H55-Y111 AromaticContact CG-CD2 3.8Å; H55-Y111 AromaticContact CG-CG 3.6Å | ||
| 56 | K | 94 | Very high | 92.6 | Very high | 127 Ų | 127 | 52.7 Ų | 52.7 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -43.4 | -176.7 | -168 | -162.5 | 178.5 | -151.6 | 0 | 112.2 | T134 K136 | K56-T134 HydrophobicContact CD-CG2 4.17Å; K56-T134 HydrophobicContact CG-CG2 4.37Å; K56-T134 PolarHBondContact NZ-OG1 2.87Å; K56-K136 WeakPolarHBondContact O-CE 3.24Å; K56-K136 WeakPolarHBondContact O-CG 3.46Å; K56-K136 PolarHBondContact O-NZ 3.3Å |
| 57 | N | 95.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 22.3 | -177.3 | -57.4 | 105.4 | 0 | 0 | 0 | 113.5 | H55 D104 T134 V135 K136 L137 | H55-N57 VanDerWaalsContact C-N 3.26Å; H55-N57 PolarHBondContact ND1-N 2.89Å; H55-N57 PolarHBondContact O-N 2.97Å; N57-D104 VanDerWaalsContact CB-O 3.27Å; N57-D104 WeakPolarHBondContact CB-O 3.38Å; N57-D104 VanDerWaalsContact ND2-CB 3.28Å; N57-D104 WeakPolarHBondContact ND2-CB 3.26Å; N57-T134 WeakPolarHBondContact ND2-CG2 3.42Å; N57-V135 WeakPolarHBondContact CA-O 3.4Å; N57-V135 WeakPolarHBondContact CB-O 3.27Å; N57-V135 PolarHBondContact ND2-O 2.97Å; N57-K136 WeakPolarHBondContact O-CA 3.12Å; N57-L137 WeakPolarHBondContact O-CD1 3.35Å; N57-L137 PolarHBondContact O-N 3.05Å |
| 58 | V | 95.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -122.6 | 145.3 | 167.6 | 176 | 0 | 0 | 0 | 0 | 107.8 | L53 H55 Q60 Y111 V112 K136 F140 | L53-V58 HydrophobicContact CB-CG1 4.07Å; L53-V58 HydrophobicContact CD1-CG1 4.39Å; H55-V58 HydrophobicContact CB-CB 4.27Å; H55-V58 HydrophobicContact CB-CG2 4.08Å; H55-V58 PolarHBondContact O-N 3.23Å; H55-V58 VanDerWaalsContact O-N 3.1Å; H55-V58 VanDerWaalsContact O-O 3.12Å; V58-Q60 PolarHBondContact O-N 3.44Å; V58-Y111 HydrophobicContact CG2-CD1 4.25Å; V58-V112 HydrophobicContact CG2-CG2 4.15Å; V58-K136 PolarHBondContact O-NZ 2.97Å; V58-F140 HydrophobicContact CG1-CE2 3.77Å; V58-F140 HydrophobicContact CG1-CZ 3.65Å |
| 59 | L | 94.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | trans | -70.5 | 125.3 | 174.5 | -170.6 | 74.3 | 0 | 0 | 0 | 109.9 | F61 M75 E76 C78 L128 K136 L137 F138 | L59-F61 PolarHBondContact O-N 3.02Å; L59-M75 HydrophobicContact CD2-CB 4.08Å; L59-M75 HydrophobicContact CD2-CG 4.43Å; L59-M75 HydrophobicContact CD2-SD 3.74Å; L59-E76 HydrophobicContact CD1-CB 3.87Å; L59-E76 HydrophobicContact CD1-CG 4.31Å; L59-E76 HydrophobicContact CG-CB 4.38Å; L59-C78 WeakPolarHBondContact CD1-SG 3.28Å; L59-L128 HydrophobicContact CD1-CD1 4.36Å; L59-L128 HydrophobicContact CD2-CD1 4.18Å; L59-K136 HydrophobicContact CD1-CD 4.48Å; L59-L137 WeakPolarHBondContact CB-O 3.49Å; L59-L137 PolarHBondContact N-O 2.98Å; L59-F138 HydrophobicContact CB-CB 4.49Å; L59-F138 HydrophobicContact CD2-CB 4.47Å; L59-F138 HydrophobicContact CD2-CD2 3.43Å; L59-F138 VanDerWaalsContact CD2-CD2 3.43Å; L59-F138 HydrophobicContact CD2-CE2 4.03Å; L59-F138 HydrophobicContact CD2-CG 4.23Å | ||
| 60 | Q | 94.4 | Very high | 92.4 | Very high | 37 Ų | 37 | 62.3 Ų | 62.3 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | trans | -76.5 | 111 | -179.6 | -170.8 | 63 | 76.9 | 0 | 0 | 111.6 | L53 V58 Y62 M75 E76 | L53-Q60 PolarHBondContact O-NE2 3.3Å; L53-Q60 VanDerWaalsContact O-NE2 3.1Å; V58-Q60 PolarHBondContact O-N 3.44Å; Q60-Y62 HydrophobicContact CB-CE1 4.14Å; Q60-Y62 HydrophobicContact CG-CD1 3.95Å; Q60-Y62 HydrophobicContact CG-CE1 3.39Å; Q60-M75 CarbonylContact O-C 3.58Å; Q60-M75 WeakPolarHBondContact O-CA 3.44Å; Q60-E76 HydrophobicContact CB-CB 4.12Å; Q60-E76 PolarHBondContact N-OE2 2.88Å; Q60-E76 VanDerWaalsContact N-OE2 3.08Å; Q60-E76 PolarHBondContact O-N 3.42Å | ||
| 61 | F | 94.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 62.2 Ų | 62.2 | 4% | 0.044 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 147.7 | 161.7 | 178.2 | -94.1 | 0 | 0 | 0 | 110.8 | V47 H51 L59 E63 W64 L73 M75 | V47-F61 HydrophobicContact CG1-CE1 4.31Å; V47-F61 HydrophobicContact CG1-CE2 4.42Å; V47-F61 HydrophobicContact CG1-CZ 3.86Å; V47-F61 HydrophobicContact CG2-CE2 3.9Å; V47-F61 HydrophobicContact CG2-CZ 4.11Å; H51-F61 HydrophobicContact CB-CD1 4.34Å; H51-F61 HydrophobicContact CB-CE1 4.49Å; L59-F61 PolarHBondContact O-N 3.02Å; F61-E63 VanDerWaalsContact CZ-C 3.47Å; F61-W64 HydrophobicContact CE2-CB 4.13Å; F61-W64 HydrophobicContact CZ-CB 3.84Å; F61-W64 HydrophobicContact CZ-CG 4.2Å; F61-L73 HydrophobicContact CE2-CB 4.36Å; F61-L73 HydrophobicContact CE2-CD2 4.43Å; F61-M75 HydrophobicContact CD2-CG 4.39Å |
| 62 | Y | 93 | Very high | 92.8 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 31% | 0.314 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -58.1 | 177.8 | -62 | -54.2 | 0 | 0 | 0 | 114.1 | K28 L30 Q60 V74 E76 | K28-Y62 PolarHBondContact NZ-OH 3.29Å; L30-Y62 HydrophobicContact CD2-CD2 3.71Å; L30-Y62 HydrophobicContact CD2-CE2 3.44Å; L30-Y62 VanDerWaalsContact CD2-CE2 3.44Å; Q60-Y62 HydrophobicContact CB-CE1 4.14Å; Q60-Y62 HydrophobicContact CG-CD1 3.95Å; Q60-Y62 HydrophobicContact CG-CE1 3.39Å; Y62-V74 WeakPolarHBondContact CB-O 3.48Å; Y62-V74 PolarHBondContact N-O 2.85Å; Y62-E76 HydrophobicContact CE2-CB 4.31Å |
| 63 | E | 92.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 52 Ų | 52 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 155.8 | -170.8 | -68.2 | 174 | -178.1 | 0 | 0 | 109.3 | F4 R23 F61 Y65 V74 | F4-E63 WeakPolarHBondContact CZ-OE2 3.23Å; R23-E63 IonicContact CZ-OE1 3.97Å; R23-E63 VanDerWaalsContact CZ-OE1 3.23Å; R23-E63 IonicContact CZ-OE2 3.23Å; R23-E63 IonicContact NH1-OE1 2.71Å; R23-E63 PolarHBondContact NH1-OE1 2.83Å; R23-E63 IonicContact NH1-OE2 3.47Å; R23-E63 PolarHBondContact NH1-OE2 3.17Å; R23-E63 IonicContact NH2-OE1 2.65Å; R23-E63 PolarHBondContact NH2-OE1 2.59Å; R23-E63 IonicContact NH2-OE2 3.72Å; F61-E63 VanDerWaalsContact CZ-C 3.47Å; E63-Y65 HydrophobicContact CB-CE2 4.31Å; E63-Y65 PolarHBondContact OE2-OH 3.11Å; E63-Y65 VanDerWaalsContact OE2-OH 3.06Å; E63-V74 HydrophobicContact CB-CB 4.18Å; E63-V74 HydrophobicContact CB-CG2 4.24Å; E63-V74 PolarHBondContact N-O 2.98Å; E63-V74 WeakPolarHBondContact O-CA 3.41Å; E63-V74 WeakPolarHBondContact O-CB 3.17Å; E63-V74 PolarHBondContact O-N 3.02Å |
| 64 | W | 94 | Very high | 93.3 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 38% | 0.379 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 160.5 | 167.8 | 74.3 | -55.2 | 0 | 0 | 0 | 111.4 | V47 F61 L71 W72 | V47-W64 HydrophobicContact CG1-CD2 4.21Å; V47-W64 HydrophobicContact CG1-CG 4.12Å; V47-W64 HydrophobicContact CG2-CB 4.33Å; V47-W64 HydrophobicContact CG2-CD2 4.15Å; V47-W64 HydrophobicContact CG2-CE3 4.32Å; V47-W64 HydrophobicContact CG2-CG 4.15Å; F61-W64 HydrophobicContact CE2-CB 4.13Å; F61-W64 HydrophobicContact CZ-CB 3.84Å; F61-W64 HydrophobicContact CZ-CG 4.2Å; W64-L71 HydrophobicContact CZ3-CD2 4.3Å; W64-W72 CarbonylContact C-O 3.49Å; W64-W72 WeakPolarHBondContact CA-O 3.2Å; W64-W72 VanDerWaalsContact CB-O 3.27Å; W64-W72 WeakPolarHBondContact CB-O 3.38Å |
| 65 | Y | 92.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 24% | 0.235 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 141.3 | -179.9 | -61.2 | -83.9 | 0 | 0 | 0 | 111.1 | M1 F4 E63 W72 V74 | M1-Y65 HydrophobicContact SD-CD2 3.81Å; M1-Y65 HydrophobicContact SD-CG 4.33Å; F4-Y65 HydrophobicContact CD2-CE2 4.44Å; F4-Y65 AromaticContact CE2-CE2 3.61Å; F4-Y65 HydrophobicContact CE2-CE2 3.61Å; F4-Y65 HydrophobicContact CZ-CE2 4.39Å; E63-Y65 HydrophobicContact CB-CE2 4.31Å; E63-Y65 PolarHBondContact OE2-OH 3.11Å; E63-Y65 VanDerWaalsContact OE2-OH 3.06Å; Y65-W72 PolarHBondContact N-O 3.13Å; Y65-W72 PolarHBondContact O-N 2.94Å; Y65-V74 HydrophobicContact CD2-CG2 4.33Å; Y65-V74 HydrophobicContact CE2-CG2 4.14Å |
| 66 | E | 92.8 | Very high | 93.5 | Very high | 82 Ų | 82 | 46 Ų | 46 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140 | 163.8 | -176.1 | 164.8 | 179.5 | 0 | 0 | 109.7 | K37 R40 L71 | K37-E66 VanDerWaalsContact CE-OE1 3.25Å; K37-E66 WeakPolarHBondContact CE-OE1 3.13Å; K37-E66 IonicContact NZ-OE1 3.13Å; K37-E66 PolarHBondContact NZ-OE1 3.06Å; R40-E66 IonicContact CZ-OE1 3.11Å; R40-E66 IonicContact CZ-OE2 3.9Å; R40-E66 IonicContact NH1-OE1 2.97Å; R40-E66 PolarHBondContact NH1-OE1 3.18Å; R40-E66 IonicContact NH1-OE2 3.2Å; R40-E66 PolarHBondContact NH1-OE2 2.81Å; R40-E66 IonicContact NH2-OE1 2.84Å; R40-E66 IonicContact NH2-OE2 2.72Å; R40-E66 PolarHBondContact NH2-OE2 3.45Å; E66-L71 HydrophobicContact CB-CD2 3.98Å; E66-L71 HydrophobicContact CG-CD2 3.82Å |
| 67 | T | 91.7 | Very high | 93.5 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 29% | 0.288 | 20% | 0.204 | S | C | . | . | trans | -121.2 | -178.6 | 165.2 | 69.6 | 0 | 0 | 0 | 0 | 109.8 | M1 K37 N69 H70 W72 | M1-T67 HydrophobicContact CG-CG2 4.12Å; K37-T67 WeakPolarHBondContact CE-O 3.26Å; K37-T67 PolarHBondContact NZ-O 3.26Å; T67-N69 PolarHBondContact O-N 3.27Å; T67-N69 VanDerWaalsContact O-N 3.07Å; T67-H70 PolarHBondContact N-O 3.06Å; T67-H70 PolarHBondContact OG1-O 3.04Å; T67-W72 PolarHBondContact OG1-NE1 3.32Å; T67-W72 VanDerWaalsContact OG1-NE1 3.17Å | ||
| 68 | S | 89 | Confident | 93.4 | Very high | 99 Ų | 99 | 42.4 Ų | 42.4 | 69% | 0.692 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -54.1 | -32.8 | -176.1 | 60.4 | 0 | 0 | 0 | 0 | 114 | K37 | K37-S68 VanDerWaalsContact CE-O 3.29Å; K37-S68 WeakPolarHBondContact CE-O 3.27Å |
| 69 | N | 89.3 | Confident | 93.2 | Very high | 105 Ų | 105 | 45.4 Ų | 45.4 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -124.5 | -12.6 | -171.1 | -59.5 | 33 | 0 | 0 | 0 | 114.2 | T67 | T67-N69 PolarHBondContact O-N 3.27Å; T67-N69 VanDerWaalsContact O-N 3.07Å |
| 70 | H | 93.1 | Very high | 92.9 | Very high | 68 Ų | 68 | 46.7 Ų | 46.7 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152.5 | -168.3 | -56.9 | 100.4 | 0 | 0 | 0 | 112.9 | A35 T67 W72 | A35-H70 CarbonylContact O-C 3.57Å; A35-H70 VanDerWaalsContact O-CA 3.27Å; A35-H70 WeakPolarHBondContact O-CA 3.27Å; A35-H70 WeakPolarHBondContact O-CB 3.24Å; T67-H70 PolarHBondContact N-O 3.06Å; T67-H70 PolarHBondContact OG1-O 3.04Å; H70-W72 HydrophobicContact CB-CZ2 4.36Å |
| 71 | L | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140.5 | 166 | -58.7 | 175.6 | 0 | 0 | 0 | 109.1 | C34 A35 R40 I43 W64 E66 | C34-L71 CarbonylContact C-O 3.46Å; C34-L71 WeakPolarHBondContact CA-O 3.19Å; A35-L71 PolarHBondContact N-O 3.47Å; A35-L71 PolarHBondContact O-N 2.66Å; R40-L71 HydrophobicContact CB-CD1 4.23Å; R40-L71 HydrophobicContact CG-CD1 4.43Å; I43-L71 HydrophobicContact CB-CD1 4.06Å; I43-L71 HydrophobicContact CG1-CD1 4.42Å; I43-L71 HydrophobicContact CG2-CB 4.26Å; I43-L71 HydrophobicContact CG2-CD1 3.82Å; W64-L71 HydrophobicContact CZ3-CD2 4.3Å; E66-L71 HydrophobicContact CB-CD2 3.98Å; E66-L71 HydrophobicContact CG-CD2 3.82Å |
| 72 | W | 94.9 | Very high | 92.7 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 13% | 0.125 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.6 | -175.2 | -57.5 | 78.9 | 0 | 0 | 0 | 111.1 | M1 L6 Y19 V32 A33 C34 W64 Y65 T67 H70 | M1-W72 HydrophobicContact CE-CD2 4.01Å; M1-W72 HydrophobicContact CE-CE3 3.66Å; M1-W72 HydrophobicContact CE-CG 4.45Å; M1-W72 HydrophobicContact CE-CZ3 4.12Å; M1-W72 HydrophobicContact CG-CB 4.33Å; M1-W72 HydrophobicContact CG-CD2 3.91Å; M1-W72 HydrophobicContact CG-CG 3.81Å; M1-W72 HydrophobicContact SD-CB 3.6Å; M1-W72 VanDerWaalsContact SD-CB 3.6Å; M1-W72 HydrophobicContact SD-CD2 3.79Å; M1-W72 HydrophobicContact SD-CE3 4.02Å; M1-W72 HydrophobicContact SD-CG 3.62Å; L6-W72 HydrophobicContact CD1-CH2 4.38Å; L6-W72 HydrophobicContact CD1-CZ3 4.09Å; Y19-W72 HydrophobicContact CD2-CZ3 4.48Å; Y19-W72 HydrophobicContact CE2-CZ3 4.5Å; V32-W72 HydrophobicContact CG1-CE3 3.83Å; V32-W72 HydrophobicContact CG1-CZ3 4.43Å; A33-W72 CarbonylContact O-C 3.55Å; A33-W72 VanDerWaalsContact O-CA 3.24Å; A33-W72 WeakPolarHBondContact O-CA 3.48Å; C34-W72 HydrophobicContact CB-CD2 4.26Å; C34-W72 HydrophobicContact CB-CE3 3.73Å; C34-W72 HydrophobicContact CB-CH2 4.14Å; C34-W72 HydrophobicContact CB-CZ3 3.68Å; W64-W72 CarbonylContact C-O 3.49Å; W64-W72 WeakPolarHBondContact CA-O 3.2Å; W64-W72 VanDerWaalsContact CB-O 3.27Å; W64-W72 WeakPolarHBondContact CB-O 3.38Å; Y65-W72 PolarHBondContact N-O 3.13Å; Y65-W72 PolarHBondContact O-N 2.94Å; T67-W72 PolarHBondContact OG1-NE1 3.32Å; T67-W72 VanDerWaalsContact OG1-NE1 3.17Å; H70-W72 HydrophobicContact CB-CZ2 4.36Å |
| 73 | L | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.3 | -178.9 | -61.9 | 80.4 | 0 | 0 | 0 | 110 | V32 A33 I43 V47 F61 | V32-L73 CarbonylContact C-O 3.55Å; V32-L73 VanDerWaalsContact CA-O 3.27Å; V32-L73 WeakPolarHBondContact CA-O 3.34Å; A33-L73 HydrophobicContact CB-CB 4.37Å; A33-L73 PolarHBondContact N-O 3.48Å; A33-L73 PolarHBondContact O-N 3.09Å; I43-L73 HydrophobicContact CD1-CD1 4.04Å; I43-L73 HydrophobicContact CG2-CD1 3.83Å; I43-L73 HydrophobicContact CG2-CD2 4.35Å; I43-L73 HydrophobicContact CG2-CG 4.44Å; V47-L73 HydrophobicContact CG2-CD2 3.77Å; V47-L73 HydrophobicContact CG2-CG 4.25Å; F61-L73 HydrophobicContact CE2-CB 4.36Å; F61-L73 HydrophobicContact CE2-CD2 4.43Å |
| 74 | V | 94.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.5 | -177.9 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | F4 L30 V32 Y62 E63 Y65 | F4-V74 HydrophobicContact CE1-CG1 3.85Å; F4-V74 HydrophobicContact CE1-CG2 4.5Å; F4-V74 HydrophobicContact CE2-CG2 4.22Å; F4-V74 HydrophobicContact CZ-CG1 4.01Å; F4-V74 HydrophobicContact CZ-CG2 4.03Å; L30-V74 HydrophobicContact CB-CG1 4.36Å; L30-V74 HydrophobicContact CD1-CG1 3.82Å; V32-V74 HydrophobicContact CG2-CG1 4.19Å; V32-V74 HydrophobicContact CG2-CG2 4.23Å; Y62-V74 WeakPolarHBondContact CB-O 3.48Å; Y62-V74 PolarHBondContact N-O 2.85Å; E63-V74 HydrophobicContact CB-CB 4.18Å; E63-V74 HydrophobicContact CB-CG2 4.24Å; E63-V74 PolarHBondContact N-O 2.98Å; E63-V74 WeakPolarHBondContact O-CA 3.41Å; E63-V74 WeakPolarHBondContact O-CB 3.17Å; E63-V74 PolarHBondContact O-N 3.02Å; Y65-V74 HydrophobicContact CD2-CG2 4.33Å; Y65-V74 HydrophobicContact CE2-CG2 4.14Å |
| 75 | M | 94.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 170.4 | -169.2 | -59.3 | 179.8 | -71.4 | 0 | 0 | 112.1 | A31 A33 L59 Q60 F61 F138 | A31-M75 HydrophobicContact CB-CB 4.4Å; A31-M75 PolarHBondContact N-O 3.42Å; A31-M75 PolarHBondContact O-N 3.04Å; A33-M75 HydrophobicContact CB-CE 3.92Å; L59-M75 HydrophobicContact CD2-CB 4.08Å; L59-M75 HydrophobicContact CD2-CG 4.43Å; L59-M75 HydrophobicContact CD2-SD 3.74Å; Q60-M75 CarbonylContact O-C 3.58Å; Q60-M75 WeakPolarHBondContact O-CA 3.44Å; F61-M75 HydrophobicContact CD2-CG 4.39Å; M75-F138 HydrophobicContact CE-CE2 4.06Å; M75-F138 HydrophobicContact SD-CE2 4.05Å |
| 76 | E | 94.2 | Very high | 92.4 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | trans | -57.2 | 141 | 166.5 | -179.2 | 177.2 | -157.7 | 0 | 0 | 112 | A31 L59 Q60 Y62 C78 K136 | A31-E76 WeakPolarHBondContact CB-O 3.45Å; L59-E76 HydrophobicContact CD1-CB 3.87Å; L59-E76 HydrophobicContact CD1-CG 4.31Å; L59-E76 HydrophobicContact CG-CB 4.38Å; Q60-E76 HydrophobicContact CB-CB 4.12Å; Q60-E76 PolarHBondContact N-OE2 2.88Å; Q60-E76 VanDerWaalsContact N-OE2 3.08Å; Q60-E76 PolarHBondContact O-N 3.42Å; Y62-E76 HydrophobicContact CE2-CB 4.31Å; E76-C78 PolarHBondContact O-N 3.34Å; E76-K136 WeakPolarHBondContact OE1-CE 3.35Å; E76-K136 IonicContact OE1-NZ 3.45Å; E76-K136 PolarHBondContact OE1-NZ 2.95Å; E76-K136 WeakPolarHBondContact OE2-CE 3.45Å; E76-K136 IonicContact OE2-NZ 3.56Å; E76-K136 PolarHBondContact OE2-NZ 3.4Å | ||
| 77 | L | 94.5 | Very high | 92.4 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | trans | -90.6 | 104 | 178.1 | -179.2 | 60.4 | 0 | 0 | 0 | 110.7 | I10 K20 A31 T79 | I10-L77 HydrophobicContact CD1-CD1 3.46Å; I10-L77 VanDerWaalsContact CD1-CD1 3.46Å; K20-L77 HydrophobicContact CG-CD2 4.17Å; A31-L77 HydrophobicContact CB-CD1 4.29Å; L77-T79 HydrophobicContact CD2-CG2 4.21Å; L77-T79 HydrophobicContact CG-CG2 3.93Å | ||
| 78 | C | 93.4 | Very high | 92.3 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 10% | 0.101 | 23% | 0.229 | C | C | . | . | trans | -84.7 | 127.4 | 167.3 | -71.1 | 0 | 0 | 0 | 0 | 110.1 | L59 E76 L128 L129 K136 | L59-C78 WeakPolarHBondContact CD1-SG 3.28Å; E76-C78 PolarHBondContact O-N 3.34Å; C78-L128 HydrophobicContact CB-CB 3.75Å; C78-L128 HydrophobicContact CB-CD1 4.2Å; C78-L129 WeakPolarHBondContact CB-O 3.49Å; C78-K136 VanDerWaalsContact SG-CD 3.56Å | ||
| 79 | T | 92.1 | Very high | 92.3 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | trans | -110.9 | 0.7 | -173.4 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | L77 L129 G131 S1187 | L77-T79 HydrophobicContact CD2-CG2 4.21Å; L77-T79 HydrophobicContact CG-CG2 3.93Å; T79-L129 PolarHBondContact N-O 2.86Å; T79-G131 WeakPolarHBondContact OG1-CA 3.49Å; T79-S1187 WeakPolarHBondContact CB-OG 3.3Å; T79-S1187 PolarHBondContact O-OG 3.15Å; T79-S1187 PolarHBondContact OG1-OG 3.09Å | ||
| 80 | G | 88.5 | Confident | 92.2 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 36% | 0.361 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -95.2 | 9.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L129 | G80-L129 WeakPolarHBondContact CA-O 3.18Å; G80-L129 PolarHBondContact N-O 3.22Å |
| 81 | G | 90.4 | Very high | 91.7 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | trans | 73 | -166.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L128 L129 | G81-L128 WeakPolarHBondContact O-CA 3.17Å; G81-L129 PolarHBondContact O-N 3.14Å | ||
| 82 | S | 92.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -92.9 | 154.7 | 173.9 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | E84 Q85 V86 F127 | S82-E84 PolarHBondContact O-N 2.93Å; S82-Q85 WeakPolarHBondContact O-CB 3.21Å; S82-Q85 PolarHBondContact O-N 2.82Å; S82-Q85 PolarHBondContact OG-N 3.11Å; S82-V86 PolarHBondContact O-N 3.4Å; S82-F127 CarbonylContact C-O 3.5Å; S82-F127 VanDerWaalsContact CA-O 3.28Å; S82-F127 WeakPolarHBondContact CA-O 3.43Å |
| 83 | L | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -27.2 | 176.4 | -177.1 | 60.4 | 0 | 0 | 0 | 111.6 | V86 I87 L93 F101 I105 P124 F127 L129 L201 M205 | L83-V86 HydrophobicContact CD1-CB 4.42Å; L83-V86 PolarHBondContact O-N 3.05Å; L83-I87 HydrophobicContact CG-CD1 4.21Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.03Å; L83-I87 PolarHBondContact O-N 2.99Å; L83-L93 HydrophobicContact CD1-CD1 4.47Å; L83-F101 HydrophobicContact CD1-CD2 3.85Å; L83-F101 HydrophobicContact CD1-CE2 4.16Å; L83-I105 HydrophobicContact CD2-CD1 3.96Å; L83-P124 WeakPolarHBondContact CB-O 3.12Å; L83-P124 PolarHBondContact N-O 3Å; L83-F127 HydrophobicContact CB-CB 3.83Å; L83-F127 HydrophobicContact CD2-CB 4.12Å; L83-F127 HydrophobicContact CD2-CD2 4.23Å; L83-F127 HydrophobicContact CD2-CG 4.28Å; L83-F127 PolarHBondContact N-O 3.49Å; L83-L129 HydrophobicContact CB-CD1 4.27Å; L83-L201 HydrophobicContact CD2-CD1 4.11Å; L83-L201 HydrophobicContact CD2-CD2 4.43Å; L83-M205 HydrophobicContact CD1-CG 4.49Å; L83-M205 HydrophobicContact CD1-SD 4.06Å; L83-M205 HydrophobicContact CD2-CG 4.48Å; L83-M205 HydrophobicContact CD2-SD 4Å; L83-M205 HydrophobicContact CG-SD 4.49Å |
| 84 | E | 92.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 34% | 0.341 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 170 | -153.8 | -157.3 | -178.2 | 0 | 0 | 112.3 | S82 I87 K88 P124 | S82-E84 PolarHBondContact O-N 2.93Å; E84-I87 PolarHBondContact O-N 3.3Å; E84-K88 HydrophobicContact CG-CD 4.37Å; E84-K88 WeakPolarHBondContact O-CB 3.38Å; E84-K88 WeakPolarHBondContact O-CD 3.43Å; E84-K88 VanDerWaalsContact O-CG 3.25Å; E84-K88 WeakPolarHBondContact O-CG 3.26Å; E84-K88 PolarHBondContact O-N 3.32Å; E84-K88 WeakPolarHBondContact OE1-CE 3.19Å; E84-K88 IonicContact OE1-NZ 3.56Å; E84-K88 PolarHBondContact OE1-NZ 3.17Å; E84-K88 IonicContact OE2-NZ 2.85Å; E84-K88 PolarHBondContact OE2-NZ 3.33Å; E84-P124 HydrophobicContact CB-CB 3.79Å; E84-P124 HydrophobicContact CG-CB 3.97Å; E84-P124 PolarHBondContact N-O 3.28Å |
| 85 | Q | 90.7 | Very high | 90.7 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.4 | -176.6 | 179.3 | -5.5 | 0 | 0 | 110.8 | S82 I87 K88 E89 | S82-Q85 WeakPolarHBondContact O-CB 3.21Å; S82-Q85 PolarHBondContact O-N 2.82Å; S82-Q85 PolarHBondContact OG-N 3.11Å; Q85-I87 PolarHBondContact O-N 3.45Å; Q85-K88 PolarHBondContact O-N 3.02Å; Q85-K88 VanDerWaalsContact O-N 3.16Å; Q85-E89 HydrophobicContact CG-CG 4.32Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.44Å; Q85-E89 PolarHBondContact NE2-OE1 3.05Å; Q85-E89 WeakPolarHBondContact O-CB 3.22Å; Q85-E89 WeakPolarHBondContact O-CG 3.31Å; Q85-E89 PolarHBondContact O-N 3.3Å |
| 86 | V | 92.2 | Very high | 90.6 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | S82 L83 K88 E89 D90 L93 F101 L129 | S82-V86 PolarHBondContact O-N 3.4Å; L83-V86 HydrophobicContact CD1-CB 4.42Å; L83-V86 PolarHBondContact O-N 3.05Å; V86-K88 PolarHBondContact O-N 3.07Å; V86-E89 PolarHBondContact O-N 3.21Å; V86-D90 WeakPolarHBondContact O-CB 3.33Å; V86-D90 PolarHBondContact O-N 3.02Å; V86-L93 HydrophobicContact CG1-CD1 4.34Å; V86-L93 HydrophobicContact CG1-CD2 4.07Å; V86-F101 HydrophobicContact CG1-CE2 4.29Å; V86-L129 HydrophobicContact CG2-CD1 3.96Å; V86-L129 HydrophobicContact CG2-CD2 4.27Å |
| 87 | I | 91.9 | Very high | 90.5 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.5 | -63.6 | 167.4 | 0 | 0 | 0 | 111.3 | L83 E84 Q85 R91 L93 P124 M205 | L83-I87 HydrophobicContact CG-CD1 4.21Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.03Å; L83-I87 PolarHBondContact O-N 2.99Å; E84-I87 PolarHBondContact O-N 3.3Å; Q85-I87 PolarHBondContact O-N 3.45Å; I87-R91 WeakPolarHBondContact O-CA 3.29Å; I87-R91 PolarHBondContact O-N 2.92Å; I87-L93 HydrophobicContact CG1-CD1 4.38Å; I87-P124 HydrophobicContact CD1-CB 4.16Å; I87-P124 HydrophobicContact CD1-CG 4.49Å; I87-M205 HydrophobicContact CD1-CB 4.48Å; I87-M205 HydrophobicContact CD1-CG 3.68Å; I87-M205 HydrophobicContact CG1-CG 4.1Å |
| 88 | K | 88.9 | Confident | 90.5 | Very high | 132 Ų | 132 | 52.8 Ų | 52.8 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.4 | -36.3 | 177.2 | -75.7 | 167.2 | -179.8 | 168.7 | 0 | 113.1 | E84 Q85 V86 | E84-K88 HydrophobicContact CG-CD 4.37Å; E84-K88 WeakPolarHBondContact O-CB 3.38Å; E84-K88 WeakPolarHBondContact O-CD 3.43Å; E84-K88 VanDerWaalsContact O-CG 3.25Å; E84-K88 WeakPolarHBondContact O-CG 3.26Å; E84-K88 PolarHBondContact O-N 3.32Å; E84-K88 WeakPolarHBondContact OE1-CE 3.19Å; E84-K88 IonicContact OE1-NZ 3.56Å; E84-K88 PolarHBondContact OE1-NZ 3.17Å; E84-K88 IonicContact OE2-NZ 2.85Å; E84-K88 PolarHBondContact OE2-NZ 3.33Å; Q85-K88 PolarHBondContact O-N 3.02Å; Q85-K88 VanDerWaalsContact O-N 3.16Å; V86-K88 PolarHBondContact O-N 3.07Å |
| 89 | E | 89 | Confident | 90.5 | Very high | 134 Ų | 134 | 53.2 Ų | 53.2 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -80.7 | -51.1 | -177.8 | -72.1 | 179.9 | -174.2 | 0 | 0 | 112.2 | Q85 V86 R91 | Q85-E89 HydrophobicContact CG-CG 4.32Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.44Å; Q85-E89 PolarHBondContact NE2-OE1 3.05Å; Q85-E89 WeakPolarHBondContact O-CB 3.22Å; Q85-E89 WeakPolarHBondContact O-CG 3.31Å; Q85-E89 PolarHBondContact O-N 3.3Å; V86-E89 PolarHBondContact O-N 3.21Å; E89-R91 VanDerWaalsContact C-N 3.34Å |
| 90 | D | 87.6 | Confident | 90.5 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -77.7 | -17.8 | -179.3 | -76.7 | -30.8 | 0 | 0 | 0 | 113.3 | V86 F92 L93 S1182 | V86-D90 WeakPolarHBondContact O-CB 3.33Å; V86-D90 PolarHBondContact O-N 3.02Å; D90-F92 PolarHBondContact O-N 3.45Å; D90-L93 HydrophobicContact CB-CD2 3.69Å; D90-L93 WeakPolarHBondContact OD2-CD2 3.49Å; D90-S1182 VanDerWaalsContact OD1-CA 3.32Å; D90-S1182 WeakPolarHBondContact OD1-CA 3.2Å; D90-S1182 WeakPolarHBondContact OD1-CB 3.28Å; D90-S1182 WeakPolarHBondContact OD2-CB 3.48Å |
| 91 | R | 83.4 | Confident | 90.8 | Very high | 143 Ų | 143 | 53 Ų | 53 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 60.7 | -36.1 | -171.9 | -60.3 | -172.7 | 177.4 | -168.6 | 0.9 | 116.7 | I87 E89 G208 H509 | I87-R91 WeakPolarHBondContact O-CA 3.29Å; I87-R91 PolarHBondContact O-N 2.92Å; E89-R91 VanDerWaalsContact C-N 3.34Å; R91-G208 WeakPolarHBondContact O-CA 3.46Å; R91-H509 PolarHBondContact NH2-CE1 2.88Å; R91-H509 PolarHBondContact NH2-NE2 3.17Å |
| 92 | F | 83.4 | Confident | 91.1 | Very high | 96 Ų | 96 | 51.9 Ų | 51.9 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -151.9 | 126.3 | 176.4 | 44.5 | -97.2 | 0 | 0 | 0 | 110.6 | D90 F206 | D90-F92 PolarHBondContact O-N 3.45Å; F92-F206 WeakPolarHBondContact CB-O 3.25Å |
| 93 | L | 89.7 | Confident | 91.2 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | trans | -91.7 | 130.5 | -179.5 | -55.6 | -178.7 | 0 | 0 | 0 | 110.2 | L83 V86 I87 D90 V97 V98 F101 M205 | L83-L93 HydrophobicContact CD1-CD1 4.47Å; V86-L93 HydrophobicContact CG1-CD1 4.34Å; V86-L93 HydrophobicContact CG1-CD2 4.07Å; I87-L93 HydrophobicContact CG1-CD1 4.38Å; D90-L93 HydrophobicContact CB-CD2 3.69Å; D90-L93 WeakPolarHBondContact OD2-CD2 3.49Å; L93-V97 HydrophobicContact CB-CB 4.36Å; L93-V97 HydrophobicContact CB-CG1 4.17Å; L93-V97 HydrophobicContact CD1-CG1 4.22Å; L93-V97 HydrophobicContact CD2-CG1 4.43Å; L93-V98 HydrophobicContact CB-CG2 3.91Å; L93-V98 WeakPolarHBondContact O-CG2 3.27Å; L93-F101 HydrophobicContact CD1-CD2 3.95Å; L93-F101 HydrophobicContact CD1-CE2 3.97Å; L93-M205 WeakPolarHBondContact CA-O 3.43Å; L93-M205 VanDerWaalsContact CB-O 3.26Å; L93-M205 WeakPolarHBondContact CB-O 3.49Å; L93-M205 HydrophobicContact CD1-CB 4.14Å; L93-M205 HydrophobicContact CD1-CG 3.96Å; L93-M205 HydrophobicContact CD1-SD 4.03Å; L93-M205 PolarHBondContact N-O 3.46Å | ||
| 94 | S | 91.1 | Very high | 91.3 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | trans | -59.6 | 148.2 | 176 | 74.3 | 0 | 0 | 0 | 0 | 111.5 | N96 V97 V98 | S94-N96 PolarHBondContact O-N 3.47Å; S94-V97 WeakPolarHBondContact O-CA 3.37Å; S94-V97 WeakPolarHBondContact O-CB 3.5Å; S94-V97 PolarHBondContact O-N 3.32Å; S94-V98 PolarHBondContact O-N 2.99Å | ||
| 95 | E | 91.5 | Very high | 91.5 | Very high | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.3 | -32 | -175.5 | -164.7 | -177.2 | 123.7 | 0 | 0 | 113.5 | V98 R99 F206 S241 F244 F270 | E95-V98 PolarHBondContact O-N 2.69Å; E95-R99 VanDerWaalsContact O-CB 3.23Å; E95-R99 WeakPolarHBondContact O-CB 3.43Å; E95-R99 PolarHBondContact O-N 3.07Å; E95-R99 IonicContact OE1-CZ 3.05Å; E95-R99 IonicContact OE1-NH2 3.8Å; E95-R99 PolarHBondContact OE1-NH2 3.03Å; E95-F206 HydrophobicContact CB-CE2 4.14Å; E95-S241 WeakPolarHBondContact OE1-CB 3.1Å; E95-S241 PolarHBondContact OE1-OG 3.06Å; E95-S241 WeakPolarHBondContact OE2-CB 3.32Å; E95-S241 PolarHBondContact OE2-N 3.33Å; E95-S241 PolarHBondContact OE2-OG 3.29Å; E95-F244 HydrophobicContact CG-CB 4.16Å; E95-F244 HydrophobicContact CG-CD1 4.48Å; E95-F244 HydrophobicContact CG-CG 4.19Å; E95-F270 HydrophobicContact CG-CE2 3.6Å; E95-F270 HydrophobicContact CG-CZ 4.15Å; E95-F270 WeakPolarHBondContact OE1-CE2 3.5Å |
| 96 | N | 91.7 | Very high | 91.7 | Very high | 104 Ų | 104 | 45 Ų | 45 | 56% | 0.556 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -68.1 | -31.5 | 175.7 | -70.6 | -23.8 | 0 | 0 | 0 | 113.5 | S94 R99 K100 | S94-N96 PolarHBondContact O-N 3.47Å; N96-R99 PolarHBondContact OD1-NH1 2.87Å; N96-K100 PolarHBondContact O-N 3.02Å |
| 97 | V | 92.8 | Very high | 91.8 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76.9 | -45.3 | 173.5 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | L93 S94 R99 K100 F101 | L93-V97 HydrophobicContact CB-CB 4.36Å; L93-V97 HydrophobicContact CB-CG1 4.17Å; L93-V97 HydrophobicContact CD1-CG1 4.22Å; L93-V97 HydrophobicContact CD2-CG1 4.43Å; S94-V97 WeakPolarHBondContact O-CA 3.37Å; S94-V97 WeakPolarHBondContact O-CB 3.5Å; S94-V97 PolarHBondContact O-N 3.32Å; V97-R99 PolarHBondContact O-N 2.96Å; V97-K100 WeakPolarHBondContact O-CA 3.39Å; V97-K100 WeakPolarHBondContact O-CB 3.44Å; V97-K100 PolarHBondContact O-N 3.41Å; V97-F101 HydrophobicContact CG1-CD2 3.72Å; V97-F101 HydrophobicContact CG1-CE1 4.49Å; V97-F101 HydrophobicContact CG1-CE2 3.45Å; V97-F101 VanDerWaalsContact CG1-CE2 3.45Å; V97-F101 HydrophobicContact CG1-CG 4.35Å; V97-F101 HydrophobicContact CG1-CZ 3.88Å; V97-F101 PolarHBondContact O-N 3.08Å |
| 98 | V | 94.1 | Very high | 92 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.7 | -40.7 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | L93 S94 E95 K100 G102 M205 F206 F244 | L93-V98 HydrophobicContact CB-CG2 3.91Å; L93-V98 WeakPolarHBondContact O-CG2 3.27Å; S94-V98 PolarHBondContact O-N 2.99Å; E95-V98 PolarHBondContact O-N 2.69Å; V98-K100 PolarHBondContact O-N 3.38Å; V98-G102 WeakPolarHBondContact O-CA 3.5Å; V98-G102 PolarHBondContact O-N 3.3Å; V98-M205 HydrophobicContact CG1-CB 4.36Å; V98-M205 HydrophobicContact CG1-CE 4.19Å; V98-M205 HydrophobicContact CG2-CB 4.04Å; V98-F206 HydrophobicContact CG2-CB 4.36Å; V98-F206 HydrophobicContact CG2-CD2 4.48Å; V98-F244 HydrophobicContact CG1-CE2 3.79Å; V98-F244 HydrophobicContact CG1-CZ 3.87Å |
| 99 | R | 94.2 | Very high | 92.3 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -27.6 | 174.7 | -164.1 | -174.7 | -59.8 | 127 | 8.1 | 113.8 | E95 N96 V97 A103 F270 W271 | E95-R99 VanDerWaalsContact O-CB 3.23Å; E95-R99 WeakPolarHBondContact O-CB 3.43Å; E95-R99 PolarHBondContact O-N 3.07Å; E95-R99 IonicContact OE1-CZ 3.05Å; E95-R99 IonicContact OE1-NH2 3.8Å; E95-R99 PolarHBondContact OE1-NH2 3.03Å; N96-R99 PolarHBondContact OD1-NH1 2.87Å; V97-R99 PolarHBondContact O-N 2.96Å; R99-A103 WeakPolarHBondContact O-CB 3.2Å; R99-A103 PolarHBondContact O-N 2.88Å; R99-F270 HydrophobicContact CB-CE1 3.81Å; R99-F270 HydrophobicContact CB-CE2 4.38Å; R99-F270 HydrophobicContact CB-CZ 3.62Å; R99-F270 WeakPolarHBondContact CD-O 3.4Å; R99-F270 HydrophobicContact CG-CD1 4.17Å; R99-F270 HydrophobicContact CG-CE1 3.74Å; R99-F270 HydrophobicContact CG-CE2 4.5Å; R99-F270 HydrophobicContact CG-CZ 3.93Å; R99-F270 PolarHBondContact NE-O 3.03Å; R99-W271 HydrophobicContact CG-CE3 3.99Å; R99-W271 HydrophobicContact CG-CZ3 4.37Å |
| 100 | K | 93 | Very high | 92.6 | Very high | 78 Ų | 78 | 34.7 Ų | 34.7 | 34% | 0.339 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -74.5 | -57.2 | 173.5 | -170.3 | -156.2 | 179.5 | -159.5 | 0 | 110.1 | N96 V97 V98 A103 D104 G133 | N96-K100 PolarHBondContact O-N 3.02Å; V97-K100 WeakPolarHBondContact O-CA 3.39Å; V97-K100 WeakPolarHBondContact O-CB 3.44Å; V97-K100 PolarHBondContact O-N 3.41Å; V98-K100 PolarHBondContact O-N 3.38Å; K100-A103 PolarHBondContact O-N 3.48Å; K100-D104 PolarHBondContact O-N 3.28Å; K100-G133 PolarHBondContact NZ-O 2.97Å |
| 101 | F | 95 | Very high | 92.9 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | -177.7 | -66.3 | -16.7 | 0 | 0 | 0 | 111.7 | L83 V86 L93 V97 A103 D104 I105 L129 V135 M205 | L83-F101 HydrophobicContact CD1-CD2 3.85Å; L83-F101 HydrophobicContact CD1-CE2 4.16Å; V86-F101 HydrophobicContact CG1-CE2 4.29Å; L93-F101 HydrophobicContact CD1-CD2 3.95Å; L93-F101 HydrophobicContact CD1-CE2 3.97Å; V97-F101 HydrophobicContact CG1-CD2 3.72Å; V97-F101 HydrophobicContact CG1-CE1 4.49Å; V97-F101 HydrophobicContact CG1-CE2 3.45Å; V97-F101 VanDerWaalsContact CG1-CE2 3.45Å; V97-F101 HydrophobicContact CG1-CG 4.35Å; V97-F101 HydrophobicContact CG1-CZ 3.88Å; V97-F101 PolarHBondContact O-N 3.08Å; F101-A103 VanDerWaalsContact C-N 3.32Å; F101-A103 PolarHBondContact O-N 2.87Å; F101-D104 WeakPolarHBondContact O-CB 3.38Å; F101-D104 PolarHBondContact O-N 3.16Å; F101-I105 WeakPolarHBondContact O-CD1 3.45Å; F101-I105 VanDerWaalsContact O-CG1 3.25Å; F101-I105 WeakPolarHBondContact O-CG1 3.4Å; F101-I105 PolarHBondContact O-N 2.95Å; F101-L129 HydrophobicContact CE1-CD2 3.98Å; F101-L129 HydrophobicContact CE2-CD2 4.4Å; F101-L129 HydrophobicContact CZ-CD2 3.74Å; F101-V135 HydrophobicContact CB-CG2 3.8Å; F101-V135 HydrophobicContact CD1-CG2 3.5Å; F101-V135 VanDerWaalsContact CD1-CG2 3.5Å; F101-V135 HydrophobicContact CE1-CG2 4.23Å; F101-V135 HydrophobicContact CG-CG2 3.75Å; F101-M205 HydrophobicContact CB-SD 4.06Å; F101-M205 HydrophobicContact CD2-SD 4.18Å |
| 102 | G | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -36.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V98 I105 V106 | V98-G102 WeakPolarHBondContact O-CA 3.5Å; V98-G102 PolarHBondContact O-N 3.3Å; G102-I105 PolarHBondContact O-N 3.32Å; G102-V106 WeakPolarHBondContact O-CB 3.46Å; G102-V106 VanDerWaalsContact O-CG2 3.25Å; G102-V106 WeakPolarHBondContact O-CG2 3.38Å; G102-V106 PolarHBondContact O-N 3.43Å |
| 103 | A | 94.6 | Very high | 94 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.2 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R99 K100 F101 R107 W271 I275 | R99-A103 WeakPolarHBondContact O-CB 3.2Å; R99-A103 PolarHBondContact O-N 2.88Å; K100-A103 PolarHBondContact O-N 3.48Å; F101-A103 VanDerWaalsContact C-N 3.32Å; F101-A103 PolarHBondContact O-N 2.87Å; A103-R107 WeakPolarHBondContact O-CG 3.29Å; A103-R107 PolarHBondContact O-N 3.21Å; A103-R107 VanDerWaalsContact O-N 3.07Å; A103-R107 PolarHBondContact O-NH1 2.64Å; A103-W271 HydrophobicContact CB-CE3 3.98Å; A103-W271 HydrophobicContact CB-CZ3 4.02Å; A103-W271 VanDerWaalsContact N-CZ3 3.33Å; A103-I275 HydrophobicContact CB-CD1 4.17Å; A103-I275 HydrophobicContact CB-CG1 3.84Å |
| 104 | D | 95.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 173.5 | -81.9 | 3.9 | 0 | 0 | 0 | 111.8 | N57 K100 F101 R107 G108 T134 V135 | N57-D104 VanDerWaalsContact CB-O 3.27Å; N57-D104 WeakPolarHBondContact CB-O 3.38Å; N57-D104 VanDerWaalsContact ND2-CB 3.28Å; N57-D104 WeakPolarHBondContact ND2-CB 3.26Å; K100-D104 PolarHBondContact O-N 3.28Å; F101-D104 WeakPolarHBondContact O-CB 3.38Å; F101-D104 PolarHBondContact O-N 3.16Å; D104-R107 PolarHBondContact O-N 3.07Å; D104-R107 IonicContact OD1-CZ 2.75Å; D104-R107 IonicContact OD1-NH1 3.7Å; D104-R107 PolarHBondContact OD1-NH1 3.45Å; D104-G108 PolarHBondContact O-N 3.25Å; D104-T134 WeakPolarHBondContact OD2-CA 3.21Å; D104-T134 WeakPolarHBondContact OD2-CG2 3.31Å; D104-V135 HydrophobicContact CB-CB 3.94Å; D104-V135 HydrophobicContact CB-CG2 4.34Å; D104-V135 PolarHBondContact OD2-N 3.42Å |
| 105 | I | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 175.1 | -66.5 | 159.9 | 0 | 0 | 0 | 110.9 | L83 F101 G102 R107 G108 L109 F127 V135 L198 L201 F202 M205 | L83-I105 HydrophobicContact CD2-CD1 3.96Å; F101-I105 WeakPolarHBondContact O-CD1 3.45Å; F101-I105 VanDerWaalsContact O-CG1 3.25Å; F101-I105 WeakPolarHBondContact O-CG1 3.4Å; F101-I105 PolarHBondContact O-N 2.95Å; G102-I105 PolarHBondContact O-N 3.32Å; I105-R107 PolarHBondContact O-N 3.01Å; I105-G108 PolarHBondContact O-N 3.47Å; I105-G108 VanDerWaalsContact O-N 3.12Å; I105-L109 WeakPolarHBondContact O-CB 3.45Å; I105-L109 PolarHBondContact O-N 3.48Å; I105-F127 HydrophobicContact CB-CE1 4.39Å; I105-F127 HydrophobicContact CD1-CD1 4.39Å; I105-F127 HydrophobicContact CD1-CE1 4.44Å; I105-F127 HydrophobicContact CG1-CD1 3.9Å; I105-F127 HydrophobicContact CG1-CE1 3.94Å; I105-F127 HydrophobicContact CG2-CD1 4.47Å; I105-F127 HydrophobicContact CG2-CE1 3.66Å; I105-F127 HydrophobicContact CG2-CZ 4.09Å; I105-V135 HydrophobicContact CD1-CG1 4.29Å; I105-V135 HydrophobicContact CG1-CB 4.29Å; I105-V135 HydrophobicContact CG1-CG1 3.74Å; I105-L198 HydrophobicContact CB-CD1 4.42Å; I105-L198 HydrophobicContact CG2-CD1 3.42Å; I105-L198 VanDerWaalsContact CG2-CD1 3.42Å; I105-L201 HydrophobicContact CD1-CD2 3.87Å; I105-F202 HydrophobicContact CD1-CE1 4.49Å; I105-M205 HydrophobicContact CD1-CE 4.11Å |
| 106 | V | 95.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.03 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 179.9 | 169.1 | 0 | 0 | 0 | 0 | 111.8 | G102 R110 L198 F202 L265 I266 W271 I275 | G102-V106 WeakPolarHBondContact O-CB 3.46Å; G102-V106 VanDerWaalsContact O-CG2 3.25Å; G102-V106 WeakPolarHBondContact O-CG2 3.38Å; G102-V106 PolarHBondContact O-N 3.43Å; V106-R110 VanDerWaalsContact O-CB 3.25Å; V106-R110 WeakPolarHBondContact O-CB 3.34Å; V106-R110 PolarHBondContact O-N 3.5Å; V106-L198 HydrophobicContact CG2-CD2 3.74Å; V106-F202 HydrophobicContact CG2-CZ 4.15Å; V106-L265 HydrophobicContact CG1-CD2 4.42Å; V106-L265 HydrophobicContact CG1-CG 4.42Å; V106-L265 HydrophobicContact CG2-CD2 4.25Å; V106-L265 HydrophobicContact CG2-CG 4.44Å; V106-I266 HydrophobicContact CG1-CG1 4.29Å; V106-W271 HydrophobicContact CG2-CH2 4.3Å; V106-W271 HydrophobicContact CG2-CZ2 4.01Å; V106-I275 HydrophobicContact CB-CD1 3.98Å; V106-I275 HydrophobicContact CG1-CD1 3.75Å |
| 107 | R | 94.8 | Very high | 94.3 | Very high | 46 Ų | 46 | 25.5 Ų | 25.5 | 17% | 0.174 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 172.9 | -72.1 | -169.3 | -135.5 | 85.4 | 0.2 | 112.3 | H55 A103 D104 I105 Y111 R274 I275 D279 | H55-R107 PolarHBondContact CE1-O 3.11Å; H55-R107 VanDerWaalsContact CE1-O 3.32Å; A103-R107 WeakPolarHBondContact O-CG 3.29Å; A103-R107 PolarHBondContact O-N 3.21Å; A103-R107 VanDerWaalsContact O-N 3.07Å; A103-R107 PolarHBondContact O-NH1 2.64Å; D104-R107 PolarHBondContact O-N 3.07Å; D104-R107 IonicContact OD1-CZ 2.75Å; D104-R107 IonicContact OD1-NH1 3.7Å; D104-R107 PolarHBondContact OD1-NH1 3.45Å; I105-R107 PolarHBondContact O-N 3.01Å; R107-Y111 PolarHBondContact O-N 3.5Å; R107-Y111 VanDerWaalsContact O-N 3.13Å; R107-R274 PolarHBondContact NH2-O 3.21Å; R107-I275 HydrophobicContact CG-CG2 4.11Å; R107-D279 VanDerWaalsContact CD-OD2 3.29Å; R107-D279 WeakPolarHBondContact CD-OD2 3.35Å; R107-D279 IonicContact NE-OD2 2.73Å; R107-D279 PolarHBondContact NE-OD2 3.3Å |
| 108 | G | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | D104 I105 Y111 V112 | D104-G108 PolarHBondContact O-N 3.25Å; I105-G108 PolarHBondContact O-N 3.47Å; I105-G108 VanDerWaalsContact O-N 3.12Å; G108-Y111 WeakPolarHBondContact O-CB 3.38Å; G108-Y111 PolarHBondContact O-N 3.38Å; G108-V112 WeakPolarHBondContact O-CG2 3.45Å; G108-V112 PolarHBondContact O-N 3.41Å; G108-V112 VanDerWaalsContact O-N 3.12Å |
| 109 | L | 95.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | -180 | -169.9 | 64.7 | 0 | 0 | 0 | 111.8 | I105 Y111 V112 H113 F119 L122 L137 D194 Y195 | I105-L109 WeakPolarHBondContact O-CB 3.45Å; I105-L109 PolarHBondContact O-N 3.48Å; L109-Y111 VanDerWaalsContact C-N 3.28Å; L109-Y111 PolarHBondContact O-N 3.5Å; L109-V112 PolarHBondContact O-N 3.45Å; L109-V112 VanDerWaalsContact O-N 3.13Å; L109-H113 WeakPolarHBondContact O-CB 3.46Å; L109-H113 VanDerWaalsContact O-CG 3.32Å; L109-H113 PolarHBondContact O-N 3.23Å; L109-F119 HydrophobicContact CD1-CB 3.85Å; L109-L122 HydrophobicContact CD1-CD2 4.17Å; L109-L122 HydrophobicContact CD2-CD2 4.17Å; L109-L137 HydrophobicContact CB-CD2 4.48Å; L109-L137 HydrophobicContact CD1-CD2 4.44Å; L109-D194 HydrophobicContact CD1-CB 4.25Å; L109-D194 HydrophobicContact CD2-CB 4.3Å; L109-Y195 HydrophobicContact CD2-CD1 4Å; L109-Y195 HydrophobicContact CD2-CE1 3.96Å |
| 110 | R | 94.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 23.7 Ų | 23.7 | 13% | 0.128 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.7 | -42.5 | 170.2 | 161.4 | 160.6 | 166.2 | -146.1 | -2.2 | 112.2 | V106 S114 E262 S276 V277 S280 | V106-R110 VanDerWaalsContact O-CB 3.25Å; V106-R110 WeakPolarHBondContact O-CB 3.34Å; V106-R110 PolarHBondContact O-N 3.5Å; R110-S114 VanDerWaalsContact O-CB 3.24Å; R110-S114 WeakPolarHBondContact O-CB 3.49Å; R110-S114 PolarHBondContact O-N 3.08Å; R110-S114 PolarHBondContact O-OG 3.15Å; R110-E262 VanDerWaalsContact CB-OE1 3.32Å; R110-E262 WeakPolarHBondContact CB-OE1 3.32Å; R110-E262 VanDerWaalsContact CD-OE1 3.28Å; R110-E262 WeakPolarHBondContact CD-OE1 3.19Å; R110-E262 WeakPolarHBondContact CG-OE1 3.45Å; R110-S276 PolarHBondContact NH1-O 3.01Å; R110-S276 VanDerWaalsContact NH1-O 3.1Å; R110-V277 PolarHBondContact NH2-O 3.36Å; R110-S280 PolarHBondContact NH2-OG 2.88Å |
| 111 | Y | 95.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 21.9 Ų | 21.9 | 14% | 0.137 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.9 | -179.8 | -91.8 | 0 | 0 | 0 | 111.8 | L53 K54 H55 V58 R107 G108 L109 S114 R115 | L53-Y111 HydrophobicContact CB-CE1 4.16Å; L53-Y111 HydrophobicContact CD2-CD1 4.23Å; L53-Y111 HydrophobicContact CD2-CE1 3.67Å; K54-Y111 PolarHBondContact N-OH 3.48Å; K54-Y111 VanDerWaalsContact N-OH 3.16Å; K54-Y111 PolarHBondContact O-OH 2.76Å; K54-Y111 VanDerWaalsContact O-OH 3.12Å; H55-Y111 HydrophobicContact CB-CD1 3.56Å; H55-Y111 HydrophobicContact CB-CD2 3.78Å; H55-Y111 HydrophobicContact CB-CE1 3.75Å; H55-Y111 HydrophobicContact CB-CE2 3.95Å; H55-Y111 HydrophobicContact CB-CG 3.57Å; H55-Y111 AromaticContact CD2-CD2 3.83Å; H55-Y111 AromaticContact CG-CD2 3.8Å; H55-Y111 AromaticContact CG-CG 3.6Å; V58-Y111 HydrophobicContact CG2-CD1 4.25Å; R107-Y111 PolarHBondContact O-N 3.5Å; R107-Y111 VanDerWaalsContact O-N 3.13Å; G108-Y111 WeakPolarHBondContact O-CB 3.38Å; G108-Y111 PolarHBondContact O-N 3.38Å; L109-Y111 VanDerWaalsContact C-N 3.28Å; L109-Y111 PolarHBondContact O-N 3.5Å; Y111-S114 PolarHBondContact O-N 3.12Å; Y111-S114 PolarHBondContact O-OG 3.29Å; Y111-R115 HydrophobicContact CE1-CG 4.39Å; Y111-R115 PolarHBondContact O-N 2.81Å; Y111-R115 PolarHBondContact OH-NH2 3.47Å; Y111-R115 VanDerWaalsContact OH-NH2 3.08Å |
| 112 | V | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.6 | -48.6 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 111 | L53 V58 G108 L109 S114 R115 V117 F119 L137 F140 | L53-V112 HydrophobicContact CD1-CG2 4.37Å; V58-V112 HydrophobicContact CG2-CG2 4.15Å; G108-V112 WeakPolarHBondContact O-CG2 3.45Å; G108-V112 PolarHBondContact O-N 3.41Å; G108-V112 VanDerWaalsContact O-N 3.12Å; L109-V112 PolarHBondContact O-N 3.45Å; L109-V112 VanDerWaalsContact O-N 3.13Å; V112-S114 VanDerWaalsContact C-N 3.3Å; V112-S114 PolarHBondContact O-N 3.49Å; V112-R115 WeakPolarHBondContact O-CB 3.24Å; V112-R115 PolarHBondContact O-N 3.1Å; V112-V117 CarbonylContact C-O 3.59Å; V112-V117 HydrophobicContact CG1-CB 3.76Å; V112-V117 HydrophobicContact CG1-CG1 3.63Å; V112-V117 PolarHBondContact O-N 2.86Å; V112-F119 HydrophobicContact CG1-CB 4.33Å; V112-L137 HydrophobicContact CG2-CD2 4.08Å; V112-F140 HydrophobicContact CG1-CE1 4.18Å; V112-F140 HydrophobicContact CG2-CE1 3.81Å; V112-F140 HydrophobicContact CG2-CZ 4.12Å |
| 113 | H | 94.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.8 | -38.6 | 174.8 | -72.7 | -171.8 | 0 | 0 | 0 | 112.6 | L109 R115 G116 V117 K191 D194 Y195 | L109-H113 WeakPolarHBondContact O-CB 3.46Å; L109-H113 VanDerWaalsContact O-CG 3.32Å; L109-H113 PolarHBondContact O-N 3.23Å; H113-R115 PolarHBondContact O-N 2.93Å; H113-G116 PolarHBondContact O-N 3.01Å; H113-G116 VanDerWaalsContact O-N 3.08Å; H113-V117 PolarHBondContact CD2-O 3.19Å; H113-K191 HydrophobicContact CB-CD 3.88Å; H113-K191 HydrophobicContact CB-CG 4.22Å; H113-K191 WeakPolarHBondContact NE2-CA 3.49Å; H113-K191 PolarHBondContact NE2-O 3.26Å; H113-K191 WeakPolarHBondContact O-CE 3.4Å; H113-D194 WeakPolarHBondContact NE2-CB 3.49Å; H113-Y195 AromaticContact CE1-CE1 3.23Å; H113-Y195 WeakPolarHBondContact CE1-CE1 3.45Å; H113-Y195 AromaticContact CE1-CZ 2.89Å; H113-Y195 PolarHBondContact CE1-OH 3.21Å; H113-Y195 AromaticContact ND1-CE1 3.66Å; H113-Y195 AromaticContact ND1-CZ 3.55Å; H113-Y195 PolarHBondContact ND1-OH 3.08Å; H113-Y195 AromaticContact NE2-CD1 3.3Å; H113-Y195 VanDerWaalsContact NE2-CD1 3.3Å; H113-Y195 WeakPolarHBondContact NE2-CD1 3.43Å; H113-Y195 AromaticContact NE2-CE1 2.72Å; H113-Y195 WeakPolarHBondContact NE2-CE1 3.32Å; H113-Y195 AromaticContact NE2-CE2 3.87Å; H113-Y195 AromaticContact NE2-CZ 3.04Å; H113-Y195 PolarHBondContact NE2-OH 3.36Å |
| 114 | S | 93.1 | Very high | 93.2 | Very high | 76 Ų | 76 | 22.8 Ų | 22.8 | 53% | 0.531 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -9 | 176.8 | 75.2 | 0 | 0 | 0 | 0 | 114.3 | R110 Y111 V112 | R110-S114 VanDerWaalsContact O-CB 3.24Å; R110-S114 WeakPolarHBondContact O-CB 3.49Å; R110-S114 PolarHBondContact O-N 3.08Å; R110-S114 PolarHBondContact O-OG 3.15Å; Y111-S114 PolarHBondContact O-N 3.12Å; Y111-S114 PolarHBondContact O-OG 3.29Å; V112-S114 VanDerWaalsContact C-N 3.3Å; V112-S114 PolarHBondContact O-N 3.49Å |
| 115 | R | 92.9 | Very high | 92.9 | Very high | 127 Ų | 127 | 24.3 Ų | 24.3 | 48% | 0.479 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 6 | 171 | -64.3 | -60.7 | -159.7 | 140.9 | 13.9 | 113.5 | L53 Y111 V112 H113 V117 | L53-R115 HydrophobicContact CD2-CB 4.37Å; L53-R115 HydrophobicContact CD2-CG 3.9Å; Y111-R115 HydrophobicContact CE1-CG 4.39Å; Y111-R115 PolarHBondContact O-N 2.81Å; Y111-R115 PolarHBondContact OH-NH2 3.47Å; Y111-R115 VanDerWaalsContact OH-NH2 3.08Å; V112-R115 WeakPolarHBondContact O-CB 3.24Å; V112-R115 PolarHBondContact O-N 3.1Å; H113-R115 PolarHBondContact O-N 2.93Å; R115-V117 VanDerWaalsContact C-N 3.26Å; R115-V117 HydrophobicContact CB-CG2 4.38Å |
| 116 | G | 91.6 | Very high | 92.7 | Very high | 26 Ų | 26 | 24.8 Ų | 24.8 | 27% | 0.268 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 13.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | H113 A145 E146 | H113-G116 PolarHBondContact O-N 3.01Å; H113-G116 VanDerWaalsContact O-N 3.08Å; G116-A145 CarbonylContact O-C 3.6Å; G116-A145 VanDerWaalsContact O-CA 3.31Å; G116-A145 WeakPolarHBondContact O-CA 3.26Å; G116-E146 PolarHBondContact O-N 2.9Å |
| 117 | V | 92.9 | Very high | 92.7 | Very high | 19 Ų | 19 | 24.6 Ų | 24.6 | 12% | 0.115 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.9 | -178.4 | 177 | 0 | 0 | 0 | 0 | 109.9 | V49 V112 H113 R115 A143 H144 | V49-V117 HydrophobicContact CG1-CG1 3.95Å; V49-V117 HydrophobicContact CG1-CG2 4.45Å; V112-V117 CarbonylContact C-O 3.59Å; V112-V117 HydrophobicContact CG1-CB 3.76Å; V112-V117 HydrophobicContact CG1-CG1 3.63Å; V112-V117 PolarHBondContact O-N 2.86Å; H113-V117 PolarHBondContact CD2-O 3.19Å; R115-V117 VanDerWaalsContact C-N 3.26Å; R115-V117 HydrophobicContact CB-CG2 4.38Å; V117-A143 HydrophobicContact CG1-CB 3.99Å; V117-H144 CarbonylContact C-O 3.59Å; V117-H144 WeakPolarHBondContact CA-O 3.3Å |
| 118 | V | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.7 | 162.4 | -174.7 | 0 | 0 | 0 | 0 | 107 | N120 A143 H144 E146 D194 | V118-N120 HydrophobicContact CG1-CB 4.28Å; V118-A143 VanDerWaalsContact O-CA 3.31Å; V118-A143 WeakPolarHBondContact O-CA 3.47Å; V118-A143 WeakPolarHBondContact O-CB 3.27Å; V118-H144 PolarHBondContact N-O 3.23Å; V118-H144 PolarHBondContact O-N 3.48Å; V118-E146 HydrophobicContact CG2-CG 3.69Å; V118-D194 WeakPolarHBondContact CG1-OD2 3.37Å |
| 119 | F | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -72.2 | -37.3 | -178.5 | -177 | -92.1 | 0 | 0 | 0 | 111.5 | L109 V112 L122 R126 L137 F138 F140 D194 | L109-F119 HydrophobicContact CD1-CB 3.85Å; V112-F119 HydrophobicContact CG1-CB 4.33Å; F119-L122 HydrophobicContact CD1-CG 3.86Å; F119-L122 HydrophobicContact CE1-CG 4.31Å; F119-R126 HydrophobicContact CE1-CB 4.22Å; F119-R126 HydrophobicContact CZ-CB 4.15Å; F119-L137 HydrophobicContact CD2-CD2 3.86Å; F119-L137 HydrophobicContact CE2-CB 3.97Å; F119-L137 HydrophobicContact CE2-CD2 3.98Å; F119-L137 HydrophobicContact CE2-CG 4.16Å; F119-L137 HydrophobicContact CG-CD2 4.43Å; F119-L137 HydrophobicContact CZ-CB 4.45Å; F119-L137 HydrophobicContact CZ-CG 4.49Å; F119-F138 WeakPolarHBondContact CZ-O 3.37Å; F119-F140 AromaticContact CD2-CD1 3.91Å; F119-F140 HydrophobicContact CD2-CD1 3.91Å; F119-F140 AromaticContact CD2-CE1 3.56Å; F119-F140 HydrophobicContact CD2-CE1 3.56Å; F119-F140 HydrophobicContact CD2-CZ 4.19Å; F119-F140 AromaticContact CE2-CD1 3.95Å; F119-F140 HydrophobicContact CE2-CD1 3.95Å; F119-F140 AromaticContact CE2-CE1 3.66Å; F119-F140 HydrophobicContact CE2-CE1 3.66Å; F119-F140 HydrophobicContact CE2-CE2 4.42Å; F119-F140 HydrophobicContact CE2-CG 4.47Å; F119-F140 AromaticContact CE2-CZ 3.9Å; F119-F140 HydrophobicContact CE2-CZ 3.9Å; F119-D194 WeakPolarHBondContact CA-OD2 3.35Å; F119-D194 WeakPolarHBondContact CB-OD2 3.42Å; F119-D194 PolarHBondContact N-OD2 2.67Å | ||
| 120 | N | 87.6 | Confident | 92.5 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 6% | 0.064 | 13% | 0.129 | C | C | . | . | trans | 64.8 | 117.8 | 171.5 | -171.3 | 19.4 | 0 | 0 | 0 | 114.5 | V118 R126 L142 L150 N189 D194 | V118-N120 HydrophobicContact CG1-CB 4.28Å; N120-R126 PolarHBondContact O-NH1 3.07Å; N120-L142 WeakPolarHBondContact CB-O 3.23Å; N120-L142 PolarHBondContact ND2-O 2.7Å; N120-L150 WeakPolarHBondContact ND2-CD2 3.48Å; N120-N189 PolarHBondContact OD1-ND2 3.11Å; N120-D194 WeakPolarHBondContact CA-OD1 3.33Å; N120-D194 PolarHBondContact N-OD1 3.16Å; N120-D194 PolarHBondContact N-OD2 3.35Å | ||
| 121 | R | 85.9 | Confident | 92.1 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 16% | 0.155 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 58.8 | 82.2 | -179.7 | -179.6 | 175.6 | -73.9 | 162.3 | -7.2 | 112.7 | L123 R126 L172 V174 D179 | R121-L123 HydrophobicContact CG-CD1 4.27Å; R121-L123 HydrophobicContact CG-CD2 4.13Å; R121-L123 HydrophobicContact CG-CG 4.04Å; R121-L123 PolarHBondContact O-N 2.69Å; R121-R126 WeakPolarHBondContact O-CD 3.11Å; R121-R126 PolarHBondContact O-NH1 2.82Å; R121-L172 PolarHBondContact NH1-O 3.16Å; R121-V174 PolarHBondContact NH2-O 3.17Å; R121-D179 WeakPolarHBondContact CG-OD1 3.4Å; R121-D179 IonicContact CZ-OD1 3.15Å; R121-D179 IonicContact CZ-OD2 2.95Å; R121-D179 IonicContact NE-OD1 3.54Å; R121-D179 PolarHBondContact NE-OD1 3Å; R121-D179 IonicContact NE-OD2 2.73Å; R121-D179 PolarHBondContact NE-OD2 3.42Å; R121-D179 VanDerWaalsContact NE-OD2 3.11Å; R121-D179 IonicContact NH2-OD1 2.7Å; R121-D179 IonicContact NH2-OD2 3.89Å; R121-D179 PolarHBondContact NH2-OD2 3.22Å |
| 122 | L | 92.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -80.6 | 110.1 | 175.9 | -58.5 | 87.4 | 0 | 0 | 0 | 110.5 | L109 F119 F127 Y178 D194 | L109-L122 HydrophobicContact CD1-CD2 4.17Å; L109-L122 HydrophobicContact CD2-CD2 4.17Å; F119-L122 HydrophobicContact CD1-CG 3.86Å; F119-L122 HydrophobicContact CE1-CG 4.31Å; L122-F127 HydrophobicContact CB-CE2 4.32Å; L122-F127 HydrophobicContact CB-CZ 4.11Å; L122-F127 HydrophobicContact CD2-CZ 3.9Å; L122-F127 HydrophobicContact CG-CZ 4.41Å; L122-Y178 WeakPolarHBondContact O-CB 3.29Å; L122-D194 VanDerWaalsContact CD1-CA 3.41Å; L122-D194 HydrophobicContact CD1-CB 3.66Å; L122-D194 WeakPolarHBondContact CD1-O 3.45Å; L122-D194 VanDerWaalsContact CD1-OD1 3.23Å; L122-D194 WeakPolarHBondContact CD1-OD1 3.47Å | ||
| 123 | L | 92 | Very high | 91.4 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 18% | 0.183 | 17% | 0.174 | C | C | . | . | trans | -110.1 | 150.3 | 176.6 | -57.5 | 173.7 | 0 | 0 | 0 | 109.9 | R121 S125 R126 F127 S176 Y178 | R121-L123 HydrophobicContact CG-CD1 4.27Å; R121-L123 HydrophobicContact CG-CD2 4.13Å; R121-L123 HydrophobicContact CG-CG 4.04Å; R121-L123 PolarHBondContact O-N 2.69Å; L123-S125 WeakPolarHBondContact CB-OG 3.33Å; L123-S125 PolarHBondContact O-N 3.15Å; L123-R126 HydrophobicContact CB-CG 4.29Å; L123-R126 WeakPolarHBondContact O-CB 3.47Å; L123-R126 PolarHBondContact O-N 3.03Å; L123-F127 WeakPolarHBondContact O-CD2 3.25Å; L123-F127 WeakPolarHBondContact O-CE2 3.23Å; L123-S176 WeakPolarHBondContact CD2-OG 3.28Å; L123-Y178 HydrophobicContact CD2-CD2 3.62Å; L123-Y178 HydrophobicContact CD2-CE2 4.39Å; L123-Y178 HydrophobicContact CD2-CG 4.1Å | ||
| 124 | P | 92.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -59.3 | -21.9 | 176.3 | -19.4 | 29.2 | 0 | 0 | 0 | 113.9 | L83 E84 I87 R126 Y178 L201 | L83-P124 WeakPolarHBondContact CB-O 3.12Å; L83-P124 PolarHBondContact N-O 3Å; E84-P124 HydrophobicContact CB-CB 3.79Å; E84-P124 HydrophobicContact CG-CB 3.97Å; E84-P124 PolarHBondContact N-O 3.28Å; I87-P124 HydrophobicContact CD1-CB 4.16Å; I87-P124 HydrophobicContact CD1-CG 4.49Å; P124-R126 VanDerWaalsContact C-N 3.35Å; P124-Y178 HydrophobicContact CG-CE1 3.91Å; P124-Y178 HydrophobicContact CG-CE2 4.44Å; P124-Y178 WeakPolarHBondContact CG-OH 3.29Å; P124-L201 HydrophobicContact CB-CD1 3.93Å; P124-L201 HydrophobicContact CG-CD1 3.73Å |
| 125 | S | 89.7 | Confident | 91.6 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 31% | 0.308 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -72.1 | -24.4 | 173.2 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | L123 F127 | L123-S125 WeakPolarHBondContact CB-OG 3.33Å; L123-S125 PolarHBondContact O-N 3.15Å; S125-F127 PolarHBondContact O-N 3.05Å |
| 126 | R | 92 | Very high | 91.8 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -82.2 | 14.6 | 179.2 | -68.8 | -168.2 | 162.3 | 175.4 | -16.2 | 114.1 | F119 N120 R121 L123 P124 F138 D139 S141 | F119-R126 HydrophobicContact CE1-CB 4.22Å; F119-R126 HydrophobicContact CZ-CB 4.15Å; N120-R126 PolarHBondContact O-NH1 3.07Å; R121-R126 WeakPolarHBondContact O-CD 3.11Å; R121-R126 PolarHBondContact O-NH1 2.82Å; L123-R126 HydrophobicContact CB-CG 4.29Å; L123-R126 WeakPolarHBondContact O-CB 3.47Å; L123-R126 PolarHBondContact O-N 3.03Å; P124-R126 VanDerWaalsContact C-N 3.35Å; R126-F138 WeakPolarHBondContact CB-O 3.04Å; R126-F138 PolarHBondContact O-N 3.44Å; R126-D139 HydrophobicContact CG-CB 4.17Å; R126-D139 IonicContact CZ-OD2 2.72Å; R126-D139 IonicContact NE-OD2 3.77Å; R126-D139 PolarHBondContact NE-OD2 3.25Å; R126-D139 IonicContact NH2-OD2 3.79Å; R126-D139 PolarHBondContact NH2-OD2 3.25Å; R126-S141 PolarHBondContact NH2-OG 2.75Å |
| 127 | F | 95 | Very high | 92 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.1 | 174.7 | -55.9 | -82 | 0 | 0 | 0 | 110 | S82 L83 I105 L122 L123 S125 V135 K136 L137 L201 | S82-F127 CarbonylContact C-O 3.5Å; S82-F127 VanDerWaalsContact CA-O 3.28Å; S82-F127 WeakPolarHBondContact CA-O 3.43Å; L83-F127 HydrophobicContact CB-CB 3.83Å; L83-F127 HydrophobicContact CD2-CB 4.12Å; L83-F127 HydrophobicContact CD2-CD2 4.23Å; L83-F127 HydrophobicContact CD2-CG 4.28Å; L83-F127 PolarHBondContact N-O 3.49Å; I105-F127 HydrophobicContact CB-CE1 4.39Å; I105-F127 HydrophobicContact CD1-CD1 4.39Å; I105-F127 HydrophobicContact CD1-CE1 4.44Å; I105-F127 HydrophobicContact CG1-CD1 3.9Å; I105-F127 HydrophobicContact CG1-CE1 3.94Å; I105-F127 HydrophobicContact CG2-CD1 4.47Å; I105-F127 HydrophobicContact CG2-CE1 3.66Å; I105-F127 HydrophobicContact CG2-CZ 4.09Å; L122-F127 HydrophobicContact CB-CE2 4.32Å; L122-F127 HydrophobicContact CB-CZ 4.11Å; L122-F127 HydrophobicContact CD2-CZ 3.9Å; L122-F127 HydrophobicContact CG-CZ 4.41Å; L123-F127 WeakPolarHBondContact O-CD2 3.25Å; L123-F127 WeakPolarHBondContact O-CE2 3.23Å; S125-F127 PolarHBondContact O-N 3.05Å; F127-V135 HydrophobicContact CB-CG1 3.79Å; F127-V135 HydrophobicContact CD1-CG1 4.12Å; F127-V135 HydrophobicContact CG-CG1 4.32Å; F127-K136 CarbonylContact C-O 3.57Å; F127-K136 WeakPolarHBondContact CA-O 3.3Å; F127-L137 HydrophobicContact CD1-CD1 3.93Å; F127-L137 HydrophobicContact CD1-CG 4.19Å; F127-L137 HydrophobicContact CE1-CD1 3.71Å; F127-L137 HydrophobicContact CE1-CG 3.85Å; F127-L201 HydrophobicContact CD2-CD2 3.95Å; F127-L201 HydrophobicContact CE1-CD2 4.45Å; F127-L201 HydrophobicContact CE2-CD1 4.31Å; F127-L201 HydrophobicContact CE2-CD2 3.3Å; F127-L201 HydrophobicContact CE2-CG 4.42Å; F127-L201 HydrophobicContact CZ-CD2 3.58Å |
| 128 | L | 94.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 19.4 Ų | 19.4 | 9% | 0.089 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 151.3 | 176.5 | -58.5 | -179 | 0 | 0 | 0 | 110.7 | L59 C78 G81 K136 F138 | L59-L128 HydrophobicContact CD1-CD1 4.36Å; L59-L128 HydrophobicContact CD2-CD1 4.18Å; C78-L128 HydrophobicContact CB-CB 3.75Å; C78-L128 HydrophobicContact CB-CD1 4.2Å; G81-L128 WeakPolarHBondContact O-CA 3.17Å; L128-K136 PolarHBondContact N-O 3.22Å; L128-K136 PolarHBondContact O-N 3.07Å; L128-F138 HydrophobicContact CD1-CB 4Å; L128-F138 HydrophobicContact CD1-CD1 3.93Å; L128-F138 HydrophobicContact CD1-CD2 4.24Å; L128-F138 HydrophobicContact CD1-CG 3.78Å; L128-F138 HydrophobicContact CD2-CD1 4.29Å; L128-F138 HydrophobicContact CG-CB 3.91Å; L128-F138 HydrophobicContact CG-CD1 4Å; L128-F138 HydrophobicContact CG-CG 4.05Å |
| 129 | L | 95.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.8 | 176.1 | -68.1 | 87.7 | 0 | 0 | 0 | 111.1 | C78 T79 G80 G81 L83 V86 F101 T134 | C78-L129 WeakPolarHBondContact CB-O 3.49Å; T79-L129 PolarHBondContact N-O 2.86Å; G80-L129 WeakPolarHBondContact CA-O 3.18Å; G80-L129 PolarHBondContact N-O 3.22Å; G81-L129 PolarHBondContact O-N 3.14Å; L83-L129 HydrophobicContact CB-CD1 4.27Å; V86-L129 HydrophobicContact CG2-CD1 3.96Å; V86-L129 HydrophobicContact CG2-CD2 4.27Å; F101-L129 HydrophobicContact CE1-CD2 3.98Å; F101-L129 HydrophobicContact CE2-CD2 4.4Å; F101-L129 HydrophobicContact CZ-CD2 3.74Å; L129-T134 WeakPolarHBondContact CA-O 3.26Å |
| 130 | D | 92.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 20.2 Ų | 20.2 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | trans | -72.1 | 170.1 | 169.9 | 83.5 | -4.5 | 0 | 0 | 0 | 111.5 | N132 G133 T134 K136 | D130-N132 PolarHBondContact O-N 2.9Å; D130-N132 VanDerWaalsContact OD1-C 3.3Å; D130-N132 VanDerWaalsContact OD1-CA 3.28Å; D130-N132 WeakPolarHBondContact OD1-CA 3.21Å; D130-N132 VanDerWaalsContact OD1-CB 3.31Å; D130-N132 WeakPolarHBondContact OD1-CB 3.21Å; D130-N132 PolarHBondContact OD1-N 3.17Å; D130-N132 PolarHBondContact OD2-ND2 3.17Å; D130-N132 VanDerWaalsContact OD2-ND2 3.08Å; D130-G133 PolarHBondContact O-N 3.19Å; D130-G133 PolarHBondContact OD1-N 2.73Å; D130-T134 VanDerWaalsContact CG-CB 3.46Å; D130-T134 PolarHBondContact N-O 2.86Å; D130-T134 WeakPolarHBondContact OD1-CB 3.32Å; D130-T134 PolarHBondContact OD1-N 3.47Å; D130-T134 PolarHBondContact OD1-OG1 3.11Å; D130-T134 WeakPolarHBondContact OD2-CB 3.35Å; D130-T134 PolarHBondContact OD2-OG1 2.92Å; D130-K136 HydrophobicContact CB-CD 4.43Å | ||
| 131 | G | 85.5 | Confident | 91.7 | Very high | 36 Ų | 36 | 19.9 Ų | 19.9 | 37% | 0.371 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -6.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T79 | T79-G131 WeakPolarHBondContact OG1-CA 3.49Š|
| 132 | N | 87.9 | Confident | 91.9 | Very high | 130 Ų | 130 | 18.5 Ų | 18.5 | 70% | 0.695 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | 0.4 | 175.1 | -45.7 | -65.3 | 0 | 0 | 0 | 112.2 | D130 | D130-N132 PolarHBondContact O-N 2.9Å; D130-N132 VanDerWaalsContact OD1-C 3.3Å; D130-N132 VanDerWaalsContact OD1-CA 3.28Å; D130-N132 WeakPolarHBondContact OD1-CA 3.21Å; D130-N132 VanDerWaalsContact OD1-CB 3.31Å; D130-N132 WeakPolarHBondContact OD1-CB 3.21Å; D130-N132 PolarHBondContact OD1-N 3.17Å; D130-N132 PolarHBondContact OD2-ND2 3.17Å; D130-N132 VanDerWaalsContact OD2-ND2 3.08Å |
| 133 | G | 87.7 | Confident | 91.9 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 14% | 0.144 | 11% | 0.113 | C | C | . | . | trans | 67.9 | 32.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K100 D130 | K100-G133 PolarHBondContact NZ-O 2.97Å; D130-G133 PolarHBondContact O-N 3.19Å; D130-G133 PolarHBondContact OD1-N 2.73Å | ||
| 134 | T | 94.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 17.4 Ų | 17.4 | 5% | 0.049 | 11% | 0.107 | C | C | . | . | trans | -82.2 | 135.3 | 163.2 | -46 | 0 | 0 | 0 | 0 | 108.9 | K56 N57 D104 L129 D130 | K56-T134 HydrophobicContact CD-CG2 4.17Å; K56-T134 HydrophobicContact CG-CG2 4.37Å; K56-T134 PolarHBondContact NZ-OG1 2.87Å; N57-T134 WeakPolarHBondContact ND2-CG2 3.42Å; D104-T134 WeakPolarHBondContact OD2-CA 3.21Å; D104-T134 WeakPolarHBondContact OD2-CG2 3.31Å; L129-T134 WeakPolarHBondContact CA-O 3.26Å; D130-T134 VanDerWaalsContact CG-CB 3.46Å; D130-T134 PolarHBondContact N-O 2.86Å; D130-T134 WeakPolarHBondContact OD1-CB 3.32Å; D130-T134 PolarHBondContact OD1-N 3.47Å; D130-T134 PolarHBondContact OD1-OG1 3.11Å; D130-T134 WeakPolarHBondContact OD2-CB 3.35Å; D130-T134 PolarHBondContact OD2-OG1 2.92Å | ||
| 135 | V | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 137.5 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | N57 F101 D104 I105 F127 | N57-V135 WeakPolarHBondContact CA-O 3.4Å; N57-V135 WeakPolarHBondContact CB-O 3.27Å; N57-V135 PolarHBondContact ND2-O 2.97Å; F101-V135 HydrophobicContact CB-CG2 3.8Å; F101-V135 HydrophobicContact CD1-CG2 3.5Å; F101-V135 VanDerWaalsContact CD1-CG2 3.5Å; F101-V135 HydrophobicContact CE1-CG2 4.23Å; F101-V135 HydrophobicContact CG-CG2 3.75Å; D104-V135 HydrophobicContact CB-CB 3.94Å; D104-V135 HydrophobicContact CB-CG2 4.34Å; D104-V135 PolarHBondContact OD2-N 3.42Å; I105-V135 HydrophobicContact CD1-CG1 4.29Å; I105-V135 HydrophobicContact CG1-CB 4.29Å; I105-V135 HydrophobicContact CG1-CG1 3.74Å; F127-V135 HydrophobicContact CB-CG1 3.79Å; F127-V135 HydrophobicContact CD1-CG1 4.12Å; F127-V135 HydrophobicContact CG-CG1 4.32Å |
| 136 | K | 96.1 | Very high | 91.5 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 4% | 0.039 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 131.8 | 178.8 | -75.8 | 163.3 | 171.2 | -73.7 | 0 | 111.2 | K56 N57 V58 L59 E76 C78 F127 L128 D130 | K56-K136 WeakPolarHBondContact O-CE 3.24Å; K56-K136 WeakPolarHBondContact O-CG 3.46Å; K56-K136 PolarHBondContact O-NZ 3.3Å; N57-K136 WeakPolarHBondContact O-CA 3.12Å; V58-K136 PolarHBondContact O-NZ 2.97Å; L59-K136 HydrophobicContact CD1-CD 4.48Å; E76-K136 WeakPolarHBondContact OE1-CE 3.35Å; E76-K136 IonicContact OE1-NZ 3.45Å; E76-K136 PolarHBondContact OE1-NZ 2.95Å; E76-K136 WeakPolarHBondContact OE2-CE 3.45Å; E76-K136 IonicContact OE2-NZ 3.56Å; E76-K136 PolarHBondContact OE2-NZ 3.4Å; C78-K136 VanDerWaalsContact SG-CD 3.56Å; F127-K136 CarbonylContact C-O 3.57Å; F127-K136 WeakPolarHBondContact CA-O 3.3Å; L128-K136 PolarHBondContact N-O 3.22Å; L128-K136 PolarHBondContact O-N 3.07Å; D130-K136 HydrophobicContact CB-CD 4.43Å |
| 137 | L | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 135.8 | 169.7 | -82.4 | 62 | 0 | 0 | 0 | 110.1 | N57 L59 L109 V112 F119 F127 F140 | N57-L137 WeakPolarHBondContact O-CD1 3.35Å; N57-L137 PolarHBondContact O-N 3.05Å; L59-L137 WeakPolarHBondContact CB-O 3.49Å; L59-L137 PolarHBondContact N-O 2.98Å; L109-L137 HydrophobicContact CB-CD2 4.48Å; L109-L137 HydrophobicContact CD1-CD2 4.44Å; V112-L137 HydrophobicContact CG2-CD2 4.08Å; F119-L137 HydrophobicContact CD2-CD2 3.86Å; F119-L137 HydrophobicContact CE2-CB 3.97Å; F119-L137 HydrophobicContact CE2-CD2 3.98Å; F119-L137 HydrophobicContact CE2-CG 4.16Å; F119-L137 HydrophobicContact CG-CD2 4.43Å; F119-L137 HydrophobicContact CZ-CB 4.45Å; F119-L137 HydrophobicContact CZ-CG 4.49Å; F127-L137 HydrophobicContact CD1-CD1 3.93Å; F127-L137 HydrophobicContact CD1-CG 4.19Å; F127-L137 HydrophobicContact CE1-CD1 3.71Å; F127-L137 HydrophobicContact CE1-CG 3.85Å; L137-F140 HydrophobicContact CB-CZ 4.36Å |
| 138 | F | 90.5 | Very high | 90.6 | Very high | 14 Ų | 14 | 31 Ų | 31 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | trans | -138.9 | 157.4 | -177.7 | 166.4 | -118.2 | 0 | 0 | 0 | 110 | I18 L59 M75 F119 R126 L128 | I18-F138 HydrophobicContact CD1-CZ 4.17Å; L59-F138 HydrophobicContact CB-CB 4.49Å; L59-F138 HydrophobicContact CD2-CB 4.47Å; L59-F138 HydrophobicContact CD2-CD2 3.43Å; L59-F138 VanDerWaalsContact CD2-CD2 3.43Å; L59-F138 HydrophobicContact CD2-CE2 4.03Å; L59-F138 HydrophobicContact CD2-CG 4.23Å; M75-F138 HydrophobicContact CE-CE2 4.06Å; M75-F138 HydrophobicContact SD-CE2 4.05Å; F119-F138 WeakPolarHBondContact CZ-O 3.37Å; R126-F138 WeakPolarHBondContact CB-O 3.04Å; R126-F138 PolarHBondContact O-N 3.44Å; L128-F138 HydrophobicContact CD1-CB 4Å; L128-F138 HydrophobicContact CD1-CD1 3.93Å; L128-F138 HydrophobicContact CD1-CD2 4.24Å; L128-F138 HydrophobicContact CD1-CG 3.78Å; L128-F138 HydrophobicContact CD2-CD1 4.29Å; L128-F138 HydrophobicContact CG-CB 3.91Å; L128-F138 HydrophobicContact CG-CD1 4Å; L128-F138 HydrophobicContact CG-CG 4.05Å | ||
| 139 | D | 88.8 | Confident | 90.1 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | trans | 63.9 | 82 | -180 | -176.5 | 36.8 | 0 | 0 | 0 | 115.7 | H46 R126 S141 | H46-D139 IonicContact ND1-OD1 3.76Å; H46-D139 PolarHBondContact ND1-OD1 3.38Å; R126-D139 HydrophobicContact CG-CB 4.17Å; R126-D139 IonicContact CZ-OD2 2.72Å; R126-D139 IonicContact NE-OD2 3.77Å; R126-D139 PolarHBondContact NE-OD2 3.25Å; R126-D139 IonicContact NH2-OD2 3.79Å; R126-D139 PolarHBondContact NH2-OD2 3.25Å; D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 2.89Å; D139-S141 WeakPolarHBondContact OD1-CB 3.42Å; D139-S141 PolarHBondContact OD1-N 2.93Å; D139-S141 PolarHBondContact OD1-OG 2.76Å; D139-S141 PolarHBondContact OD2-OG 2.2Å | ||
| 140 | F | 92.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | trans | -86.5 | 20.2 | 173.6 | -66.1 | -90.4 | 0 | 0 | 0 | 113.4 | H46 V49 L53 V58 V112 F119 L137 L142 A143 | H46-F140 PolarHBondContact ND1-N 3.05Å; V49-F140 HydrophobicContact CB-CB 4.08Å; V49-F140 HydrophobicContact CG1-CB 3.99Å; V49-F140 HydrophobicContact CG1-CD1 3.63Å; V49-F140 HydrophobicContact CG1-CE1 4.43Å; V49-F140 HydrophobicContact CG1-CG 4.02Å; L53-F140 HydrophobicContact CD1-CD1 3.96Å; L53-F140 HydrophobicContact CD1-CE1 3.4Å; L53-F140 VanDerWaalsContact CD1-CE1 3.4Å; L53-F140 HydrophobicContact CD1-CE2 4.13Å; L53-F140 HydrophobicContact CD1-CZ 3.52Å; V58-F140 HydrophobicContact CG1-CE2 3.77Å; V58-F140 HydrophobicContact CG1-CZ 3.65Å; V112-F140 HydrophobicContact CG1-CE1 4.18Å; V112-F140 HydrophobicContact CG2-CE1 3.81Å; V112-F140 HydrophobicContact CG2-CZ 4.12Å; F119-F140 AromaticContact CD2-CD1 3.91Å; F119-F140 HydrophobicContact CD2-CD1 3.91Å; F119-F140 AromaticContact CD2-CE1 3.56Å; F119-F140 HydrophobicContact CD2-CE1 3.56Å; F119-F140 HydrophobicContact CD2-CZ 4.19Å; F119-F140 AromaticContact CE2-CD1 3.95Å; F119-F140 HydrophobicContact CE2-CD1 3.95Å; F119-F140 AromaticContact CE2-CE1 3.66Å; F119-F140 HydrophobicContact CE2-CE1 3.66Å; F119-F140 HydrophobicContact CE2-CE2 4.42Å; F119-F140 HydrophobicContact CE2-CG 4.47Å; F119-F140 AromaticContact CE2-CZ 3.9Å; F119-F140 HydrophobicContact CE2-CZ 3.9Å; L137-F140 HydrophobicContact CB-CZ 4.36Å; F140-L142 VanDerWaalsContact C-N 3.26Å; F140-L142 PolarHBondContact O-N 2.97Å; F140-A143 HydrophobicContact CB-CB 4.04Å; F140-A143 HydrophobicContact CD1-CB 3.93Å; F140-A143 PolarHBondContact O-N 3.24Å | ||
| 141 | S | 88.6 | Confident | 89 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.9 | -176.3 | 49 | 0 | 0 | 0 | 0 | 114.8 | N45 R126 D139 | N45-S141 PolarHBondContact ND2-O 2.72Å; R126-S141 PolarHBondContact NH2-OG 2.75Å; D139-S141 VanDerWaalsContact C-N 3.27Å; D139-S141 PolarHBondContact O-N 2.89Å; D139-S141 WeakPolarHBondContact OD1-CB 3.42Å; D139-S141 PolarHBondContact OD1-N 2.93Å; D139-S141 PolarHBondContact OD1-OG 2.76Å; D139-S141 PolarHBondContact OD2-OG 2.2Å |
| 142 | L | 89.2 | Confident | 88.9 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 4.2 | 179.6 | -55.6 | 179.2 | 0 | 0 | 0 | 113 | V42 N120 F140 L150 L154 L172 | V42-L142 HydrophobicContact CG1-CD2 4.24Å; N120-L142 WeakPolarHBondContact CB-O 3.23Å; N120-L142 PolarHBondContact ND2-O 2.7Å; F140-L142 VanDerWaalsContact C-N 3.26Å; F140-L142 PolarHBondContact O-N 2.97Å; L142-L150 HydrophobicContact CB-CD2 4.08Å; L142-L150 HydrophobicContact CD2-CD2 4.24Å; L142-L150 WeakPolarHBondContact O-CD2 3.45Å; L142-L154 HydrophobicContact CD2-CD1 4.46Å; L142-L172 HydrophobicContact CD2-CD1 4.19Å; L142-L172 HydrophobicContact CD2-CD2 4.16Å |
| 143 | A | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -73 | 143.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N45 V49 V117 V118 F140 | N45-A143 PolarHBondContact ND2-O 2.95Å; N45-A143 PolarHBondContact OD1-O 2.37Å; V49-A143 HydrophobicContact CG1-CB 4.17Å; V49-A143 HydrophobicContact CG2-CB 4.42Å; V117-A143 HydrophobicContact CG1-CB 3.99Å; V118-A143 VanDerWaalsContact O-CA 3.31Å; V118-A143 WeakPolarHBondContact O-CA 3.47Å; V118-A143 WeakPolarHBondContact O-CB 3.27Å; F140-A143 HydrophobicContact CB-CB 4.04Å; F140-A143 HydrophobicContact CD1-CB 3.93Å; F140-A143 PolarHBondContact O-N 3.24Å | ||
| 144 | H | 91.6 | Very high | 88.5 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.06 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 159 | -177.3 | 61 | 103.5 | 0 | 0 | 0 | 110 | V117 V118 E148 L150 | V117-H144 CarbonylContact C-O 3.59Å; V117-H144 WeakPolarHBondContact CA-O 3.3Å; V118-H144 PolarHBondContact N-O 3.23Å; V118-H144 PolarHBondContact O-N 3.48Å; H144-E148 HydrophobicContact CB-CB 4.14Å; H144-E148 PolarHBondContact ND1-O 3.48Å; H144-L150 HydrophobicContact CB-CD1 4.42Å |
| 145 | A | 90.4 | Very high | 87.9 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 156.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G116 D147 E148 | G116-A145 CarbonylContact O-C 3.6Å; G116-A145 VanDerWaalsContact O-CA 3.31Å; G116-A145 WeakPolarHBondContact O-CA 3.26Å; A145-D147 PolarHBondContact O-N 3.32Å; A145-D147 VanDerWaalsContact O-N 3.16Å; A145-E148 HydrophobicContact CB-CB 4.25Å; A145-E148 HydrophobicContact CB-CG 3.83Å; A145-E148 PolarHBondContact N-OE2 2.83Å; A145-E148 PolarHBondContact O-N 3.22Å |
| 146 | E | 84.5 | Confident | 87.2 | Confident | 90 Ų | 90 | 45.7 Ų | 45.7 | 42% | 0.421 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.4 | 178.8 | -74 | 174.1 | 123.6 | 0 | 0 | 113.7 | G116 V118 K191 | G116-E146 PolarHBondContact O-N 2.9Å; V118-E146 HydrophobicContact CG2-CG 3.69Å; E146-K191 VanDerWaalsContact CD-CE 3.48Å; E146-K191 WeakPolarHBondContact OE1-CD 3.38Å; E146-K191 WeakPolarHBondContact OE1-CE 3.34Å; E146-K191 WeakPolarHBondContact OE1-CG 3.4Å; E146-K191 IonicContact OE1-NZ 3.37Å; E146-K191 PolarHBondContact OE1-NZ 3.43Å; E146-K191 WeakPolarHBondContact OE2-CE 3.49Å; E146-K191 IonicContact OE2-NZ 2.75Å; E146-K191 PolarHBondContact OE2-NZ 2.86Å |
| 147 | D | 84.1 | Confident | 86.5 | Confident | 166 Ų | 166 | 47.8 Ų | 47.8 | 89% | 0.888 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 7.8 | 177.3 | -51.8 | -57.5 | 0 | 0 | 0 | 113.5 | A145 | A145-D147 PolarHBondContact O-N 3.32Å; A145-D147 VanDerWaalsContact O-N 3.16Å |
| 148 | E | 85.1 | Confident | 85.5 | Confident | 59 Ų | 59 | 49.5 Ų | 49.5 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | trans | -107.2 | 126.3 | -176.4 | -77.9 | 172.1 | 174 | 0 | 0 | 113.1 | R48 H144 A145 L150 L153 | R48-E148 IonicContact CZ-OE1 3.62Å; R48-E148 IonicContact CZ-OE2 3.39Å; R48-E148 VanDerWaalsContact CZ-OE2 3.31Å; R48-E148 VanDerWaalsContact NH1-CD 3.25Å; R48-E148 IonicContact NH1-OE1 3.31Å; R48-E148 PolarHBondContact NH1-OE1 3.14Å; R48-E148 IonicContact NH1-OE2 3.41Å; R48-E148 PolarHBondContact NH1-OE2 3.42Å; R48-E148 IonicContact NH2-OE1 2.62Å; R48-E148 IonicContact NH2-OE2 3.95Å; R48-E148 PolarHBondContact NH2-OE2 3.31Å; H144-E148 HydrophobicContact CB-CB 4.14Å; H144-E148 PolarHBondContact ND1-O 3.48Å; A145-E148 HydrophobicContact CB-CB 4.25Å; A145-E148 HydrophobicContact CB-CG 3.83Å; A145-E148 PolarHBondContact N-OE2 2.83Å; A145-E148 PolarHBondContact O-N 3.22Å; E148-L150 PolarHBondContact O-N 3.41Å; E148-L153 HydrophobicContact CB-CD1 4.41Å; E148-L153 HydrophobicContact CG-CD1 4.11Å; E148-L153 WeakPolarHBondContact OE2-CD1 3.47Å | ||
| 149 | I | 82.9 | Confident | 84.4 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | trans | -77.5 | 115.4 | 166.3 | -58.7 | 177 | 0 | 0 | 0 | 108.5 | D151 D152 L153 | I149-D151 PolarHBondContact O-N 3.06Å; I149-D152 HydrophobicContact CB-CB 4.43Å; I149-D152 HydrophobicContact CG2-CB 4.38Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 PolarHBondContact O-N 3.03Å | ||
| 150 | L | 83.7 | Confident | 82.9 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | -173.2 | 178.7 | 64.1 | 0 | 0 | 0 | 113.4 | N120 L142 H144 E148 L153 L154 | N120-L150 WeakPolarHBondContact ND2-CD2 3.48Å; L142-L150 HydrophobicContact CB-CD2 4.08Å; L142-L150 HydrophobicContact CD2-CD2 4.24Å; L142-L150 WeakPolarHBondContact O-CD2 3.45Å; H144-L150 HydrophobicContact CB-CD1 4.42Å; E148-L150 PolarHBondContact O-N 3.41Å; L150-L153 PolarHBondContact O-N 2.91Å; L150-L154 HydrophobicContact CD1-CD1 3.99Å; L150-L154 HydrophobicContact CD1-CG 4.01Å; L150-L154 HydrophobicContact CD2-CD1 4.46Å; L150-L154 HydrophobicContact CG-CD1 3.88Å; L150-L154 HydrophobicContact CG-CG 4.3Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.3Å |
| 151 | D | 81.4 | Confident | 81.1 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | -176.4 | -72.2 | -18.6 | 0 | 0 | 0 | 111.5 | I149 L153 L154 V155 L169 | I149-D151 PolarHBondContact O-N 3.06Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.11Å; D151-L154 PolarHBondContact O-N 3.27Å; D151-V155 WeakPolarHBondContact O-CG2 3.45Å; D151-V155 PolarHBondContact O-N 3.33Å; D151-L169 HydrophobicContact CB-CD2 4.4Å |
| 152 | D | 82.4 | Confident | 79.5 | Confident | 106 Ų | 106 | 71.9 Ų | 71.9 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.5 | -42.6 | 174.5 | -68.8 | -21.1 | 0 | 0 | 0 | 111.5 | I149 V155 Q156 | I149-D152 HydrophobicContact CB-CB 4.43Å; I149-D152 HydrophobicContact CG2-CB 4.38Å; D152-V155 PolarHBondContact O-N 3.03Å; D152-Q156 PolarHBondContact O-N 3.27Å |
| 153 | L | 83.5 | Confident | 77.6 | Confident | 16 Ų | 16 | 81.8 Ų | 81.8 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.9 | -34.8 | 179.3 | -175.8 | 144.9 | 0 | 0 | 0 | 112.7 | N45 E148 I149 L150 D151 F157 | N45-L153 HydrophobicContact CB-CD2 4.1Å; N45-L153 WeakPolarHBondContact OD1-CD2 3.23Å; E148-L153 HydrophobicContact CB-CD1 4.41Å; E148-L153 HydrophobicContact CG-CD1 4.11Å; E148-L153 WeakPolarHBondContact OE2-CD1 3.47Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 PolarHBondContact O-N 3.03Å; L150-L153 PolarHBondContact O-N 2.91Å; D151-L153 VanDerWaalsContact C-N 3.3Å; D151-L153 PolarHBondContact O-N 3.11Å; L153-F157 HydrophobicContact CD2-CD2 4.24Å; L153-F157 HydrophobicContact CD2-CE2 3.72Å; L153-F157 HydrophobicContact CG-CE2 4.38Å; L153-F157 VanDerWaalsContact O-CD2 3.32Å; L153-F157 WeakPolarHBondContact O-CD2 3.44Å |
| 154 | L | 84.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -72.7 | -39 | 173.3 | -71.4 | 173.7 | 0 | 0 | 0 | 111.5 | P41 V42 N45 L142 L150 D151 Q156 F157 L169 L172 | P41-L154 HydrophobicContact CB-CB 4.34Å; P41-L154 HydrophobicContact CB-CD2 3.96Å; P41-L154 WeakPolarHBondContact CB-O 3.48Å; V42-L154 HydrophobicContact CG1-CD2 4.18Å; N45-L154 HydrophobicContact CB-CD2 4.24Å; L142-L154 HydrophobicContact CD2-CD1 4.46Å; L150-L154 HydrophobicContact CD1-CD1 3.99Å; L150-L154 HydrophobicContact CD1-CG 4.01Å; L150-L154 HydrophobicContact CD2-CD1 4.46Å; L150-L154 HydrophobicContact CG-CD1 3.88Å; L150-L154 HydrophobicContact CG-CG 4.3Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.3Å; D151-L154 PolarHBondContact O-N 3.27Å; L154-Q156 VanDerWaalsContact C-N 3.29Å; L154-Q156 PolarHBondContact O-N 2.57Å; L154-F157 PolarHBondContact O-N 3.23Å; L154-F157 VanDerWaalsContact O-N 3.13Å; L154-L169 HydrophobicContact CB-CD2 4.46Å; L154-L172 HydrophobicContact CD1-CD1 3.53Å |
| 155 | V | 81.9 | Confident | 74.1 | Confident | 58 Ų | 58 | 90.1 Ų | 90.1 | 35% | 0.352 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 173 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | D151 D152 F157 C158 L169 | D151-V155 WeakPolarHBondContact O-CG2 3.45Å; D151-V155 PolarHBondContact O-N 3.33Å; D152-V155 PolarHBondContact O-N 3.03Å; V155-F157 PolarHBondContact O-N 3.05Å; V155-F157 VanDerWaalsContact O-N 3.12Å; V155-C158 WeakPolarHBondContact O-CB 3.43Å; V155-C158 PolarHBondContact O-N 2.81Å; V155-L169 HydrophobicContact CG2-CD1 3.85Å; V155-L169 HydrophobicContact CG2-CD2 4.47Å |
| 156 | Q | 81.1 | Confident | 72.3 | Confident | 157 Ų | 157 | 91.5 Ų | 91.5 | 73% | 0.734 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.8 | 176 | -164.7 | 179.9 | 22.3 | 0 | 0 | 113.8 | D152 L154 | D152-Q156 PolarHBondContact O-N 3.27Å; L154-Q156 VanDerWaalsContact C-N 3.29Å; L154-Q156 PolarHBondContact O-N 2.57Å |
| 157 | F | 82.2 | Confident | 71 | Confident | 54 Ų | 54 | 92.5 Ų | 92.5 | 24% | 0.237 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 3.3 | 176.6 | -67.6 | -45.5 | 0 | 0 | 0 | 114.4 | P41 N45 L153 L154 V155 | P41-F157 HydrophobicContact CB-CB 4.08Å; P41-F157 HydrophobicContact CG-CB 4.39Å; N45-F157 HydrophobicContact CB-CD2 4.4Å; N45-F157 HydrophobicContact CB-CE2 4Å; L153-F157 HydrophobicContact CD2-CD2 4.24Å; L153-F157 HydrophobicContact CD2-CE2 3.72Å; L153-F157 HydrophobicContact CG-CE2 4.38Å; L153-F157 VanDerWaalsContact O-CD2 3.32Å; L153-F157 WeakPolarHBondContact O-CD2 3.44Å; L154-F157 PolarHBondContact O-N 3.23Å; L154-F157 VanDerWaalsContact O-N 3.13Å; V155-F157 PolarHBondContact O-N 3.05Å; V155-F157 VanDerWaalsContact O-N 3.12Å |
| 158 | C | 75.5 | Confident | 70 | Confident | 36 Ų | 36 | 86.9 Ų | 86.9 | 24% | 0.243 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -74.6 | 146.7 | 169 | -68.2 | 0 | 0 | 0 | 0 | 110.9 | V155 | V155-C158 WeakPolarHBondContact O-CB 3.43Å; V155-C158 PolarHBondContact O-N 2.81Å |
| 159 | E | 66.8 | Low | 68.9 | Low | 103 Ų | 103 | 86.2 Ų | 86.2 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | trans | -87.1 | 145.5 | 169.7 | -68.3 | 174.2 | -171.4 | 0 | 0 | 109.4 | R40 D161 D162 | R40-E159 WeakPolarHBondContact CD-OE1 3.34Å; R40-E159 IonicContact CZ-OE1 3.93Å; R40-E159 VanDerWaalsContact CZ-OE1 3.31Å; R40-E159 IonicContact NE-OE1 2.72Å; R40-E159 PolarHBondContact NE-OE1 3.11Å; R40-E159 IonicContact NH1-OE1 2.8Å; R40-E159 PolarHBondContact NH1-OE1 2.79Å; E159-D161 PolarHBondContact O-N 3.03Å; E159-D161 VanDerWaalsContact O-N 3.07Å; E159-D162 PolarHBondContact O-N 3.21Å; E159-D162 VanDerWaalsContact O-N 3.13Å | ||
| 160 | E | 57.2 | Low | 67.6 | Low | 197 Ų | 197 | 90.5 Ų | 90.5 | 92% | 0.921 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.3 | -170.6 | -62.1 | -176.4 | 156.1 | 0 | 0 | 114 | ||
| 161 | D | 54.4 | Low | 66.5 | Low | 146 Ų | 146 | 91.7 Ų | 91.7 | 78% | 0.781 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.9 | -179.4 | -76 | -47.2 | 0 | 0 | 0 | 114.8 | E159 Y163 | E159-D161 PolarHBondContact O-N 3.03Å; E159-D161 VanDerWaalsContact O-N 3.07Å; D161-Y163 WeakPolarHBondContact O-CD2 3.47Å; D161-Y163 PolarHBondContact O-N 3.39Å |
| 162 | D | 54.8 | Low | 65.7 | Low | 59 Ų | 59 | 89.6 Ų | 89.6 | 32% | 0.316 | 46% | 0.457 | S | S | . | . | trans | -87.5 | 93.4 | -175.3 | -157.7 | -24.5 | 0 | 0 | 0 | 112.8 | E159 N164 | E159-D162 PolarHBondContact O-N 3.21Å; E159-D162 VanDerWaalsContact O-N 3.13Å; D162-N164 PolarHBondContact O-N 3.3Å; D162-N164 PolarHBondContact OD1-N 2.98Å; D162-N164 PolarHBondContact OD1-ND2 3.43Å | ||
| 163 | Y | 49.2 | Very low | 64.9 | Low | 220 Ų | 220 | 88 Ų | 88 | 86% | 0.863 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 3.6 | -178.5 | -80.8 | -99.7 | 0 | 0 | 0 | 116 | D161 | D161-Y163 WeakPolarHBondContact O-CD2 3.47Å; D161-Y163 PolarHBondContact O-N 3.39Å |
| 164 | N | 54.6 | Low | 64.6 | Low | 99 Ų | 99 | 91.5 Ų | 91.5 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 9.4 | -170.6 | -53.7 | -77.8 | 0 | 0 | 0 | 115 | D162 G166 D167 F168 | D162-N164 PolarHBondContact O-N 3.3Å; D162-N164 PolarHBondContact OD1-N 2.98Å; D162-N164 PolarHBondContact OD1-ND2 3.43Å; N164-G166 VanDerWaalsContact C-N 3.29Å; N164-G166 PolarHBondContact O-N 3.46Å; N164-G166 VanDerWaalsContact O-N 3.09Å; N164-D167 PolarHBondContact O-N 3.24Å; N164-F168 PolarHBondContact O-N 3.4Å |
| 165 | Q | 55.8 | Low | 64.6 | Low | 90 Ų | 90 | 93 Ų | 93 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -44.5 | -46.9 | -173.1 | -63.2 | 177.3 | 2.9 | 0 | 0 | 114.6 | D167 F168 L169 | Q165-D167 PolarHBondContact O-N 3.5Å; Q165-F168 PolarHBondContact O-N 3.45Å; Q165-L169 PolarHBondContact O-N 2.69Å |
| 166 | G | 53.3 | Low | 64.9 | Low | 56 Ų | 56 | 91.8 Ų | 91.8 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67 | -34.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N164 R170 | N164-G166 VanDerWaalsContact C-N 3.29Å; N164-G166 PolarHBondContact O-N 3.46Å; N164-G166 VanDerWaalsContact O-N 3.09Å; G166-R170 VanDerWaalsContact O-CB 3.23Å; G166-R170 WeakPolarHBondContact O-CB 3.41Å; G166-R170 PolarHBondContact O-N 3.08Å |
| 167 | D | 57.4 | Low | 65.4 | Low | 112 Ų | 112 | 87.4 Ų | 87.4 | 60% | 0.599 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -77.4 | -27.3 | 177.7 | -83.8 | -20.1 | 0 | 0 | 0 | 111.9 | N164 Q165 G171 | N164-D167 PolarHBondContact O-N 3.24Å; Q165-D167 PolarHBondContact O-N 3.5Å; D167-G171 PolarHBondContact O-N 3.43Å |
| 168 | F | 62.1 | Low | 65.9 | Low | 48 Ų | 48 | 85.6 Ų | 85.6 | 21% | 0.211 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.7 | -55.7 | 174.1 | 179.3 | -100.6 | 0 | 0 | 0 | 111.8 | P41 V42 N164 Q165 R170 G171 L172 | P41-F168 HydrophobicContact CB-CE1 3.83Å; P41-F168 HydrophobicContact CB-CZ 3.88Å; P41-F168 HydrophobicContact CG-CE1 4.12Å; P41-F168 HydrophobicContact CG-CZ 4.18Å; V42-F168 HydrophobicContact CG1-CZ 4.05Å; V42-F168 HydrophobicContact CG2-CZ 4.25Å; N164-F168 PolarHBondContact O-N 3.4Å; Q165-F168 PolarHBondContact O-N 3.45Å; F168-R170 VanDerWaalsContact C-N 3.3Å; F168-R170 PolarHBondContact O-N 3.21Å; F168-G171 PolarHBondContact O-N 2.91Å; F168-G171 VanDerWaalsContact O-N 3.09Å; F168-L172 HydrophobicContact CE1-CD1 3.96Å; F168-L172 HydrophobicContact CZ-CD1 4.3Å; F168-L172 PolarHBondContact O-N 3.47Å |
| 169 | L | 61.9 | Low | 66.7 | Low | 44 Ų | 44 | 84.1 Ų | 84.1 | 23% | 0.23 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 177.8 | -64.6 | 177.4 | 0 | 0 | 0 | 111.4 | D151 L154 V155 Q165 G171 L172 S173 | D151-L169 HydrophobicContact CB-CD2 4.4Å; L154-L169 HydrophobicContact CB-CD2 4.46Å; V155-L169 HydrophobicContact CG2-CD1 3.85Å; V155-L169 HydrophobicContact CG2-CD2 4.47Å; Q165-L169 PolarHBondContact O-N 2.69Å; L169-G171 PolarHBondContact O-N 3.01Å; L169-L172 WeakPolarHBondContact O-CB 3.33Å; L169-L172 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-N 3.41Å |
| 170 | R | 56.7 | Low | 68 | Low | 188 Ų | 188 | 79.2 Ų | 79.2 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.6 | -29 | 176.7 | -164.9 | 177.5 | -164.9 | -177.7 | 6.5 | 113.2 | G166 F168 | G166-R170 VanDerWaalsContact O-CB 3.23Å; G166-R170 WeakPolarHBondContact O-CB 3.41Å; G166-R170 PolarHBondContact O-N 3.08Å; F168-R170 VanDerWaalsContact C-N 3.3Å; F168-R170 PolarHBondContact O-N 3.21Å |
| 171 | G | 59.2 | Low | 69.7 | Low | 51 Ų | 51 | 70.4 Ų | 70.4 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.3 | -32.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D167 F168 L169 S173 | D167-G171 PolarHBondContact O-N 3.43Å; F168-G171 PolarHBondContact O-N 2.91Å; F168-G171 VanDerWaalsContact O-N 3.09Å; L169-G171 PolarHBondContact O-N 3.01Å; G171-S173 VanDerWaalsContact C-N 3.34Å |
| 172 | L | 66.2 | Low | 71.4 | Confident | 41 Ų | 41 | 64.2 Ų | 64.2 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -77.6 | -22.1 | 178.2 | -58.5 | 178.7 | 0 | 0 | 0 | 113 | R121 L142 L154 F168 L169 V174 | R121-L172 PolarHBondContact NH1-O 3.16Å; L142-L172 HydrophobicContact CD2-CD1 4.19Å; L142-L172 HydrophobicContact CD2-CD2 4.16Å; L154-L172 HydrophobicContact CD1-CD1 3.53Å; F168-L172 HydrophobicContact CE1-CD1 3.96Å; F168-L172 HydrophobicContact CZ-CD1 4.3Å; F168-L172 PolarHBondContact O-N 3.47Å; L169-L172 WeakPolarHBondContact O-CB 3.33Å; L169-L172 PolarHBondContact O-N 3.45Å; L172-V174 VanDerWaalsContact C-N 3.27Å; L172-V174 PolarHBondContact O-N 2.77Å |
| 173 | S | 65 | Low | 73.1 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 51% | 0.51 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -5.2 | -175.4 | -166.7 | 0 | 0 | 0 | 0 | 114.9 | L169 G171 H175 | L169-S173 PolarHBondContact O-N 3.41Å; G171-S173 VanDerWaalsContact C-N 3.34Å; S173-H175 PolarHBondContact O-N 3.22Å |
| 174 | V | 77.3 | Confident | 74.9 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | trans | -71.6 | 115.8 | 175.5 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | R121 L172 | R121-V174 PolarHBondContact NH2-O 3.17Å; L172-V174 VanDerWaalsContact C-N 3.27Å; L172-V174 PolarHBondContact O-N 2.77Å | ||
| 175 | H | 83.8 | Confident | 76.3 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | trans | -74.4 | 144.3 | -179.3 | -38 | 130.1 | 0 | 0 | 0 | 112.7 | S173 D179 I184 Q217 D221 | S173-H175 PolarHBondContact O-N 3.22Å; H175-D179 VanDerWaalsContact CA-OD2 3.24Å; H175-D179 WeakPolarHBondContact CA-OD2 3.47Å; H175-D179 HydrophobicContact CB-CB 4.48Å; H175-I184 HydrophobicContact CB-CD1 4.28Å; H175-I184 HydrophobicContact CB-CG1 4.07Å; H175-Q217 PolarHBondContact O-NE2 3.27Å; H175-D221 IonicContact CE1-OD2 2.99Å; H175-D221 PolarHBondContact CE1-OD2 3.26Å; H175-D221 IonicContact CG-OD1 2.74Å; H175-D221 VanDerWaalsContact ND1-CG 3.26Å; H175-D221 IonicContact ND1-OD1 2.69Å; H175-D221 PolarHBondContact ND1-OD1 3.49Å; H175-D221 IonicContact ND1-OD2 3.2Å; H175-D221 PolarHBondContact ND1-OD2 3Å | ||
| 176 | S | 87.9 | Confident | 77.4 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | trans | -101.8 | 162.9 | -179.5 | -161.9 | 0 | 0 | 0 | 0 | 113.4 | L123 Y178 D179 I224 | L123-S176 WeakPolarHBondContact CD2-OG 3.28Å; S176-Y178 PolarHBondContact O-N 3.41Å; S176-D179 PolarHBondContact N-OD2 3.42Å; S176-D179 PolarHBondContact O-N 2.91Å; S176-I224 WeakPolarHBondContact O-CD1 2.72Å | ||
| 177 | E | 91.5 | Very high | 78.5 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -4.3 | 174.1 | -60.7 | 177 | 124.7 | 0 | 0 | 114.1 | P210 S213 L220 | E177-P210 HydrophobicContact CB-CB 4Å; E177-P210 HydrophobicContact CB-CG 3.86Å; E177-P210 HydrophobicContact CG-CG 4.24Å; E177-P210 WeakPolarHBondContact OE2-CG 3.25Å; E177-S213 WeakPolarHBondContact OE1-CB 3.49Å; E177-L220 HydrophobicContact CB-CD1 4.48Å; E177-L220 HydrophobicContact CG-CD1 3.93Å; E177-L220 HydrophobicContact CG-CD2 4.05Å |
| 178 | Y | 93.6 | Very high | 79.4 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -8.5 | -179.9 | -55.7 | -96.7 | 0 | 0 | 0 | 113.1 | L122 L123 P124 S176 G197 C200 N204 | L122-Y178 WeakPolarHBondContact O-CB 3.29Å; L123-Y178 HydrophobicContact CD2-CD2 3.62Å; L123-Y178 HydrophobicContact CD2-CE2 4.39Å; L123-Y178 HydrophobicContact CD2-CG 4.1Å; P124-Y178 HydrophobicContact CG-CE1 3.91Å; P124-Y178 HydrophobicContact CG-CE2 4.44Å; P124-Y178 WeakPolarHBondContact CG-OH 3.29Å; S176-Y178 PolarHBondContact O-N 3.41Å; Y178-G197 WeakPolarHBondContact O-CA 3.4Å; Y178-C200 HydrophobicContact CD1-CB 3.59Å; Y178-C200 HydrophobicContact CE1-CB 4.2Å; Y178-C200 HydrophobicContact CG-CB 4.26Å; Y178-N204 HydrophobicContact CE1-CB 4.45Å; Y178-N204 PolarHBondContact OH-ND2 3.44Å |
| 179 | D | 92.2 | Very high | 80.5 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | trans | -71.7 | 154.7 | 178.7 | -69.3 | -13.8 | 0 | 0 | 0 | 110.5 | R121 H175 S176 T183 I184 W196 | R121-D179 WeakPolarHBondContact CG-OD1 3.4Å; R121-D179 IonicContact CZ-OD1 3.15Å; R121-D179 IonicContact CZ-OD2 2.95Å; R121-D179 IonicContact NE-OD1 3.54Å; R121-D179 PolarHBondContact NE-OD1 3Å; R121-D179 IonicContact NE-OD2 2.73Å; R121-D179 PolarHBondContact NE-OD2 3.42Å; R121-D179 VanDerWaalsContact NE-OD2 3.11Å; R121-D179 IonicContact NH2-OD1 2.7Å; R121-D179 IonicContact NH2-OD2 3.89Å; R121-D179 PolarHBondContact NH2-OD2 3.22Å; H175-D179 VanDerWaalsContact CA-OD2 3.24Å; H175-D179 WeakPolarHBondContact CA-OD2 3.47Å; H175-D179 HydrophobicContact CB-CB 4.48Å; S176-D179 PolarHBondContact N-OD2 3.42Å; S176-D179 PolarHBondContact O-N 2.91Å; D179-T183 HydrophobicContact CB-CG2 4.22Å; D179-I184 HydrophobicContact CB-CG1 4.44Å; D179-W196 PolarHBondContact O-NE1 2.84Å | ||
| 180 | S | 93.5 | Very high | 81.8 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | trans | -93 | 159.2 | -169.3 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | E182 T183 I184 S193 W196 | S180-E182 WeakPolarHBondContact CB-OE2 3.4Å; S180-E182 PolarHBondContact O-N 3.03Å; S180-E182 VanDerWaalsContact OG-CG 3.23Å; S180-E182 WeakPolarHBondContact OG-CG 3.48Å; S180-E182 PolarHBondContact OG-OE2 2.81Å; S180-T183 PolarHBondContact N-OG1 2.96Å; S180-T183 WeakPolarHBondContact O-CB 3.39Å; S180-T183 PolarHBondContact O-N 2.85Å; S180-T183 PolarHBondContact OG-N 3.42Å; S180-T183 PolarHBondContact OG-OG1 3.15Å; S180-I184 WeakPolarHBondContact O-CG1 3.47Å; S180-I184 PolarHBondContact O-N 3.44Å; S180-S193 VanDerWaalsContact OG-CB 3.24Å; S180-S193 WeakPolarHBondContact OG-CB 3.29Å; S180-W196 VanDerWaalsContact CA-CD1 3.42Å | ||
| 181 | P | 93.2 | Very high | 83.6 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 7% | 0.071 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.9 | -35.5 | 176.1 | -26.8 | 36.8 | 0 | 0 | 0 | 112.6 | S185 W196 I224 L225 K254 | P181-S185 VanDerWaalsContact O-CB 3.31Å; P181-S185 WeakPolarHBondContact O-CB 3.31Å; P181-S185 PolarHBondContact O-N 2.73Å; P181-S185 VanDerWaalsContact O-N 3.08Å; P181-S185 PolarHBondContact O-OG 3.38Å; P181-W196 HydrophobicContact CG-CD2 4.38Å; P181-W196 HydrophobicContact CG-CE3 4.19Å; P181-W196 HydrophobicContact CG-CH2 3.77Å; P181-W196 HydrophobicContact CG-CZ2 3.94Å; P181-W196 HydrophobicContact CG-CZ3 3.88Å; P181-I224 HydrophobicContact CG-CG2 4.22Å; P181-L225 HydrophobicContact CB-CD2 4.15Å; P181-K254 HydrophobicContact CG-CD 4.13Å |
| 182 | E | 91 | Very high | 85.2 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.4 | -40.3 | 174.1 | 63.7 | -90.5 | -142.1 | 0 | 0 | 112.8 | S180 I184 S185 Q186 Y187 S256 R259 | S180-E182 WeakPolarHBondContact CB-OE2 3.4Å; S180-E182 PolarHBondContact O-N 3.03Å; S180-E182 VanDerWaalsContact OG-CG 3.23Å; S180-E182 WeakPolarHBondContact OG-CG 3.48Å; S180-E182 PolarHBondContact OG-OE2 2.81Å; E182-I184 PolarHBondContact O-N 3.44Å; E182-S185 CarbonylContact O-C 3.55Å; E182-S185 PolarHBondContact O-N 2.7Å; E182-S185 VanDerWaalsContact O-N 3.17Å; E182-Q186 PolarHBondContact O-N 3.38Å; E182-Y187 HydrophobicContact CB-CD2 4.4Å; E182-Y187 PolarHBondContact O-N 2.94Å; E182-S256 WeakPolarHBondContact OE1-CB 3.45Å; E182-R259 IonicContact OE1-CZ 2.73Å; E182-R259 IonicContact OE1-NH1 2.77Å; E182-R259 PolarHBondContact OE1-NH1 2.9Å; E182-R259 IonicContact OE1-NH2 3.36Å; E182-R259 PolarHBondContact OE1-NH2 3.22Å; E182-R259 IonicContact OE2-CZ 3.07Å; E182-R259 IonicContact OE2-NH1 2.7Å; E182-R259 PolarHBondContact OE2-NH1 2.84Å; E182-R259 IonicContact OE2-NH2 2.61Å; E182-R259 PolarHBondContact OE2-NH2 3.08Å |
| 183 | T | 89.3 | Confident | 86.5 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.2 | -48 | 174 | -46.2 | 0 | 0 | 0 | 0 | 111.6 | D179 S180 S185 Q186 N189 | D179-T183 HydrophobicContact CB-CG2 4.22Å; S180-T183 PolarHBondContact N-OG1 2.96Å; S180-T183 WeakPolarHBondContact O-CB 3.39Å; S180-T183 PolarHBondContact O-N 2.85Å; S180-T183 PolarHBondContact OG-N 3.42Å; S180-T183 PolarHBondContact OG-OG1 3.15Å; T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 2.94Å; T183-Q186 PolarHBondContact O-N 3.05Å; T183-N189 WeakPolarHBondContact CB-OD1 3.23Å; T183-N189 PolarHBondContact OG1-OD1 3.27Å |
| 184 | I | 88 | Confident | 88 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.8 | -25.4 | -178.9 | -63.9 | -179.6 | 0 | 0 | 0 | 111.5 | H175 D179 S180 E182 Q186 D221 I224 L225 | H175-I184 HydrophobicContact CB-CD1 4.28Å; H175-I184 HydrophobicContact CB-CG1 4.07Å; D179-I184 HydrophobicContact CB-CG1 4.44Å; S180-I184 WeakPolarHBondContact O-CG1 3.47Å; S180-I184 PolarHBondContact O-N 3.44Å; E182-I184 PolarHBondContact O-N 3.44Å; I184-Q186 PolarHBondContact O-N 3.05Å; I184-D221 HydrophobicContact CG2-CB 3.68Å; I184-I224 HydrophobicContact CD1-CB 3.71Å; I184-I224 HydrophobicContact CD1-CD1 3.54Å; I184-I224 HydrophobicContact CD1-CG1 4.21Å; I184-I224 HydrophobicContact CD1-CG2 3.55Å; I184-L225 HydrophobicContact CG2-CD1 4.18Å; I184-L225 HydrophobicContact CG2-CG 4.26Å |
| 185 | S | 84.7 | Confident | 88.8 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 39% | 0.385 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 7 | 170.6 | -54.4 | 0 | 0 | 0 | 0 | 113.3 | P181 E182 T183 Y187 | P181-S185 VanDerWaalsContact O-CB 3.31Å; P181-S185 WeakPolarHBondContact O-CB 3.31Å; P181-S185 PolarHBondContact O-N 2.73Å; P181-S185 VanDerWaalsContact O-N 3.08Å; P181-S185 PolarHBondContact O-OG 3.38Å; E182-S185 CarbonylContact O-C 3.55Å; E182-S185 PolarHBondContact O-N 2.7Å; E182-S185 VanDerWaalsContact O-N 3.17Å; T183-S185 VanDerWaalsContact C-N 3.27Å; T183-S185 PolarHBondContact O-N 2.94Å; S185-Y187 VanDerWaalsContact C-N 3.26Å; S185-Y187 PolarHBondContact O-N 3.34Å |
| 186 | Q | 77.1 | Confident | 89.4 | Confident | 168 Ų | 168 | 43.2 Ų | 43.2 | 79% | 0.785 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 30.8 | -179.5 | -57.4 | -178.7 | -21 | 0 | 0 | 114.2 | E182 T183 I184 | E182-Q186 PolarHBondContact O-N 3.38Å; T183-Q186 PolarHBondContact O-N 3.05Å; I184-Q186 PolarHBondContact O-N 3.05Å |
| 187 | Y | 76.6 | Confident | 89.8 | Confident | 169 Ų | 169 | 41.8 Ų | 41.8 | 66% | 0.663 | 21% | 0.205 | S | C | * | . | P | Polyproline II helix | trans | -88.5 | 156.3 | 165.3 | -64.9 | -64.8 | 0 | 0 | 0 | 110.9 | E182 S185 N189 | E182-Y187 HydrophobicContact CB-CD2 4.4Å; E182-Y187 PolarHBondContact O-N 2.94Å; S185-Y187 VanDerWaalsContact C-N 3.26Å; S185-Y187 PolarHBondContact O-N 3.34Å; Y187-N189 PolarHBondContact O-N 3.4Å |
| 188 | E | 77 | Confident | 90 | Very high | 169 Ų | 169 | 38.7 Ų | 38.7 | 79% | 0.79 | 19% | 0.191 | S | C | * | . | P | Polyproline II helix | trans | -58.9 | 133.2 | 178.9 | -67.1 | 165 | 171.4 | 0 | 0 | 112.1 | ||
| 189 | N | 84.8 | Confident | 90.1 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 146.2 | 177.2 | -76.5 | -15.7 | 0 | 0 | 0 | 110.9 | N120 T183 Y187 S193 | N120-N189 PolarHBondContact OD1-ND2 3.11Å; T183-N189 WeakPolarHBondContact CB-OD1 3.23Å; T183-N189 PolarHBondContact OG1-OD1 3.27Å; Y187-N189 PolarHBondContact O-N 3.4Å; N189-S193 WeakPolarHBondContact CB-OG 3.42Å |
| 190 | S | 89.6 | Confident | 90.3 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | trans | -145.3 | 176.3 | -172.8 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | S192 S193 D194 | S190-S192 PolarHBondContact O-N 2.94Å; S190-S192 PolarHBondContact OG-N 3.26Å; S190-S193 PolarHBondContact N-OG 2.92Å; S190-S193 PolarHBondContact O-N 2.8Å; S190-S193 PolarHBondContact O-OG 2.99Å; S190-D194 PolarHBondContact O-N 3.47Å | ||
| 191 | K | 93.7 | Very high | 90.4 | Very high | 49 Ų | 49 | 37.6 Ų | 37.6 | 21% | 0.213 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -51 | -26.2 | 170.4 | -63.3 | 179.2 | 179.5 | 129.5 | 0 | 113.4 | H113 E146 Y195 | H113-K191 HydrophobicContact CB-CD 3.88Å; H113-K191 HydrophobicContact CB-CG 4.22Å; H113-K191 WeakPolarHBondContact NE2-CA 3.49Å; H113-K191 PolarHBondContact NE2-O 3.26Å; H113-K191 WeakPolarHBondContact O-CE 3.4Å; E146-K191 VanDerWaalsContact CD-CE 3.48Å; E146-K191 WeakPolarHBondContact OE1-CD 3.38Å; E146-K191 WeakPolarHBondContact OE1-CE 3.34Å; E146-K191 WeakPolarHBondContact OE1-CG 3.4Å; E146-K191 IonicContact OE1-NZ 3.37Å; E146-K191 PolarHBondContact OE1-NZ 3.43Å; E146-K191 WeakPolarHBondContact OE2-CE 3.49Å; E146-K191 IonicContact OE2-NZ 2.75Å; E146-K191 PolarHBondContact OE2-NZ 2.86Å; K191-Y195 VanDerWaalsContact O-CD2 3.23Å; K191-Y195 WeakPolarHBondContact O-CD2 3.03Å; K191-Y195 WeakPolarHBondContact O-CE2 3.23Å; K191-Y195 PolarHBondContact O-N 2.69Å |
| 192 | S | 93.5 | Very high | 90.6 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.2 | -41.3 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 113.2 | S190 D194 Y195 W196 S256 R259 | S190-S192 PolarHBondContact O-N 2.94Å; S190-S192 PolarHBondContact OG-N 3.26Å; S192-D194 PolarHBondContact O-N 3.11Å; S192-Y195 PolarHBondContact O-N 3.01Å; S192-Y195 VanDerWaalsContact O-N 3.11Å; S192-W196 PolarHBondContact O-N 3.49Å; S192-W196 VanDerWaalsContact O-N 3.14Å; S192-S256 WeakPolarHBondContact OG-CA 3.2Å; S192-S256 WeakPolarHBondContact OG-CB 3.28Å; S192-S256 PolarHBondContact OG-O 3.12Å; S192-R259 VanDerWaalsContact C-NH1 3.25Å; S192-R259 WeakPolarHBondContact O-CD 3.36Å; S192-R259 PolarHBondContact O-NH1 3.49Å; S192-R259 PolarHBondContact OG-NH1 3.03Å; S192-R259 VanDerWaalsContact OG-NH1 3.11Å |
| 193 | S | 93.5 | Very high | 90.7 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -31.1 | 176.3 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | S180 N189 S190 W196 G197 | S180-S193 VanDerWaalsContact OG-CB 3.24Å; S180-S193 WeakPolarHBondContact OG-CB 3.29Å; N189-S193 WeakPolarHBondContact CB-OG 3.42Å; S190-S193 PolarHBondContact N-OG 2.92Å; S190-S193 PolarHBondContact O-N 2.8Å; S190-S193 PolarHBondContact O-OG 2.99Å; S193-W196 WeakPolarHBondContact O-CB 3.39Å; S193-W196 PolarHBondContact O-N 2.93Å; S193-W196 VanDerWaalsContact O-N 3.17Å; S193-G197 PolarHBondContact O-N 3.46Å |
| 194 | D | 95.2 | Very high | 91 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.4 | -34 | 172.5 | -76.6 | -11.4 | 0 | 0 | 0 | 112.9 | L109 H113 V118 F119 N120 L122 S190 S192 W196 G197 L198 | L109-D194 HydrophobicContact CD1-CB 4.25Å; L109-D194 HydrophobicContact CD2-CB 4.3Å; H113-D194 WeakPolarHBondContact NE2-CB 3.49Å; V118-D194 WeakPolarHBondContact CG1-OD2 3.37Å; F119-D194 WeakPolarHBondContact CA-OD2 3.35Å; F119-D194 WeakPolarHBondContact CB-OD2 3.42Å; F119-D194 PolarHBondContact N-OD2 2.67Å; N120-D194 WeakPolarHBondContact CA-OD1 3.33Å; N120-D194 PolarHBondContact N-OD1 3.16Å; N120-D194 PolarHBondContact N-OD2 3.35Å; L122-D194 VanDerWaalsContact CD1-CA 3.41Å; L122-D194 HydrophobicContact CD1-CB 3.66Å; L122-D194 WeakPolarHBondContact CD1-O 3.45Å; L122-D194 VanDerWaalsContact CD1-OD1 3.23Å; L122-D194 WeakPolarHBondContact CD1-OD1 3.47Å; S190-D194 PolarHBondContact O-N 3.47Å; S192-D194 PolarHBondContact O-N 3.11Å; D194-W196 VanDerWaalsContact C-N 3.32Å; D194-W196 PolarHBondContact O-N 3.28Å; D194-G197 PolarHBondContact O-N 2.84Å; D194-L198 WeakPolarHBondContact O-CB 3.42Å; D194-L198 PolarHBondContact O-N 3.48Å |
| 195 | Y | 96.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 35.2 Ų | 35.2 | 6% | 0.055 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.4 | -25.1 | 171 | -56.8 | -31.8 | 0 | 0 | 0 | 113.3 | L109 H113 K191 S192 G199 L251 I260 E262 L265 | L109-Y195 HydrophobicContact CD2-CD1 4Å; L109-Y195 HydrophobicContact CD2-CE1 3.96Å; H113-Y195 AromaticContact CE1-CE1 3.23Å; H113-Y195 WeakPolarHBondContact CE1-CE1 3.45Å; H113-Y195 AromaticContact CE1-CZ 2.89Å; H113-Y195 PolarHBondContact CE1-OH 3.21Å; H113-Y195 AromaticContact ND1-CE1 3.66Å; H113-Y195 AromaticContact ND1-CZ 3.55Å; H113-Y195 PolarHBondContact ND1-OH 3.08Å; H113-Y195 AromaticContact NE2-CD1 3.3Å; H113-Y195 VanDerWaalsContact NE2-CD1 3.3Å; H113-Y195 WeakPolarHBondContact NE2-CD1 3.43Å; H113-Y195 AromaticContact NE2-CE1 2.72Å; H113-Y195 WeakPolarHBondContact NE2-CE1 3.32Å; H113-Y195 AromaticContact NE2-CE2 3.87Å; H113-Y195 AromaticContact NE2-CZ 3.04Å; H113-Y195 PolarHBondContact NE2-OH 3.36Å; K191-Y195 VanDerWaalsContact O-CD2 3.23Å; K191-Y195 WeakPolarHBondContact O-CD2 3.03Å; K191-Y195 WeakPolarHBondContact O-CE2 3.23Å; K191-Y195 PolarHBondContact O-N 2.69Å; S192-Y195 PolarHBondContact O-N 3.01Å; S192-Y195 VanDerWaalsContact O-N 3.11Å; Y195-G199 PolarHBondContact O-N 3.27Å; Y195-G199 VanDerWaalsContact O-N 3.16Å; Y195-L251 VanDerWaalsContact O-CD2 3.28Å; Y195-L251 WeakPolarHBondContact O-CD2 3.23Å; Y195-I260 WeakPolarHBondContact CD2-O 3.45Å; Y195-E262 HydrophobicContact CE2-CB 4.42Å; Y195-E262 VanDerWaalsContact OH-CB 3.31Å; Y195-E262 WeakPolarHBondContact OH-CB 3.17Å; Y195-E262 WeakPolarHBondContact OH-CG 3.47Å; Y195-L265 HydrophobicContact CD1-CD2 3.91Å; Y195-L265 HydrophobicContact CE1-CD2 4.07Å; Y195-L265 HydrophobicContact CG-CD2 4.49Å |
| 196 | W | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.2 | -49.7 | 169.3 | 173.1 | -85.3 | 0 | 0 | 0 | 111.6 | D179 S180 P181 S192 S193 D194 L198 G199 C200 F212 I224 L252 K254 | D179-W196 PolarHBondContact O-NE1 2.84Å; S180-W196 VanDerWaalsContact CA-CD1 3.42Å; P181-W196 HydrophobicContact CG-CD2 4.38Å; P181-W196 HydrophobicContact CG-CE3 4.19Å; P181-W196 HydrophobicContact CG-CH2 3.77Å; P181-W196 HydrophobicContact CG-CZ2 3.94Å; P181-W196 HydrophobicContact CG-CZ3 3.88Å; S192-W196 PolarHBondContact O-N 3.49Å; S192-W196 VanDerWaalsContact O-N 3.14Å; S193-W196 WeakPolarHBondContact O-CB 3.39Å; S193-W196 PolarHBondContact O-N 2.93Å; S193-W196 VanDerWaalsContact O-N 3.17Å; D194-W196 VanDerWaalsContact C-N 3.32Å; D194-W196 PolarHBondContact O-N 3.28Å; W196-L198 PolarHBondContact O-N 2.73Å; W196-G199 WeakPolarHBondContact O-CA 3.43Å; W196-G199 PolarHBondContact O-N 3.47Å; W196-C200 PolarHBondContact O-N 2.58Å; W196-F212 AromaticContact CH2-CE2 3.67Å; W196-F212 HydrophobicContact CH2-CE2 3.67Å; W196-F212 AromaticContact CH2-CZ 3.92Å; W196-F212 HydrophobicContact CH2-CZ 3.92Å; W196-F212 AromaticContact CZ2-CD2 3.92Å; W196-F212 HydrophobicContact CZ2-CD2 3.92Å; W196-F212 AromaticContact CZ2-CE2 3.26Å; W196-F212 HydrophobicContact CZ2-CE2 3.26Å; W196-F212 AromaticContact CZ2-CZ 3.98Å; W196-F212 HydrophobicContact CZ2-CZ 3.98Å; W196-I224 HydrophobicContact CZ2-CG2 3.96Å; W196-L252 HydrophobicContact CD2-CD2 4.15Å; W196-L252 HydrophobicContact CE3-CD2 4.22Å; W196-L252 HydrophobicContact CH2-CD2 4.4Å; W196-L252 HydrophobicContact CZ2-CD2 4.35Å; W196-L252 VanDerWaalsContact CZ3-C 3.45Å; W196-L252 HydrophobicContact CZ3-CB 4.27Å; W196-L252 HydrophobicContact CZ3-CD2 4.35Å; W196-L252 VanDerWaalsContact CZ3-O 3.27Å; W196-L252 WeakPolarHBondContact CZ3-O 3.18Å; W196-K254 HydrophobicContact CH2-CD 3.82Å; W196-K254 HydrophobicContact CZ3-CD 4.07Å |
| 197 | G | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.8 | -37.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y178 S193 D194 G199 C200 L201 | Y178-G197 WeakPolarHBondContact O-CA 3.4Å; S193-G197 PolarHBondContact O-N 3.46Å; D194-G197 PolarHBondContact O-N 2.84Å; G197-G199 VanDerWaalsContact C-N 3.35Å; G197-G199 PolarHBondContact O-N 3.15Å; G197-C200 PolarHBondContact O-N 3.43Å; G197-L201 WeakPolarHBondContact O-CB 3.42Å; G197-L201 PolarHBondContact O-N 3.39Å |
| 198 | L | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 170.5 | -170 | 71.1 | 0 | 0 | 0 | 112.7 | I105 V106 D194 W196 L201 F202 L251 L265 | I105-L198 HydrophobicContact CB-CD1 4.42Å; I105-L198 HydrophobicContact CG2-CD1 3.42Å; I105-L198 VanDerWaalsContact CG2-CD1 3.42Å; V106-L198 HydrophobicContact CG2-CD2 3.74Å; D194-L198 WeakPolarHBondContact O-CB 3.42Å; D194-L198 PolarHBondContact O-N 3.48Å; W196-L198 PolarHBondContact O-N 2.73Å; L198-L201 PolarHBondContact O-N 3.28Å; L198-F202 HydrophobicContact CD1-CD1 4.09Å; L198-F202 HydrophobicContact CD1-CE1 3.33Å; L198-F202 HydrophobicContact CD1-CE2 4.31Å; L198-F202 HydrophobicContact CD1-CZ 3.47Å; L198-F202 VanDerWaalsContact CD1-CZ 3.47Å; L198-F202 HydrophobicContact CD2-CE2 4.12Å; L198-F202 HydrophobicContact CD2-CZ 3.92Å; L198-F202 HydrophobicContact CG-CD1 4.27Å; L198-F202 HydrophobicContact CG-CD2 4.43Å; L198-F202 HydrophobicContact CG-CE1 3.78Å; L198-F202 HydrophobicContact CG-CE2 3.94Å; L198-F202 HydrophobicContact CG-CZ 3.6Å; L198-F202 WeakPolarHBondContact O-CB 3.26Å; L198-F202 WeakPolarHBondContact O-CD1 3.43Å; L198-F202 VanDerWaalsContact O-CG 3.25Å; L198-F202 WeakPolarHBondContact O-CG 3.5Å; L198-F202 PolarHBondContact O-N 2.81Å; L198-L251 HydrophobicContact CD2-CD2 4.06Å; L198-L265 HydrophobicContact CD2-CD2 3.86Å |
| 199 | G | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y195 W196 G197 L201 F202 Y203 | Y195-G199 PolarHBondContact O-N 3.27Å; Y195-G199 VanDerWaalsContact O-N 3.16Å; W196-G199 WeakPolarHBondContact O-CA 3.43Å; W196-G199 PolarHBondContact O-N 3.47Å; G197-G199 VanDerWaalsContact C-N 3.35Å; G197-G199 PolarHBondContact O-N 3.15Å; G199-L201 VanDerWaalsContact C-N 3.34Å; G199-L201 PolarHBondContact O-N 3.05Å; G199-F202 PolarHBondContact O-N 2.76Å; G199-Y203 WeakPolarHBondContact O-CB 3.27Å; G199-Y203 PolarHBondContact O-N 3.24Å |
| 200 | C | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.8 | -72.2 | 0 | 0 | 0 | 0 | 111.9 | Y178 W196 G197 N204 P211 | Y178-C200 HydrophobicContact CD1-CB 3.59Å; Y178-C200 HydrophobicContact CE1-CB 4.2Å; Y178-C200 HydrophobicContact CG-CB 4.26Å; W196-C200 PolarHBondContact O-N 2.58Å; G197-C200 PolarHBondContact O-N 3.43Å; C200-N204 WeakPolarHBondContact O-CB 3.39Å; C200-N204 PolarHBondContact O-N 3.19Å; C200-P211 HydrophobicContact CB-CG 4.09Å; C200-P211 VanDerWaalsContact SG-CG 3.51Å |
| 201 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 176.4 | -178.7 | 66.5 | 0 | 0 | 0 | 112.7 | L83 I105 P124 F127 G197 L198 G199 N204 M205 | L83-L201 HydrophobicContact CD2-CD1 4.11Å; L83-L201 HydrophobicContact CD2-CD2 4.43Å; I105-L201 HydrophobicContact CD1-CD2 3.87Å; P124-L201 HydrophobicContact CB-CD1 3.93Å; P124-L201 HydrophobicContact CG-CD1 3.73Å; F127-L201 HydrophobicContact CD2-CD2 3.95Å; F127-L201 HydrophobicContact CE1-CD2 4.45Å; F127-L201 HydrophobicContact CE2-CD1 4.31Å; F127-L201 HydrophobicContact CE2-CD2 3.3Å; F127-L201 HydrophobicContact CE2-CG 4.42Å; F127-L201 HydrophobicContact CZ-CD2 3.58Å; G197-L201 WeakPolarHBondContact O-CB 3.42Å; G197-L201 PolarHBondContact O-N 3.39Å; L198-L201 PolarHBondContact O-N 3.28Å; G199-L201 VanDerWaalsContact C-N 3.34Å; G199-L201 PolarHBondContact O-N 3.05Å; L201-N204 PolarHBondContact O-N 3.1Å; L201-M205 HydrophobicContact CG-CE 4.25Å; L201-M205 WeakPolarHBondContact O-CG 3.33Å; L201-M205 PolarHBondContact O-N 2.93Å |
| 202 | F | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 177.7 | -73.6 | 6.9 | 0 | 0 | 0 | 111.3 | I105 V106 L198 G199 M205 F206 F244 L247 L248 L251 W271 | I105-F202 HydrophobicContact CD1-CE1 4.49Å; V106-F202 HydrophobicContact CG2-CZ 4.15Å; L198-F202 HydrophobicContact CD1-CD1 4.09Å; L198-F202 HydrophobicContact CD1-CE1 3.33Å; L198-F202 HydrophobicContact CD1-CE2 4.31Å; L198-F202 HydrophobicContact CD1-CZ 3.47Å; L198-F202 VanDerWaalsContact CD1-CZ 3.47Å; L198-F202 HydrophobicContact CD2-CE2 4.12Å; L198-F202 HydrophobicContact CD2-CZ 3.92Å; L198-F202 HydrophobicContact CG-CD1 4.27Å; L198-F202 HydrophobicContact CG-CD2 4.43Å; L198-F202 HydrophobicContact CG-CE1 3.78Å; L198-F202 HydrophobicContact CG-CE2 3.94Å; L198-F202 HydrophobicContact CG-CZ 3.6Å; L198-F202 WeakPolarHBondContact O-CB 3.26Å; L198-F202 WeakPolarHBondContact O-CD1 3.43Å; L198-F202 VanDerWaalsContact O-CG 3.25Å; L198-F202 WeakPolarHBondContact O-CG 3.5Å; L198-F202 PolarHBondContact O-N 2.81Å; G199-F202 PolarHBondContact O-N 2.76Å; F202-M205 HydrophobicContact CD1-CE 3.45Å; F202-M205 VanDerWaalsContact CD1-CE 3.45Å; F202-M205 HydrophobicContact CE1-CE 3.89Å; F202-M205 HydrophobicContact CG-CE 4.44Å; F202-F206 PolarHBondContact O-N 2.95Å; F202-F244 HydrophobicContact CB-CE2 4.26Å; F202-F244 HydrophobicContact CB-CZ 4.35Å; F202-L247 HydrophobicContact CD2-CD2 4.18Å; F202-L247 HydrophobicContact CE2-CD2 4.13Å; F202-L248 HydrophobicContact CB-CD2 3.61Å; F202-L251 HydrophobicContact CD2-CD1 3.72Å; F202-L251 HydrophobicContact CE2-CD1 4.04Å; F202-W271 AromaticContact CE2-CH2 3.61Å; F202-W271 HydrophobicContact CE2-CH2 3.61Å; F202-W271 AromaticContact CE2-CZ2 3.92Å; F202-W271 HydrophobicContact CE2-CZ2 3.92Å; F202-W271 AromaticContact CZ-CH2 3.72Å; F202-W271 HydrophobicContact CZ-CH2 3.72Å; F202-W271 HydrophobicContact CZ-CZ2 4.27Å |
| 203 | Y | 94.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.8 | -50.2 | 172.1 | -175.9 | -72.4 | 0 | 0 | 0 | 110.7 | G199 M205 F206 F207 H209 P211 P229 N230 L248 L252 | G199-Y203 WeakPolarHBondContact O-CB 3.27Å; G199-Y203 PolarHBondContact O-N 3.24Å; Y203-M205 PolarHBondContact O-N 2.81Å; Y203-F206 PolarHBondContact O-N 3.39Å; Y203-F207 HydrophobicContact CD1-CB 4.24Å; Y203-F207 AromaticContact CD1-CD2 3.76Å; Y203-F207 HydrophobicContact CD1-CD2 3.76Å; Y203-F207 HydrophobicContact CD1-CG 4.42Å; Y203-F207 AromaticContact CD2-CD2 3.73Å; Y203-F207 HydrophobicContact CD2-CD2 3.73Å; Y203-F207 AromaticContact CD2-CE2 3.83Å; Y203-F207 HydrophobicContact CD2-CE2 3.83Å; Y203-F207 HydrophobicContact CE1-CB 3.88Å; Y203-F207 AromaticContact CE1-CD2 3.63Å; Y203-F207 HydrophobicContact CE1-CD2 3.63Å; Y203-F207 HydrophobicContact CE1-CE2 4.49Å; Y203-F207 HydrophobicContact CE1-CG 4.03Å; Y203-F207 AromaticContact CE2-CD2 3.63Å; Y203-F207 HydrophobicContact CE2-CD2 3.63Å; Y203-F207 AromaticContact CE2-CE2 3.67Å; Y203-F207 HydrophobicContact CE2-CE2 3.67Å; Y203-F207 AromaticContact CG-CD2 3.79Å; Y203-F207 HydrophobicContact CG-CD2 3.79Å; Y203-F207 HydrophobicContact CG-CE2 4.33Å; Y203-F207 AromaticContact CZ-CD2 3.58Å; Y203-F207 WeakPolarHBondContact O-CD2 3.36Å; Y203-F207 PolarHBondContact O-N 2.93Å; Y203-H209 VanDerWaalsContact CD1-O 3.22Å; Y203-H209 WeakPolarHBondContact CD1-O 3.25Å; Y203-H209 AromaticContact CE1-CE1 3.8Å; Y203-H209 AromaticContact CE1-ND1 3.98Å; Y203-H209 VanDerWaalsContact CE1-O 3.31Å; Y203-H209 WeakPolarHBondContact CE1-O 3.4Å; Y203-P211 HydrophobicContact CD1-CB 3.83Å; Y203-P211 HydrophobicContact CD1-CG 4.22Å; Y203-P211 HydrophobicContact CD2-CB 3.85Å; Y203-P211 VanDerWaalsContact CE1-CA 3.49Å; Y203-P211 HydrophobicContact CE1-CB 3.99Å; Y203-P211 HydrophobicContact CE2-CB 3.97Å; Y203-P211 HydrophobicContact CG-CB 3.78Å; Y203-P211 HydrophobicContact CG-CG 4.11Å; Y203-P229 HydrophobicContact CD2-CB 4.45Å; Y203-P229 HydrophobicContact CE2-CB 4.09Å; Y203-N230 PolarHBondContact OH-O 3.24Å; Y203-L248 HydrophobicContact CD2-CD1 4.33Å; Y203-L252 HydrophobicContact CD2-CD1 4.42Å |
| 204 | N | 94.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 13.2 Ų | 13.2 | 5% | 0.053 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 179.7 | -174.7 | 23.6 | 0 | 0 | 0 | 112.4 | Y178 C200 L201 F206 F207 G208 H209 | Y178-N204 HydrophobicContact CE1-CB 4.45Å; Y178-N204 PolarHBondContact OH-ND2 3.44Å; C200-N204 WeakPolarHBondContact O-CB 3.39Å; C200-N204 PolarHBondContact O-N 3.19Å; L201-N204 PolarHBondContact O-N 3.1Å; N204-F206 PolarHBondContact O-N 2.96Å; N204-F207 PolarHBondContact O-N 3.27Å; N204-G208 WeakPolarHBondContact O-CA 3.3Å; N204-G208 PolarHBondContact O-N 3Å; N204-G208 VanDerWaalsContact OD1-C 3.25Å; N204-H209 WeakPolarHBondContact CA-O 3.39Å; N204-H209 VanDerWaalsContact OD1-C 3.27Å; N204-H209 WeakPolarHBondContact OD1-CA 3.28Å; N204-H209 PolarHBondContact OD1-N 3.31Å |
| 205 | M | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -54.8 | -36.8 | 175.8 | -82.7 | -163.3 | -81 | 0 | 0 | 112.9 | L83 I87 L93 V98 F101 I105 L201 F202 Y203 | L83-M205 HydrophobicContact CD1-CG 4.49Å; L83-M205 HydrophobicContact CD1-SD 4.06Å; L83-M205 HydrophobicContact CD2-CG 4.48Å; L83-M205 HydrophobicContact CD2-SD 4Å; L83-M205 HydrophobicContact CG-SD 4.49Å; I87-M205 HydrophobicContact CD1-CB 4.48Å; I87-M205 HydrophobicContact CD1-CG 3.68Å; I87-M205 HydrophobicContact CG1-CG 4.1Å; L93-M205 WeakPolarHBondContact CA-O 3.43Å; L93-M205 VanDerWaalsContact CB-O 3.26Å; L93-M205 WeakPolarHBondContact CB-O 3.49Å; L93-M205 HydrophobicContact CD1-CB 4.14Å; L93-M205 HydrophobicContact CD1-CG 3.96Å; L93-M205 HydrophobicContact CD1-SD 4.03Å; L93-M205 PolarHBondContact N-O 3.46Å; V98-M205 HydrophobicContact CG1-CB 4.36Å; V98-M205 HydrophobicContact CG1-CE 4.19Å; V98-M205 HydrophobicContact CG2-CB 4.04Å; F101-M205 HydrophobicContact CB-SD 4.06Å; F101-M205 HydrophobicContact CD2-SD 4.18Å; I105-M205 HydrophobicContact CD1-CE 4.11Å; L201-M205 HydrophobicContact CG-CE 4.25Å; L201-M205 WeakPolarHBondContact O-CG 3.33Å; L201-M205 PolarHBondContact O-N 2.93Å; F202-M205 HydrophobicContact CD1-CE 3.45Å; F202-M205 VanDerWaalsContact CD1-CE 3.45Å; F202-M205 HydrophobicContact CE1-CE 3.89Å; F202-M205 HydrophobicContact CG-CE 4.44Å; Y203-M205 PolarHBondContact O-N 2.81Å |
| 206 | F | 93.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 18.9 Ų | 18.9 | 6% | 0.057 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -87.3 | -39.8 | -178.4 | -172.8 | -92.5 | 0 | 0 | 0 | 113.8 | F92 E95 V98 F202 Y203 N204 V236 P240 F244 | F92-F206 WeakPolarHBondContact CB-O 3.25Å; E95-F206 HydrophobicContact CB-CE2 4.14Å; V98-F206 HydrophobicContact CG2-CB 4.36Å; V98-F206 HydrophobicContact CG2-CD2 4.48Å; F202-F206 PolarHBondContact O-N 2.95Å; Y203-F206 PolarHBondContact O-N 3.39Å; N204-F206 PolarHBondContact O-N 2.96Å; F206-V236 HydrophobicContact CE1-CG1 4.2Å; F206-V236 HydrophobicContact CZ-CG1 4.38Å; F206-P240 HydrophobicContact CD1-CB 4.44Å; F206-P240 HydrophobicContact CE1-CB 3.83Å; F206-P240 HydrophobicContact CE1-CG 4.33Å; F206-P240 HydrophobicContact CZ-CB 3.94Å; F206-F244 HydrophobicContact CB-CE1 3.53Å; F206-F244 HydrophobicContact CB-CZ 3.91Å; F206-F244 HydrophobicContact CD1-CE1 4.1Å; F206-F244 HydrophobicContact CD2-CD1 4.16Å; F206-F244 AromaticContact CD2-CE1 3.76Å; F206-F244 HydrophobicContact CD2-CE1 3.76Å; F206-F244 HydrophobicContact CE2-CD1 4.5Å; F206-F244 HydrophobicContact CG-CD1 4.24Å; F206-F244 AromaticContact CG-CE1 3.52Å; F206-F244 HydrophobicContact CG-CE1 3.52Å; F206-F244 HydrophobicContact CG-CZ 4.36Å |
| 207 | F | 90.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 21.7 Ų | 21.7 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -98.9 | -11.3 | -173 | -70.2 | -70 | 0 | 0 | 0 | 115 | Y203 N204 H209 N233 V236 P240 L248 | Y203-F207 HydrophobicContact CD1-CB 4.24Å; Y203-F207 AromaticContact CD1-CD2 3.76Å; Y203-F207 HydrophobicContact CD1-CD2 3.76Å; Y203-F207 HydrophobicContact CD1-CG 4.42Å; Y203-F207 AromaticContact CD2-CD2 3.73Å; Y203-F207 HydrophobicContact CD2-CD2 3.73Å; Y203-F207 AromaticContact CD2-CE2 3.83Å; Y203-F207 HydrophobicContact CD2-CE2 3.83Å; Y203-F207 HydrophobicContact CE1-CB 3.88Å; Y203-F207 AromaticContact CE1-CD2 3.63Å; Y203-F207 HydrophobicContact CE1-CD2 3.63Å; Y203-F207 HydrophobicContact CE1-CE2 4.49Å; Y203-F207 HydrophobicContact CE1-CG 4.03Å; Y203-F207 AromaticContact CE2-CD2 3.63Å; Y203-F207 HydrophobicContact CE2-CD2 3.63Å; Y203-F207 AromaticContact CE2-CE2 3.67Å; Y203-F207 HydrophobicContact CE2-CE2 3.67Å; Y203-F207 AromaticContact CG-CD2 3.79Å; Y203-F207 HydrophobicContact CG-CD2 3.79Å; Y203-F207 HydrophobicContact CG-CE2 4.33Å; Y203-F207 AromaticContact CZ-CD2 3.58Å; Y203-F207 WeakPolarHBondContact O-CD2 3.36Å; Y203-F207 PolarHBondContact O-N 2.93Å; N204-F207 PolarHBondContact O-N 3.27Å; F207-H209 VanDerWaalsContact C-N 3.28Å; F207-H209 PolarHBondContact O-CD2 3.36Å; F207-H209 PolarHBondContact O-N 2.86Å; F207-N233 HydrophobicContact CD1-CB 3.77Å; F207-N233 HydrophobicContact CE1-CB 4.13Å; F207-V236 HydrophobicContact CD1-CG2 4.23Å; F207-P240 HydrophobicContact CZ-CG 4.11Å; F207-L248 HydrophobicContact CE2-CD1 4.43Å |
| 208 | G | 89.2 | Confident | 92.1 | Very high | 35 Ų | 35 | 27.4 Ų | 27.4 | 36% | 0.361 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 78.7 | 4.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | R91 N204 | R91-G208 WeakPolarHBondContact O-CA 3.46Å; N204-G208 WeakPolarHBondContact O-CA 3.3Å; N204-G208 PolarHBondContact O-N 3Å; N204-G208 VanDerWaalsContact OD1-C 3.25Å |
| 209 | H | 90.2 | Very high | 91.9 | Very high | 75 Ų | 75 | 31.5 Ų | 31.5 | 35% | 0.347 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -151.2 | 153.4 | 173.1 | 65.5 | 89.2 | 0 | 0 | 0 | 109.8 | Y203 N204 F207 N233 | Y203-H209 VanDerWaalsContact CD1-O 3.22Å; Y203-H209 WeakPolarHBondContact CD1-O 3.25Å; Y203-H209 AromaticContact CE1-CE1 3.8Å; Y203-H209 AromaticContact CE1-ND1 3.98Å; Y203-H209 VanDerWaalsContact CE1-O 3.31Å; Y203-H209 WeakPolarHBondContact CE1-O 3.4Å; N204-H209 WeakPolarHBondContact CA-O 3.39Å; N204-H209 VanDerWaalsContact OD1-C 3.27Å; N204-H209 WeakPolarHBondContact OD1-CA 3.28Å; N204-H209 PolarHBondContact OD1-N 3.31Å; F207-H209 VanDerWaalsContact C-N 3.28Å; F207-H209 PolarHBondContact O-CD2 3.36Å; F207-H209 PolarHBondContact O-N 2.86Å; H209-N233 PolarHBondContact NE2-ND2 2.9Å |
| 210 | P | 92.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | trans | -64.8 | 161.5 | 174.4 | 25 | -31.4 | 0 | 0 | 0 | 112.7 | E177 F212 | E177-P210 HydrophobicContact CB-CB 4Å; E177-P210 HydrophobicContact CB-CG 3.86Å; E177-P210 HydrophobicContact CG-CG 4.24Å; E177-P210 WeakPolarHBondContact OE2-CG 3.25Å; P210-F212 VanDerWaalsContact C-N 3.3Å; P210-F212 PolarHBondContact O-N 2.91Å | ||
| 211 | P | 93.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 7% | 0.071 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -70.5 | -24.7 | -178 | 25.1 | -31.4 | 0 | 0 | 0 | 113.8 | C200 Y203 P229 L252 | C200-P211 HydrophobicContact CB-CG 4.09Å; C200-P211 VanDerWaalsContact SG-CG 3.51Å; Y203-P211 HydrophobicContact CD1-CB 3.83Å; Y203-P211 HydrophobicContact CD1-CG 4.22Å; Y203-P211 HydrophobicContact CD2-CB 3.85Å; Y203-P211 VanDerWaalsContact CE1-CA 3.49Å; Y203-P211 HydrophobicContact CE1-CB 3.99Å; Y203-P211 HydrophobicContact CE2-CB 3.97Å; Y203-P211 HydrophobicContact CG-CB 3.78Å; Y203-P211 HydrophobicContact CG-CG 4.11Å; P211-P229 HydrophobicContact CB-CB 3.85Å; P211-L252 HydrophobicContact CB-CD1 4.21Å; P211-L252 HydrophobicContact CG-CD1 4.13Å; P211-L252 HydrophobicContact CG-CD2 4.48Å |
| 212 | F | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -129.1 | 138 | -179.9 | -43.4 | -66.6 | 0 | 0 | 0 | 108.8 | W196 P210 L220 N223 I224 R227 P229 L252 | W196-F212 AromaticContact CH2-CE2 3.67Å; W196-F212 HydrophobicContact CH2-CE2 3.67Å; W196-F212 AromaticContact CH2-CZ 3.92Å; W196-F212 HydrophobicContact CH2-CZ 3.92Å; W196-F212 AromaticContact CZ2-CD2 3.92Å; W196-F212 HydrophobicContact CZ2-CD2 3.92Å; W196-F212 AromaticContact CZ2-CE2 3.26Å; W196-F212 HydrophobicContact CZ2-CE2 3.26Å; W196-F212 AromaticContact CZ2-CZ 3.98Å; W196-F212 HydrophobicContact CZ2-CZ 3.98Å; P210-F212 VanDerWaalsContact C-N 3.3Å; P210-F212 PolarHBondContact O-N 2.91Å; F212-L220 HydrophobicContact CB-CD1 4.49Å; F212-N223 HydrophobicContact CB-CB 4.42Å; F212-I224 HydrophobicContact CB-CG1 3.62Å; F212-I224 HydrophobicContact CD2-CG1 3.93Å; F212-I224 HydrophobicContact CG-CG1 3.91Å; F212-R227 WeakPolarHBondContact CE1-O 3.27Å; F212-P229 HydrophobicContact CE1-CB 4.28Å; F212-P229 HydrophobicContact CZ-CB 4.18Å; F212-P229 HydrophobicContact CZ-CG 4.47Å; F212-L252 HydrophobicContact CE2-CD2 4.33Å | ||
| 213 | S | 90 | Very high | 91.3 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | trans | -151.8 | 164.7 | 176.8 | 59.2 | 0 | 0 | 0 | 0 | 108.7 | E177 N223 | E177-S213 WeakPolarHBondContact OE1-CB 3.49Å; S213-N223 PolarHBondContact O-ND2 3.48Å | ||
| 214 | G | 87.1 | Confident | 91.3 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 36% | 0.361 | 24% | 0.244 | S | C | . | . | trans | -159.8 | 156 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 215 | G | 86.3 | Confident | 91.2 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 80% | 0.804 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -78.3 | -19.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E219 | G215-E219 PolarHBondContact N-OE2 3.46Š|
| 216 | S | 88.4 | Confident | 91.1 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -136.5 | 167.8 | 170.5 | 81.6 | 0 | 0 | 0 | 0 | 110.8 | E218 E219 L220 | S216-E218 VanDerWaalsContact C-N 3.31Å; S216-E218 WeakPolarHBondContact CB-OE2 3.45Å; S216-E218 PolarHBondContact O-N 3.38Å; S216-E218 PolarHBondContact OG-OE2 3.31Å; S216-E219 PolarHBondContact O-N 3.5Å; S216-E219 PolarHBondContact OG-N 2.89Å; S216-L220 PolarHBondContact O-N 2.86Å |
| 217 | Q | 88.3 | Confident | 90.9 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 179 | -164.7 | 66 | 54.6 | 0 | 0 | 111.4 | H175 E219 L220 D221 | H175-Q217 PolarHBondContact O-NE2 3.27Å; Q217-E219 PolarHBondContact O-N 2.91Å; Q217-L220 PolarHBondContact O-N 3.48Å; Q217-L220 VanDerWaalsContact O-N 3.16Å; Q217-D221 PolarHBondContact NE2-OD1 3.38Å; Q217-D221 WeakPolarHBondContact O-CB 3.44Å; Q217-D221 PolarHBondContact O-N 3.19Å |
| 218 | E | 89 | Confident | 90.9 | Very high | 120 Ų | 120 | 60.5 Ų | 60.5 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -72.1 | -16.3 | -178.5 | -44.3 | 81.3 | 176 | 0 | 0 | 113.2 | S216 R222 | S216-E218 VanDerWaalsContact C-N 3.31Å; S216-E218 WeakPolarHBondContact CB-OE2 3.45Å; S216-E218 PolarHBondContact O-N 3.38Å; S216-E218 PolarHBondContact OG-OE2 3.31Å; E218-R222 VanDerWaalsContact O-CB 3.23Å; E218-R222 WeakPolarHBondContact O-CB 3.28Å; E218-R222 PolarHBondContact O-NE 2.87Å; E218-R222 PolarHBondContact O-NH2 3.23Å |
| 219 | E | 91.3 | Very high | 90.9 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -84.7 | -43.7 | 167.8 | -169.2 | -172.4 | -177.1 | 0 | 0 | 111 | G215 S216 Q217 R222 N223 | G215-E219 PolarHBondContact N-OE2 3.46Å; S216-E219 PolarHBondContact O-N 3.5Å; S216-E219 PolarHBondContact OG-N 2.89Å; Q217-E219 PolarHBondContact O-N 2.91Å; E219-R222 PolarHBondContact O-N 3.02Å; E219-N223 WeakPolarHBondContact O-CB 3.42Å; E219-N223 PolarHBondContact O-N 3.23Å; E219-N223 PolarHBondContact O-ND2 3.31Å |
| 220 | L | 93 | Very high | 90.7 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -52.7 | 177.1 | 177 | 57.7 | 0 | 0 | 0 | 111.2 | E177 F212 S216 Q217 R222 N223 I224 | E177-L220 HydrophobicContact CB-CD1 4.48Å; E177-L220 HydrophobicContact CG-CD1 3.93Å; E177-L220 HydrophobicContact CG-CD2 4.05Å; F212-L220 HydrophobicContact CB-CD1 4.49Å; S216-L220 PolarHBondContact O-N 2.86Å; Q217-L220 PolarHBondContact O-N 3.48Å; Q217-L220 VanDerWaalsContact O-N 3.16Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.81Å; L220-N223 WeakPolarHBondContact O-CB 3.38Å; L220-N223 PolarHBondContact O-N 3.49Å; L220-N223 VanDerWaalsContact O-N 3.09Å; L220-I224 HydrophobicContact CD1-CD1 3.75Å; L220-I224 HydrophobicContact CD1-CG1 4.16Å; L220-I224 HydrophobicContact CG-CD1 3.91Å; L220-I224 WeakPolarHBondContact O-CG1 3.23Å; L220-I224 PolarHBondContact O-N 3.08Å |
| 221 | D | 92.5 | Very high | 90.2 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.15 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 178.8 | -66.8 | 0.3 | 0 | 0 | 0 | 110.7 | H175 I184 Q217 N223 I224 L225 | H175-D221 IonicContact CE1-OD2 2.99Å; H175-D221 PolarHBondContact CE1-OD2 3.26Å; H175-D221 IonicContact CG-OD1 2.74Å; H175-D221 VanDerWaalsContact ND1-CG 3.26Å; H175-D221 IonicContact ND1-OD1 2.69Å; H175-D221 PolarHBondContact ND1-OD1 3.49Å; H175-D221 IonicContact ND1-OD2 3.2Å; H175-D221 PolarHBondContact ND1-OD2 3Å; I184-D221 HydrophobicContact CG2-CB 3.68Å; Q217-D221 PolarHBondContact NE2-OD1 3.38Å; Q217-D221 WeakPolarHBondContact O-CB 3.44Å; Q217-D221 PolarHBondContact O-N 3.19Å; D221-N223 VanDerWaalsContact C-N 3.35Å; D221-N223 PolarHBondContact O-N 3.08Å; D221-I224 PolarHBondContact O-N 3.02Å; D221-L225 WeakPolarHBondContact O-CB 3.23Å; D221-L225 VanDerWaalsContact O-CG 3.25Å; D221-L225 WeakPolarHBondContact O-CG 3.38Å; D221-L225 PolarHBondContact O-N 3.13Å |
| 222 | R | 93.2 | Very high | 89.2 | Confident | 154 Ų | 154 | 64.3 Ų | 64.3 | 58% | 0.581 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.5 | -38.4 | 176.3 | -171.5 | -172.2 | -45.6 | 166.5 | 11.5 | 112.5 | E218 E219 L220 N226 | E218-R222 VanDerWaalsContact O-CB 3.23Å; E218-R222 WeakPolarHBondContact O-CB 3.28Å; E218-R222 PolarHBondContact O-NE 2.87Å; E218-R222 PolarHBondContact O-NH2 3.23Å; E219-R222 PolarHBondContact O-N 3.02Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.81Å; R222-N226 WeakPolarHBondContact O-CB 3.25Å; R222-N226 PolarHBondContact O-N 3.32Å; R222-N226 PolarHBondContact O-ND2 3.03Å |
| 223 | N | 93.5 | Very high | 87.8 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 12% | 0.118 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.6 | -44.9 | 175.6 | -79.9 | -30.1 | 0 | 0 | 0 | 111.3 | F212 S213 E219 L220 D221 L225 N226 R227 | F212-N223 HydrophobicContact CB-CB 4.42Å; S213-N223 PolarHBondContact O-ND2 3.48Å; E219-N223 WeakPolarHBondContact O-CB 3.42Å; E219-N223 PolarHBondContact O-N 3.23Å; E219-N223 PolarHBondContact O-ND2 3.31Å; L220-N223 WeakPolarHBondContact O-CB 3.38Å; L220-N223 PolarHBondContact O-N 3.49Å; L220-N223 VanDerWaalsContact O-N 3.09Å; D221-N223 VanDerWaalsContact C-N 3.35Å; D221-N223 PolarHBondContact O-N 3.08Å; N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 3.07Å; N223-N226 PolarHBondContact O-N 3.32Å; N223-R227 HydrophobicContact CB-CB 4.3Å; N223-R227 VanDerWaalsContact O-CB 3.28Å; N223-R227 WeakPolarHBondContact O-CB 3.42Å; N223-R227 PolarHBondContact O-N 2.93Å; N223-R227 VanDerWaalsContact OD1-CD 3.29Å; N223-R227 WeakPolarHBondContact OD1-CD 3.28Å |
| 224 | I | 93.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.1 | -68.4 | 170 | 0 | 0 | 0 | 111.1 | S176 P181 I184 W196 F212 L220 D221 K254 | S176-I224 WeakPolarHBondContact O-CD1 2.72Å; P181-I224 HydrophobicContact CG-CG2 4.22Å; I184-I224 HydrophobicContact CD1-CB 3.71Å; I184-I224 HydrophobicContact CD1-CD1 3.54Å; I184-I224 HydrophobicContact CD1-CG1 4.21Å; I184-I224 HydrophobicContact CD1-CG2 3.55Å; W196-I224 HydrophobicContact CZ2-CG2 3.96Å; F212-I224 HydrophobicContact CB-CG1 3.62Å; F212-I224 HydrophobicContact CD2-CG1 3.93Å; F212-I224 HydrophobicContact CG-CG1 3.91Å; L220-I224 HydrophobicContact CD1-CD1 3.75Å; L220-I224 HydrophobicContact CD1-CG1 4.16Å; L220-I224 HydrophobicContact CG-CD1 3.91Å; L220-I224 WeakPolarHBondContact O-CG1 3.23Å; L220-I224 PolarHBondContact O-N 3.08Å; D221-I224 PolarHBondContact O-N 3.02Å; I224-K254 PolarHBondContact O-NZ 3.32Å |
| 225 | L | 92.8 | Very high | 85.2 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 34% | 0.34 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70 | -50 | 175.8 | -68.7 | 170.5 | 0 | 0 | 0 | 112.9 | P181 I184 D221 N223 | P181-L225 HydrophobicContact CB-CD2 4.15Å; I184-L225 HydrophobicContact CG2-CD1 4.18Å; I184-L225 HydrophobicContact CG2-CG 4.26Å; D221-L225 WeakPolarHBondContact O-CB 3.23Å; D221-L225 VanDerWaalsContact O-CG 3.25Å; D221-L225 WeakPolarHBondContact O-CG 3.38Å; D221-L225 PolarHBondContact O-N 3.13Å; N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 3.07Å |
| 226 | N | 91.4 | Very high | 84 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 66% | 0.658 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -112.7 | -20.3 | -161.4 | -56 | -85 | 0 | 0 | 0 | 116.2 | R222 N223 | R222-N226 WeakPolarHBondContact O-CB 3.25Å; R222-N226 PolarHBondContact O-N 3.32Å; R222-N226 PolarHBondContact O-ND2 3.03Å; N223-N226 PolarHBondContact O-N 3.32Å |
| 227 | R | 90.4 | Very high | 82.8 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 45% | 0.449 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -96 | 137.8 | -171.3 | -176.4 | 178 | 172.6 | -175.7 | -0.9 | 111.5 | F212 N223 K254 | F212-R227 WeakPolarHBondContact CE1-O 3.27Å; N223-R227 HydrophobicContact CB-CB 4.3Å; N223-R227 VanDerWaalsContact O-CB 3.28Å; N223-R227 WeakPolarHBondContact O-CB 3.42Å; N223-R227 PolarHBondContact O-N 2.93Å; N223-R227 VanDerWaalsContact OD1-CD 3.29Å; N223-R227 WeakPolarHBondContact OD1-CD 3.28Å; R227-K254 WeakPolarHBondContact O-CE 3.15Å; R227-K254 PolarHBondContact O-NZ 2.88Å |
| 228 | E | 90.1 | Very high | 82 | Confident | 119 Ų | 119 | 76.7 Ų | 76.7 | 56% | 0.556 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 145.8 | 172.7 | -70.3 | -57.8 | 122.2 | 0 | 0 | 112.1 | K254 | E228-K254 VanDerWaalsContact OE1-CE 3.31Å; E228-K254 WeakPolarHBondContact OE1-CE 3.38Å |
| 229 | P | 88 | Confident | 81.5 | Confident | 9 Ų | 9 | 76 Ų | 76 | 6% | 0.058 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 135.1 | -177.5 | 29.2 | -35.4 | 0 | 0 | 0 | 112.3 | Y203 P211 F212 Y231 L252 | Y203-P229 HydrophobicContact CD2-CB 4.45Å; Y203-P229 HydrophobicContact CE2-CB 4.09Å; P211-P229 HydrophobicContact CB-CB 3.85Å; F212-P229 HydrophobicContact CE1-CB 4.28Å; F212-P229 HydrophobicContact CZ-CB 4.18Å; F212-P229 HydrophobicContact CZ-CG 4.47Å; P229-Y231 HydrophobicContact CG-CE1 4.4Å; P229-Y231 HydrophobicContact CG-CE2 3.97Å; P229-Y231 WeakPolarHBondContact CG-OH 3.34Å; P229-Y231 WeakPolarHBondContact O-CD2 3.38Å; P229-Y231 PolarHBondContact O-N 3.1Å; P229-L252 HydrophobicContact CB-CD1 4.09Å; P229-L252 HydrophobicContact CG-CB 4.49Å; P229-L252 HydrophobicContact CG-CD1 4Å |
| 230 | N | 85.7 | Confident | 81.3 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | trans | -88 | 96.7 | -178.5 | 175.7 | 26.9 | 0 | 0 | 0 | 112.6 | Y203 S232 | Y203-N230 PolarHBondContact OH-O 3.24Å; N230-S232 PolarHBondContact ND2-O 3.15Å; N230-S232 PolarHBondContact O-N 3.46Å; N230-S232 WeakPolarHBondContact OD1-CB 3.31Å; N230-S232 PolarHBondContact OD1-N 3.35Å; N230-S232 PolarHBondContact OD1-O 3.47Å | ||
| 231 | Y | 84 | Confident | 81.2 | Confident | 34 Ų | 34 | 74 Ų | 74 | 13% | 0.133 | 40% | 0.402 | C | S | . | . | trans | -67.7 | 11 | 176.3 | -55.1 | -75 | 0 | 0 | 0 | 116.1 | P229 K245 L248 T249 | P229-Y231 HydrophobicContact CG-CE1 4.4Å; P229-Y231 HydrophobicContact CG-CE2 3.97Å; P229-Y231 WeakPolarHBondContact CG-OH 3.34Å; P229-Y231 WeakPolarHBondContact O-CD2 3.38Å; P229-Y231 PolarHBondContact O-N 3.1Å; Y231-K245 HydrophobicContact CD1-CG 4.13Å; Y231-K245 HydrophobicContact CD2-CD 4.45Å; Y231-K245 VanDerWaalsContact CD2-CE 3.49Å; Y231-K245 HydrophobicContact CD2-CG 4.47Å; Y231-K245 HydrophobicContact CE1-CG 4.34Å; Y231-K245 HydrophobicContact CG-CD 4.24Å; Y231-K245 HydrophobicContact CG-CG 4.19Å; Y231-L248 HydrophobicContact CD1-CD1 4.29Å; Y231-L248 HydrophobicContact CE1-CB 3.79Å; Y231-L248 HydrophobicContact CE1-CD1 4Å; Y231-T249 WeakPolarHBondContact OH-CA 3.31Å; Y231-T249 PolarHBondContact OH-N 3.32Å; Y231-T249 PolarHBondContact OH-OG1 3.48Å | ||
| 232 | S | 71.3 | Confident | 81.1 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | trans | -122.3 | 104.7 | -177 | -41.3 | 0 | 0 | 0 | 0 | 111 | N230 | N230-S232 PolarHBondContact ND2-O 3.15Å; N230-S232 PolarHBondContact O-N 3.46Å; N230-S232 WeakPolarHBondContact OD1-CB 3.31Å; N230-S232 PolarHBondContact OD1-N 3.35Å; N230-S232 PolarHBondContact OD1-O 3.47Å | ||
| 233 | N | 65.1 | Low | 81.1 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 17% | 0.171 | 42% | 0.415 | C | S | . | . | trans | -123.5 | 116.4 | 176.7 | -178.3 | -18.6 | 0 | 0 | 0 | 109.5 | F207 H209 N235 V236 | F207-N233 HydrophobicContact CD1-CB 3.77Å; F207-N233 HydrophobicContact CE1-CB 4.13Å; H209-N233 PolarHBondContact NE2-ND2 2.9Å; N233-N235 PolarHBondContact O-N 2.72Å; N233-N235 WeakPolarHBondContact OD1-CB 3.4Å; N233-N235 PolarHBondContact OD1-N 3.28Å; N233-V236 HydrophobicContact CB-CG2 4.27Å; N233-V236 PolarHBondContact O-N 2.98Å | ||
| 234 | P | 59.3 | Low | 81.1 | Confident | 127 Ų | 127 | 71.9 Ų | 71.9 | 83% | 0.825 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.6 | -175.6 | 28.8 | -36 | 0 | 0 | 0 | 113.9 | V236 | P234-V236 VanDerWaalsContact C-N 3.29Å; P234-V236 PolarHBondContact O-N 2.65Å |
| 235 | N | 62.9 | Low | 81.1 | Confident | 132 Ų | 132 | 76.3 Ų | 76.3 | 71% | 0.706 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -12.6 | 178.5 | -61.3 | -36.6 | 0 | 0 | 0 | 113.1 | N233 | N233-N235 PolarHBondContact O-N 2.72Å; N233-N235 WeakPolarHBondContact OD1-CB 3.4Å; N233-N235 PolarHBondContact OD1-N 3.28Å |
| 236 | V | 61.8 | Low | 81.1 | Confident | 24 Ų | 24 | 75.7 Ų | 75.7 | 15% | 0.145 | 43% | 0.43 | C | S | . | . | trans | -100.3 | 103.4 | 178.4 | -170 | 0 | 0 | 0 | 0 | 108.9 | F206 F207 N233 P234 I238 | F206-V236 HydrophobicContact CE1-CG1 4.2Å; F206-V236 HydrophobicContact CZ-CG1 4.38Å; F207-V236 HydrophobicContact CD1-CG2 4.23Å; N233-V236 HydrophobicContact CB-CG2 4.27Å; N233-V236 PolarHBondContact O-N 2.98Å; P234-V236 VanDerWaalsContact C-N 3.29Å; P234-V236 PolarHBondContact O-N 2.65Å; V236-I238 WeakPolarHBondContact CG1-O 3.28Å; V236-I238 PolarHBondContact O-N 3.3Å | ||
| 237 | S | 61.9 | Low | 81.3 | Confident | 122 Ų | 122 | 69.8 Ų | 69.8 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -61.9 | -3.8 | -175.6 | -178.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 238 | I | 70.9 | Confident | 81.6 | Confident | 108 Ų | 108 | 64.1 Ų | 64.1 | 55% | 0.554 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -137 | 118.9 | 178.7 | -53.7 | 175.9 | 0 | 0 | 0 | 107.5 | V236 | V236-I238 WeakPolarHBondContact CG1-O 3.28Å; V236-I238 PolarHBondContact O-N 3.3Å |
| 239 | P | 79.9 | Confident | 81.8 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 69% | 0.688 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 155.5 | 177.2 | 28.5 | -34.9 | 0 | 0 | 0 | 111.4 | ||
| 240 | P | 86.7 | Confident | 82.1 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 14% | 0.136 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 144.9 | 176.8 | 28.3 | -36.5 | 0 | 0 | 0 | 111.2 | F206 F207 F244 | F206-P240 HydrophobicContact CD1-CB 4.44Å; F206-P240 HydrophobicContact CE1-CB 3.83Å; F206-P240 HydrophobicContact CE1-CG 4.33Å; F206-P240 HydrophobicContact CZ-CB 3.94Å; F207-P240 HydrophobicContact CZ-CG 4.11Å; P240-F244 HydrophobicContact CB-CD1 3.76Å |
| 241 | S | 91 | Very high | 82.6 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 26% | 0.259 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 155.4 | 174.4 | 76.8 | 0 | 0 | 0 | 0 | 111.6 | E95 L243 F244 K245 | E95-S241 WeakPolarHBondContact OE1-CB 3.1Å; E95-S241 PolarHBondContact OE1-OG 3.06Å; E95-S241 WeakPolarHBondContact OE2-CB 3.32Å; E95-S241 PolarHBondContact OE2-N 3.33Å; E95-S241 PolarHBondContact OE2-OG 3.29Å; S241-L243 PolarHBondContact O-N 2.82Å; S241-F244 PolarHBondContact O-N 3.49Å; S241-F244 VanDerWaalsContact O-N 3.11Å; S241-F244 PolarHBondContact OG-N 3.07Å; S241-K245 WeakPolarHBondContact O-CB 3.33Å; S241-K245 PolarHBondContact O-N 3.43Å |
| 242 | S | 90.6 | Very high | 83.2 | Confident | 98 Ų | 98 | 57.1 Ų | 57.1 | 69% | 0.685 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56.8 | -34.6 | 174.3 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | S246 | S242-S246 VanDerWaalsContact O-CB 3.23Å; S242-S246 WeakPolarHBondContact O-CB 3.24Å; S242-S246 PolarHBondContact O-N 2.73Å |
| 243 | L | 93 | Very high | 84.3 | Confident | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.2 | -45.6 | 174.4 | -60.4 | -177.4 | 0 | 0 | 0 | 111.8 | S241 S246 L247 H268 F270 | S241-L243 PolarHBondContact O-N 2.82Å; L243-S246 PolarHBondContact O-N 3.29Å; L243-L247 PolarHBondContact O-N 3.41Å; L243-H268 VanDerWaalsContact CA-CE1 3.48Å; L243-H268 WeakPolarHBondContact CA-CE1 3.4Å; L243-H268 PolarHBondContact O-CE1 2.8Å; L243-F270 HydrophobicContact CB-CB 4.4Å |
| 244 | F | 93.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | 178.5 | -174.6 | -125.8 | 0 | 0 | 0 | 112 | E95 V98 F202 F206 P240 S241 L247 L248 F270 | E95-F244 HydrophobicContact CG-CB 4.16Å; E95-F244 HydrophobicContact CG-CD1 4.48Å; E95-F244 HydrophobicContact CG-CG 4.19Å; V98-F244 HydrophobicContact CG1-CE2 3.79Å; V98-F244 HydrophobicContact CG1-CZ 3.87Å; F202-F244 HydrophobicContact CB-CE2 4.26Å; F202-F244 HydrophobicContact CB-CZ 4.35Å; F206-F244 HydrophobicContact CB-CE1 3.53Å; F206-F244 HydrophobicContact CB-CZ 3.91Å; F206-F244 HydrophobicContact CD1-CE1 4.1Å; F206-F244 HydrophobicContact CD2-CD1 4.16Å; F206-F244 AromaticContact CD2-CE1 3.76Å; F206-F244 HydrophobicContact CD2-CE1 3.76Å; F206-F244 HydrophobicContact CE2-CD1 4.5Å; F206-F244 HydrophobicContact CG-CD1 4.24Å; F206-F244 AromaticContact CG-CE1 3.52Å; F206-F244 HydrophobicContact CG-CE1 3.52Å; F206-F244 HydrophobicContact CG-CZ 4.36Å; P240-F244 HydrophobicContact CB-CD1 3.76Å; S241-F244 PolarHBondContact O-N 3.49Å; S241-F244 VanDerWaalsContact O-N 3.11Å; S241-F244 PolarHBondContact OG-N 3.07Å; F244-L247 PolarHBondContact O-N 3.4Å; F244-L248 HydrophobicContact CD1-CD1 4.14Å; F244-L248 HydrophobicContact CD2-CG 4.49Å; F244-L248 HydrophobicContact CE1-CD1 3.64Å; F244-L248 HydrophobicContact CE1-CG 4.22Å; F244-L248 HydrophobicContact CE2-CD1 4.41Å; F244-L248 HydrophobicContact CE2-CD2 4.17Å; F244-L248 HydrophobicContact CE2-CG 4.1Å; F244-L248 HydrophobicContact CZ-CD1 3.79Å; F244-L248 HydrophobicContact CZ-CD2 4Å; F244-L248 HydrophobicContact CZ-CG 3.95Å; F244-L248 WeakPolarHBondContact O-CG 3.28Å; F244-L248 PolarHBondContact O-N 2.92Å; F244-F270 HydrophobicContact CB-CD2 3.87Å; F244-F270 HydrophobicContact CB-CE2 3.65Å; F244-F270 HydrophobicContact CD2-CD2 4.05Å; F244-F270 HydrophobicContact CD2-CE1 4.17Å; F244-F270 AromaticContact CD2-CE2 3.43Å; F244-F270 HydrophobicContact CD2-CE2 3.43Å; F244-F270 VanDerWaalsContact CD2-CE2 3.43Å; F244-F270 AromaticContact CD2-CZ 3.49Å; F244-F270 HydrophobicContact CD2-CZ 3.49Å; F244-F270 VanDerWaalsContact CD2-CZ 3.49Å; F244-F270 HydrophobicContact CE2-CE2 4.41Å; F244-F270 HydrophobicContact CE2-CZ 4.06Å; F244-F270 HydrophobicContact CG-CD2 4.41Å; F244-F270 AromaticContact CG-CE2 3.83Å; F244-F270 HydrophobicContact CG-CE2 3.83Å; F244-F270 HydrophobicContact CG-CZ 4.29Å |
| 245 | K | 92.8 | Very high | 87 | Confident | 94 Ų | 94 | 51.9 Ų | 51.9 | 41% | 0.409 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 173.5 | -172.6 | 173.8 | 179.1 | 176.1 | 0 | 111.7 | Y231 S241 L247 L248 T249 | Y231-K245 HydrophobicContact CD1-CG 4.13Å; Y231-K245 HydrophobicContact CD2-CD 4.45Å; Y231-K245 VanDerWaalsContact CD2-CE 3.49Å; Y231-K245 HydrophobicContact CD2-CG 4.47Å; Y231-K245 HydrophobicContact CE1-CG 4.34Å; Y231-K245 HydrophobicContact CG-CD 4.24Å; Y231-K245 HydrophobicContact CG-CG 4.19Å; S241-K245 WeakPolarHBondContact O-CB 3.33Å; S241-K245 PolarHBondContact O-N 3.43Å; K245-L247 VanDerWaalsContact C-N 3.33Å; K245-L247 PolarHBondContact O-N 3.02Å; K245-L248 PolarHBondContact O-N 3.31Å; K245-T249 PolarHBondContact O-N 3.36Å; K245-T249 PolarHBondContact O-OG1 2.84Å; K245-T249 VanDerWaalsContact O-OG1 3.11Å |
| 246 | S | 93.9 | Very high | 88.4 | Confident | 51 Ų | 51 | 48 Ų | 48 | 36% | 0.357 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 174 | 170.3 | 0 | 0 | 0 | 0 | 112 | S242 L243 S250 H268 | S242-S246 VanDerWaalsContact O-CB 3.23Å; S242-S246 WeakPolarHBondContact O-CB 3.24Å; S242-S246 PolarHBondContact O-N 2.73Å; L243-S246 PolarHBondContact O-N 3.29Å; S246-S250 WeakPolarHBondContact O-CB 3.32Å; S246-S250 PolarHBondContact O-N 3.23Å; S246-S250 VanDerWaalsContact O-N 3.08Å; S246-S250 PolarHBondContact O-OG 2.79Å; S246-H268 VanDerWaalsContact C-NE2 3.3Å; S246-H268 WeakPolarHBondContact CB-NE2 3.49Å; S246-H268 PolarHBondContact OG-NE2 2.84Å |
| 247 | L | 95.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -48.3 | 176.1 | 179.1 | 59 | 0 | 0 | 0 | 111.6 | F202 L243 F244 K245 T249 S250 L251 I260 L265 H268 F270 W271 | F202-L247 HydrophobicContact CD2-CD2 4.18Å; F202-L247 HydrophobicContact CE2-CD2 4.13Å; L243-L247 PolarHBondContact O-N 3.41Å; F244-L247 PolarHBondContact O-N 3.4Å; K245-L247 VanDerWaalsContact C-N 3.33Å; K245-L247 PolarHBondContact O-N 3.02Å; L247-T249 PolarHBondContact O-N 2.99Å; L247-S250 PolarHBondContact O-N 3.2Å; L247-L251 HydrophobicContact CD1-CD1 3.87Å; L247-L251 HydrophobicContact CD1-CG 4.19Å; L247-L251 HydrophobicContact CG-CD1 3.86Å; L247-L251 WeakPolarHBondContact O-CG 3.28Å; L247-L251 PolarHBondContact O-N 2.89Å; L247-I260 HydrophobicContact CD1-CD1 4.42Å; L247-L265 HydrophobicContact CD1-CD1 3.67Å; L247-H268 HydrophobicContact CD1-CB 4.35Å; L247-H268 PolarHBondContact N-CE1 3.14Å; L247-H268 PolarHBondContact N-NE2 3.25Å; L247-F270 HydrophobicContact CD2-CB 4.08Å; L247-F270 HydrophobicContact CD2-CD1 3.32Å; L247-F270 HydrophobicContact CD2-CE1 3.88Å; L247-F270 HydrophobicContact CD2-CG 3.81Å; L247-W271 HydrophobicContact CD2-CH2 4.29Å; L247-W271 HydrophobicContact CD2-CZ2 3.86Å |
| 248 | L | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 178.6 | -71.1 | 179.6 | 0 | 0 | 0 | 112.8 | F202 Y203 F207 Y231 F244 K245 S250 L251 L252 | F202-L248 HydrophobicContact CB-CD2 3.61Å; Y203-L248 HydrophobicContact CD2-CD1 4.33Å; F207-L248 HydrophobicContact CE2-CD1 4.43Å; Y231-L248 HydrophobicContact CD1-CD1 4.29Å; Y231-L248 HydrophobicContact CE1-CB 3.79Å; Y231-L248 HydrophobicContact CE1-CD1 4Å; F244-L248 HydrophobicContact CD1-CD1 4.14Å; F244-L248 HydrophobicContact CD2-CG 4.49Å; F244-L248 HydrophobicContact CE1-CD1 3.64Å; F244-L248 HydrophobicContact CE1-CG 4.22Å; F244-L248 HydrophobicContact CE2-CD1 4.41Å; F244-L248 HydrophobicContact CE2-CD2 4.17Å; F244-L248 HydrophobicContact CE2-CG 4.1Å; F244-L248 HydrophobicContact CZ-CD1 3.79Å; F244-L248 HydrophobicContact CZ-CD2 4Å; F244-L248 HydrophobicContact CZ-CG 3.95Å; F244-L248 WeakPolarHBondContact O-CG 3.28Å; F244-L248 PolarHBondContact O-N 2.92Å; K245-L248 PolarHBondContact O-N 3.31Å; L248-S250 VanDerWaalsContact C-N 3.31Å; L248-S250 PolarHBondContact O-N 3.45Å; L248-L251 PolarHBondContact O-N 2.98Å; L248-L252 VanDerWaalsContact O-CB 3.27Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.45Å; L248-L252 PolarHBondContact O-N 3.22Å |
| 249 | T | 93.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.8 | -35 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | Y231 K245 L247 T253 | Y231-T249 WeakPolarHBondContact OH-CA 3.31Å; Y231-T249 PolarHBondContact OH-N 3.32Å; Y231-T249 PolarHBondContact OH-OG1 3.48Å; K245-T249 PolarHBondContact O-N 3.36Å; K245-T249 PolarHBondContact O-OG1 2.84Å; K245-T249 VanDerWaalsContact O-OG1 3.11Å; L247-T249 PolarHBondContact O-N 2.99Å; T249-T253 PolarHBondContact O-N 3.03Å; T249-T253 PolarHBondContact O-OG1 3.18Å |
| 250 | S | 95.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.5 | -29.5 | 178.7 | -49.1 | 0 | 0 | 0 | 0 | 112.9 | S246 L247 L248 I260 | S246-S250 WeakPolarHBondContact O-CB 3.32Å; S246-S250 PolarHBondContact O-N 3.23Å; S246-S250 VanDerWaalsContact O-N 3.08Å; S246-S250 PolarHBondContact O-OG 2.79Å; L247-S250 PolarHBondContact O-N 3.2Å; L248-S250 VanDerWaalsContact C-N 3.31Å; L248-S250 PolarHBondContact O-N 3.45Å; S250-I260 PolarHBondContact O-N 2.03Å |
| 251 | L | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -80.2 | -43.3 | 172.7 | -69.2 | 165.3 | 0 | 0 | 0 | 112.2 | Y195 L198 F202 L247 L248 T253 R259 I260 L265 | Y195-L251 VanDerWaalsContact O-CD2 3.28Å; Y195-L251 WeakPolarHBondContact O-CD2 3.23Å; L198-L251 HydrophobicContact CD2-CD2 4.06Å; F202-L251 HydrophobicContact CD2-CD1 3.72Å; F202-L251 HydrophobicContact CE2-CD1 4.04Å; L247-L251 HydrophobicContact CD1-CD1 3.87Å; L247-L251 HydrophobicContact CD1-CG 4.19Å; L247-L251 HydrophobicContact CG-CD1 3.86Å; L247-L251 WeakPolarHBondContact O-CG 3.28Å; L247-L251 PolarHBondContact O-N 2.89Å; L248-L251 PolarHBondContact O-N 2.98Å; L251-T253 PolarHBondContact O-N 3.16Å; L251-R259 WeakPolarHBondContact O-CD 3.21Å; L251-R259 VanDerWaalsContact O-CG 3.24Å; L251-R259 WeakPolarHBondContact O-CG 3.35Å; L251-I260 HydrophobicContact CD2-CG2 3.5Å; L251-I260 HydrophobicContact CG-CG2 4.03Å; L251-L265 HydrophobicContact CD2-CD1 4.12Å; L251-L265 HydrophobicContact CD2-CD2 4.43Å |
| 252 | L | 95.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -86.7 | 26.1 | -179.4 | -62.6 | 176.9 | 0 | 0 | 0 | 113.3 | W196 Y203 P211 F212 P229 L248 K254 | W196-L252 HydrophobicContact CD2-CD2 4.15Å; W196-L252 HydrophobicContact CE3-CD2 4.22Å; W196-L252 HydrophobicContact CH2-CD2 4.4Å; W196-L252 HydrophobicContact CZ2-CD2 4.35Å; W196-L252 VanDerWaalsContact CZ3-C 3.45Å; W196-L252 HydrophobicContact CZ3-CB 4.27Å; W196-L252 HydrophobicContact CZ3-CD2 4.35Å; W196-L252 VanDerWaalsContact CZ3-O 3.27Å; W196-L252 WeakPolarHBondContact CZ3-O 3.18Å; Y203-L252 HydrophobicContact CD2-CD1 4.42Å; P211-L252 HydrophobicContact CB-CD1 4.21Å; P211-L252 HydrophobicContact CG-CD1 4.13Å; P211-L252 HydrophobicContact CG-CD2 4.48Å; F212-L252 HydrophobicContact CE2-CD2 4.33Å; P229-L252 HydrophobicContact CB-CD1 4.09Å; P229-L252 HydrophobicContact CG-CB 4.49Å; P229-L252 HydrophobicContact CG-CD1 4Å; L248-L252 VanDerWaalsContact O-CB 3.27Å; L248-L252 WeakPolarHBondContact O-CB 3.31Å; L248-L252 WeakPolarHBondContact O-CG 3.45Å; L248-L252 PolarHBondContact O-N 3.22Å; L252-K254 PolarHBondContact O-N 3.24Å |
| 253 | T | 94.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | trans | -74.3 | 121.2 | 171.2 | -72.1 | 0 | 0 | 0 | 0 | 109.5 | T249 L251 S255 K258 R259 | T249-T253 PolarHBondContact O-N 3.03Å; T249-T253 PolarHBondContact O-OG1 3.18Å; L251-T253 PolarHBondContact O-N 3.16Å; T253-S255 PolarHBondContact O-N 3.16Å; T253-K258 HydrophobicContact CG2-CB 3.77Å; T253-R259 PolarHBondContact O-NE 2.87Å; T253-R259 PolarHBondContact O-NH2 3.47Å | ||
| 254 | K | 92 | Very high | 93.1 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 19% | 0.187 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -53.2 | -49.8 | -173.6 | -59.5 | -65.7 | -175.3 | -177.3 | 0 | 113 | P181 W196 I224 R227 E228 L252 S256 R259 | P181-K254 HydrophobicContact CG-CD 4.13Å; W196-K254 HydrophobicContact CH2-CD 3.82Å; W196-K254 HydrophobicContact CZ3-CD 4.07Å; I224-K254 PolarHBondContact O-NZ 3.32Å; R227-K254 WeakPolarHBondContact O-CE 3.15Å; R227-K254 PolarHBondContact O-NZ 2.88Å; E228-K254 VanDerWaalsContact OE1-CE 3.31Å; E228-K254 WeakPolarHBondContact OE1-CE 3.38Å; L252-K254 PolarHBondContact O-N 3.24Å; K254-S256 PolarHBondContact O-N 3.41Å; K254-R259 PolarHBondContact O-NH2 3.37Å |
| 255 | S | 90.7 | Very high | 93.1 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -76.6 | 116.8 | -179.1 | 177.2 | 0 | 0 | 0 | 0 | 111 | T253 S257 K258 R259 | T253-S255 PolarHBondContact O-N 3.16Å; S255-S257 VanDerWaalsContact C-N 3.31Å; S255-S257 PolarHBondContact O-N 2.76Å; S255-S257 PolarHBondContact OG-OG 3.21Å; S255-K258 PolarHBondContact O-N 3.02Å; S255-R259 PolarHBondContact O-N 3.45Å; S255-R259 VanDerWaalsContact O-N 3.16Å |
| 256 | S | 91 | Very high | 93 | Very high | 50 Ų | 50 | 45.2 Ų | 45.2 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -52.3 | -43.6 | -179.3 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | E182 S192 K254 K258 R259 | E182-S256 WeakPolarHBondContact OE1-CB 3.45Å; S192-S256 WeakPolarHBondContact OG-CA 3.2Å; S192-S256 WeakPolarHBondContact OG-CB 3.28Å; S192-S256 PolarHBondContact OG-O 3.12Å; K254-S256 PolarHBondContact O-N 3.41Å; S256-K258 PolarHBondContact O-N 3.42Å; S256-R259 VanDerWaalsContact O-CB 3.3Å; S256-R259 WeakPolarHBondContact O-CB 3.36Å; S256-R259 PolarHBondContact O-N 3.07Å; S256-R259 VanDerWaalsContact O-N 3.16Å |
| 257 | S | 89.1 | Confident | 92.8 | Very high | 108 Ų | 108 | 49.5 Ų | 49.5 | 76% | 0.755 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -71.6 | -8.1 | 178.3 | 59.3 | 0 | 0 | 0 | 0 | 115.3 | S255 | S255-S257 VanDerWaalsContact C-N 3.31Å; S255-S257 PolarHBondContact O-N 2.76Å; S255-S257 PolarHBondContact OG-OG 3.21Å |
| 258 | K | 91.5 | Very high | 92.6 | Very high | 163 Ų | 163 | 51 Ų | 51 | 71% | 0.709 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -109.3 | -4 | 172.4 | -63.1 | -175 | -178.8 | -179.9 | 0 | 113.1 | T253 S255 S256 | T253-K258 HydrophobicContact CG2-CB 3.77Å; S255-K258 PolarHBondContact O-N 3.02Å; S256-K258 PolarHBondContact O-N 3.42Å |
| 259 | R | 94.9 | Very high | 92.4 | Very high | 16 Ų | 16 | 55 Ų | 55 | 6% | 0.06 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -71.7 | 153.9 | 177.5 | -154.1 | 173.3 | -65 | 146.4 | 4.5 | 109.7 | E182 S192 L251 T253 K254 S255 S256 S261 | E182-R259 IonicContact OE1-CZ 2.73Å; E182-R259 IonicContact OE1-NH1 2.77Å; E182-R259 PolarHBondContact OE1-NH1 2.9Å; E182-R259 IonicContact OE1-NH2 3.36Å; E182-R259 PolarHBondContact OE1-NH2 3.22Å; E182-R259 IonicContact OE2-CZ 3.07Å; E182-R259 IonicContact OE2-NH1 2.7Å; E182-R259 PolarHBondContact OE2-NH1 2.84Å; E182-R259 IonicContact OE2-NH2 2.61Å; E182-R259 PolarHBondContact OE2-NH2 3.08Å; S192-R259 VanDerWaalsContact C-NH1 3.25Å; S192-R259 WeakPolarHBondContact O-CD 3.36Å; S192-R259 PolarHBondContact O-NH1 3.49Å; S192-R259 PolarHBondContact OG-NH1 3.03Å; S192-R259 VanDerWaalsContact OG-NH1 3.11Å; L251-R259 WeakPolarHBondContact O-CD 3.21Å; L251-R259 VanDerWaalsContact O-CG 3.24Å; L251-R259 WeakPolarHBondContact O-CG 3.35Å; T253-R259 PolarHBondContact O-NE 2.87Å; T253-R259 PolarHBondContact O-NH2 3.47Å; K254-R259 PolarHBondContact O-NH2 3.37Å; S255-R259 PolarHBondContact O-N 3.45Å; S255-R259 VanDerWaalsContact O-N 3.16Å; S256-R259 VanDerWaalsContact O-CB 3.3Å; S256-R259 WeakPolarHBondContact O-CB 3.36Å; S256-R259 PolarHBondContact O-N 3.07Å; S256-R259 VanDerWaalsContact O-N 3.16Å; R259-S261 PolarHBondContact O-N 2.93Å |
| 260 | I | 94.3 | Very high | 92.2 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 132.7 | -174.9 | -165.5 | 167.2 | 0 | 0 | 0 | 112.4 | Y195 L247 S250 L251 D264 L265 | Y195-I260 WeakPolarHBondContact CD2-O 3.45Å; L247-I260 HydrophobicContact CD1-CD1 4.42Å; S250-I260 PolarHBondContact O-N 2.03Å; L251-I260 HydrophobicContact CD2-CG2 3.5Å; L251-I260 HydrophobicContact CG-CG2 4.03Å; I260-D264 HydrophobicContact CD1-CB 4.36Å; I260-D264 HydrophobicContact CG1-CB 3.84Å; I260-L265 HydrophobicContact CD1-CB 4.17Å; I260-L265 HydrophobicContact CG1-CB 4.2Å; I260-L265 HydrophobicContact CG2-CB 4.34Å |
| 261 | S | 92.6 | Very high | 92 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 159.6 | 175.7 | 90.4 | 0 | 0 | 0 | 0 | 111.2 | R259 N263 D264 L265 | R259-S261 PolarHBondContact O-N 2.93Å; S261-N263 PolarHBondContact O-N 2.85Å; S261-N263 PolarHBondContact OG-N 3.27Å; S261-D264 WeakPolarHBondContact CB-OD2 3.42Å; S261-D264 PolarHBondContact O-N 3.13Å; S261-D264 VanDerWaalsContact O-N 3.15Å; S261-D264 VanDerWaalsContact OG-CG 3.27Å; S261-D264 PolarHBondContact OG-N 3.32Å; S261-D264 PolarHBondContact OG-OD2 3.47Å; S261-L265 VanDerWaalsContact O-CB 3.28Å; S261-L265 WeakPolarHBondContact O-CB 3.34Å; S261-L265 PolarHBondContact O-N 3.09Å |
| 262 | E | 90 | Very high | 91.2 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.3 | -42.4 | 175.9 | -165.2 | -177.4 | 165.8 | 0 | 0 | 112.3 | R110 Y195 D264 L265 I266 | R110-E262 VanDerWaalsContact CB-OE1 3.32Å; R110-E262 WeakPolarHBondContact CB-OE1 3.32Å; R110-E262 VanDerWaalsContact CD-OE1 3.28Å; R110-E262 WeakPolarHBondContact CD-OE1 3.19Å; R110-E262 WeakPolarHBondContact CG-OE1 3.45Å; Y195-E262 HydrophobicContact CE2-CB 4.42Å; Y195-E262 VanDerWaalsContact OH-CB 3.31Å; Y195-E262 WeakPolarHBondContact OH-CB 3.17Å; Y195-E262 WeakPolarHBondContact OH-CG 3.47Å; E262-D264 VanDerWaalsContact C-N 3.33Å; E262-D264 PolarHBondContact O-N 2.72Å; E262-L265 PolarHBondContact O-N 3.16Å; E262-I266 HydrophobicContact CG-CD1 3.99Å; E262-I266 WeakPolarHBondContact O-CD1 3.39Å; E262-I266 VanDerWaalsContact O-CG1 3.29Å; E262-I266 WeakPolarHBondContact O-CG1 3.32Å; E262-I266 PolarHBondContact O-N 2.72Å |
| 263 | N | 90.7 | Very high | 89.9 | Confident | 104 Ų | 104 | 64.9 Ų | 64.9 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64 | -37.7 | -179.7 | -80.3 | -65.5 | 0 | 0 | 0 | 112.4 | S261 K267 | S261-N263 PolarHBondContact O-N 2.85Å; S261-N263 PolarHBondContact OG-N 3.27Å; N263-K267 WeakPolarHBondContact O-CB 3.34Å; N263-K267 VanDerWaalsContact O-CD 3.23Å; N263-K267 WeakPolarHBondContact O-CD 3.5Å; N263-K267 WeakPolarHBondContact O-CE 3.3Å; N263-K267 WeakPolarHBondContact O-CG 3.43Å; N263-K267 PolarHBondContact O-N 3.35Å |
| 264 | D | 92.3 | Very high | 88.8 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -82.7 | -34.8 | -178.5 | -55.4 | -48.5 | 0 | 0 | 0 | 111.1 | I260 S261 E262 I266 K267 H268 | I260-D264 HydrophobicContact CD1-CB 4.36Å; I260-D264 HydrophobicContact CG1-CB 3.84Å; S261-D264 WeakPolarHBondContact CB-OD2 3.42Å; S261-D264 PolarHBondContact O-N 3.13Å; S261-D264 VanDerWaalsContact O-N 3.15Å; S261-D264 VanDerWaalsContact OG-CG 3.27Å; S261-D264 PolarHBondContact OG-N 3.32Å; S261-D264 PolarHBondContact OG-OD2 3.47Å; E262-D264 VanDerWaalsContact C-N 3.33Å; E262-D264 PolarHBondContact O-N 2.72Å; D264-I266 VanDerWaalsContact C-N 3.35Å; D264-I266 PolarHBondContact O-N 3.17Å; D264-K267 CarbonylContact O-C 3.6Å; D264-K267 PolarHBondContact O-N 3.04Å; D264-H268 PolarHBondContact O-N 3.22Å |
| 265 | L | 92.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.4 | -47 | 171.8 | 175.4 | 56.3 | 0 | 0 | 0 | 110.9 | V106 Y195 L198 L247 L251 I260 S261 E262 H268 W271 | V106-L265 HydrophobicContact CG1-CD2 4.42Å; V106-L265 HydrophobicContact CG1-CG 4.42Å; V106-L265 HydrophobicContact CG2-CD2 4.25Å; V106-L265 HydrophobicContact CG2-CG 4.44Å; Y195-L265 HydrophobicContact CD1-CD2 3.91Å; Y195-L265 HydrophobicContact CE1-CD2 4.07Å; Y195-L265 HydrophobicContact CG-CD2 4.49Å; L198-L265 HydrophobicContact CD2-CD2 3.86Å; L247-L265 HydrophobicContact CD1-CD1 3.67Å; L251-L265 HydrophobicContact CD2-CD1 4.12Å; L251-L265 HydrophobicContact CD2-CD2 4.43Å; I260-L265 HydrophobicContact CD1-CB 4.17Å; I260-L265 HydrophobicContact CG1-CB 4.2Å; I260-L265 HydrophobicContact CG2-CB 4.34Å; S261-L265 VanDerWaalsContact O-CB 3.28Å; S261-L265 WeakPolarHBondContact O-CB 3.34Å; S261-L265 PolarHBondContact O-N 3.09Å; E262-L265 PolarHBondContact O-N 3.16Å; L265-H268 WeakPolarHBondContact O-CB 3.48Å; L265-H268 PolarHBondContact O-N 3.44Å; L265-W271 HydrophobicContact CD1-CZ2 4.31Å; L265-W271 VanDerWaalsContact O-CD1 3.24Å; L265-W271 PolarHBondContact O-NE1 3.41Å |
| 266 | I | 91.2 | Very high | 86.3 | Confident | 19 Ų | 19 | 67.4 Ų | 67.4 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 178.6 | -68.4 | 162.8 | 0 | 0 | 0 | 111.8 | V106 E262 D264 H268 I275 | V106-I266 HydrophobicContact CG1-CG1 4.29Å; E262-I266 HydrophobicContact CG-CD1 3.99Å; E262-I266 WeakPolarHBondContact O-CD1 3.39Å; E262-I266 VanDerWaalsContact O-CG1 3.29Å; E262-I266 WeakPolarHBondContact O-CG1 3.32Å; E262-I266 PolarHBondContact O-N 2.72Å; D264-I266 VanDerWaalsContact C-N 3.35Å; D264-I266 PolarHBondContact O-N 3.17Å; I266-H268 VanDerWaalsContact C-N 3.33Å; I266-I275 HydrophobicContact CG1-CG2 4.37Å; I266-I275 HydrophobicContact CG2-CB 4.37Å; I266-I275 HydrophobicContact CG2-CG2 3.89Å |
| 267 | K | 89.4 | Confident | 84.7 | Confident | 140 Ų | 140 | 70.3 Ų | 70.3 | 61% | 0.609 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -79.6 | -12.2 | 179.7 | -68.1 | 168 | -163.7 | 167.1 | 0 | 113.8 | N263 D264 S269 | N263-K267 WeakPolarHBondContact O-CB 3.34Å; N263-K267 VanDerWaalsContact O-CD 3.23Å; N263-K267 WeakPolarHBondContact O-CD 3.5Å; N263-K267 WeakPolarHBondContact O-CE 3.3Å; N263-K267 WeakPolarHBondContact O-CG 3.43Å; N263-K267 PolarHBondContact O-N 3.35Å; D264-K267 CarbonylContact O-C 3.6Å; D264-K267 PolarHBondContact O-N 3.04Å; K267-S269 PolarHBondContact O-N 2.98Å |
| 268 | H | 91.1 | Very high | 82.6 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 15% | 0.153 | 35% | 0.354 | C | S | . | . | trans | -57.4 | 128.3 | -172.7 | -166 | -75.7 | 0 | 0 | 0 | 111.5 | L243 S246 L247 D264 L265 I266 F270 W271 | L243-H268 VanDerWaalsContact CA-CE1 3.48Å; L243-H268 WeakPolarHBondContact CA-CE1 3.4Å; L243-H268 PolarHBondContact O-CE1 2.8Å; S246-H268 VanDerWaalsContact C-NE2 3.3Å; S246-H268 WeakPolarHBondContact CB-NE2 3.49Å; S246-H268 PolarHBondContact OG-NE2 2.84Å; L247-H268 HydrophobicContact CD1-CB 4.35Å; L247-H268 PolarHBondContact N-CE1 3.14Å; L247-H268 PolarHBondContact N-NE2 3.25Å; D264-H268 PolarHBondContact O-N 3.22Å; L265-H268 WeakPolarHBondContact O-CB 3.48Å; L265-H268 PolarHBondContact O-N 3.44Å; I266-H268 VanDerWaalsContact C-N 3.33Å; H268-F270 VanDerWaalsContact ND1-CB 3.33Å; H268-F270 WeakPolarHBondContact ND1-CB 3.31Å; H268-F270 PolarHBondContact ND1-N 3.47Å; H268-F270 PolarHBondContact O-N 3.35Å; H268-W271 VanDerWaalsContact O-CD1 3.22Å; H268-W271 PolarHBondContact O-N 3Å | ||
| 269 | S | 90.7 | Very high | 80.7 | Confident | 84 Ų | 84 | 64 Ų | 64 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -58.9 | -21.7 | -169.1 | -46.8 | 0 | 0 | 0 | 0 | 113.7 | K267 W271 H272 | K267-S269 PolarHBondContact O-N 2.98Å; S269-W271 PolarHBondContact O-N 3.2Å; S269-W271 VanDerWaalsContact O-N 3.14Å; S269-H272 PolarHBondContact O-N 3.35Å |
| 270 | F | 91.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -48.5 | -36.1 | 171.3 | 176.8 | -107.4 | 0 | 0 | 0 | 113.3 | E95 R99 L243 F244 L247 H268 H272 | E95-F270 HydrophobicContact CG-CE2 3.6Å; E95-F270 HydrophobicContact CG-CZ 4.15Å; E95-F270 WeakPolarHBondContact OE1-CE2 3.5Å; R99-F270 HydrophobicContact CB-CE1 3.81Å; R99-F270 HydrophobicContact CB-CE2 4.38Å; R99-F270 HydrophobicContact CB-CZ 3.62Å; R99-F270 WeakPolarHBondContact CD-O 3.4Å; R99-F270 HydrophobicContact CG-CD1 4.17Å; R99-F270 HydrophobicContact CG-CE1 3.74Å; R99-F270 HydrophobicContact CG-CE2 4.5Å; R99-F270 HydrophobicContact CG-CZ 3.93Å; R99-F270 PolarHBondContact NE-O 3.03Å; L243-F270 HydrophobicContact CB-CB 4.4Å; F244-F270 HydrophobicContact CB-CD2 3.87Å; F244-F270 HydrophobicContact CB-CE2 3.65Å; F244-F270 HydrophobicContact CD2-CD2 4.05Å; F244-F270 HydrophobicContact CD2-CE1 4.17Å; F244-F270 AromaticContact CD2-CE2 3.43Å; F244-F270 HydrophobicContact CD2-CE2 3.43Å; F244-F270 VanDerWaalsContact CD2-CE2 3.43Å; F244-F270 AromaticContact CD2-CZ 3.49Å; F244-F270 HydrophobicContact CD2-CZ 3.49Å; F244-F270 VanDerWaalsContact CD2-CZ 3.49Å; F244-F270 HydrophobicContact CE2-CE2 4.41Å; F244-F270 HydrophobicContact CE2-CZ 4.06Å; F244-F270 HydrophobicContact CG-CD2 4.41Å; F244-F270 AromaticContact CG-CE2 3.83Å; F244-F270 HydrophobicContact CG-CE2 3.83Å; F244-F270 HydrophobicContact CG-CZ 4.29Å; L247-F270 HydrophobicContact CD2-CB 4.08Å; L247-F270 HydrophobicContact CD2-CD1 3.32Å; L247-F270 HydrophobicContact CD2-CE1 3.88Å; L247-F270 HydrophobicContact CD2-CG 3.81Å; H268-F270 VanDerWaalsContact ND1-CB 3.33Å; H268-F270 WeakPolarHBondContact ND1-CB 3.31Å; H268-F270 PolarHBondContact ND1-N 3.47Å; H268-F270 PolarHBondContact O-N 3.35Å; F270-H272 VanDerWaalsContact C-N 3.31Å; F270-H272 PolarHBondContact O-N 3.18Å; F270-H272 PolarHBondContact O-ND1 3.2Å |
| 271 | W | 89.5 | Confident | 75.3 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 1% | 0.011 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -73.2 | -15.9 | -174.4 | -58.9 | 119.4 | 0 | 0 | 0 | 115.2 | R99 A103 V106 F202 L247 L265 H268 S269 Q273 R274 I275 | R99-W271 HydrophobicContact CG-CE3 3.99Å; R99-W271 HydrophobicContact CG-CZ3 4.37Å; A103-W271 HydrophobicContact CB-CE3 3.98Å; A103-W271 HydrophobicContact CB-CZ3 4.02Å; A103-W271 VanDerWaalsContact N-CZ3 3.33Å; V106-W271 HydrophobicContact CG2-CH2 4.3Å; V106-W271 HydrophobicContact CG2-CZ2 4.01Å; F202-W271 AromaticContact CE2-CH2 3.61Å; F202-W271 HydrophobicContact CE2-CH2 3.61Å; F202-W271 AromaticContact CE2-CZ2 3.92Å; F202-W271 HydrophobicContact CE2-CZ2 3.92Å; F202-W271 AromaticContact CZ-CH2 3.72Å; F202-W271 HydrophobicContact CZ-CH2 3.72Å; F202-W271 HydrophobicContact CZ-CZ2 4.27Å; L247-W271 HydrophobicContact CD2-CH2 4.29Å; L247-W271 HydrophobicContact CD2-CZ2 3.86Å; L265-W271 HydrophobicContact CD1-CZ2 4.31Å; L265-W271 VanDerWaalsContact O-CD1 3.24Å; L265-W271 PolarHBondContact O-NE1 3.41Å; H268-W271 VanDerWaalsContact O-CD1 3.22Å; H268-W271 PolarHBondContact O-N 3Å; S269-W271 PolarHBondContact O-N 3.2Å; S269-W271 VanDerWaalsContact O-N 3.14Å; W271-Q273 VanDerWaalsContact C-N 3.27Å; W271-Q273 PolarHBondContact O-N 2.85Å; W271-R274 VanDerWaalsContact O-CB 3.25Å; W271-R274 WeakPolarHBondContact O-CB 2.96Å; W271-R274 VanDerWaalsContact O-CG 3.3Å; W271-R274 WeakPolarHBondContact O-CG 3.19Å; W271-R274 PolarHBondContact O-N 3.12Å; W271-I275 HydrophobicContact CB-CG1 4.42Å; W271-I275 HydrophobicContact CD2-CD1 3.58Å; W271-I275 HydrophobicContact CD2-CG1 4.24Å; W271-I275 HydrophobicContact CE3-CD1 4.07Å; W271-I275 HydrophobicContact CG-CD1 3.76Å; W271-I275 HydrophobicContact CG-CG1 4.15Å; W271-I275 HydrophobicContact CZ2-CD1 4.25Å |
| 272 | H | 78.8 | Confident | 72.3 | Confident | 112 Ų | 112 | 77.6 Ų | 77.6 | 52% | 0.519 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 48.9 | -176 | -61.3 | 67.9 | 0 | 0 | 0 | 112 | S269 F270 R274 | S269-H272 PolarHBondContact O-N 3.35Å; F270-H272 VanDerWaalsContact C-N 3.31Å; F270-H272 PolarHBondContact O-N 3.18Å; F270-H272 PolarHBondContact O-ND1 3.2Å; H272-R274 PolarHBondContact O-N 2.94Å; H272-R274 VanDerWaalsContact O-N 3.11Å |
| 273 | Q | 69.3 | Low | 69.5 | Low | 192 Ų | 192 | 79.9 Ų | 79.9 | 90% | 0.897 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 12.5 | -178.2 | -57 | 178.3 | -6.3 | 0 | 0 | 116.3 | W271 I275 | W271-Q273 VanDerWaalsContact C-N 3.27Å; W271-Q273 PolarHBondContact O-N 2.85Å; Q273-I275 VanDerWaalsContact C-N 3.26Å; Q273-I275 PolarHBondContact O-N 3.02Å |
| 274 | R | 71 | Confident | 66.6 | Low | 133 Ų | 133 | 81.6 Ų | 81.6 | 50% | 0.502 | 45% | 0.449 | S | S | . | . | trans | -71.2 | -10.4 | -179.8 | -71.3 | -176.5 | 168.2 | -159.1 | -3.9 | 116 | R107 W271 H272 | R107-R274 PolarHBondContact NH2-O 3.21Å; W271-R274 VanDerWaalsContact O-CB 3.25Å; W271-R274 WeakPolarHBondContact O-CB 2.96Å; W271-R274 VanDerWaalsContact O-CG 3.3Å; W271-R274 WeakPolarHBondContact O-CG 3.19Å; W271-R274 PolarHBondContact O-N 3.12Å; H272-R274 PolarHBondContact O-N 2.94Å; H272-R274 VanDerWaalsContact O-N 3.11Å | ||
| 275 | I | 70.2 | Confident | 63.6 | Low | 11 Ų | 11 | 80.7 Ų | 80.7 | 6% | 0.056 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -113.4 | 118.6 | 173.2 | -51.7 | 178.5 | 0 | 0 | 0 | 106.3 | A103 V106 R107 I266 W271 Q273 | A103-I275 HydrophobicContact CB-CD1 4.17Å; A103-I275 HydrophobicContact CB-CG1 3.84Å; V106-I275 HydrophobicContact CB-CD1 3.98Å; V106-I275 HydrophobicContact CG1-CD1 3.75Å; R107-I275 HydrophobicContact CG-CG2 4.11Å; I266-I275 HydrophobicContact CG1-CG2 4.37Å; I266-I275 HydrophobicContact CG2-CB 4.37Å; I266-I275 HydrophobicContact CG2-CG2 3.89Å; W271-I275 HydrophobicContact CB-CG1 4.42Å; W271-I275 HydrophobicContact CD2-CD1 3.58Å; W271-I275 HydrophobicContact CD2-CG1 4.24Å; W271-I275 HydrophobicContact CE3-CD1 4.07Å; W271-I275 HydrophobicContact CG-CD1 3.76Å; W271-I275 HydrophobicContact CG-CG1 4.15Å; W271-I275 HydrophobicContact CZ2-CD1 4.25Å; Q273-I275 VanDerWaalsContact C-N 3.26Å; Q273-I275 PolarHBondContact O-N 3.02Å |
| 276 | S | 59.8 | Low | 60.6 | Low | 43 Ų | 43 | 87.3 Ų | 87.3 | 30% | 0.301 | 50% | 0.495 | S | S | . | . | trans | -95.5 | 150.2 | 179.7 | 112.8 | 0 | 0 | 0 | 0 | 111.1 | R110 A278 D279 | R110-S276 PolarHBondContact NH1-O 3.01Å; R110-S276 VanDerWaalsContact NH1-O 3.1Å; S276-A278 PolarHBondContact O-N 3.21Å; S276-A278 PolarHBondContact OG-N 3.48Å; S276-D279 WeakPolarHBondContact CB-OD1 3.48Å; S276-D279 PolarHBondContact N-OD2 2.98Å; S276-D279 VanDerWaalsContact OG-CG 3.23Å; S276-D279 PolarHBondContact OG-N 3.14Å; S276-D279 PolarHBondContact OG-OD1 2.61Å | ||
| 277 | V | 57.9 | Low | 57.7 | Low | 112 Ų | 112 | 95.5 Ų | 95.5 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -66.6 | -30 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | R110 D279 | R110-V277 PolarHBondContact NH2-O 3.36Å; V277-D279 PolarHBondContact O-N 3.03Å |
| 278 | A | 46 | Very low | 55 | Low | 69 Ų | 69 | 96.1 Ų | 96.1 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -82.6 | -4.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S276 S280 | S276-A278 PolarHBondContact O-N 3.21Å; S276-A278 PolarHBondContact OG-N 3.48Å; A278-S280 PolarHBondContact O-N 2.86Å |
| 279 | D | 50.5 | Low | 52 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 37% | 0.374 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -62.3 | -10.6 | -172.9 | -68.4 | -10.1 | 0 | 0 | 0 | 114.3 | R107 S276 V277 | R107-D279 VanDerWaalsContact CD-OD2 3.29Å; R107-D279 WeakPolarHBondContact CD-OD2 3.35Å; R107-D279 IonicContact NE-OD2 2.73Å; R107-D279 PolarHBondContact NE-OD2 3.3Å; S276-D279 WeakPolarHBondContact CB-OD1 3.48Å; S276-D279 PolarHBondContact N-OD2 2.98Å; S276-D279 VanDerWaalsContact OG-CG 3.23Å; S276-D279 PolarHBondContact OG-N 3.14Å; S276-D279 PolarHBondContact OG-OD1 2.61Å; V277-D279 PolarHBondContact O-N 3.03Å |
| 280 | S | 40 | Very low | 49.1 | Very low | 77 Ų | 77 | 101.8 Ų | 101.8 | 54% | 0.538 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -99.5 | 12.4 | -171.3 | 59.1 | 0 | 0 | 0 | 0 | 116.8 | R110 A278 | R110-S280 PolarHBondContact NH2-OG 2.88Å; A278-S280 PolarHBondContact O-N 2.86Å |
| 281 | I | 36.1 | Very low | 46.1 | Very low | 131 Ų | 131 | 108.3 Ų | 108.3 | 67% | 0.672 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -113.9 | -31 | -174.4 | -65.2 | 178.9 | 0 | 0 | 0 | 114.3 | S283 | I281-S283 PolarHBondContact O-N 3.12Š|
| 282 | N | 28.8 | Very low | 43.2 | Very low | 157 Ų | 157 | 116.9 Ų | 116.9 | 84% | 0.84 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 79.3 | -167.5 | -73.8 | -37.9 | 0 | 0 | 0 | 114.5 | ||
| 283 | S | 31.2 | Very low | 40.9 | Very low | 101 Ų | 101 | 116.2 Ų | 116.2 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.4 | -8.4 | 162.7 | -166.8 | 0 | 0 | 0 | 0 | 116.1 | I281 G285 | I281-S283 PolarHBondContact O-N 3.12Å; S283-G285 PolarHBondContact O-N 3.09Å; S283-G285 VanDerWaalsContact O-N 3.17Å |
| 284 | V | 30.3 | Very low | 38.9 | Very low | 140 Ų | 140 | 112.3 Ų | 112.3 | 85% | 0.848 | 66% | 0.663 | S | S | * | * | trans | -86.6 | 86.1 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | D286 | V284-D286 PolarHBondContact O-N 2.88Š| ||
| 285 | G | 28.8 | Very low | 37 | Very low | 66 Ų | 66 | 112.5 Ų | 112.5 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | trans | -96.2 | 43.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | S283 K287 | S283-G285 PolarHBondContact O-N 3.09Å; S283-G285 VanDerWaalsContact O-N 3.17Å; G285-K287 PolarHBondContact O-N 3.5Å; G285-K287 VanDerWaalsContact O-N 3.09Å | ||
| 286 | D | 30.4 | Very low | 35.1 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | trans | -72.6 | 101.4 | -176.3 | -141.4 | -22 | 0 | 0 | 0 | 110.8 | V284 | V284-D286 PolarHBondContact O-N 2.88Š| ||
| 287 | K | 31.5 | Very low | 33.7 | Very low | 191 Ų | 191 | 122.8 Ų | 122.8 | 83% | 0.83 | 72% | 0.723 | S | S | * | * | trans | -102.7 | 75 | -173.2 | -77.5 | -169.2 | 175.8 | -176.8 | 0 | 112 | G285 | G285-K287 PolarHBondContact O-N 3.5Å; G285-K287 VanDerWaalsContact O-N 3.09Å | ||
| 288 | N | 31 | Very low | 32.1 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -135.6 | 103.8 | 164.9 | -89.2 | -45.5 | 0 | 0 | 0 | 111.6 | ||||
| 289 | G | 28.9 | Very low | 31.4 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | 71.4 | 103.1 | 161 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 290 | L | 31 | Very low | 30.3 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | 179.6 | 112.7 | 104.9 | -92.4 | 160.7 | 0 | 0 | 0 | 112.6 | |||||
| 291 | N | 27.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 1.7 | 154.1 | 152 | -60.5 | -22 | 0 | 0 | 0 | 122.7 | ||||
| 292 | Q | 29.1 | Very low | 29 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 74 | 107.7 | 161.6 | -67.7 | 162.7 | 11.8 | 0 | 0 | 114.6 | ||||
| 293 | A | 30 | Very low | 28.9 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 99.9 | 142.2 | 71.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 294 | S | 26.9 | Very low | 28.7 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | cis | -164.3 | 176.9 | -10.6 | -172.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 295 | V | 31.4 | Very low | 28.4 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | 70.1 | 149.1 | 166.1 | -178.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 296 | D | 30.4 | Very low | 28.4 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | cis | -167.7 | 166.7 | -39.3 | -161.5 | -6.9 | 0 | 0 | 0 | 108.2 | ||||
| 297 | K | 30.4 | Very low | 28.4 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 32.9 | 119.8 | 163.1 | -72.5 | 138.1 | -162.3 | 157.7 | 0 | 120.2 | ||||
| 298 | K | 24.7 | Very low | 28.3 | Very low | 197 Ų | 197 | 140.3 Ų | 140.3 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | 53 | 112 | 83.5 | -73.8 | -171.5 | 172.4 | -171.8 | 0 | 115.6 | |||||
| 299 | Q | 29.7 | Very low | 28.1 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -156.1 | 134.6 | 141.8 | -105.8 | 179.6 | -19.5 | 0 | 0 | 111 | ||||
| 300 | I | 29 | Very low | 28.1 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | 43.3 | 117.2 | 129.1 | -57.2 | 170.7 | 0 | 0 | 0 | 117.1 | |||||
| 301 | E | 22.7 | Very low | 27.9 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | cis | 79.5 | 139.3 | 46.9 | -74.1 | -163.3 | 144.7 | 0 | 0 | 117.7 | ||||
| 302 | S | 24.5 | Very low | 27.8 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 79.8 | 165.4 | 158.1 | 74.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 303 | E | 26.8 | Very low | 27.9 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | 69.8 | 137.5 | -178.8 | -58.3 | -165.7 | -178.4 | 0 | 0 | 116.6 | ||||
| 304 | C | 27.4 | Very low | 27.7 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | cis | -164 | 176.1 | -5.6 | -104.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 305 | Y | 25 | Very low | 27.7 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | -174.5 | 146.4 | -51.2 | -127 | -61.5 | 0 | 0 | 0 | 107.7 | |||||
| 306 | L | 28.4 | Very low | 27.6 | Very low | 144 Ų | 144 | 140 Ų | 140 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 142.3 | 166.8 | -50.6 | 169.8 | 0 | 0 | 0 | 116.8 | ||||
| 307 | N | 30.8 | Very low | 27.4 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | cis | -131.5 | -164.9 | 3.5 | -120.5 | -59 | 0 | 0 | 0 | 108.9 | ||||
| 308 | G | 28.7 | Very low | 27.1 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | 114.5 | 143.7 | 10.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 309 | K | 27.6 | Very low | 27.3 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 81% | 0.809 | 75% | 0.752 | S | S | * | * | cis | -165.5 | 163.8 | 0.5 | -161.4 | 174.6 | -176.9 | 178.9 | 0 | 110.4 | ||||
| 310 | T | 28.4 | Very low | 27.2 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 71.1 | 140.1 | 178.1 | 72.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 311 | N | 25.9 | Very low | 27.1 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | cis | -151.8 | 146.1 | -9.6 | -102.4 | -6 | 0 | 0 | 0 | 110.3 | ||||
| 312 | S | 26.7 | Very low | 27.2 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 58.8 | 139.1 | 161.2 | -57.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 313 | T | 30.1 | Very low | 27.2 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | cis | -164.7 | 150.1 | -10.1 | 17.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 314 | T | 25.5 | Very low | 27.1 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | cis | -172.2 | 125 | -30.4 | -101.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 315 | I | 26.8 | Very low | 27.3 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 42.3 | 125.2 | 139.8 | -42.2 | 173.6 | 0 | 0 | 0 | 117.8 | ||||
| 316 | T | 29.2 | Very low | 27.3 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | -161.2 | 117.2 | 78.9 | 41.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 317 | S | 26.4 | Very low | 27.3 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | 73 | 115.7 | 80.6 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 318 | F | 25.3 | Very low | 27 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 89% | 0.886 | 76% | 0.759 | S | S | * | * | 66.3 | 152 | 75.2 | -73.2 | -60.6 | 0 | 0 | 0 | 114.3 | |||||
| 319 | P | 28.1 | Very low | 26.8 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -135 | -165.2 | -10.9 | 38.9 | -18.7 | 0 | 0 | 0 | 114.3 | ||||
| 320 | S | 27.3 | Very low | 26.6 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -85.9 | 154.9 | 178 | -43.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 321 | K | 27.8 | Very low | 26.5 | Very low | 193 Ų | 193 | 137 Ų | 137 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -158.9 | 125.1 | 153.2 | -97.7 | 169.1 | -176.4 | 178.5 | 0 | 106.9 | ||||
| 322 | N | 24.1 | Very low | 26.5 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | 70.3 | 101.2 | 76.8 | -74.4 | 19.8 | 0 | 0 | 0 | 114.9 | |||||
| 323 | S | 25.4 | Very low | 26.4 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | -173.9 | 168.2 | 128.4 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 324 | E | 25.1 | Very low | 26.3 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | -36.5 | 153.2 | 172.1 | -67.5 | 85.4 | -165.5 | 0 | 0 | 115.9 | ||||
| 325 | D | 30.2 | Very low | 26.2 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | cis | -150.7 | 160 | 43.5 | -120.3 | -37 | 0 | 0 | 0 | 116.5 | ||||
| 326 | T | 24.9 | Very low | 26.1 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | -128.1 | 128 | 168 | 64 | 0 | 0 | 0 | 0 | 112.4 | K328 | T326-K328 PolarHBondContact O-N 3.39Š| ||
| 327 | P | 28.7 | Very low | 25.9 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | trans | -88.6 | 97.1 | 155.9 | 32 | -28.7 | 0 | 0 | 0 | 110.2 | ||||
| 328 | K | 24 | Very low | 25.8 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -69.3 | 135.9 | 155.4 | -63.7 | 168.6 | -176.3 | 164.6 | 0 | 108 | T326 | T326-K328 PolarHBondContact O-N 3.39Š| ||
| 329 | L | 24.4 | Very low | 25.7 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | trans | 161.2 | 149.4 | 150.2 | -106.5 | 68.6 | 0 | 0 | 0 | 106.5 | ||||
| 330 | S | 25.3 | Very low | 25.8 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | -154.8 | 170.2 | -7.2 | 46.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 331 | H | 25 | Very low | 25.7 | Very low | 162 Ų | 162 | 149 Ų | 149 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | trans | -36 | 134.8 | 170 | -57.1 | -84.4 | 0 | 0 | 0 | 115.3 | ||||
| 332 | Y | 27 | Very low | 25.9 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | -128.9 | 98.3 | 128.7 | -108.8 | -81.3 | 0 | 0 | 0 | 108.8 | E334 | Y332-E334 HydrophobicContact CD1-CG 4.02Å; Y332-E334 HydrophobicContact CE1-CG 4Å | |||
| 333 | N | 22.8 | Very low | 26 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -133.8 | 62.9 | 179.3 | -165 | 13.4 | 0 | 0 | 0 | 108.1 | K335 | N333-K335 PolarHBondContact O-N 2.62Å; N333-K335 VanDerWaalsContact O-N 3.16Å | ||
| 334 | E | 27.9 | Very low | 26.2 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -83.8 | 89 | -177.9 | -74.7 | -169.6 | 150.4 | 0 | 0 | 111.3 | Y332 S336 | Y332-E334 HydrophobicContact CD1-CG 4.02Å; Y332-E334 HydrophobicContact CE1-CG 4Å; E334-S336 PolarHBondContact O-N 2.99Å | ||
| 335 | K | 24.5 | Very low | 26.1 | Very low | 195 Ų | 195 | 149.3 Ų | 149.3 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -68.7 | 98.6 | 151.7 | -75.1 | -176.9 | 175 | -177.9 | 0 | 108.8 | N333 | N333-K335 PolarHBondContact O-N 2.62Å; N333-K335 VanDerWaalsContact O-N 3.16Å | ||
| 336 | S | 24.9 | Very low | 26 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -167.1 | 141.4 | 167.9 | -84.5 | 0 | 0 | 0 | 0 | 111 | E334 | E334-S336 PolarHBondContact O-N 2.99Š| ||
| 337 | M | 24.2 | Very low | 26.2 | Very low | 161 Ų | 161 | 151 Ų | 151 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | cis | -155.6 | 141.8 | -16 | -145.4 | 163.2 | 57.9 | 0 | 0 | 110.1 | ||||
| 338 | T | 24.5 | Very low | 25.9 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | trans | 18.8 | 132.3 | 153 | 58.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 339 | T | 23.4 | Very low | 26.1 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | 57.3 | 121.3 | 139.7 | 57.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 340 | I | 30.5 | Very low | 26.2 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 86% | 0.862 | 77% | 0.774 | S | S | * | * | -148.6 | 156.9 | 107.5 | -100 | 155.3 | 0 | 0 | 0 | 108.7 | |||||
| 341 | E | 24.8 | Very low | 26.4 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -73.9 | 154.6 | -162.6 | -60.8 | 152 | 127.8 | 0 | 0 | 114.4 | ||||
| 342 | G | 31.1 | Very low | 26.4 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -167.7 | 77 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 343 | N | 26.3 | Very low | 26.6 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -65.4 | 132.1 | -179.2 | -75.8 | -53.5 | 0 | 0 | 0 | 111.7 | ||||
| 344 | E | 29.7 | Very low | 26.6 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | -154.4 | 161.7 | 119.4 | -113.5 | 164.5 | -153.9 | 0 | 0 | 110.6 | |||||
| 345 | K | 24.5 | Very low | 26.6 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -121 | 166.4 | -163.3 | -109.6 | -172.1 | 175.4 | 179.5 | 0 | 111.7 | ||||
| 346 | P | 27.8 | Very low | 26.8 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -74.4 | 152.6 | -168.2 | 32 | -36.9 | 0 | 0 | 0 | 112.7 | ||||
| 347 | Q | 28.3 | Very low | 26.9 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -139.6 | 129.1 | 163.1 | -100.5 | 167.9 | 5.8 | 0 | 0 | 110.5 | ||||
| 348 | S | 23.1 | Very low | 27.3 | Very low | 89 Ų | 89 | 136.3 Ų | 136.3 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 161.5 | 156.3 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 349 | F | 28.7 | Very low | 27.3 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -127.1 | 93.4 | 160.7 | -116.9 | -82.2 | 0 | 0 | 0 | 109.3 | ||||
| 350 | D | 25.6 | Very low | 27.6 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 144.4 | 164.1 | -63.4 | -79.9 | 0 | 0 | 0 | 110.2 | ||||
| 351 | S | 30.2 | Very low | 27.3 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -148.3 | 75.8 | 155.5 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 352 | A | 25.4 | Very low | 27.3 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | -69 | 141.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 353 | I | 30.1 | Very low | 27.1 | Very low | 170 Ų | 170 | 135 Ų | 135 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -124 | 127.4 | 150.2 | -63.3 | -178.4 | 0 | 0 | 0 | 105.9 | ||||
| 354 | S | 24.3 | Very low | 27.1 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | trans | -102.7 | -178.7 | -176.1 | 61.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 355 | N | 27.7 | Very low | 27.3 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | 79.1 | 151.3 | 173.6 | -38.2 | -13.6 | 0 | 0 | 0 | 112.6 | ||||
| 356 | S | 28.9 | Very low | 27.4 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | cis | 178.8 | 145.2 | -12.9 | 47.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 357 | D | 26.8 | Very low | 27.2 | Very low | 155 Ų | 155 | 123.6 Ų | 123.6 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | cis | -162.2 | -171.8 | -3.4 | -138.8 | -80.5 | 0 | 0 | 0 | 111.1 | ||||
| 358 | A | 31.6 | Very low | 27.1 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | trans | 70.5 | 132.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 359 | S | 25 | Very low | 27.3 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | 105.7 | 154.9 | 16.3 | 84.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 360 | L | 28.6 | Very low | 27 | Very low | 155 Ų | 155 | 121.5 Ų | 121.5 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | 76.2 | 124.2 | -175.2 | -51.1 | 166.9 | 0 | 0 | 0 | 113.8 | ||||
| 361 | S | 24.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | 73.6 | 137.8 | 41.5 | 86.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 362 | S | 24.2 | Very low | 27 | Very low | 95 Ų | 95 | 122.7 Ų | 122.7 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | cis | -176 | -174.1 | -0.9 | 43.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 363 | M | 28.1 | Very low | 27 | Very low | 181 Ų | 181 | 125.2 Ų | 125.2 | 89% | 0.892 | 75% | 0.747 | S | S | * | * | trans | 72.2 | 158.8 | 168.5 | -56.2 | 168.9 | 64.4 | 0 | 0 | 115.5 | ||||
| 364 | A | 25.5 | Very low | 26.9 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | cis | -166.5 | 161.5 | -27.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 365 | P | 33.8 | Very low | 26.8 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -96.3 | 155.4 | -175.3 | 37.4 | -35.6 | 0 | 0 | 0 | 115.3 | ||||
| 366 | V | 27.5 | Very low | 26.8 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -175.2 | 117.7 | 162.5 | 134.1 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 367 | S | 24.2 | Very low | 26.6 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | 93.7 | 142.3 | 54.5 | 83.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 368 | D | 25.4 | Very low | 26.6 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 70.8 | 146.3 | 166.7 | -44.2 | -56.1 | 0 | 0 | 0 | 116.6 | ||||
| 369 | S | 27 | Very low | 26.4 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -151.4 | 154.3 | 3.3 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 370 | E | 23.7 | Very low | 26.3 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 17.4 | 134.3 | 146.6 | -51.3 | -174.6 | 150.6 | 0 | 0 | 122 | ||||
| 371 | H | 31 | Very low | 26.3 | Very low | 175 Ų | 175 | 130 Ų | 130 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | -166.7 | 86.7 | 113.9 | -94.5 | -41.5 | 0 | 0 | 0 | 115.2 | |||||
| 372 | T | 23.8 | Very low | 26.4 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | 28.7 | 126.5 | 124.6 | 51.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 373 | V | 24.6 | Very low | 26.7 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 90% | 0.903 | 76% | 0.759 | S | S | * | * | trans | 81.2 | 130.8 | 132.5 | 175 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 374 | G | 28.3 | Very low | 26.6 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | -177.5 | 36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 375 | V | 22.9 | Very low | 26.9 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -81.8 | 127.2 | -175.8 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 376 | V | 27.1 | Very low | 26.7 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | trans | -140.9 | 108 | 155.2 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 377 | T | 23.9 | Very low | 26.6 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -103 | 148.8 | 157.6 | 41.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 378 | I | 26.9 | Very low | 27 | Very low | 169 Ų | 169 | 134 Ų | 134 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | trans | -173.9 | 154.3 | 144.1 | -102 | 151.8 | 0 | 0 | 0 | 111.2 | ||||
| 379 | P | 27.3 | Very low | 27.4 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | trans | -136.2 | -176.2 | -150.1 | 44.8 | -27.8 | 0 | 0 | 0 | 117.2 | ||||
| 380 | K | 23.2 | Very low | 27.6 | Very low | 183 Ų | 183 | 136 Ų | 136 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 52.1 | 116.9 | 149.7 | -74.4 | 175.4 | 178.9 | -176.9 | 0 | 120.9 | ||||
| 381 | H | 30.1 | Very low | 27.8 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | -141.4 | 131.5 | 125.5 | -96.3 | -93.1 | 0 | 0 | 0 | 105.8 | |||||
| 382 | N | 25.4 | Very low | 27.5 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | cis | 87.6 | 142.8 | 30.8 | -141 | 81 | 0 | 0 | 0 | 113.6 | ||||
| 383 | D | 30.6 | Very low | 27.7 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 61% | 0.61 | 73% | 0.731 | S | S | * | * | trans | 77.2 | 146.3 | 171.3 | -54.3 | -54 | 0 | 0 | 0 | 119.3 | ||||
| 384 | T | 26.8 | Very low | 27.6 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | cis | -173.3 | 167.7 | -49.5 | 25.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 385 | H | 31.8 | Very low | 27.7 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | trans | 69.2 | 152.3 | 172.2 | -49.3 | -77.2 | 0 | 0 | 0 | 117 | ||||
| 386 | G | 30.4 | Very low | 27.6 | Very low | 65 Ų | 65 | 138.7 Ų | 138.7 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | cis | 179.7 | 154.3 | -8.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 387 | N | 25.5 | Very low | 27.6 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | trans | 4.3 | 134.3 | 162.1 | -50.2 | -15 | 0 | 0 | 0 | 120.2 | ||||
| 388 | H | 32.5 | Very low | 27.7 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 69% | 0.69 | 72% | 0.723 | S | S | * | * | 173.5 | 130 | 100.1 | -89.5 | -59.7 | 0 | 0 | 0 | 110.8 | |||||
| 389 | H | 32.6 | Very low | 27.6 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 73% | 0.731 | 71% | 0.714 | S | S | * | * | 64.4 | 149.7 | 109 | -72.7 | -24.5 | 0 | 0 | 0 | 117.9 | |||||
| 390 | H | 30.6 | Very low | 27.6 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 65% | 0.648 | 72% | 0.716 | S | S | * | * | cis | 179.5 | 127.5 | -19.5 | -172.3 | -115 | 0 | 0 | 0 | 108.3 | ||||
| 391 | L | 28.1 | Very low | 27.8 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | trans | 59.7 | 171.9 | 159.1 | -95.9 | 64.8 | 0 | 0 | 0 | 117.3 | ||||
| 392 | D | 26.3 | Very low | 27.7 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | cis | -152.7 | 171 | -37.1 | -142.7 | -13.6 | 0 | 0 | 0 | 111.3 | ||||
| 393 | Q | 26.6 | Very low | 27.9 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | trans | 49.1 | 124.8 | 146.7 | -75.4 | 169.4 | 66.3 | 0 | 0 | 122.6 | ||||
| 394 | Q | 23.9 | Very low | 27.6 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | 56 | 116.5 | 134.8 | -57.2 | -179.2 | 19.5 | 0 | 0 | 120.6 | ||||
| 395 | H | 28.8 | Very low | 27.6 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | -155.9 | 151.8 | 115.5 | -119.4 | -79.1 | 0 | 0 | 0 | 112.6 | |||||
| 396 | T | 22.1 | Very low | 27.4 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | -82.5 | 149.1 | 170.2 | 42.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 397 | I | 27.2 | Very low | 27.3 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | trans | -179.4 | 165.2 | 140.9 | -95.2 | 154.1 | 0 | 0 | 0 | 109.7 | ||||
| 398 | T | 24.6 | Very low | 27.2 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -99 | -174.1 | -166.1 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 399 | T | 25.3 | Very low | 27 | Very low | 110 Ų | 110 | 136 Ų | 136 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | trans | 86.6 | 134.3 | 145.6 | 25 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 400 | D | 27.8 | Very low | 26.8 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | 66.9 | 116.3 | 146.7 | -59.3 | -26 | 0 | 0 | 0 | 120.7 | ||||
| 401 | T | 26.8 | Very low | 26.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | 81.2 | 99.6 | 56.6 | 67.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 402 | I | 28.8 | Very low | 26.5 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -166.7 | 131.4 | 157.8 | -88.2 | 136.9 | 0 | 0 | 0 | 102.4 | ||||
| 403 | V | 28.7 | Very low | 26.5 | Very low | 133 Ų | 133 | 133 Ų | 133 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | cis | -123.7 | 143.1 | 35.1 | 177 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 404 | T | 25.1 | Very low | 26.4 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -113.4 | 169.1 | 173.7 | -47.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 405 | T | 26.4 | Very low | 26.6 | Very low | 126 Ų | 126 | 129 Ų | 129 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 82 | 130.6 | 163.8 | -8.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 406 | I | 27.7 | Very low | 26.4 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | -155.9 | 142.3 | 57.6 | -83.6 | 177.4 | 0 | 0 | 0 | 112.8 | |||||
| 407 | I | 28 | Very low | 26.7 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | 59.9 | 102.4 | 161.5 | -64.7 | 162 | 0 | 0 | 0 | 119.4 | ||||
| 408 | T | 24.4 | Very low | 26.5 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -82 | 147.1 | 139.4 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 409 | T | 27.4 | Very low | 26.7 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | trans | 158.3 | 156.1 | 130.2 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 410 | T | 29.1 | Very low | 26.7 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 53.1 | 109.6 | 160.4 | 51.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 411 | T | 24.7 | Very low | 26.6 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | 67.7 | 148 | 66.3 | 69.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 412 | T | 26.6 | Very low | 26.6 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | 76.3 | 117.2 | 162.2 | 38.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 413 | T | 26.3 | Very low | 26.4 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | 69.4 | 106.9 | 136.9 | 55.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 414 | A | 25.5 | Very low | 26.3 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | 90.9 | 147.3 | 112 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 415 | T | 26.9 | Very low | 26.3 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | trans | 58 | 101.3 | 153.2 | 44.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 416 | T | 24.2 | Very low | 26.2 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | 38.1 | 106.8 | 111.6 | -40.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 417 | T | 28.7 | Very low | 26.3 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | -164.7 | 157.1 | 116.6 | 19.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 418 | T | 23.5 | Very low | 26.2 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -78.2 | 148.5 | 168.9 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 419 | I | 29 | Very low | 26.6 | Very low | 162 Ų | 162 | 123 Ų | 123 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | -164.2 | 138.9 | 127 | -100.1 | 149.9 | 0 | 0 | 0 | 112.4 | |||||
| 420 | T | 24.6 | Very low | 26.6 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | -55.9 | 169.1 | 175.3 | 25 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 421 | T | 25.5 | Very low | 26.7 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 69.2 | 147.1 | 152.5 | 47.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 422 | T | 27 | Very low | 27.1 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | cis | -153 | 165.8 | 0.3 | -5.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 423 | T | 24.6 | Very low | 27.4 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -34 | 170.8 | 166.2 | 51 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 424 | T | 26.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 124 Ų | 124 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 81.4 | 145 | 159.6 | 69.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 425 | T | 25 | Very low | 28 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | cis | -166.2 | 154.2 | -11.7 | 18.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 426 | M | 25 | Very low | 28.2 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | trans | 70.2 | 159.4 | 141.6 | -72.5 | -77.2 | 106.9 | 0 | 0 | 122.4 | ||||
| 427 | T | 28.9 | Very low | 28.5 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | 77.8 | 146.3 | 163.3 | 70.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 428 | N | 27.2 | Very low | 28.4 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | cis | -162.7 | 178 | -40 | -149.6 | -2.1 | 0 | 0 | 0 | 110.1 | ||||
| 429 | S | 31.3 | Very low | 28.6 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 80.2 | 153.3 | 164.4 | 79.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 430 | N | 27.7 | Very low | 28.4 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | cis | -176.2 | 168.7 | -47.5 | -107.7 | 12 | 0 | 0 | 0 | 109.2 | ||||
| 431 | S | 31.7 | Very low | 28.6 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 80.7 | 139.9 | 171.9 | 78.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 432 | D | 32.7 | Very low | 28.5 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | cis | 167.4 | 169.8 | -8.2 | -96.9 | -9.7 | 0 | 0 | 0 | 104.9 | ||||
| 433 | N | 32.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | cis | -168.8 | 157.3 | -21.9 | -106.5 | -36.8 | 0 | 0 | 0 | 106.2 | ||||
| 434 | N | 32.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | cis | -164 | 129.5 | -17.7 | -163.4 | -68.1 | 0 | 0 | 0 | 108.6 | N436 | N434-N436 PolarHBondContact OD1-ND2 3.5Š| ||
| 435 | S | 33.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -151.9 | 73.8 | 167.1 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 436 | N | 30.2 | Very low | 28.8 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -80.4 | 149.1 | 174 | -70.9 | -86.2 | 0 | 0 | 0 | 112.8 | N434 | N434-N436 PolarHBondContact OD1-ND2 3.5Š| ||
| 437 | K | 31.5 | Very low | 29.1 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | 165 | 109.2 | 124.6 | -92.3 | 166.7 | -179.6 | 178 | 0 | 113.6 | |||||
| 438 | L | 27.4 | Very low | 29.2 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | 178.6 | 116.2 | 106.3 | -101.2 | 159.6 | 0 | 0 | 0 | 111.1 | |||||
| 439 | N | 26.1 | Very low | 29.3 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -99.8 | 163.7 | 165 | -98.1 | -39.3 | 0 | 0 | 0 | 109.6 | ||||
| 440 | S | 26 | Very low | 29.2 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 56.9 | 92.2 | 158.3 | 62 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 441 | L | 27.4 | Very low | 29.2 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | -138.1 | 115.9 | 129.8 | -91.4 | 112.4 | 0 | 0 | 0 | 106.7 | |||||
| 442 | C | 24.2 | Very low | 29 | Very low | 101 Ų | 101 | 140 Ų | 140 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | 80.8 | 102.2 | 70.5 | -73 | 0 | 0 | 0 | 0 | 113.6 | K444 | C442-K444 PolarHBondContact O-N 3.13Š| |||
| 443 | Q | 26.5 | Very low | 28.7 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | 9.3 | 100.9 | 146.6 | -60.4 | 163 | -66.2 | 0 | 0 | 117.3 | ||||
| 444 | K | 26.5 | Very low | 28.5 | Very low | 200 Ų | 200 | 143 Ų | 143 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | 178.6 | 165.8 | 135.1 | -98.1 | 152 | -172.5 | 178.9 | 0 | 111 | C442 | C442-K444 PolarHBondContact O-N 3.13Š| ||
| 445 | L | 29 | Very low | 28.2 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | 73.3 | 110.6 | -174.7 | -50 | 171.4 | 0 | 0 | 0 | 114 | ||||
| 446 | N | 27.7 | Very low | 27.9 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | cis | 61.1 | 133.3 | 2.1 | -79.9 | 56.3 | 0 | 0 | 0 | 115.9 | ||||
| 447 | D | 30.9 | Very low | 27.5 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 55% | 0.551 | 80% | 0.795 | S | S | * | * | cis | -149.2 | 177.1 | 6.6 | -99.6 | -48.9 | 0 | 0 | 0 | 111.1 | ||||
| 448 | H | 32.4 | Very low | 27.2 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 75.2 | 143.1 | 174.7 | -49.8 | -80.5 | 0 | 0 | 0 | 115.8 | ||||
| 449 | V | 28.9 | Very low | 27.1 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | cis | -101.3 | 147.9 | 7.2 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 450 | I | 29 | Very low | 27 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -102 | 146.2 | -171.6 | -70.1 | 173.1 | 0 | 0 | 0 | 112.1 | ||
| 451 | A | 26.4 | Very low | 26.8 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 167.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 452 | S | 29.1 | Very low | 26.7 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -137.6 | 104.6 | 151.2 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 453 | N | 25.2 | Very low | 26.7 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -74.9 | 154.7 | 151.9 | -79.5 | -42.1 | 0 | 0 | 0 | 107.8 | ||||
| 454 | D | 29 | Very low | 26.6 | Very low | 167 Ų | 167 | 138 Ų | 138 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | -156.8 | 164.8 | 125.6 | -124 | -31.9 | 0 | 0 | 0 | 114.2 | |||||
| 455 | Q | 25.2 | Very low | 26.6 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -118.1 | 120.1 | -172.7 | -63.6 | 178.6 | -25.5 | 0 | 0 | 113.1 | ||||
| 456 | S | 26.6 | Very low | 26.4 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -156.8 | 135.7 | 149.3 | 44.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 457 | V | 23.3 | Very low | 26.4 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | cis | 92 | 138.7 | 33.3 | 174 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 458 | I | 25.3 | Very low | 26.1 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | trans | 90.1 | 88.5 | 178.2 | -65.3 | 146.2 | 0 | 0 | 0 | 117.2 | ||||
| 459 | N | 23.9 | Very low | 25.8 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | 64.4 | 129.2 | 114.9 | -57.1 | -12.3 | 0 | 0 | 0 | 123.6 | |||||
| 460 | N | 23.7 | Very low | 25.6 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 77.5 | 113 | 125.2 | -68 | -2.9 | 0 | 0 | 0 | 122.1 | |||||
| 461 | S | 23.6 | Very low | 25.3 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | 98.3 | 117.1 | 111.3 | 73.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 462 | N | 23.8 | Very low | 25.4 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | 80 | 144.1 | 127.2 | -62.8 | -3.3 | 0 | 0 | 0 | 121.3 | |||||
| 463 | N | 24.8 | Very low | 25.1 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | 75 | 117.6 | 162.6 | -55.7 | -24.1 | 0 | 0 | 0 | 116.1 | ||||
| 464 | L | 23.7 | Very low | 25.2 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 65% | 0.654 | 77% | 0.766 | S | S | * | * | cis | 78.8 | 95.7 | 48.3 | -173.9 | 102 | 0 | 0 | 0 | 111.9 | ||||
| 465 | D | 27 | Very low | 24.9 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | -164.4 | 127.7 | 106.1 | -108 | -35.8 | 0 | 0 | 0 | 115 | |||||
| 466 | K | 24.5 | Very low | 25 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | 7.7 | 128.5 | 128 | -51.2 | 179.2 | -156.6 | 90.2 | 0 | 117.8 | |||||
| 467 | F | 27.1 | Very low | 24.9 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 90% | 0.899 | 75% | 0.745 | S | S | * | * | -142.4 | 129.6 | 124 | -109.8 | -77.3 | 0 | 0 | 0 | 111.5 | |||||
| 468 | K | 24.7 | Very low | 25.1 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -119.9 | 129.2 | 174.6 | -86 | 178.5 | 175.7 | 167.4 | 0 | 109.4 | ||||
| 469 | M | 26.5 | Very low | 25.1 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | trans | -122.7 | 105.1 | 160.2 | -82.1 | -95.7 | -178.7 | 0 | 0 | 110.1 | ||||
| 470 | K | 24.6 | Very low | 25.1 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | 40.4 | 109.4 | 124.9 | -62.9 | 174.6 | 177.9 | 175.9 | 0 | 116.8 | |||||
| 471 | K | 24 | Very low | 25.2 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | 57.3 | 113.9 | 79.1 | -77.6 | -167.9 | 169.7 | -173.4 | 0 | 114.4 | |||||
| 472 | N | 27.3 | Very low | 25.2 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | -150.5 | 162.8 | 109 | -100.3 | -16.8 | 0 | 0 | 0 | 110.7 | |||||
| 473 | S | 23.7 | Very low | 25.2 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | -153.1 | 138.7 | -165.8 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 474 | F | 26 | Very low | 25.1 | Very low | 198 Ų | 198 | 149.1 Ų | 149.1 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | -172.7 | 126.8 | 146.6 | -92.6 | -72.6 | 0 | 0 | 0 | 105.7 | ||||
| 475 | S | 24.5 | Very low | 25.2 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | 62.1 | 132.5 | 66.3 | 141.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 476 | S | 25.5 | Very low | 25.1 | Very low | 94 Ų | 94 | 154 Ų | 154 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | cis | -157.3 | 172.5 | 2 | -78.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 477 | N | 26 | Very low | 25.1 | Very low | 146 Ų | 146 | 153.7 Ų | 153.7 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | 9.6 | 151 | 149 | -52.9 | 3.4 | 0 | 0 | 0 | 119.5 | ||||
| 478 | D | 26.2 | Very low | 25 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | cis | -168.8 | 164.5 | 44.6 | -149 | 1.1 | 0 | 0 | 0 | 114.8 | ||||
| 479 | R | 25.9 | Very low | 25 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | 69.9 | 116.1 | 151.5 | -75.4 | 166.9 | -150.6 | -126.7 | -4.7 | 124.7 | ||||
| 480 | M | 24.1 | Very low | 24.9 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | 111.2 | 113.6 | 108.4 | -83.2 | 171.7 | 61.4 | 0 | 0 | 122.8 | |||||
| 481 | V | 24.8 | Very low | 25 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | 103.8 | 130.6 | 128.3 | 170.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 482 | Q | 24.2 | Very low | 25.1 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 82.2 | 129.4 | 159.6 | -88.8 | 158.4 | -1.3 | 0 | 0 | 122.2 | ||||
| 483 | S | 23.8 | Very low | 25.3 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | 57.4 | 140.1 | 161.5 | 38.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 484 | E | 23.8 | Very low | 25.6 | Very low | 182 Ų | 182 | 132 Ų | 132 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | cis | -153.7 | -179.3 | -8 | -126.9 | 173 | -170.1 | 0 | 0 | 110.9 | H486 | E484-H486 PolarHBondContact O-N 2.87Š| ||
| 485 | Y | 25.1 | Very low | 25.8 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 67% | 0.667 | 68% | 0.679 | S | S | * | * | trans | -66.4 | 117.5 | -169.9 | -67.6 | -102.6 | 0 | 0 | 0 | 114.7 | ||||
| 486 | H | 25.4 | Very low | 26.1 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | trans | -168.1 | 167.9 | 146.5 | -90.1 | -56.7 | 0 | 0 | 0 | 110.4 | E484 | E484-H486 PolarHBondContact O-N 2.87Š| ||
| 487 | T | 24.7 | Very low | 26.3 | Very low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 67% | 0.669 | S | S | * | * | trans | 69.2 | 145.4 | -175.4 | 72.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 488 | S | 23.6 | Very low | 26.6 | Very low | 97 Ų | 97 | 124.1 Ų | 124.1 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | cis | -158.9 | 126.5 | -9.3 | 34.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 489 | T | 25.1 | Very low | 26.9 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | trans | -148.8 | 39.9 | 166.9 | 41.1 | 0 | 0 | 0 | 0 | 111.5 | N491 | T489-N491 PolarHBondContact O-N 3.17Š| ||
| 490 | S | 25.4 | Very low | 27.1 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 57% | 0.573 | 62% | 0.615 | S | S | * | * | trans | -94.3 | 86.2 | -176.4 | 53.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 491 | N | 25.6 | Very low | 27.5 | Very low | 150 Ų | 150 | 112.9 Ų | 112.9 | 80% | 0.802 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -167.7 | 34.2 | 160.2 | -103.5 | -21.1 | 0 | 0 | 0 | 115 | T489 | T489-N491 PolarHBondContact O-N 3.17Š|
| 492 | L | 26.8 | Very low | 27.8 | Very low | 113 Ų | 113 | 112.3 Ų | 112.3 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -156 | -34.9 | 167.1 | -149.7 | 64.9 | 0 | 0 | 0 | 114.1 | Q494 T495 | L492-Q494 PolarHBondContact O-N 2.89Å; L492-T495 PolarHBondContact O-N 3.03Å; L492-T495 PolarHBondContact O-OG1 2.9Å |
| 493 | S | 31.6 | Very low | 28.2 | Very low | 73 Ų | 73 | 108.8 Ų | 108.8 | 51% | 0.51 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60 | -39.6 | -174.8 | 47.4 | 0 | 0 | 0 | 0 | 114.9 | T495 Q496 E497 | S493-T495 PolarHBondContact O-N 2.97Å; S493-Q496 PolarHBondContact O-N 3.4Å; S493-E497 PolarHBondContact O-N 3.11Å |
| 494 | Q | 30 | Very low | 28.5 | Very low | 102 Ų | 102 | 106.3 Ų | 106.3 | 48% | 0.477 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -53.6 | -39.1 | -179.6 | -76.5 | 168.1 | -67.4 | 0 | 0 | 112.2 | L492 Q496 E497 E498 | L492-Q494 PolarHBondContact O-N 2.89Å; Q494-Q496 PolarHBondContact O-N 3.34Å; Q494-E497 PolarHBondContact O-N 3.14Å; Q494-E497 VanDerWaalsContact O-N 3.1Å; Q494-E498 PolarHBondContact O-N 2.86Å |
| 495 | T | 29 | Very low | 28.8 | Very low | 64 Ų | 64 | 102.7 Ų | 102.7 | 39% | 0.393 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -31.2 | -179.6 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | L492 S493 I499 | L492-T495 PolarHBondContact O-N 3.03Å; L492-T495 PolarHBondContact O-OG1 2.9Å; S493-T495 PolarHBondContact O-N 2.97Å; T495-I499 WeakPolarHBondContact O-CB 3.41Å; T495-I499 WeakPolarHBondContact O-CD1 3.31Å; T495-I499 WeakPolarHBondContact O-CG1 3.47Å; T495-I499 PolarHBondContact O-N 2.83Å |
| 496 | Q | 30.6 | Very low | 28.9 | Very low | 133 Ų | 133 | 97.2 Ų | 97.2 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -76.3 | -28.3 | 172.7 | -77.5 | -171 | -20.6 | 0 | 0 | 112.1 | S493 Q494 S500 | S493-Q496 PolarHBondContact O-N 3.4Å; Q494-Q496 PolarHBondContact O-N 3.34Å; Q496-S500 WeakPolarHBondContact O-CB 3.45Å; Q496-S500 PolarHBondContact O-N 3.19Å; Q496-S500 PolarHBondContact O-OG 3.12Å |
| 497 | E | 31 | Very low | 29 | Very low | 103 Ų | 103 | 90.5 Ų | 90.5 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -81.9 | -36.9 | 179.1 | -156.5 | 176.9 | -116.8 | 0 | 0 | 112.6 | S493 Q494 S500 K501 | S493-E497 PolarHBondContact O-N 3.11Å; Q494-E497 PolarHBondContact O-N 3.14Å; Q494-E497 VanDerWaalsContact O-N 3.1Å; E497-S500 PolarHBondContact O-N 2.93Å; E497-K501 WeakPolarHBondContact O-CB 3.45Å; E497-K501 WeakPolarHBondContact O-CG 3.19Å; E497-K501 PolarHBondContact O-N 2.9Å; E497-K501 IonicContact OE2-NZ 2.63Å; E497-K501 PolarHBondContact OE2-NZ 3.44Å |
| 498 | E | 31.2 | Very low | 29.1 | Very low | 65 Ų | 65 | 90.6 Ų | 90.6 | 30% | 0.304 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.9 | -49.6 | 165.3 | -76.7 | -174 | 104.5 | 0 | 0 | 110.9 | K12 Q494 S500 K501 N502 | K12-E498 VanDerWaalsContact NZ-CD 3.26Å; K12-E498 IonicContact NZ-OE1 2.78Å; K12-E498 PolarHBondContact NZ-OE1 2.99Å; K12-E498 IonicContact NZ-OE2 3.2Å; K12-E498 PolarHBondContact NZ-OE2 3.13Å; K12-E498 VanDerWaalsContact NZ-OE2 3.15Å; Q494-E498 PolarHBondContact O-N 2.86Å; E498-S500 VanDerWaalsContact C-N 3.28Å; E498-S500 PolarHBondContact O-N 3.3Å; E498-K501 PolarHBondContact O-N 2.86Å; E498-N502 VanDerWaalsContact O-CB 3.31Å; E498-N502 WeakPolarHBondContact O-CB 3.31Å; E498-N502 VanDerWaalsContact O-CG 3.26Å; E498-N502 PolarHBondContact O-N 3.35Å; E498-N502 PolarHBondContact O-ND2 3.46Å |
| 499 | I | 34 | Very low | 29.2 | Very low | 67 Ų | 67 | 91.3 Ų | 91.3 | 34% | 0.344 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 177.2 | -70.9 | 169.5 | 0 | 0 | 0 | 111 | T495 I503 L610 | T495-I499 WeakPolarHBondContact O-CB 3.41Å; T495-I499 WeakPolarHBondContact O-CD1 3.31Å; T495-I499 WeakPolarHBondContact O-CG1 3.47Å; T495-I499 PolarHBondContact O-N 2.83Å; I499-I503 HydrophobicContact CG2-CD1 3.63Å; I499-I503 HydrophobicContact CG2-CG1 4.32Å; I499-I503 WeakPolarHBondContact O-CB 3.39Å; I499-I503 VanDerWaalsContact O-CG1 3.25Å; I499-I503 WeakPolarHBondContact O-CG1 3.35Å; I499-I503 PolarHBondContact O-N 2.91Å; I499-L610 HydrophobicContact CD1-CD1 4.41Å |
| 500 | S | 30.4 | Very low | 29.1 | Very low | 48 Ų | 48 | 88.7 Ų | 88.7 | 34% | 0.336 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | Q496 E497 E498 F504 | Q496-S500 WeakPolarHBondContact O-CB 3.45Å; Q496-S500 PolarHBondContact O-N 3.19Å; Q496-S500 PolarHBondContact O-OG 3.12Å; E497-S500 PolarHBondContact O-N 2.93Å; E498-S500 VanDerWaalsContact C-N 3.28Å; E498-S500 PolarHBondContact O-N 3.3Å; S500-F504 WeakPolarHBondContact O-CB 3.37Å; S500-F504 PolarHBondContact O-N 2.83Å |
| 501 | K | 32.1 | Very low | 29.2 | Very low | 112 Ų | 112 | 90.1 Ų | 90.1 | 49% | 0.487 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 177.3 | -72.3 | 164.3 | -178.9 | 162.1 | 0 | 111.4 | E497 E498 F504 N505 | E497-K501 WeakPolarHBondContact O-CB 3.45Å; E497-K501 WeakPolarHBondContact O-CG 3.19Å; E497-K501 PolarHBondContact O-N 2.9Å; E497-K501 IonicContact OE2-NZ 2.63Å; E497-K501 PolarHBondContact OE2-NZ 3.44Å; E498-K501 PolarHBondContact O-N 2.86Å; K501-F504 PolarHBondContact O-N 3.01Å; K501-N505 WeakPolarHBondContact O-CB 3.27Å; K501-N505 PolarHBondContact O-N 2.82Å |
| 502 | N | 30.9 | Very low | 29.1 | Very low | 97 Ų | 97 | 90.6 Ų | 90.6 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.6 | -36 | -178.5 | -69.9 | -17.5 | 0 | 0 | 0 | 113 | E498 F504 | E498-N502 VanDerWaalsContact O-CB 3.31Å; E498-N502 WeakPolarHBondContact O-CB 3.31Å; E498-N502 VanDerWaalsContact O-CG 3.26Å; E498-N502 PolarHBondContact O-N 3.35Å; E498-N502 PolarHBondContact O-ND2 3.46Å; N502-F504 VanDerWaalsContact C-N 3.34Å |
| 503 | I | 32.3 | Very low | 29 | Very low | 94 Ų | 94 | 91.1 Ų | 91.1 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 172.7 | -72.8 | 171.7 | 0 | 0 | 0 | 111.1 | I499 L506 T507 | I499-I503 HydrophobicContact CG2-CD1 3.63Å; I499-I503 HydrophobicContact CG2-CG1 4.32Å; I499-I503 WeakPolarHBondContact O-CB 3.39Å; I499-I503 VanDerWaalsContact O-CG1 3.25Å; I499-I503 WeakPolarHBondContact O-CG1 3.35Å; I499-I503 PolarHBondContact O-N 2.91Å; I503-L506 WeakPolarHBondContact O-CB 3.18Å; I503-L506 PolarHBondContact O-N 3.1Å; I503-T507 PolarHBondContact O-OG1 3.33Å |
| 504 | F | 30.6 | Very low | 28.9 | Very low | 47 Ų | 47 | 94.9 Ų | 94.9 | 21% | 0.206 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -81.6 | -29.8 | -175.4 | -145 | -70.6 | 0 | 0 | 0 | 113.6 | S500 K501 N502 L506 T507 E557 I600 | S500-F504 WeakPolarHBondContact O-CB 3.37Å; S500-F504 PolarHBondContact O-N 2.83Å; K501-F504 PolarHBondContact O-N 3.01Å; N502-F504 VanDerWaalsContact C-N 3.34Å; F504-L506 PolarHBondContact O-N 3.15Å; F504-L506 VanDerWaalsContact O-N 3.17Å; F504-T507 PolarHBondContact O-N 3.28Å; F504-T507 PolarHBondContact O-OG1 3Å; F504-E557 WeakPolarHBondContact CA-OE1 3.19Å; F504-E557 HydrophobicContact CB-CG 3.57Å; F504-E557 WeakPolarHBondContact CB-OE1 3.4Å; F504-E557 HydrophobicContact CD1-CB 3.22Å; F504-E557 HydrophobicContact CD1-CG 2.31Å; F504-E557 WeakPolarHBondContact CD1-OE1 3.47Å; F504-E557 WeakPolarHBondContact CD1-OE2 3.43Å; F504-E557 HydrophobicContact CD2-CB 3.87Å; F504-E557 HydrophobicContact CD2-CG 2.3Å; F504-E557 WeakPolarHBondContact CD2-OE1 3.34Å; F504-E557 HydrophobicContact CE1-CB 2.67Å; F504-E557 HydrophobicContact CE1-CG 2.31Å; F504-E557 WeakPolarHBondContact CE1-OE2 3.47Å; F504-E557 HydrophobicContact CE2-CB 3.44Å; F504-E557 VanDerWaalsContact CE2-CB 3.44Å; F504-E557 HydrophobicContact CE2-CG 2.32Å; F504-E557 WeakPolarHBondContact CE2-OE1 3.5Å; F504-E557 WeakPolarHBondContact CE2-OE2 3.43Å; F504-E557 HydrophobicContact CG-CB 3.78Å; F504-E557 HydrophobicContact CG-CG 2.31Å; F504-E557 WeakPolarHBondContact CG-OE1 3.46Å; F504-E557 WeakPolarHBondContact CG-OE2 3.37Å; F504-E557 HydrophobicContact CZ-CB 2.8Å; F504-E557 HydrophobicContact CZ-CG 2.3Å; F504-E557 WeakPolarHBondContact CZ-OE1 3.14Å; F504-E557 WeakPolarHBondContact CZ-OE2 3.08Å; F504-I600 HydrophobicContact CE2-CG2 4.19Å; F504-I600 HydrophobicContact CZ-CD1 4.2Å; F504-I600 HydrophobicContact CZ-CG1 4.29Å |
| 505 | N | 29 | Very low | 28.6 | Very low | 107 Ų | 107 | 96.7 Ų | 96.7 | 57% | 0.572 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -19.8 | 168.1 | -80.1 | -18.5 | 0 | 0 | 0 | 112.5 | K501 | K501-N505 WeakPolarHBondContact O-CB 3.27Å; K501-N505 PolarHBondContact O-N 2.82Å |
| 506 | L | 27.9 | Very low | 28.7 | Very low | 54 Ų | 54 | 101.7 Ų | 101.7 | 28% | 0.283 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.4 | 177.9 | -109 | 63.2 | 0 | 0 | 0 | 113.8 | I503 F504 R508 L707 | I503-L506 WeakPolarHBondContact O-CB 3.18Å; I503-L506 PolarHBondContact O-N 3.1Å; F504-L506 PolarHBondContact O-N 3.15Å; F504-L506 VanDerWaalsContact O-N 3.17Å; L506-R508 PolarHBondContact O-N 3.37Å; L506-L707 HydrophobicContact CB-CB 3.96Å; L506-L707 HydrophobicContact CD2-CB 4.27Å; L506-L707 HydrophobicContact CD2-CD1 3.93Å; L506-L707 HydrophobicContact CG-CB 4.06Å; L506-L707 VanDerWaalsContact O-CB 3.24Å; L506-L707 WeakPolarHBondContact O-CB 3.32Å |
| 507 | T | 27 | Very low | 28.5 | Very low | 41 Ų | 41 | 103.1 Ų | 103.1 | 25% | 0.252 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -84.2 | -2.5 | -176.1 | -23.1 | 0 | 0 | 0 | 0 | 114.3 | I503 F504 E557 | I503-T507 PolarHBondContact O-OG1 3.33Å; F504-T507 PolarHBondContact O-N 3.28Å; F504-T507 PolarHBondContact O-OG1 3Å; T507-E557 WeakPolarHBondContact CB-OE1 3.24Å; T507-E557 WeakPolarHBondContact CB-OE2 3.16Å; T507-E557 PolarHBondContact OG1-OE1 3.17Å; T507-E557 PolarHBondContact OG1-OE2 2.95Å |
| 508 | R | 27 | Very low | 28.3 | Very low | 142 Ų | 142 | 107.7 Ų | 107.7 | 54% | 0.536 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -98.9 | 10 | -158.7 | -146.4 | 176.1 | -175.9 | 179.5 | -0.7 | 116.3 | L506 | L506-R508 PolarHBondContact O-N 3.37Š|
| 509 | H | 25.5 | Very low | 28 | Very low | 111 Ų | 111 | 111.3 Ų | 111.3 | 51% | 0.514 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -134.7 | 12.5 | -164.7 | -102.4 | -100.3 | 0 | 0 | 0 | 116.4 | R91 S708 | R91-H509 PolarHBondContact NH2-CE1 2.88Å; R91-H509 PolarHBondContact NH2-NE2 3.17Å; H509-S708 VanDerWaalsContact CB-CB 3.48Å |
| 510 | T | 23.5 | Very low | 27.5 | Very low | 58 Ų | 58 | 118.7 Ų | 118.7 | 36% | 0.356 | 60% | 0.595 | S | S | . | * | trans | -127.7 | 85 | -170.1 | 46.8 | 0 | 0 | 0 | 0 | 114 | L707 I710 | T510-L707 VanDerWaalsContact CG2-O 3.23Å; T510-L707 WeakPolarHBondContact CG2-O 3.33Å; T510-I710 HydrophobicContact CG2-CB 4.46Å; T510-I710 HydrophobicContact CG2-CD1 3.76Å; T510-I710 HydrophobicContact CG2-CG1 3.71Å | ||
| 511 | S | 26.4 | Very low | 27.1 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 78% | 0.783 | 62% | 0.618 | S | S | * | * | trans | -145.4 | 118.1 | 160.5 | 56.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 512 | F | 25.1 | Very low | 26.7 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 70% | 0.697 | 63% | 0.631 | S | S | * | * | trans | -66.8 | 137.6 | -176.1 | -84.5 | -110.1 | 0 | 0 | 0 | 111.5 | I710 | F512-I710 HydrophobicContact CE2-CB 4.15Å; F512-I710 HydrophobicContact CE2-CG2 4.03Å; F512-I710 WeakPolarHBondContact CZ-O 3.15Å | ||
| 513 | V | 24.3 | Very low | 26.3 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 76% | 0.758 | 64% | 0.64 | S | S | * | * | trans | -96.4 | 120.1 | 152.6 | 176.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 514 | N | 28.1 | Very low | 25.9 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | trans | -142.8 | 134.5 | 153.4 | -109.6 | -12 | 0 | 0 | 0 | 107 | ||||
| 515 | N | 25.3 | Very low | 25.5 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | trans | -81 | 149.3 | -177 | -53.3 | -46.1 | 0 | 0 | 0 | 110 | ||||
| 516 | D | 30.4 | Very low | 25.3 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 91% | 0.909 | 68% | 0.678 | S | S | * | * | trans | -153.3 | 140.2 | 135.3 | -116.4 | -27.2 | 0 | 0 | 0 | 110.1 | ||||
| 517 | E | 25.8 | Very low | 25.1 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -88.9 | 145.4 | -168.6 | -55.8 | 178.6 | 131.9 | 0 | 0 | 113 | ||||
| 518 | K | 28.2 | Very low | 25 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | trans | -161.5 | 122.8 | 138.7 | -103.6 | 128.1 | -155.8 | 149.1 | 0 | 112.9 | ||||
| 519 | N | 23.2 | Very low | 24.7 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -73.8 | 139.7 | 176 | -68.9 | -52.5 | 0 | 0 | 0 | 112.2 | ||||
| 520 | Y | 25.4 | Very low | 24.8 | Very low | 222 Ų | 222 | 144 Ų | 144 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | trans | -137.1 | 106.2 | 149.9 | -92.3 | -78.8 | 0 | 0 | 0 | 109.2 | ||||
| 521 | T | 21 | Very low | 25.1 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -84.5 | 123.1 | 176.1 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 522 | I | 24.6 | Very low | 25.5 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -131.7 | 130.4 | 166.5 | -60.6 | -177.3 | 0 | 0 | 0 | 108.1 | ||||
| 523 | N | 20.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -89.1 | 145.2 | -176.5 | -168.7 | 23.3 | 0 | 0 | 0 | 111.6 | D525 | N523-D525 PolarHBondContact ND2-OD2 3.09Š| ||
| 524 | L | 25.5 | Very low | 28 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 60% | 0.602 | 73% | 0.725 | S | S | * | * | trans | -160.7 | 68.6 | -176.5 | -113.6 | 149.7 | 0 | 0 | 0 | 113.8 | S526 V527 | L524-S526 WeakPolarHBondContact CD2-OG 3.5Å; L524-S526 PolarHBondContact O-N 3.02Å; L524-V527 HydrophobicContact CD2-CG2 4.39Å | ||
| 525 | D | 21.7 | Very low | 29.6 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | -67.9 | 50.8 | 168.2 | -65.6 | -59.5 | 0 | 0 | 0 | 113 | N523 | N523-D525 PolarHBondContact ND2-OD2 3.09Š| ||
| 526 | S | 23.6 | Very low | 31.1 | Very low | 93 Ų | 93 | 126 Ų | 126 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | trans | -162.5 | 57.4 | 179.4 | 71.9 | 0 | 0 | 0 | 0 | 114.9 | L524 | L524-S526 WeakPolarHBondContact CD2-OG 3.5Å; L524-S526 PolarHBondContact O-N 3.02Å | ||
| 527 | V | 24.9 | Very low | 32.3 | Very low | 122 Ų | 122 | 120.1 Ų | 120.1 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | trans | -135.4 | 115.8 | 168.9 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | L524 | L524-V527 HydrophobicContact CD2-CG2 4.39Š| ||
| 528 | E | 24 | Very low | 34 | Very low | 187 Ų | 187 | 113.8 Ų | 113.8 | 87% | 0.874 | 61% | 0.606 | S | S | * | * | trans | -68.9 | 130.4 | 177 | -60.2 | 175.5 | 127.8 | 0 | 0 | 111.3 | S530 | E528-S530 PolarHBondContact O-N 3.43Š| ||
| 529 | M | 21.7 | Very low | 35.6 | Very low | 186 Ų | 186 | 104.3 Ų | 104.3 | 92% | 0.916 | 56% | 0.564 | S | S | * | * | trans | -74.4 | 83.8 | 174.5 | -72.2 | -168.6 | 73 | 0 | 0 | 111.5 | T531 | M529-T531 PolarHBondContact O-N 2.63Š| ||
| 530 | S | 27.2 | Very low | 37.4 | Very low | 117 Ų | 117 | 99.7 Ų | 99.7 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | trans | -67.1 | 117.3 | 176.5 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | E528 | E528-S530 PolarHBondContact O-N 3.43Š| ||
| 531 | T | 29.1 | Very low | 39 | Very low | 97 Ų | 97 | 89.2 Ų | 89.2 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | trans | -77.2 | 167.2 | -178.4 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | M529 | M529-T531 PolarHBondContact O-N 2.63Š| ||
| 532 | C | 34.7 | Very low | 40.9 | Very low | 80 Ų | 80 | 82.9 Ų | 82.9 | 54% | 0.541 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 66.4 | 104.7 | 174.3 | -161.7 | 0 | 0 | 0 | 0 | 117.4 | S534 R538 | C532-S534 PolarHBondContact O-N 2.86Å; C532-R538 PolarHBondContact SG-NH2 2.96Å; C532-R538 VanDerWaalsContact SG-NH2 3.41Å |
| 533 | K | 49 | Very low | 42.7 | Very low | 47 Ų | 47 | 76.8 Ų | 76.8 | 20% | 0.204 | 43% | 0.429 | C | S | . | . | trans | -52 | 125.2 | 164 | -79.3 | 169.3 | -164.9 | 170.2 | 0 | 110.8 | L537 L567 N570 | K533-L537 HydrophobicContact CB-CD2 4.29Å; K533-L537 HydrophobicContact CD-CD2 4.24Å; K533-L537 HydrophobicContact CG-CD2 4.26Å; K533-L567 VanDerWaalsContact CD-O 3.29Å; K533-L567 WeakPolarHBondContact CD-O 3.33Å; K533-L567 PolarHBondContact NZ-O 3.1Å; K533-N570 WeakPolarHBondContact CD-OD1 3.38Å; K533-N570 WeakPolarHBondContact CE-OD1 3.49Å; K533-N570 WeakPolarHBondContact CG-OD1 3.32Å | ||
| 534 | S | 54.8 | Low | 44.5 | Very low | 68 Ų | 68 | 73 Ų | 73 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | trans | -55.7 | 145.8 | -169.5 | 76.8 | 0 | 0 | 0 | 0 | 113.4 | C532 H536 L537 | C532-S534 PolarHBondContact O-N 2.86Å; S534-H536 PolarHBondContact O-N 3.19Å; S534-H536 VanDerWaalsContact O-N 3.11Å; S534-L537 WeakPolarHBondContact O-CB 3.39Å; S534-L537 PolarHBondContact O-N 3.17Å; S534-L537 PolarHBondContact OG-N 3.29Å | ||
| 535 | L | 60.5 | Low | 46.1 | Very low | 35 Ų | 35 | 68.1 Ų | 68.1 | 18% | 0.183 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -51.6 | -36.6 | 176.1 | 178.3 | 66 | 0 | 0 | 0 | 112.2 | L537 R538 A539 I1211 | L535-L537 PolarHBondContact O-N 3.28Å; L535-R538 PolarHBondContact O-N 3.46Å; L535-A539 PolarHBondContact O-N 2.89Å; L535-I1211 HydrophobicContact CD1-CD1 3.98Å; L535-I1211 HydrophobicContact CD1-CG1 3.49Å; L535-I1211 VanDerWaalsContact CD1-CG1 3.49Å; L535-I1211 HydrophobicContact CD2-CD1 4.29Å; L535-I1211 HydrophobicContact CD2-CG1 3.8Å; L535-I1211 HydrophobicContact CG-CG1 4.25Å |
| 536 | H | 58 | Low | 47.6 | Very low | 40 Ų | 40 | 61.5 Ų | 61.5 | 19% | 0.185 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | 178.6 | -175 | 64.4 | 0 | 0 | 0 | 112.9 | S534 R538 A539 N540 F1063 | S534-H536 PolarHBondContact O-N 3.19Å; S534-H536 VanDerWaalsContact O-N 3.11Å; H536-R538 VanDerWaalsContact C-N 3.34Å; H536-R538 PolarHBondContact O-N 3.35Å; H536-A539 PolarHBondContact O-N 2.91Å; H536-N540 PolarHBondContact CD2-ND2 3.43Å; H536-N540 PolarHBondContact CE1-ND2 3.39Å; H536-N540 PolarHBondContact CE1-OD1 2.91Å; H536-N540 PolarHBondContact NE2-ND2 3.35Å; H536-N540 WeakPolarHBondContact O-CB 3.44Å; H536-N540 PolarHBondContact O-N 2.82Å; H536-N540 PolarHBondContact O-ND2 2.7Å; H536-N540 PolarHBondContact O-OD1 2.77Å; H536-F1063 PolarHBondContact CE1-O 2.94Å |
| 537 | L | 54.7 | Low | 49.1 | Very low | 47 Ų | 47 | 57.5 Ų | 57.5 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 175.6 | -178.7 | 63.1 | 0 | 0 | 0 | 111.2 | K533 S534 L535 N540 L541 | K533-L537 HydrophobicContact CB-CD2 4.29Å; K533-L537 HydrophobicContact CD-CD2 4.24Å; K533-L537 HydrophobicContact CG-CD2 4.26Å; S534-L537 WeakPolarHBondContact O-CB 3.39Å; S534-L537 PolarHBondContact O-N 3.17Å; S534-L537 PolarHBondContact OG-N 3.29Å; L535-L537 PolarHBondContact O-N 3.28Å; L537-N540 PolarHBondContact O-N 2.88Å; L537-L541 HydrophobicContact CG-CD1 4.12Å; L537-L541 WeakPolarHBondContact O-CB 3.38Å; L537-L541 VanDerWaalsContact O-CG 3.3Å; L537-L541 WeakPolarHBondContact O-CG 3.48Å; L537-L541 PolarHBondContact O-N 2.99Å |
| 538 | R | 60.6 | Low | 50.2 | Low | 29 Ų | 29 | 51.9 Ų | 51.9 | 11% | 0.109 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.5 | -36.2 | 179.4 | -59.4 | -165.5 | -121.2 | 167 | 5.8 | 112.3 | C532 L535 H536 A542 F568 D1210 | C532-R538 PolarHBondContact SG-NH2 2.96Å; C532-R538 VanDerWaalsContact SG-NH2 3.41Å; L535-R538 PolarHBondContact O-N 3.46Å; H536-R538 VanDerWaalsContact C-N 3.34Å; H536-R538 PolarHBondContact O-N 3.35Å; R538-A542 WeakPolarHBondContact O-CB 3.38Å; R538-A542 PolarHBondContact O-N 2.89Å; R538-F568 HydrophobicContact CB-CD1 4.04Å; R538-F568 HydrophobicContact CB-CE1 3.95Å; R538-F568 HydrophobicContact CG-CD1 3.98Å; R538-F568 HydrophobicContact CG-CE1 4.38Å; R538-F568 WeakPolarHBondContact O-CE1 3.41Å; R538-D1210 IonicContact CZ-OD2 3.42Å; R538-D1210 IonicContact NH1-OD2 2.7Å; R538-D1210 PolarHBondContact NH1-OD2 3.41Å; R538-D1210 IonicContact NH2-OD2 2.66Å |
| 539 | A | 62.8 | Low | 51.2 | Low | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L535 H536 A542 L543 F1063 | L535-A539 PolarHBondContact O-N 2.89Å; H536-A539 PolarHBondContact O-N 2.91Å; A539-A542 PolarHBondContact O-N 2.89Å; A539-L543 VanDerWaalsContact O-CG 3.32Å; A539-L543 WeakPolarHBondContact O-CG 3.36Å; A539-L543 PolarHBondContact O-N 3.16Å; A539-F1063 HydrophobicContact CB-CD1 3.8Å; A539-F1063 HydrophobicContact CB-CD2 3.98Å; A539-F1063 HydrophobicContact CB-CE1 3.65Å; A539-F1063 HydrophobicContact CB-CE2 3.83Å; A539-F1063 HydrophobicContact CB-CG 3.98Å; A539-F1063 HydrophobicContact CB-CZ 3.67Å |
| 540 | N | 60.4 | Low | 52.4 | Low | 45 Ų | 45 | 41.3 Ų | 41.3 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 178.3 | -68.3 | -10 | 0 | 0 | 0 | 111.4 | H536 L537 A542 L543 I544 | H536-N540 PolarHBondContact CD2-ND2 3.43Å; H536-N540 PolarHBondContact CE1-ND2 3.39Å; H536-N540 PolarHBondContact CE1-OD1 2.91Å; H536-N540 PolarHBondContact NE2-ND2 3.35Å; H536-N540 WeakPolarHBondContact O-CB 3.44Å; H536-N540 PolarHBondContact O-N 2.82Å; H536-N540 PolarHBondContact O-ND2 2.7Å; H536-N540 PolarHBondContact O-OD1 2.77Å; L537-N540 PolarHBondContact O-N 2.88Å; N540-A542 VanDerWaalsContact C-N 3.32Å; N540-A542 PolarHBondContact O-N 3.3Å; N540-L543 CarbonylContact O-C 3.52Å; N540-L543 WeakPolarHBondContact O-CA 3.43Å; N540-L543 WeakPolarHBondContact O-CB 3.43Å; N540-L543 PolarHBondContact O-N 3.07Å; N540-I544 WeakPolarHBondContact O-CG1 3.48Å; N540-I544 PolarHBondContact O-N 3.49Å; N540-I544 VanDerWaalsContact O-N 3.17Å |
| 541 | L | 59.5 | Low | 53.5 | Low | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -41.6 | 173.5 | -75.7 | 163.3 | 0 | 0 | 0 | 112 | L537 L543 I544 Y545 L564 F568 L593 | L537-L541 HydrophobicContact CG-CD1 4.12Å; L537-L541 WeakPolarHBondContact O-CB 3.38Å; L537-L541 VanDerWaalsContact O-CG 3.3Å; L537-L541 WeakPolarHBondContact O-CG 3.48Å; L537-L541 PolarHBondContact O-N 2.99Å; L541-L543 VanDerWaalsContact C-N 3.28Å; L541-L543 PolarHBondContact O-N 3.43Å; L541-I544 HydrophobicContact CD2-CD1 4.25Å; L541-I544 WeakPolarHBondContact O-CB 3.45Å; L541-I544 PolarHBondContact O-N 3.43Å; L541-Y545 WeakPolarHBondContact O-CD2 3.3Å; L541-L564 HydrophobicContact CD2-CD2 3.76Å; L541-F568 HydrophobicContact CB-CE1 3.72Å; L541-F568 HydrophobicContact CB-CE2 3.67Å; L541-F568 HydrophobicContact CB-CZ 3.21Å; L541-F568 HydrophobicContact CD1-CD1 4.17Å; L541-F568 HydrophobicContact CD1-CD2 4.24Å; L541-F568 HydrophobicContact CD1-CE1 4.14Å; L541-F568 HydrophobicContact CD1-CE2 4.21Å; L541-F568 HydrophobicContact CD1-CG 4.22Å; L541-F568 HydrophobicContact CD1-CZ 4.17Å; L541-F568 HydrophobicContact CG-CE2 4.4Å; L541-F568 HydrophobicContact CG-CZ 4.27Å; L541-L593 HydrophobicContact CD2-CD1 3.64Å; L541-L593 HydrophobicContact CD2-CD2 4.07Å; L541-L593 HydrophobicContact CD2-CG 4.49Å; L541-L593 HydrophobicContact CG-CD1 4.45Å |
| 542 | A | 61.3 | Low | 54.2 | Low | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -31.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R538 A539 N540 I544 L1131 Y1200 | R538-A542 WeakPolarHBondContact O-CB 3.38Å; R538-A542 PolarHBondContact O-N 2.89Å; A539-A542 PolarHBondContact O-N 2.89Å; N540-A542 VanDerWaalsContact C-N 3.32Å; N540-A542 PolarHBondContact O-N 3.3Å; A542-I544 VanDerWaalsContact C-N 3.32Å; A542-I544 PolarHBondContact O-N 3.3Å; A542-L1131 HydrophobicContact CB-CD1 3.71Å; A542-L1131 HydrophobicContact CB-CD2 4.17Å; A542-Y1200 WeakPolarHBondContact O-CE2 3.37Å; A542-Y1200 PolarHBondContact O-OH 3.48Å |
| 543 | L | 62.9 | Low | 54.6 | Low | 21 Ų | 21 | 32.1 Ų | 32.1 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -78.8 | -7.7 | 176.3 | -70 | 166.4 | 0 | 0 | 0 | 114.4 | A539 N540 L541 Y545 R1009 L1059 I1060 F1063 L1131 | A539-L543 VanDerWaalsContact O-CG 3.32Å; A539-L543 WeakPolarHBondContact O-CG 3.36Å; A539-L543 PolarHBondContact O-N 3.16Å; N540-L543 CarbonylContact O-C 3.52Å; N540-L543 WeakPolarHBondContact O-CA 3.43Å; N540-L543 WeakPolarHBondContact O-CB 3.43Å; N540-L543 PolarHBondContact O-N 3.07Å; L541-L543 VanDerWaalsContact C-N 3.28Å; L541-L543 PolarHBondContact O-N 3.43Å; L543-Y545 PolarHBondContact O-N 3.43Å; L543-R1009 PolarHBondContact O-NH1 3.13Å; L543-L1059 HydrophobicContact CD1-CB 4.19Å; L543-L1059 HydrophobicContact CD2-CB 3.92Å; L543-L1059 HydrophobicContact CD2-CD1 3.86Å; L543-I1060 HydrophobicContact CD1-CG1 4.1Å; L543-I1060 HydrophobicContact CD2-CG1 4.45Å; L543-F1063 HydrophobicContact CD1-CD2 4.03Å; L543-L1131 HydrophobicContact CD2-CD2 4.31Å |
| 544 | I | 58.6 | Low | 54.6 | Low | 52 Ų | 52 | 30.5 Ų | 30.5 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.6 | 177.2 | -74.3 | 173.4 | 0 | 0 | 0 | 112.6 | N540 L541 A542 P546 L593 R1009 | N540-I544 WeakPolarHBondContact O-CG1 3.48Å; N540-I544 PolarHBondContact O-N 3.49Å; N540-I544 VanDerWaalsContact O-N 3.17Å; L541-I544 HydrophobicContact CD2-CD1 4.25Å; L541-I544 WeakPolarHBondContact O-CB 3.45Å; L541-I544 PolarHBondContact O-N 3.43Å; A542-I544 VanDerWaalsContact C-N 3.32Å; A542-I544 PolarHBondContact O-N 3.3Å; I544-P546 WeakPolarHBondContact O-CD 3.42Å; I544-L593 HydrophobicContact CD1-CD1 3.88Å; I544-R1009 PolarHBondContact O-NH1 2.92Å |
| 545 | Y | 58.7 | Low | 54.2 | Low | 12 Ų | 12 | 27.7 Ų | 27.7 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | trans | -108.5 | 62 | -170 | -62.5 | -86.7 | 0 | 0 | 0 | 115.4 | L541 L543 F554 L564 Y1200 | L541-Y545 WeakPolarHBondContact O-CD2 3.3Å; L543-Y545 PolarHBondContact O-N 3.43Å; Y545-F554 HydrophobicContact CD1-CB 4.42Å; Y545-F554 HydrophobicContact CD1-CD1 4.13Å; Y545-F554 AromaticContact CD1-CD2 3.4Å; Y545-F554 HydrophobicContact CD1-CD2 3.4Å; Y545-F554 HydrophobicContact CD1-CE1 4.07Å; Y545-F554 AromaticContact CD1-CE2 3.38Å; Y545-F554 HydrophobicContact CD1-CE2 3.38Å; Y545-F554 AromaticContact CD1-CG 3.77Å; Y545-F554 HydrophobicContact CD1-CG 3.77Å; Y545-F554 AromaticContact CD1-CZ 3.71Å; Y545-F554 HydrophobicContact CD1-CZ 3.71Å; Y545-F554 AromaticContact CE1-CD1 3.64Å; Y545-F554 HydrophobicContact CE1-CD1 3.64Å; Y545-F554 AromaticContact CE1-CD2 3.77Å; Y545-F554 HydrophobicContact CE1-CD2 3.77Å; Y545-F554 AromaticContact CE1-CE1 3.39Å; Y545-F554 HydrophobicContact CE1-CE1 3.39Å; Y545-F554 AromaticContact CE1-CE2 3.58Å; Y545-F554 HydrophobicContact CE1-CE2 3.58Å; Y545-F554 AromaticContact CE1-CG 3.77Å; Y545-F554 HydrophobicContact CE1-CG 3.77Å; Y545-F554 AromaticContact CE1-CZ 3.36Å; Y545-F554 HydrophobicContact CE1-CZ 3.36Å; Y545-F554 HydrophobicContact CG-CD2 4.43Å; Y545-F554 HydrophobicContact CG-CE2 4.19Å; Y545-L564 VanDerWaalsContact OH-CD1 3.27Å; Y545-L564 WeakPolarHBondContact OH-CD1 3.45Å; Y545-Y1200 AromaticContact CD2-CD2 3.58Å; Y545-Y1200 HydrophobicContact CD2-CD2 3.58Å; Y545-Y1200 AromaticContact CD2-CE2 3.74Å; Y545-Y1200 HydrophobicContact CD2-CE2 3.74Å; Y545-Y1200 HydrophobicContact CE2-CD2 4.14Å; Y545-Y1200 AromaticContact CG-CD2 3.86Å; Y545-Y1200 HydrophobicContact CG-CD2 3.86Å; Y545-Y1200 HydrophobicContact CG-CE2 4.01Å | ||
| 546 | P | 53.5 | Low | 53.8 | Low | 11 Ų | 11 | 31.5 Ų | 31.5 | 7% | 0.071 | 16% | 0.159 | C | C | . | . | trans | -78.2 | -47.8 | -173.8 | 31.6 | -35.5 | 0 | 0 | 0 | 112.8 | I544 R1009 S1052 K1128 | I544-P546 WeakPolarHBondContact O-CD 3.42Å; P546-R1009 VanDerWaalsContact CD-NH1 3.28Å; P546-S1052 WeakPolarHBondContact O-CB 3.42Å; P546-S1052 PolarHBondContact O-OG 2.75Å; P546-K1128 PolarHBondContact O-NZ 3.37Å | ||
| 547 | W | 54.3 | Low | 53.5 | Low | 10 Ų | 10 | 30.7 Ų | 30.7 | 4% | 0.038 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -75.4 | 158.2 | -178.2 | 4.6 | 61.5 | 0 | 0 | 0 | 111.1 | S551 S553 V937 H941 S1002 G1006 | W547-S551 VanDerWaalsContact CB-CB 3.44Å; W547-S551 PolarHBondContact O-OG 2.79Å; W547-S553 VanDerWaalsContact CD1-OG 3.26Å; W547-S553 PolarHBondContact NE1-OG 3.49Å; W547-S553 VanDerWaalsContact NE1-OG 3.07Å; W547-V937 HydrophobicContact CH2-CG1 4.24Å; W547-H941 AromaticContact CH2-CD2 3.74Å; W547-H941 HydrophobicContact CZ2-CB 4.4Å; W547-H941 AromaticContact CZ2-CD2 3.81Å; W547-S1002 WeakPolarHBondContact CZ3-O 3.48Å; W547-G1006 VanDerWaalsContact CZ3-CA 3.42Å |
| 548 | G | 48.3 | Very low | 53.4 | Low | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | trans | -72.3 | -160.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D550 S551 | G548-D550 PolarHBondContact O-N 3.42Å; G548-S551 WeakPolarHBondContact O-CB 3.41Å; G548-S551 PolarHBondContact O-N 3.11Å; G548-S551 PolarHBondContact O-OG 3.17Å | ||
| 549 | D | 43.5 | Very low | 53 | Low | 58 Ų | 58 | 36 Ų | 36 | 31% | 0.31 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.5 | -171.5 | -54.1 | 35.3 | 0 | 0 | 0 | 112.7 | R556 H1122 M1124 C1197 | D549-R556 PolarHBondContact O-NH2 3Å; D549-H1122 IonicContact OD2-CE1 3.21Å; D549-M1124 WeakPolarHBondContact OD1-CG 3.38Å; D549-C1197 PolarHBondContact OD2-SG 3.01Å |
| 550 | D | 48.5 | Very low | 52.6 | Low | 93 Ų | 93 | 36.3 Ų | 36.3 | 50% | 0.497 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -7.1 | 172.4 | -68.5 | -48.8 | 0 | 0 | 0 | 116.1 | G548 K604 R1049 | G548-D550 PolarHBondContact O-N 3.42Å; D550-K604 PolarHBondContact O-NZ 2.66Å; D550-K604 VanDerWaalsContact O-NZ 3.09Å; D550-R1049 IonicContact OD2-NH2 3.31Å |
| 551 | S | 49 | Very low | 52.4 | Low | 10 Ų | 10 | 34.5 Ų | 34.5 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | trans | -70.5 | 143.2 | -156 | 69.8 | 0 | 0 | 0 | 0 | 115.2 | W547 G548 S553 F554 | W547-S551 VanDerWaalsContact CB-CB 3.44Å; W547-S551 PolarHBondContact O-OG 2.79Å; G548-S551 WeakPolarHBondContact O-CB 3.41Å; G548-S551 PolarHBondContact O-N 3.11Å; G548-S551 PolarHBondContact O-OG 3.17Å; S551-S553 PolarHBondContact O-N 3.14Å; S551-F554 PolarHBondContact O-N 2.98Å | ||
| 552 | I | 43.5 | Very low | 52.2 | Low | 49 Ų | 49 | 35 Ų | 35 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.1 | -177.5 | -65.9 | 158.7 | 0 | 0 | 0 | 111.9 | W601 K604 T938 | I552-W601 VanDerWaalsContact CG2-NE1 3.31Å; I552-K604 HydrophobicContact CD1-CD 3.95Å; I552-K604 HydrophobicContact CD1-CG 4.26Å; I552-K604 HydrophobicContact CG1-CD 3.66Å; I552-K604 HydrophobicContact CG1-CG 4.12Å; I552-T938 HydrophobicContact CB-CG2 3.89Å; I552-T938 HydrophobicContact CD1-CG2 3.77Å; I552-T938 HydrophobicContact CG1-CG2 4.43Å; I552-T938 HydrophobicContact CG2-CG2 3.81Å |
| 553 | S | 44.8 | Very low | 51.9 | Low | 42 Ų | 42 | 37.7 Ų | 37.7 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 8.3 | 177.4 | 74.2 | 0 | 0 | 0 | 0 | 114.5 | W547 S551 P555 | W547-S553 VanDerWaalsContact CD1-OG 3.26Å; W547-S553 PolarHBondContact NE1-OG 3.49Å; W547-S553 VanDerWaalsContact NE1-OG 3.07Å; S551-S553 PolarHBondContact O-N 3.14Å; S553-P555 WeakPolarHBondContact O-CD 3.5Å |
| 554 | F | 47.4 | Very low | 51.7 | Low | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.057 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -85.6 | 118.1 | 166.3 | -149.4 | -57.1 | 0 | 0 | 0 | 108.2 | Y545 S551 R556 M1124 P1196 Y1200 | Y545-F554 HydrophobicContact CD1-CB 4.42Å; Y545-F554 HydrophobicContact CD1-CD1 4.13Å; Y545-F554 AromaticContact CD1-CD2 3.4Å; Y545-F554 HydrophobicContact CD1-CD2 3.4Å; Y545-F554 HydrophobicContact CD1-CE1 4.07Å; Y545-F554 AromaticContact CD1-CE2 3.38Å; Y545-F554 HydrophobicContact CD1-CE2 3.38Å; Y545-F554 AromaticContact CD1-CG 3.77Å; Y545-F554 HydrophobicContact CD1-CG 3.77Å; Y545-F554 AromaticContact CD1-CZ 3.71Å; Y545-F554 HydrophobicContact CD1-CZ 3.71Å; Y545-F554 AromaticContact CE1-CD1 3.64Å; Y545-F554 HydrophobicContact CE1-CD1 3.64Å; Y545-F554 AromaticContact CE1-CD2 3.77Å; Y545-F554 HydrophobicContact CE1-CD2 3.77Å; Y545-F554 AromaticContact CE1-CE1 3.39Å; Y545-F554 HydrophobicContact CE1-CE1 3.39Å; Y545-F554 AromaticContact CE1-CE2 3.58Å; Y545-F554 HydrophobicContact CE1-CE2 3.58Å; Y545-F554 AromaticContact CE1-CG 3.77Å; Y545-F554 HydrophobicContact CE1-CG 3.77Å; Y545-F554 AromaticContact CE1-CZ 3.36Å; Y545-F554 HydrophobicContact CE1-CZ 3.36Å; Y545-F554 HydrophobicContact CG-CD2 4.43Å; Y545-F554 HydrophobicContact CG-CE2 4.19Å; S551-F554 PolarHBondContact O-N 2.98Å; F554-R556 PolarHBondContact O-N 3.43Å; F554-M1124 HydrophobicContact CE2-CE 4.18Å; F554-P1196 HydrophobicContact CD1-CB 3.54Å; F554-P1196 HydrophobicContact CD1-CG 4.49Å; F554-P1196 HydrophobicContact CE1-CB 3.14Å; F554-P1196 HydrophobicContact CE1-CG 4.42Å; F554-P1196 HydrophobicContact CE2-CB 4.29Å; F554-P1196 HydrophobicContact CG-CB 4.34Å; F554-P1196 HydrophobicContact CZ-CB 3.57Å; F554-P1196 WeakPolarHBondContact CZ-O 3.21Å; F554-Y1200 HydrophobicContact CE2-CG 4.44Å |
| 555 | P | 47.3 | Very low | 51.9 | Low | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | trans | -66 | 105.5 | 171.6 | -16.3 | 32.4 | 0 | 0 | 0 | 108.2 | S553 E557 I561 L564 F597 | S553-P555 WeakPolarHBondContact O-CD 3.5Å; P555-E557 PolarHBondContact O-N 2.78Å; P555-I561 WeakPolarHBondContact O-CD1 3.38Å; P555-I561 WeakPolarHBondContact O-CG1 3.46Å; P555-L564 HydrophobicContact CG-CD1 3.91Å; P555-F597 HydrophobicContact CG-CE1 3.98Å | ||
| 556 | R | 51.9 | Low | 52.1 | Low | 115 Ų | 115 | 35.2 Ų | 35.2 | 43% | 0.434 | 18% | 0.184 | S | C | . | . | trans | -74.7 | -6.9 | 176 | -68 | -178.1 | 167.1 | -159.1 | -11.5 | 112.3 | D549 F554 | D549-R556 PolarHBondContact O-NH2 3Å; F554-R556 PolarHBondContact O-N 3.43Å | ||
| 557 | E | 52.6 | Low | 52.4 | Low | 24 Ų | 24 | 36.9 Ų | 36.9 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -83.7 | 121 | -177.1 | -65.9 | -178.3 | 174.2 | 0 | 0 | 110.6 | F504 T507 P555 K559 S560 I561 | F504-E557 WeakPolarHBondContact CA-OE1 3.19Å; F504-E557 HydrophobicContact CB-CG 3.57Å; F504-E557 WeakPolarHBondContact CB-OE1 3.4Å; F504-E557 HydrophobicContact CD1-CB 3.22Å; F504-E557 HydrophobicContact CD1-CG 2.31Å; F504-E557 WeakPolarHBondContact CD1-OE1 3.47Å; F504-E557 WeakPolarHBondContact CD1-OE2 3.43Å; F504-E557 HydrophobicContact CD2-CB 3.87Å; F504-E557 HydrophobicContact CD2-CG 2.3Å; F504-E557 WeakPolarHBondContact CD2-OE1 3.34Å; F504-E557 HydrophobicContact CE1-CB 2.67Å; F504-E557 HydrophobicContact CE1-CG 2.31Å; F504-E557 WeakPolarHBondContact CE1-OE2 3.47Å; F504-E557 HydrophobicContact CE2-CB 3.44Å; F504-E557 VanDerWaalsContact CE2-CB 3.44Å; F504-E557 HydrophobicContact CE2-CG 2.32Å; F504-E557 WeakPolarHBondContact CE2-OE1 3.5Å; F504-E557 WeakPolarHBondContact CE2-OE2 3.43Å; F504-E557 HydrophobicContact CG-CB 3.78Å; F504-E557 HydrophobicContact CG-CG 2.31Å; F504-E557 WeakPolarHBondContact CG-OE1 3.46Å; F504-E557 WeakPolarHBondContact CG-OE2 3.37Å; F504-E557 HydrophobicContact CZ-CB 2.8Å; F504-E557 HydrophobicContact CZ-CG 2.3Å; F504-E557 WeakPolarHBondContact CZ-OE1 3.14Å; F504-E557 WeakPolarHBondContact CZ-OE2 3.08Å; T507-E557 WeakPolarHBondContact CB-OE1 3.24Å; T507-E557 WeakPolarHBondContact CB-OE2 3.16Å; T507-E557 PolarHBondContact OG1-OE1 3.17Å; T507-E557 PolarHBondContact OG1-OE2 2.95Å; P555-E557 PolarHBondContact O-N 2.78Å; E557-K559 PolarHBondContact O-N 3Å; E557-K559 VanDerWaalsContact O-N 3.12Å; E557-S560 PolarHBondContact O-N 3.31Å; E557-I561 WeakPolarHBondContact O-CG1 3.22Å; E557-I561 PolarHBondContact O-N 3.38Å |
| 558 | T | 52.1 | Low | 52.6 | Low | 94 Ų | 94 | 36.9 Ų | 36.9 | 58% | 0.577 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -54.1 | -33 | 178.7 | 48.9 | 0 | 0 | 0 | 0 | 113 | I561 A562 | T558-I561 PolarHBondContact O-N 2.96Å; T558-A562 WeakPolarHBondContact O-CB 3.29Å; T558-A562 PolarHBondContact O-N 3.33Å |
| 559 | K | 52.4 | Low | 53.2 | Low | 94 Ų | 94 | 38.3 Ų | 38.3 | 41% | 0.409 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.7 | -52.4 | 174.4 | -159.8 | -161.7 | -172.1 | -122.8 | 0 | 111.6 | E557 I561 A562 E563 | E557-K559 PolarHBondContact O-N 3Å; E557-K559 VanDerWaalsContact O-N 3.12Å; K559-I561 VanDerWaalsContact C-N 3.31Å; K559-I561 PolarHBondContact O-N 3.01Å; K559-A562 WeakPolarHBondContact O-CB 3.41Å; K559-A562 PolarHBondContact O-N 2.86Å; K559-A562 VanDerWaalsContact O-N 3.14Å; K559-E563 WeakPolarHBondContact CD-OE1 3.26Å; K559-E563 WeakPolarHBondContact CE-OE1 3.31Å; K559-E563 IonicContact NZ-OE1 3.39Å; K559-E563 PolarHBondContact NZ-OE1 3.11Å; K559-E563 WeakPolarHBondContact O-CB 3.37Å; K559-E563 VanDerWaalsContact O-CG 3.29Å; K559-E563 WeakPolarHBondContact O-CG 3.33Å; K559-E563 PolarHBondContact O-N 3.23Å |
| 560 | S | 53.8 | Low | 53.5 | Low | 5 Ų | 5 | 38.9 Ų | 38.9 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69 | -30 | -179.8 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | E557 E563 L564 | E557-S560 PolarHBondContact O-N 3.31Å; S560-E563 WeakPolarHBondContact CA-OE2 3.44Å; S560-L564 WeakPolarHBondContact O-CB 3.48Å; S560-L564 WeakPolarHBondContact O-CD1 3.19Å; S560-L564 VanDerWaalsContact O-CG 3.26Å; S560-L564 WeakPolarHBondContact O-CG 3.38Å; S560-L564 PolarHBondContact O-N 2.9Å |
| 561 | I | 55.8 | Low | 53.4 | Low | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 169.8 | -63.8 | 170.3 | 0 | 0 | 0 | 110.4 | P555 E557 T558 K559 W565 Y1171 P1196 V1199 | P555-I561 WeakPolarHBondContact O-CD1 3.38Å; P555-I561 WeakPolarHBondContact O-CG1 3.46Å; E557-I561 WeakPolarHBondContact O-CG1 3.22Å; E557-I561 PolarHBondContact O-N 3.38Å; T558-I561 PolarHBondContact O-N 2.96Å; K559-I561 VanDerWaalsContact C-N 3.31Å; K559-I561 PolarHBondContact O-N 3.01Å; I561-W565 VanDerWaalsContact O-CB 3.3Å; I561-W565 WeakPolarHBondContact O-CB 3.45Å; I561-W565 PolarHBondContact O-N 3.5Å; I561-Y1171 HydrophobicContact CG2-CE1 4.3Å; I561-Y1171 WeakPolarHBondContact CG2-OH 3.48Å; I561-P1196 HydrophobicContact CD1-CB 4Å; I561-P1196 HydrophobicContact CD1-CG 4.15Å; I561-V1199 HydrophobicContact CG2-CB 3.92Å; I561-V1199 HydrophobicContact CG2-CG1 3.77Å; I561-V1199 HydrophobicContact CG2-CG2 3.73Å |
| 562 | A | 55.2 | Low | 52.8 | Low | 13 Ų | 13 | 41.9 Ų | 41.9 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T558 K559 W565 S566 Y1171 F1175 | T558-A562 WeakPolarHBondContact O-CB 3.29Å; T558-A562 PolarHBondContact O-N 3.33Å; K559-A562 WeakPolarHBondContact O-CB 3.41Å; K559-A562 PolarHBondContact O-N 2.86Å; K559-A562 VanDerWaalsContact O-N 3.14Å; A562-W565 WeakPolarHBondContact O-CB 3.47Å; A562-W565 PolarHBondContact O-N 2.71Å; A562-W565 VanDerWaalsContact O-N 3.17Å; A562-S566 PolarHBondContact O-N 3.32Å; A562-Y1171 HydrophobicContact CB-CD1 3.53Å; A562-Y1171 HydrophobicContact CB-CE1 3.69Å; A562-F1175 HydrophobicContact CB-CE2 3.98Å |
| 563 | E | 56.4 | Low | 52.4 | Low | 55 Ų | 55 | 45 Ų | 45 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 177.5 | -72.2 | 163.1 | 165.3 | 0 | 0 | 110.8 | K559 S560 W565 S566 L567 | K559-E563 WeakPolarHBondContact CD-OE1 3.26Å; K559-E563 WeakPolarHBondContact CE-OE1 3.31Å; K559-E563 IonicContact NZ-OE1 3.39Å; K559-E563 PolarHBondContact NZ-OE1 3.11Å; K559-E563 WeakPolarHBondContact O-CB 3.37Å; K559-E563 VanDerWaalsContact O-CG 3.29Å; K559-E563 WeakPolarHBondContact O-CG 3.33Å; K559-E563 PolarHBondContact O-N 3.23Å; S560-E563 WeakPolarHBondContact CA-OE2 3.44Å; E563-W565 VanDerWaalsContact C-N 3.33Å; E563-W565 PolarHBondContact O-N 2.81Å; E563-S566 PolarHBondContact O-N 2.82Å; E563-S566 PolarHBondContact O-OG 3.13Å; E563-L567 WeakPolarHBondContact O-CG 3.3Å; E563-L567 PolarHBondContact O-N 3.32Å |
| 564 | L | 57.8 | Low | 51.8 | Low | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | 173.8 | -71.1 | 165.3 | 0 | 0 | 0 | 112.1 | L541 Y545 P555 S560 L567 F568 L593 F597 | L541-L564 HydrophobicContact CD2-CD2 3.76Å; Y545-L564 VanDerWaalsContact OH-CD1 3.27Å; Y545-L564 WeakPolarHBondContact OH-CD1 3.45Å; P555-L564 HydrophobicContact CG-CD1 3.91Å; S560-L564 WeakPolarHBondContact O-CB 3.48Å; S560-L564 WeakPolarHBondContact O-CD1 3.19Å; S560-L564 VanDerWaalsContact O-CG 3.26Å; S560-L564 WeakPolarHBondContact O-CG 3.38Å; S560-L564 PolarHBondContact O-N 2.9Å; L564-L567 HydrophobicContact CD2-CD1 4.4Å; L564-L567 PolarHBondContact O-N 3.12Å; L564-F568 VanDerWaalsContact O-CD2 3.27Å; L564-F568 WeakPolarHBondContact O-CD2 3.48Å; L564-F568 PolarHBondContact O-N 3.35Å; L564-L593 HydrophobicContact CD2-CD2 3.7Å; L564-F597 HydrophobicContact CD1-CE1 3.89Å; L564-F597 HydrophobicContact CD1-CZ 3.68Å; L564-F597 HydrophobicContact CD2-CE2 4.04Å; L564-F597 HydrophobicContact CD2-CZ 3.89Å; L564-F597 HydrophobicContact CG-CE1 4.35Å; L564-F597 HydrophobicContact CG-CE2 4.23Å; L564-F597 HydrophobicContact CG-CZ 3.62Å |
| 565 | W | 64 | Low | 50.9 | Low | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 174.5 | -170.7 | -109.9 | 0 | 0 | 0 | 111.8 | I561 A562 E563 L567 F568 T569 L1167 N1168 V1199 A1202 A1203 | I561-W565 VanDerWaalsContact O-CB 3.3Å; I561-W565 WeakPolarHBondContact O-CB 3.45Å; I561-W565 PolarHBondContact O-N 3.5Å; A562-W565 WeakPolarHBondContact O-CB 3.47Å; A562-W565 PolarHBondContact O-N 2.71Å; A562-W565 VanDerWaalsContact O-N 3.17Å; E563-W565 VanDerWaalsContact C-N 3.33Å; E563-W565 PolarHBondContact O-N 2.81Å; W565-L567 VanDerWaalsContact C-N 3.28Å; W565-L567 PolarHBondContact O-N 3.19Å; W565-F568 CarbonylContact O-C 3.6Å; W565-F568 WeakPolarHBondContact O-CA 3.48Å; W565-F568 WeakPolarHBondContact O-CB 3.48Å; W565-F568 PolarHBondContact O-N 3.24Å; W565-T569 HydrophobicContact CD2-CG2 3.86Å; W565-T569 VanDerWaalsContact CE2-CG2 3.4Å; W565-T569 HydrophobicContact CE3-CG2 4.41Å; W565-T569 HydrophobicContact CG-CG2 4.27Å; W565-T569 HydrophobicContact CH2-CG2 4.15Å; W565-T569 HydrophobicContact CZ2-CG2 3.59Å; W565-T569 WeakPolarHBondContact O-CG2 3.46Å; W565-T569 PolarHBondContact O-N 2.7Å; W565-T569 PolarHBondContact O-OG1 3.33Å; W565-L1167 HydrophobicContact CZ2-CB 4.49Å; W565-N1168 VanDerWaalsContact CZ2-OD1 3.3Å; W565-N1168 WeakPolarHBondContact CZ2-OD1 3.34Å; W565-N1168 PolarHBondContact NE1-OD1 3.32Å; W565-V1199 HydrophobicContact CD2-CG1 4.15Å; W565-V1199 HydrophobicContact CE3-CG1 3.57Å; W565-V1199 HydrophobicContact CZ3-CG1 4.21Å; W565-A1202 HydrophobicContact CH2-CB 3.53Å; W565-A1202 HydrophobicContact CZ3-CB 3.59Å; W565-A1203 HydrophobicContact CZ3-CB 4.48Å |
| 566 | S | 61.8 | Low | 50.1 | Low | 22 Ų | 22 | 58 Ų | 58 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | A562 E563 F568 N570 | A562-S566 PolarHBondContact O-N 3.32Å; E563-S566 PolarHBondContact O-N 2.82Å; E563-S566 PolarHBondContact O-OG 3.13Å; S566-F568 VanDerWaalsContact C-N 3.32Å; S566-F568 PolarHBondContact O-N 3.02Å; S566-N570 PolarHBondContact O-N 2.87Å; S566-N570 VanDerWaalsContact O-N 3.14Å |
| 567 | L | 60.6 | Low | 49 | Very low | 46 Ų | 46 | 57.7 Ų | 57.7 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -33.9 | 172.6 | -71.6 | 175.5 | 0 | 0 | 0 | 112.3 | K533 E563 L564 W565 L593 | K533-L567 VanDerWaalsContact CD-O 3.29Å; K533-L567 WeakPolarHBondContact CD-O 3.33Å; K533-L567 PolarHBondContact NZ-O 3.1Å; E563-L567 WeakPolarHBondContact O-CG 3.3Å; E563-L567 PolarHBondContact O-N 3.32Å; L564-L567 HydrophobicContact CD2-CD1 4.4Å; L564-L567 PolarHBondContact O-N 3.12Å; W565-L567 VanDerWaalsContact C-N 3.28Å; W565-L567 PolarHBondContact O-N 3.19Å; L567-L593 HydrophobicContact CD1-CD2 3.62Å |
| 568 | F | 58.4 | Low | 48 | Very low | 10 Ų | 10 | 61.2 Ų | 61.2 | 4% | 0.044 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -76.1 | -42.1 | 173.6 | -89.8 | -71.1 | 0 | 0 | 0 | 114.3 | R538 L541 L564 W565 S566 A1203 | R538-F568 HydrophobicContact CB-CD1 4.04Å; R538-F568 HydrophobicContact CB-CE1 3.95Å; R538-F568 HydrophobicContact CG-CD1 3.98Å; R538-F568 HydrophobicContact CG-CE1 4.38Å; R538-F568 WeakPolarHBondContact O-CE1 3.41Å; L541-F568 HydrophobicContact CB-CE1 3.72Å; L541-F568 HydrophobicContact CB-CE2 3.67Å; L541-F568 HydrophobicContact CB-CZ 3.21Å; L541-F568 HydrophobicContact CD1-CD1 4.17Å; L541-F568 HydrophobicContact CD1-CD2 4.24Å; L541-F568 HydrophobicContact CD1-CE1 4.14Å; L541-F568 HydrophobicContact CD1-CE2 4.21Å; L541-F568 HydrophobicContact CD1-CG 4.22Å; L541-F568 HydrophobicContact CD1-CZ 4.17Å; L541-F568 HydrophobicContact CG-CE2 4.4Å; L541-F568 HydrophobicContact CG-CZ 4.27Å; L564-F568 VanDerWaalsContact O-CD2 3.27Å; L564-F568 WeakPolarHBondContact O-CD2 3.48Å; L564-F568 PolarHBondContact O-N 3.35Å; W565-F568 CarbonylContact O-C 3.6Å; W565-F568 WeakPolarHBondContact O-CA 3.48Å; W565-F568 WeakPolarHBondContact O-CB 3.48Å; W565-F568 PolarHBondContact O-N 3.24Å; S566-F568 VanDerWaalsContact C-N 3.32Å; S566-F568 PolarHBondContact O-N 3.02Å; F568-A1203 HydrophobicContact CD1-CB 4.14Å; F568-A1203 HydrophobicContact CD2-CB 3.96Å; F568-A1203 HydrophobicContact CE1-CB 3.8Å; F568-A1203 HydrophobicContact CE2-CB 3.6Å; F568-A1203 HydrophobicContact CG-CB 4.22Å; F568-A1203 HydrophobicContact CZ-CB 3.5Å |
| 569 | T | 59.4 | Low | 46.9 | Very low | 35 Ų | 35 | 64 Ų | 64 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -93.7 | -10 | -167.7 | 58.6 | 0 | 0 | 0 | 0 | 115.1 | W565 N571 | W565-T569 HydrophobicContact CD2-CG2 3.86Å; W565-T569 VanDerWaalsContact CE2-CG2 3.4Å; W565-T569 HydrophobicContact CE3-CG2 4.41Å; W565-T569 HydrophobicContact CG-CG2 4.27Å; W565-T569 HydrophobicContact CH2-CG2 4.15Å; W565-T569 HydrophobicContact CZ2-CG2 3.59Å; W565-T569 WeakPolarHBondContact O-CG2 3.46Å; W565-T569 PolarHBondContact O-N 2.7Å; W565-T569 PolarHBondContact O-OG1 3.33Å; T569-N571 PolarHBondContact O-N 2.59Å |
| 570 | N | 51.4 | Low | 46 | Very low | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | trans | 72.1 | 19.9 | 170.8 | -150.2 | 78.7 | 0 | 0 | 0 | 115.7 | K533 S566 N572 | K533-N570 WeakPolarHBondContact CD-OD1 3.38Å; K533-N570 WeakPolarHBondContact CE-OD1 3.49Å; K533-N570 WeakPolarHBondContact CG-OD1 3.32Å; S566-N570 PolarHBondContact O-N 2.87Å; S566-N570 VanDerWaalsContact O-N 3.14Å; N570-N572 PolarHBondContact O-N 2.7Å; N570-N572 VanDerWaalsContact O-N 3.12Å | ||
| 571 | N | 45.5 | Very low | 44.8 | Very low | 72 Ų | 72 | 68.5 Ų | 68.5 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -78.4 | 88 | 172.9 | -86.1 | 5.4 | 0 | 0 | 0 | 111.8 | T569 N1172 | T569-N571 PolarHBondContact O-N 2.59Å; N571-N1172 PolarHBondContact ND2-ND2 3.24Å; N571-N1172 VanDerWaalsContact ND2-ND2 3.11Å; N571-N1172 PolarHBondContact ND2-OD1 3.36Å | ||
| 572 | N | 37.6 | Very low | 43.7 | Very low | 94 Ų | 94 | 73.5 Ų | 73.5 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -106 | 76.6 | 168.6 | -83.9 | 53.6 | 0 | 0 | 0 | 109.4 | N570 N574 | N570-N572 PolarHBondContact O-N 2.7Å; N570-N572 VanDerWaalsContact O-N 3.12Å; N572-N574 VanDerWaalsContact C-N 3.31Å; N572-N574 PolarHBondContact O-N 3.08Å | ||
| 573 | N | 34.6 | Very low | 42.5 | Very low | 115 Ų | 115 | 76 Ų | 76 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | trans | -84 | 6.2 | 179.8 | -88.3 | 2.4 | 0 | 0 | 0 | 114.7 | ||||
| 574 | N | 31.2 | Very low | 41.4 | Very low | 76 Ų | 76 | 81 Ų | 81 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -129.2 | 141.4 | -174.6 | -76.8 | -63.5 | 0 | 0 | 0 | 112.6 | N572 S576 L1179 | N572-N574 VanDerWaalsContact C-N 3.31Å; N572-N574 PolarHBondContact O-N 3.08Å; N574-S576 PolarHBondContact O-N 3.22Å; N574-L1179 HydrophobicContact CB-CD2 4.49Å |
| 575 | N | 29.2 | Very low | 40 | Very low | 175 Ų | 175 | 87.7 Ų | 87.7 | 94% | 0.936 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -76.9 | 44.6 | -168.1 | -72.8 | -17.4 | 0 | 0 | 0 | 115 | ||
| 576 | S | 29.5 | Very low | 38.5 | Very low | 85 Ų | 85 | 92.1 Ų | 92.1 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | trans | -113.6 | 93.3 | 165.1 | 58.9 | 0 | 0 | 0 | 0 | 108.9 | N574 I578 | N574-S576 PolarHBondContact O-N 3.22Å; S576-I578 PolarHBondContact O-N 2.98Å; S576-I578 VanDerWaalsContact O-N 3.14Å | ||
| 577 | P | 29.4 | Very low | 37.2 | Very low | 108 Ų | 108 | 94 Ų | 94 | 70% | 0.701 | 50% | 0.504 | S | S | * | . | trans | -62.6 | 119.2 | 170.8 | 26.6 | -32.4 | 0 | 0 | 0 | 108.1 | I579 | P577-I579 PolarHBondContact O-N 3.31Š| ||
| 578 | I | 32.8 | Very low | 35.9 | Very low | 98 Ų | 98 | 93.5 Ų | 93.5 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | trans | -58.4 | 113.8 | 162.7 | -63.6 | 173.7 | 0 | 0 | 0 | 105 | S576 I580 | S576-I578 PolarHBondContact O-N 2.98Å; S576-I578 VanDerWaalsContact O-N 3.14Å; I578-I580 VanDerWaalsContact C-N 3.29Å; I578-I580 PolarHBondContact O-N 3.37Å | ||
| 579 | I | 28.6 | Very low | 34.6 | Very low | 152 Ų | 152 | 96.3 Ų | 96.3 | 78% | 0.779 | 52% | 0.518 | S | S | * | . | trans | -68.4 | 93.5 | -177.3 | -59.8 | 177.6 | 0 | 0 | 0 | 107.5 | P577 D581 | P577-I579 PolarHBondContact O-N 3.31Å; I579-D581 PolarHBondContact O-N 3.41Å | ||
| 580 | I | 33.8 | Very low | 33.4 | Very low | 107 Ų | 107 | 96 Ų | 96 | 55% | 0.549 | 52% | 0.521 | S | S | . | . | trans | -74.6 | 82.8 | 169.8 | -59.4 | 178.8 | 0 | 0 | 0 | 106.2 | I578 S582 I587 | I578-I580 VanDerWaalsContact C-N 3.29Å; I578-I580 PolarHBondContact O-N 3.37Å; I580-S582 PolarHBondContact O-N 3.3Å; I580-I587 HydrophobicContact CG2-CD1 3.54Å; I580-I587 HydrophobicContact CG2-CG1 4.35Å | ||
| 581 | D | 27.8 | Very low | 32.5 | Very low | 86 Ų | 86 | 96.9 Ų | 96.9 | 46% | 0.46 | 52% | 0.523 | S | S | . | . | trans | -44.2 | 129.5 | 169 | 178.6 | 25.2 | 0 | 0 | 0 | 109.9 | I579 D583 K586 | I579-D581 PolarHBondContact O-N 3.41Å; D581-D583 PolarHBondContact O-N 3.16Å; D581-K586 IonicContact OD2-NZ 3.83Å; D581-K586 PolarHBondContact OD2-NZ 3.41Å | ||
| 582 | S | 31.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 97 Ų | 97 | 80% | 0.797 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -64.9 | -3.8 | -155.7 | 58.2 | 0 | 0 | 0 | 0 | 116.1 | I580 Q584 | I580-S582 PolarHBondContact O-N 3.3Å; S582-Q584 PolarHBondContact O-N 3.12Å; S582-Q584 VanDerWaalsContact O-N 3.1Å |
| 583 | D | 30.2 | Very low | 31.8 | Very low | 65 Ų | 65 | 93.7 Ų | 93.7 | 35% | 0.348 | 51% | 0.505 | S | S | . | . | trans | -76.5 | 87.5 | 172.4 | -122.1 | -23.8 | 0 | 0 | 0 | 111.2 | D581 K585 K586 | D581-D583 PolarHBondContact O-N 3.16Å; D583-K585 PolarHBondContact O-N 3.49Å; D583-K585 IonicContact OD1-NZ 2.7Å; D583-K585 PolarHBondContact OD1-NZ 3.2Å; D583-K586 HydrophobicContact CB-CD 4.18Å; D583-K586 HydrophobicContact CB-CG 4.24Å; D583-K586 PolarHBondContact O-N 2.83Å | ||
| 584 | Q | 33 | Very low | 31.9 | Very low | 159 Ų | 159 | 89.3 Ų | 89.3 | 74% | 0.743 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -49 | -21.9 | 172.7 | -69.2 | -175.3 | -9.4 | 0 | 0 | 113.8 | S582 K586 I587 | S582-Q584 PolarHBondContact O-N 3.12Å; S582-Q584 VanDerWaalsContact O-N 3.1Å; Q584-K586 VanDerWaalsContact C-N 3.33Å; Q584-K586 PolarHBondContact O-N 3.1Å; Q584-I587 PolarHBondContact O-N 3.08Å |
| 585 | K | 30.4 | Very low | 32 | Very low | 149 Ų | 149 | 89.1 Ų | 89.1 | 65% | 0.648 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.6 | -33 | 174.5 | -61.9 | 172.6 | -163 | 131 | 0 | 113.8 | D583 I587 | D583-K585 PolarHBondContact O-N 3.49Å; D583-K585 IonicContact OD1-NZ 2.7Å; D583-K585 PolarHBondContact OD1-NZ 3.2Å; K585-I587 VanDerWaalsContact C-N 3.33Å |
| 586 | K | 32.1 | Very low | 32.3 | Very low | 96 Ų | 96 | 87.8 Ų | 87.8 | 42% | 0.417 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.8 | -29.6 | -178.4 | -66 | 175.7 | -174.2 | 178.3 | 0 | 112.2 | D581 D583 Q584 | D581-K586 IonicContact OD2-NZ 3.83Å; D581-K586 PolarHBondContact OD2-NZ 3.41Å; D583-K586 HydrophobicContact CB-CD 4.18Å; D583-K586 HydrophobicContact CB-CG 4.24Å; D583-K586 PolarHBondContact O-N 2.83Å; Q584-K586 VanDerWaalsContact C-N 3.33Å; Q584-K586 PolarHBondContact O-N 3.1Å |
| 587 | I | 33.4 | Very low | 32.8 | Very low | 63 Ų | 63 | 85.9 Ų | 85.9 | 32% | 0.323 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.9 | -37.1 | -176.5 | -46.9 | 175.3 | 0 | 0 | 0 | 111.4 | I580 Q584 K585 N589 G590 I592 | I580-I587 HydrophobicContact CG2-CD1 3.54Å; I580-I587 HydrophobicContact CG2-CG1 4.35Å; Q584-I587 PolarHBondContact O-N 3.08Å; K585-I587 VanDerWaalsContact C-N 3.33Å; I587-N589 VanDerWaalsContact C-N 3.25Å; I587-N589 PolarHBondContact O-N 2.89Å; I587-G590 PolarHBondContact O-N 2.86Å; I587-I592 HydrophobicContact CG1-CD1 4.17Å |
| 588 | V | 34.1 | Very low | 33.3 | Very low | 35 Ų | 35 | 84.5 Ų | 84.5 | 21% | 0.212 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.2 | -30.4 | -176.8 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | V1069 | V588-V1069 HydrophobicContact CG1-CG2 4.46Å |
| 589 | N | 31.4 | Very low | 33.9 | Very low | 68 Ų | 68 | 83.8 Ų | 83.8 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 18.2 | -177.5 | -66 | 11.5 | 0 | 0 | 0 | 113.4 | I587 H591 | I587-N589 VanDerWaalsContact C-N 3.25Å; I587-N589 PolarHBondContact O-N 2.89Å; N589-H591 PolarHBondContact O-N 3.1Å; N589-H591 VanDerWaalsContact O-N 3.09Å |
| 590 | G | 34.2 | Very low | 35 | Very low | 28 Ų | 28 | 78.8 Ų | 78.8 | 29% | 0.289 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 6.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I587 I592 L593 N594 | I587-G590 PolarHBondContact O-N 2.86Å; G590-I592 VanDerWaalsContact C-N 3.26Å; G590-I592 PolarHBondContact O-N 3.43Å; G590-I592 VanDerWaalsContact O-N 3.11Å; G590-L593 WeakPolarHBondContact O-CB 3.22Å; G590-L593 PolarHBondContact O-N 3.08Å; G590-N594 PolarHBondContact O-N 3Å |
| 591 | H | 31.3 | Very low | 36.3 | Very low | 90 Ų | 90 | 75.6 Ų | 75.6 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.4 | -31.6 | -171.8 | -73.8 | -71 | 0 | 0 | 0 | 114.9 | N589 L593 N594 S595 | N589-H591 PolarHBondContact O-N 3.1Å; N589-H591 VanDerWaalsContact O-N 3.09Å; H591-L593 VanDerWaalsContact C-N 3.34Å; H591-N594 PolarHBondContact O-N 3.33Å; H591-S595 PolarHBondContact O-N 3.31Å |
| 592 | I | 34.1 | Very low | 38.1 | Very low | 73 Ų | 73 | 75.1 Ų | 75.1 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.8 | -27.5 | 179.2 | -59.6 | 175.1 | 0 | 0 | 0 | 112.1 | I587 G590 S595 | I587-I592 HydrophobicContact CG1-CD1 4.17Å; G590-I592 VanDerWaalsContact C-N 3.26Å; G590-I592 PolarHBondContact O-N 3.43Å; G590-I592 VanDerWaalsContact O-N 3.11Å; I592-S595 PolarHBondContact O-OG 3.14Å |
| 593 | L | 35 | Very low | 39.8 | Very low | 25 Ų | 25 | 70.2 Ų | 70.2 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75.9 | -46.5 | 165.2 | -75.7 | 158.3 | 0 | 0 | 0 | 109.5 | L541 I544 L564 L567 G590 H591 S595 H596 F597 | L541-L593 HydrophobicContact CD2-CD1 3.64Å; L541-L593 HydrophobicContact CD2-CD2 4.07Å; L541-L593 HydrophobicContact CD2-CG 4.49Å; L541-L593 HydrophobicContact CG-CD1 4.45Å; I544-L593 HydrophobicContact CD1-CD1 3.88Å; L564-L593 HydrophobicContact CD2-CD2 3.7Å; L567-L593 HydrophobicContact CD1-CD2 3.62Å; G590-L593 WeakPolarHBondContact O-CB 3.22Å; G590-L593 PolarHBondContact O-N 3.08Å; H591-L593 VanDerWaalsContact C-N 3.34Å; L593-S595 VanDerWaalsContact C-N 3.31Å; L593-S595 PolarHBondContact O-N 2.65Å; L593-H596 PolarHBondContact O-N 2.97Å; L593-H596 VanDerWaalsContact O-N 3.15Å; L593-F597 HydrophobicContact CB-CD2 4.46Å; L593-F597 HydrophobicContact CD2-CD2 4.08Å; L593-F597 HydrophobicContact CD2-CE2 4.02Å; L593-F597 WeakPolarHBondContact O-CB 3.47Å; L593-F597 WeakPolarHBondContact O-CD2 3.4Å; L593-F597 PolarHBondContact O-N 3.5Å |
| 594 | N | 36 | Very low | 41.7 | Very low | 24 Ų | 24 | 72.2 Ų | 72.2 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -32.6 | -173.8 | -65.7 | -27.4 | 0 | 0 | 0 | 113.6 | G590 H591 H596 F597 Q598 Q944 | G590-N594 PolarHBondContact O-N 3Å; H591-N594 PolarHBondContact O-N 3.33Å; N594-H596 VanDerWaalsContact C-N 3.33Å; N594-H596 PolarHBondContact O-N 3.46Å; N594-F597 PolarHBondContact O-N 3.11Å; N594-Q598 WeakPolarHBondContact O-CB 3.29Å; N594-Q598 WeakPolarHBondContact O-CG 3.28Å; N594-Q598 PolarHBondContact O-N 3.41Å; N594-Q944 VanDerWaalsContact CG-NE2 3.28Å; N594-Q944 PolarHBondContact ND2-OE1 3.25Å; N594-Q944 PolarHBondContact OD1-NE2 3.1Å |
| 595 | S | 34.6 | Very low | 43.9 | Very low | 71 Ų | 71 | 67.3 Ų | 67.3 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 176 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | H591 I592 L593 | H591-S595 PolarHBondContact O-N 3.31Å; I592-S595 PolarHBondContact O-OG 3.14Å; L593-S595 VanDerWaalsContact C-N 3.31Å; L593-S595 PolarHBondContact O-N 2.65Å |
| 596 | H | 34.9 | Very low | 46.3 | Very low | 148 Ų | 148 | 61.8 Ų | 61.8 | 69% | 0.685 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -88.8 | -31.3 | 175.6 | -74.2 | -73 | 0 | 0 | 0 | 113.4 | L593 N594 | L593-H596 PolarHBondContact O-N 2.97Å; L593-H596 VanDerWaalsContact O-N 3.15Å; N594-H596 VanDerWaalsContact C-N 3.33Å; N594-H596 PolarHBondContact O-N 3.46Å |
| 597 | F | 39.1 | Very low | 48.5 | Very low | 44 Ų | 44 | 57.7 Ų | 57.7 | 19% | 0.193 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -89.6 | -9.2 | -177.2 | -80.1 | -92 | 0 | 0 | 0 | 114.8 | P555 L564 L593 N594 N599 I600 | P555-F597 HydrophobicContact CG-CE1 3.98Å; L564-F597 HydrophobicContact CD1-CE1 3.89Å; L564-F597 HydrophobicContact CD1-CZ 3.68Å; L564-F597 HydrophobicContact CD2-CE2 4.04Å; L564-F597 HydrophobicContact CD2-CZ 3.89Å; L564-F597 HydrophobicContact CG-CE1 4.35Å; L564-F597 HydrophobicContact CG-CE2 4.23Å; L564-F597 HydrophobicContact CG-CZ 3.62Å; L593-F597 HydrophobicContact CB-CD2 4.46Å; L593-F597 HydrophobicContact CD2-CD2 4.08Å; L593-F597 HydrophobicContact CD2-CE2 4.02Å; L593-F597 WeakPolarHBondContact O-CB 3.47Å; L593-F597 WeakPolarHBondContact O-CD2 3.4Å; L593-F597 PolarHBondContact O-N 3.5Å; N594-F597 PolarHBondContact O-N 3.11Å; F597-N599 PolarHBondContact O-N 2.7Å; F597-I600 HydrophobicContact CD1-CD1 3.63Å; F597-I600 HydrophobicContact CE1-CD1 3.83Å; F597-I600 HydrophobicContact CG-CD1 4.42Å; F597-I600 PolarHBondContact O-N 3.41Å |
| 598 | Q | 40.2 | Very low | 50.3 | Low | 79 Ų | 79 | 57.8 Ų | 57.8 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.9 | 174.4 | -94.5 | 168.9 | 29.4 | 0 | 0 | 114 | N594 | N594-Q598 WeakPolarHBondContact O-CB 3.29Å; N594-Q598 WeakPolarHBondContact O-CG 3.28Å; N594-Q598 PolarHBondContact O-N 3.41Å |
| 599 | N | 46.6 | Very low | 52.2 | Low | 84 Ų | 84 | 56.6 Ų | 56.6 | 45% | 0.449 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -8.9 | -178.7 | -69.5 | -14.9 | 0 | 0 | 0 | 114.8 | F597 Q769 | F597-N599 PolarHBondContact O-N 2.7Å; N599-Q769 PolarHBondContact O-NE2 3.27Å |
| 600 | I | 52.1 | Low | 54 | Low | 47 Ų | 47 | 57.5 Ų | 57.5 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -25.7 | -163.6 | -67.9 | 167.9 | 0 | 0 | 0 | 114.3 | F504 F597 | F504-I600 HydrophobicContact CE2-CG2 4.19Å; F504-I600 HydrophobicContact CZ-CD1 4.2Å; F504-I600 HydrophobicContact CZ-CG1 4.29Å; F597-I600 HydrophobicContact CD1-CD1 3.63Å; F597-I600 HydrophobicContact CE1-CD1 3.83Å; F597-I600 HydrophobicContact CG-CD1 4.42Å; F597-I600 PolarHBondContact O-N 3.41Å |
| 601 | W | 60.1 | Low | 55.6 | Low | 39 Ų | 39 | 60.4 Ų | 60.4 | 15% | 0.148 | 30% | 0.299 | C | S | . | . | trans | -78.2 | 127.6 | -179.9 | -173.1 | 76.6 | 0 | 0 | 0 | 112.6 | I552 P603 I765 A939 | I552-W601 VanDerWaalsContact CG2-NE1 3.31Å; W601-P603 HydrophobicContact CH2-CB 4.28Å; W601-I765 HydrophobicContact CE3-CD1 3.9Å; W601-I765 HydrophobicContact CH2-CD1 4.38Å; W601-I765 HydrophobicContact CZ3-CD1 3.49Å; W601-I765 VanDerWaalsContact CZ3-CD1 3.49Å; W601-I765 HydrophobicContact CZ3-CG1 4.4Å; W601-A939 HydrophobicContact CH2-CB 3.73Å; W601-A939 HydrophobicContact CZ2-CB 3.93Å | ||
| 602 | K | 65.5 | Low | 57.6 | Low | 77 Ų | 77 | 56.3 Ų | 56.3 | 34% | 0.335 | 28% | 0.28 | S | S | . | . | trans | -136.3 | 141.6 | 173.6 | -65 | 170.5 | -175.4 | 163.4 | 0 | 109.2 | ||||
| 603 | P | 68.6 | Low | 59.2 | Low | 10 Ų | 10 | 53 Ų | 53 | 7% | 0.065 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 137.7 | 176.1 | 25.9 | -35.3 | 0 | 0 | 0 | 110.7 | W601 Y758 A761 L762 I765 | W601-P603 HydrophobicContact CH2-CB 4.28Å; P603-Y758 HydrophobicContact CB-CE2 4.41Å; P603-Y758 HydrophobicContact CG-CE2 4.35Å; P603-A761 HydrophobicContact CG-CB 4.32Å; P603-L762 HydrophobicContact CG-CD2 3.88Å; P603-L762 HydrophobicContact CG-CG 4.16Å; P603-I765 HydrophobicContact CG-CD1 4.1Å |
| 604 | K | 69.9 | Low | 60.7 | Low | 107 Ų | 107 | 60.2 Ų | 60.2 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 136.5 | 165.7 | -71.8 | -173.5 | -178.8 | 169.3 | 0 | 108.7 | D550 I552 | D550-K604 PolarHBondContact O-NZ 2.66Å; D550-K604 VanDerWaalsContact O-NZ 3.09Å; I552-K604 HydrophobicContact CD1-CD 3.95Å; I552-K604 HydrophobicContact CD1-CG 4.26Å; I552-K604 HydrophobicContact CG1-CD 3.66Å; I552-K604 HydrophobicContact CG1-CG 4.12Å |
| 605 | P | 77.7 | Confident | 62 | Low | 56 Ų | 56 | 64 Ų | 64 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 141.5 | 179.5 | 30 | -33.5 | 0 | 0 | 0 | 111.5 | S607 Y609 Y758 E820 | P605-S607 WeakPolarHBondContact CB-O 3.36Å; P605-S607 PolarHBondContact O-N 3.05Å; P605-Y609 HydrophobicContact CB-CD2 3.5Å; P605-Y609 VanDerWaalsContact CB-CD2 3.5Å; P605-Y609 HydrophobicContact CB-CE2 3.43Å; P605-Y609 VanDerWaalsContact CB-CE2 3.43Å; P605-Y609 HydrophobicContact CG-CD2 4.31Å; P605-Y758 HydrophobicContact CB-CD1 4.49Å; P605-Y758 HydrophobicContact CB-CD2 3.85Å; P605-Y758 HydrophobicContact CB-CE1 4.24Å; P605-Y758 HydrophobicContact CB-CE2 3.57Å; P605-Y758 HydrophobicContact CB-CG 4.31Å; P605-Y758 HydrophobicContact CG-CE2 4.08Å; P605-E820 WeakPolarHBondContact CA-OE1 3.22Å |
| 606 | L | 81.9 | Confident | 63.6 | Low | 33 Ų | 33 | 63.9 Ų | 63.9 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -77.3 | 2.1 | 173.4 | -67.6 | 170 | 0 | 0 | 0 | 113 | I816 E820 K931 A935 | L606-I816 HydrophobicContact CB-CG2 3.94Å; L606-E820 HydrophobicContact CB-CG 4.48Å; L606-E820 WeakPolarHBondContact CB-OE1 3.38Å; L606-E820 HydrophobicContact CD1-CG 4.2Å; L606-E820 PolarHBondContact N-OE1 3.43Å; L606-K931 HydrophobicContact CD2-CB 4.05Å; L606-A935 HydrophobicContact CD1-CB 4.38Å; L606-A935 HydrophobicContact CD2-CB 3.94Å; L606-A935 HydrophobicContact CG-CB 4.32Å |
| 607 | S | 78.2 | Confident | 65 | Low | 11 Ų | 11 | 57.1 Ų | 57.1 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -144.7 | 148.4 | 175.9 | -76.4 | 0 | 0 | 0 | 0 | 111.6 | P605 Y609 | P605-S607 WeakPolarHBondContact CB-O 3.36Å; P605-S607 PolarHBondContact O-N 3.05Å; S607-Y609 PolarHBondContact O-N 2.95Å |
| 608 | D | 70.5 | Confident | 65.8 | Low | 64 Ų | 64 | 60.1 Ų | 60.1 | 34% | 0.342 | 30% | 0.299 | S | S | . | . | trans | -74.6 | 74 | 176.8 | -175.4 | 0.3 | 0 | 0 | 0 | 111.6 | L610 R611 W612 A889 | D608-L610 PolarHBondContact O-N 2.88Å; D608-L610 PolarHBondContact OD1-N 3.2Å; D608-R611 HydrophobicContact CB-CB 4.21Å; D608-R611 PolarHBondContact O-N 3.48Å; D608-R611 WeakPolarHBondContact OD1-CB 3.21Å; D608-R611 PolarHBondContact OD1-N 3.12Å; D608-R611 WeakPolarHBondContact OD2-CB 3.27Å; D608-W612 PolarHBondContact O-N 3.12Å; D608-A889 HydrophobicContact CB-CB 4.23Å | ||
| 609 | Y | 75.1 | Confident | 66.5 | Low | 10 Ų | 10 | 56.8 Ų | 56.8 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -27.8 | 176.9 | -58.1 | -47.3 | 0 | 0 | 0 | 112.4 | P605 S607 W612 G613 S754 L755 Y758 | P605-Y609 HydrophobicContact CB-CD2 3.5Å; P605-Y609 VanDerWaalsContact CB-CD2 3.5Å; P605-Y609 HydrophobicContact CB-CE2 3.43Å; P605-Y609 VanDerWaalsContact CB-CE2 3.43Å; P605-Y609 HydrophobicContact CG-CD2 4.31Å; S607-Y609 PolarHBondContact O-N 2.95Å; Y609-W612 AromaticContact CD1-CD2 3.98Å; Y609-W612 HydrophobicContact CD1-CD2 3.98Å; Y609-W612 AromaticContact CD1-CE3 3.6Å; Y609-W612 HydrophobicContact CD1-CE3 3.6Å; Y609-W612 AromaticContact CD1-CH2 3.96Å; Y609-W612 HydrophobicContact CD1-CH2 3.96Å; Y609-W612 HydrophobicContact CD1-CZ2 4.31Å; Y609-W612 AromaticContact CD1-CZ3 3.61Å; Y609-W612 HydrophobicContact CD1-CZ3 3.61Å; Y609-W612 HydrophobicContact CE1-CE3 4.03Å; Y609-W612 AromaticContact CE1-CH2 3.61Å; Y609-W612 HydrophobicContact CE1-CH2 3.61Å; Y609-W612 HydrophobicContact CE1-CZ2 4.23Å; Y609-W612 AromaticContact CE1-CZ3 3.51Å; Y609-W612 HydrophobicContact CE1-CZ3 3.51Å; Y609-W612 WeakPolarHBondContact O-CB 3.49Å; Y609-W612 PolarHBondContact O-N 3.08Å; Y609-G613 PolarHBondContact O-N 3.35Å; Y609-S754 WeakPolarHBondContact OH-CB 3.44Å; Y609-S754 PolarHBondContact OH-O 2.88Å; Y609-S754 PolarHBondContact OH-OG 3.13Å; Y609-L755 HydrophobicContact CD1-CD1 3.4Å; Y609-L755 HydrophobicContact CD2-CD1 4.14Å; Y609-L755 HydrophobicContact CE1-CB 4.06Å; Y609-L755 HydrophobicContact CE1-CD1 3.74Å; Y609-L755 HydrophobicContact CE2-CD1 4.45Å; Y609-L755 HydrophobicContact CG-CD1 3.61Å; Y609-L755 PolarHBondContact OH-N 2.93Å; Y609-Y758 AromaticContact CD2-CD1 3.74Å; Y609-Y758 HydrophobicContact CD2-CD1 3.74Å; Y609-Y758 HydrophobicContact CD2-CE1 4.02Å; Y609-Y758 HydrophobicContact CD2-CG 4.22Å; Y609-Y758 AromaticContact CE2-CD1 3.63Å; Y609-Y758 HydrophobicContact CE2-CD1 3.63Å; Y609-Y758 HydrophobicContact CE2-CD2 4.32Å; Y609-Y758 HydrophobicContact CE2-CE1 4.29Å; Y609-Y758 AromaticContact CE2-CG 3.65Å; Y609-Y758 HydrophobicContact CE2-CG 3.65Å |
| 610 | L | 68.8 | Low | 66.7 | Low | 88 Ų | 88 | 62.5 Ų | 62.5 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 174.3 | -68.9 | 175 | 0 | 0 | 0 | 110.7 | I499 D608 W612 G613 R614 | I499-L610 HydrophobicContact CD1-CD1 4.41Å; D608-L610 PolarHBondContact O-N 2.88Å; D608-L610 PolarHBondContact OD1-N 3.2Å; L610-W612 VanDerWaalsContact C-N 3.33Å; L610-W612 PolarHBondContact O-N 2.95Å; L610-G613 PolarHBondContact O-N 3.06Å; L610-R614 PolarHBondContact O-N 2.96Å |
| 611 | R | 67.6 | Low | 66.8 | Low | 88 Ų | 88 | 60.7 Ų | 60.7 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.7 | -32.6 | 173.8 | 179.2 | 175 | 174 | -169.7 | -5.1 | 113.1 | D608 G613 R614 G888 | D608-R611 HydrophobicContact CB-CB 4.21Å; D608-R611 PolarHBondContact O-N 3.48Å; D608-R611 WeakPolarHBondContact OD1-CB 3.21Å; D608-R611 PolarHBondContact OD1-N 3.12Å; D608-R611 WeakPolarHBondContact OD2-CB 3.27Å; R611-G613 PolarHBondContact O-N 2.78Å; R611-R614 PolarHBondContact O-N 3.02Å; R611-R614 VanDerWaalsContact O-N 3.07Å; R611-G888 PolarHBondContact NH1-O 3.32Å |
| 612 | W | 72.5 | Confident | 65.9 | Low | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -27 | 174 | -63.8 | 9.9 | 0 | 0 | 0 | 112.2 | D608 Y609 L610 I691 W692 A695 R751 L755 F886 | D608-W612 PolarHBondContact O-N 3.12Å; Y609-W612 AromaticContact CD1-CD2 3.98Å; Y609-W612 HydrophobicContact CD1-CD2 3.98Å; Y609-W612 AromaticContact CD1-CE3 3.6Å; Y609-W612 HydrophobicContact CD1-CE3 3.6Å; Y609-W612 AromaticContact CD1-CH2 3.96Å; Y609-W612 HydrophobicContact CD1-CH2 3.96Å; Y609-W612 HydrophobicContact CD1-CZ2 4.31Å; Y609-W612 AromaticContact CD1-CZ3 3.61Å; Y609-W612 HydrophobicContact CD1-CZ3 3.61Å; Y609-W612 HydrophobicContact CE1-CE3 4.03Å; Y609-W612 AromaticContact CE1-CH2 3.61Å; Y609-W612 HydrophobicContact CE1-CH2 3.61Å; Y609-W612 HydrophobicContact CE1-CZ2 4.23Å; Y609-W612 AromaticContact CE1-CZ3 3.51Å; Y609-W612 HydrophobicContact CE1-CZ3 3.51Å; Y609-W612 WeakPolarHBondContact O-CB 3.49Å; Y609-W612 PolarHBondContact O-N 3.08Å; L610-W612 VanDerWaalsContact C-N 3.33Å; L610-W612 PolarHBondContact O-N 2.95Å; W612-I691 HydrophobicContact CD2-CG2 4.26Å; W612-I691 HydrophobicContact CE3-CG2 3.42Å; W612-I691 VanDerWaalsContact CE3-CG2 3.42Å; W612-I691 HydrophobicContact CZ3-CG2 3.89Å; W612-W692 VanDerWaalsContact O-CD1 3.28Å; W612-A695 HydrophobicContact CB-CB 4.11Å; W612-R751 HydrophobicContact CH2-CB 3.61Å; W612-R751 HydrophobicContact CH2-CG 3.62Å; W612-R751 HydrophobicContact CZ2-CB 4.49Å; W612-R751 HydrophobicContact CZ2-CG 4.08Å; W612-R751 HydrophobicContact CZ3-CB 3.89Å; W612-R751 HydrophobicContact CZ3-CG 4.36Å; W612-L755 HydrophobicContact CZ3-CB 4.39Å; W612-F886 HydrophobicContact CB-CD1 3.89Å; W612-F886 HydrophobicContact CB-CE1 3.92Å; W612-F886 AromaticContact CD1-CD1 3.65Å; W612-F886 HydrophobicContact CD2-CD1 4.05Å; W612-F886 AromaticContact CG-CD1 3.57Å; W612-F886 HydrophobicContact CG-CD1 3.57Å; W612-F886 HydrophobicContact CG-CE1 4.1Å; W612-F886 HydrophobicContact CG-CG 4.46Å |
| 613 | G | 67.6 | Low | 65.2 | Low | 4 Ų | 4 | 65.9 Ų | 65.9 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -7.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y609 L610 R611 | Y609-G613 PolarHBondContact O-N 3.35Å; L610-G613 PolarHBondContact O-N 3.06Å; R611-G613 PolarHBondContact O-N 2.78Å |
| 614 | R | 68 | Low | 64.4 | Low | 177 Ų | 177 | 66.1 Ų | 66.1 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -36.6 | -176.6 | -75.8 | -178.8 | -172.3 | -171.8 | 1.8 | 114.1 | L610 R611 | L610-R614 PolarHBondContact O-N 2.96Å; R611-R614 PolarHBondContact O-N 3.02Å; R611-R614 VanDerWaalsContact O-N 3.07Å |
| 615 | V | 63 | Low | 63.4 | Low | 103 Ų | 103 | 64.5 Ų | 64.5 | 62% | 0.624 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -117.2 | 118.7 | -174.9 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | W692 | V615-W692 VanDerWaalsContact O-CD1 3.25Š|
| 616 | M | 66.7 | Low | 61.8 | Low | 69 Ų | 69 | 72.5 Ų | 72.5 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | trans | -68.4 | 133.1 | 174.2 | -165.6 | -177.8 | 89.1 | 0 | 0 | 109.6 | W692 | M616-W692 HydrophobicContact CB-CZ2 3.87Å; M616-W692 HydrophobicContact CG-CD2 4.15Å; M616-W692 HydrophobicContact CG-CE3 4.33Å; M616-W692 HydrophobicContact CG-CH2 3.86Å; M616-W692 HydrophobicContact CG-CZ2 3.69Å; M616-W692 HydrophobicContact CG-CZ3 4.2Å; M616-W692 HydrophobicContact SD-CH2 3.96Å; M616-W692 HydrophobicContact SD-CZ2 4.23Å; M616-W692 HydrophobicContact SD-CZ3 4.46Å | ||
| 617 | P | 65.3 | Low | 60.2 | Low | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.039 | 37% | 0.373 | C | S | . | . | trans | -59.7 | 140.7 | 172.9 | -20.7 | 31.5 | 0 | 0 | 0 | 110.7 | T619 A688 W692 I882 F886 | P617-T619 HydrophobicContact CB-CG2 4.21Å; P617-T619 PolarHBondContact O-N 2.85Å; P617-A688 HydrophobicContact CB-CB 3.96Å; P617-A688 HydrophobicContact CG-CB 3.89Å; P617-W692 HydrophobicContact CG-CB 4.02Å; P617-W692 HydrophobicContact CG-CG 4.47Å; P617-I882 HydrophobicContact CB-CD1 3.66Å; P617-I882 HydrophobicContact CB-CG1 4Å; P617-F886 HydrophobicContact CG-CZ 4.24Å | ||
| 618 | P | 55.4 | Low | 59 | Low | 106 Ų | 106 | 78.8 Ų | 78.8 | 69% | 0.688 | 38% | 0.383 | S | S | * | . | trans | -70.5 | 70.9 | 179.4 | 28.5 | -37.2 | 0 | 0 | 0 | 112.9 | K620 I882 | P618-K620 PolarHBondContact O-N 3.17Å; P618-I882 HydrophobicContact CG-CD1 3.98Å; P618-I882 HydrophobicContact CG-CG1 4.13Å | ||
| 619 | T | 55 | Low | 58.2 | Low | 10 Ų | 10 | 79.7 Ų | 79.7 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | trans | -83.8 | 97.7 | -177.3 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | P617 I621 N685 Y689 | P617-T619 HydrophobicContact CB-CG2 4.21Å; P617-T619 PolarHBondContact O-N 2.85Å; T619-I621 HydrophobicContact CG2-CD1 4.05Å; T619-I621 PolarHBondContact O-N 3.02Å; T619-N685 HydrophobicContact CG2-CB 4.23Å; T619-Y689 HydrophobicContact CG2-CD2 4.45Å | ||
| 620 | K | 50.6 | Low | 57.2 | Low | 203 Ų | 203 | 82.5 Ų | 82.5 | 88% | 0.883 | 41% | 0.408 | S | S | * | . | trans | -70.5 | 55.5 | 156 | -70.4 | -168.7 | 174.8 | -171.4 | 0 | 111 | P618 | P618-K620 PolarHBondContact O-N 3.17Š| ||
| 621 | I | 54.4 | Low | 56.4 | Low | 9 Ų | 9 | 84.2 Ų | 84.2 | 5% | 0.046 | 42% | 0.416 | C | S | . | . | trans | -98.3 | 87.1 | 170.7 | -60.2 | 171.7 | 0 | 0 | 0 | 106.7 | T619 G623 L624 T625 Y682 N685 | T619-I621 HydrophobicContact CG2-CD1 4.05Å; T619-I621 PolarHBondContact O-N 3.02Å; I621-G623 PolarHBondContact O-N 3.47Å; I621-G623 VanDerWaalsContact O-N 3.16Å; I621-L624 HydrophobicContact CB-CD1 4.49Å; I621-L624 HydrophobicContact CD1-CD1 4.23Å; I621-L624 HydrophobicContact CG2-CB 4.18Å; I621-L624 HydrophobicContact CG2-CD1 3.88Å; I621-L624 HydrophobicContact CG2-CG 3.98Å; I621-L624 PolarHBondContact O-N 2.99Å; I621-T625 PolarHBondContact O-OG1 2.85Å; I621-Y682 HydrophobicContact CG1-CD2 4.47Å; I621-Y682 HydrophobicContact CG1-CE2 4.34Å; I621-Y682 HydrophobicContact CG2-CE2 3.93Å; I621-N685 HydrophobicContact CD1-CB 4.01Å; I621-N685 HydrophobicContact CG1-CB 4.42Å | ||
| 622 | E | 42.4 | Very low | 56 | Low | 186 Ų | 186 | 81.5 Ų | 81.5 | 87% | 0.869 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 118.4 | 173.7 | -64.8 | -179.4 | 117.3 | 0 | 0 | 109.2 | ||
| 623 | G | 49.7 | Very low | 55.4 | Low | 39 Ų | 39 | 81.8 Ų | 81.8 | 40% | 0.402 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 124.6 | -77 | -165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I621 T625 R626 | I621-G623 PolarHBondContact O-N 3.47Å; I621-G623 VanDerWaalsContact O-N 3.16Å; G623-T625 VanDerWaalsContact C-N 3.32Å; G623-T625 PolarHBondContact O-N 3.02Å; G623-R626 WeakPolarHBondContact O-CB 3.27Å; G623-R626 PolarHBondContact O-N 3.3Å |
| 624 | L | 52.4 | Low | 55 | Low | 16 Ų | 16 | 84.9 Ų | 84.9 | 8% | 0.084 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.7 | -37.1 | -174.4 | -69.5 | 177.4 | 0 | 0 | 0 | 113.2 | I621 R626 L627 L651 L686 Y689 | I621-L624 HydrophobicContact CB-CD1 4.49Å; I621-L624 HydrophobicContact CD1-CD1 4.23Å; I621-L624 HydrophobicContact CG2-CB 4.18Å; I621-L624 HydrophobicContact CG2-CD1 3.88Å; I621-L624 HydrophobicContact CG2-CG 3.98Å; I621-L624 PolarHBondContact O-N 2.99Å; L624-R626 PolarHBondContact O-N 3.36Å; L624-L627 PolarHBondContact O-N 3.03Å; L624-L651 HydrophobicContact CD2-CD1 4.32Å; L624-L686 HydrophobicContact CD1-CD1 4.47Å; L624-Y689 HydrophobicContact CD1-CD1 4.5Å |
| 625 | T | 48.7 | Very low | 54.7 | Low | 73 Ų | 73 | 82 Ų | 82 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.6 | -6 | 176.6 | 46.6 | 0 | 0 | 0 | 0 | 114.6 | I621 G623 | I621-T625 PolarHBondContact O-OG1 2.85Å; G623-T625 VanDerWaalsContact C-N 3.32Å; G623-T625 PolarHBondContact O-N 3.02Å |
| 626 | R | 43.3 | Very low | 54.9 | Low | 223 Ų | 223 | 78.6 Ų | 78.6 | 84% | 0.842 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -91.3 | -15.1 | 171 | -74.4 | -172.3 | 176.7 | 173.7 | 0.2 | 113.5 | G623 L624 | G623-R626 WeakPolarHBondContact O-CB 3.27Å; G623-R626 PolarHBondContact O-N 3.3Å; L624-R626 PolarHBondContact O-N 3.36Å |
| 627 | L | 49.1 | Very low | 54.9 | Low | 103 Ų | 103 | 77.9 Ų | 77.9 | 54% | 0.539 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -86 | -46.8 | -178.3 | -70.9 | 166.9 | 0 | 0 | 0 | 111.8 | L624 | L624-L627 PolarHBondContact O-N 3.03Å |
| 628 | Y | 51.8 | Low | 54.9 | Low | 73 Ų | 73 | 79.3 Ų | 79.3 | 29% | 0.286 | 42% | 0.417 | S | S | . | . | trans | -140.4 | 133.1 | 180 | -68.3 | -67.1 | 0 | 0 | 0 | 114.6 | I636 | Y628-I636 HydrophobicContact CD1-CD1 3.27Å; Y628-I636 HydrophobicContact CD1-CG1 3.9Å; Y628-I636 HydrophobicContact CD2-CD1 4.04Å; Y628-I636 HydrophobicContact CE1-CD1 3.37Å; Y628-I636 HydrophobicContact CE1-CG1 3.57Å; Y628-I636 HydrophobicContact CE2-CD1 4.12Å; Y628-I636 HydrophobicContact CG-CD1 3.62Å | ||
| 629 | N | 55.1 | Low | 55.5 | Low | 84 Ų | 84 | 79.7 Ų | 79.7 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | trans | -81.1 | 144.9 | 168.1 | 177.4 | -29.2 | 0 | 0 | 0 | 109.2 | I631 S632 L633 | N629-I631 PolarHBondContact O-N 3.36Å; N629-I631 VanDerWaalsContact O-N 3.07Å; N629-I631 WeakPolarHBondContact OD1-CB 3.41Å; N629-I631 WeakPolarHBondContact OD1-CG1 3.23Å; N629-I631 PolarHBondContact OD1-N 2.99Å; N629-S632 PolarHBondContact N-OG 2.79Å; N629-S632 PolarHBondContact O-N 3.06Å; N629-S632 PolarHBondContact O-OG 3.45Å; N629-L633 PolarHBondContact O-N 2.94Å | ||
| 630 | P | 53.7 | Low | 56.2 | Low | 68 Ų | 68 | 83 Ų | 83 | 44% | 0.442 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -22.5 | 172.4 | 20.6 | -34 | 0 | 0 | 0 | 115.1 | ||
| 631 | I | 52.7 | Low | 57.3 | Low | 125 Ų | 125 | 74 Ų | 74 | 64% | 0.641 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -50.1 | 171.3 | -61.1 | 170.9 | 0 | 0 | 0 | 110.5 | N629 L633 N634 | N629-I631 PolarHBondContact O-N 3.36Å; N629-I631 VanDerWaalsContact O-N 3.07Å; N629-I631 WeakPolarHBondContact OD1-CB 3.41Å; N629-I631 WeakPolarHBondContact OD1-CG1 3.23Å; N629-I631 PolarHBondContact OD1-N 2.99Å; I631-L633 VanDerWaalsContact C-N 3.26Å; I631-L633 PolarHBondContact O-N 3.23Å; I631-N634 WeakPolarHBondContact O-CB 3.47Å; I631-N634 PolarHBondContact O-N 3.48Å; I631-N634 VanDerWaalsContact O-N 3.14Å |
| 632 | S | 58.5 | Low | 58.1 | Low | 31 Ų | 31 | 75.2 Ų | 75.2 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -64.6 | -23.6 | 179.8 | 40.3 | 0 | 0 | 0 | 0 | 114 | N629 N634 T635 I636 | N629-S632 PolarHBondContact N-OG 2.79Å; N629-S632 PolarHBondContact O-N 3.06Å; N629-S632 PolarHBondContact O-OG 3.45Å; S632-N634 PolarHBondContact O-N 3.38Å; S632-T635 PolarHBondContact O-N 2.96Å; S632-T635 PolarHBondContact O-OG1 3.1Å; S632-I636 VanDerWaalsContact O-CG1 3.28Å; S632-I636 WeakPolarHBondContact O-CG1 3.41Å; S632-I636 PolarHBondContact O-N 3.33Å; S632-I636 VanDerWaalsContact O-N 3.15Å |
| 633 | L | 59.5 | Low | 59.5 | Low | 10 Ų | 10 | 72.3 Ų | 72.3 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -59.6 | -15.8 | 172.7 | -86.4 | 164.2 | 0 | 0 | 0 | 114.1 | N629 I631 I636 L641 W692 L693 I700 | N629-L633 PolarHBondContact O-N 2.94Å; I631-L633 VanDerWaalsContact C-N 3.26Å; I631-L633 PolarHBondContact O-N 3.23Å; L633-I636 HydrophobicContact CD2-CD1 4.02Å; L633-I636 HydrophobicContact CG-CD1 4.3Å; L633-L641 HydrophobicContact CD2-CD1 4.22Å; L633-W692 HydrophobicContact CD1-CH2 3.36Å; L633-W692 HydrophobicContact CD1-CZ2 4.31Å; L633-W692 HydrophobicContact CD1-CZ3 3.86Å; L633-L693 HydrophobicContact CD2-CD1 4.32Å; L633-I700 WeakPolarHBondContact O-CD1 3.45Å |
| 634 | N | 60.1 | Low | 60.6 | Low | 69 Ų | 69 | 71 Ų | 71 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -88 | -6.4 | 172.8 | -73.9 | -27.7 | 0 | 0 | 0 | 114.2 | I631 S632 K704 | I631-N634 WeakPolarHBondContact O-CB 3.47Å; I631-N634 PolarHBondContact O-N 3.48Å; I631-N634 VanDerWaalsContact O-N 3.14Å; S632-N634 PolarHBondContact O-N 3.38Å; N634-K704 PolarHBondContact O-NZ 3.36Å |
| 635 | T | 61.8 | Low | 61.6 | Low | 115 Ų | 115 | 70.2 Ų | 70.2 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | -11.1 | -173.4 | 62 | 0 | 0 | 0 | 0 | 114.5 | S632 | S632-T635 PolarHBondContact O-N 2.96Å; S632-T635 PolarHBondContact O-OG1 3.1Å |
| 636 | I | 66.1 | Low | 62.8 | Low | 33 Ų | 33 | 68.9 Ų | 68.9 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -65.2 | 145.9 | 174.9 | -68 | 162.3 | 0 | 0 | 0 | 110.9 | Y628 S632 L633 E640 L641 | Y628-I636 HydrophobicContact CD1-CD1 3.27Å; Y628-I636 HydrophobicContact CD1-CG1 3.9Å; Y628-I636 HydrophobicContact CD2-CD1 4.04Å; Y628-I636 HydrophobicContact CE1-CD1 3.37Å; Y628-I636 HydrophobicContact CE1-CG1 3.57Å; Y628-I636 HydrophobicContact CE2-CD1 4.12Å; Y628-I636 HydrophobicContact CG-CD1 3.62Å; S632-I636 VanDerWaalsContact O-CG1 3.28Å; S632-I636 WeakPolarHBondContact O-CG1 3.41Å; S632-I636 PolarHBondContact O-N 3.33Å; S632-I636 VanDerWaalsContact O-N 3.15Å; L633-I636 HydrophobicContact CD2-CD1 4.02Å; L633-I636 HydrophobicContact CG-CD1 4.3Å; I636-E640 HydrophobicContact CG2-CB 3.41Å; I636-E640 VanDerWaalsContact CG2-CB 3.41Å; I636-E640 HydrophobicContact CG2-CG 4.43Å; I636-L641 HydrophobicContact CG2-CB 4.27Å |
| 637 | S | 66.7 | Low | 64.3 | Low | 53 Ų | 53 | 63.3 Ų | 63.3 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | trans | -71.2 | 164 | 175.8 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | E639 E640 L641 | S637-E639 VanDerWaalsContact C-N 3.27Å; S637-E639 PolarHBondContact O-N 3.4Å; S637-E640 WeakPolarHBondContact CB-OE2 3.35Å; S637-E640 PolarHBondContact N-OE2 3.27Å; S637-E640 WeakPolarHBondContact OG-CB 3.35Å; S637-E640 VanDerWaalsContact OG-CD 3.32Å; S637-E640 VanDerWaalsContact OG-CG 3.28Å; S637-E640 WeakPolarHBondContact OG-CG 3.16Å; S637-E640 PolarHBondContact OG-N 3.08Å; S637-E640 PolarHBondContact OG-OE2 3.17Å; S637-L641 WeakPolarHBondContact O-CB 3.29Å; S637-L641 PolarHBondContact O-N 3.36Å; S637-L641 VanDerWaalsContact O-N 3.1Å | ||
| 638 | L | 66.8 | Low | 65.4 | Low | 37 Ų | 37 | 58.4 Ų | 58.4 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 179.3 | -162.2 | 76.2 | 0 | 0 | 0 | 111.8 | L641 E642 R715 T719 | L638-L641 PolarHBondContact O-N 3.18Å; L638-E642 WeakPolarHBondContact O-CG 3.25Å; L638-E642 PolarHBondContact O-N 3.29Å; L638-R715 HydrophobicContact CD2-CB 4.47Å; L638-R715 HydrophobicContact CD2-CG 4.2Å; L638-T719 HydrophobicContact CD1-CG2 3.46Å; L638-T719 VanDerWaalsContact CD1-CG2 3.46Å; L638-T719 HydrophobicContact CG-CG2 3.96Å |
| 639 | E | 67.2 | Low | 66.5 | Low | 113 Ų | 113 | 55 Ų | 55 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.6 | -41.5 | -174.6 | -57.6 | -171.6 | 158.8 | 0 | 0 | 111.9 | S637 L641 E642 Q643 R715 | S637-E639 VanDerWaalsContact C-N 3.27Å; S637-E639 PolarHBondContact O-N 3.4Å; E639-L641 VanDerWaalsContact C-N 3.3Å; E639-L641 PolarHBondContact O-N 2.96Å; E639-E642 PolarHBondContact O-N 3.45Å; E639-Q643 WeakPolarHBondContact O-CB 3.4Å; E639-Q643 VanDerWaalsContact O-CG 3.3Å; E639-Q643 WeakPolarHBondContact O-CG 3.41Å; E639-Q643 PolarHBondContact O-N 3.28Å; E639-R715 IonicContact OE1-NH1 3.24Å |
| 640 | E | 70.5 | Confident | 67.4 | Low | 81 Ų | 81 | 54.7 Ų | 54.7 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 170.2 | -71.3 | 166.8 | 116.9 | 0 | 0 | 111.9 | I636 S637 Q643 H644 | I636-E640 HydrophobicContact CG2-CB 3.41Å; I636-E640 VanDerWaalsContact CG2-CB 3.41Å; I636-E640 HydrophobicContact CG2-CG 4.43Å; S637-E640 WeakPolarHBondContact CB-OE2 3.35Å; S637-E640 PolarHBondContact N-OE2 3.27Å; S637-E640 WeakPolarHBondContact OG-CB 3.35Å; S637-E640 VanDerWaalsContact OG-CD 3.32Å; S637-E640 VanDerWaalsContact OG-CG 3.28Å; S637-E640 WeakPolarHBondContact OG-CG 3.16Å; S637-E640 PolarHBondContact OG-N 3.08Å; S637-E640 PolarHBondContact OG-OE2 3.17Å; E640-Q643 PolarHBondContact O-N 2.97Å; E640-H644 WeakPolarHBondContact O-CB 3.43Å; E640-H644 PolarHBondContact O-N 3.38Å |
| 641 | L | 72.6 | Confident | 68.2 | Low | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.4 | -179.4 | 61.2 | 0 | 0 | 0 | 111.8 | L633 I636 S637 L638 E639 H644 I645 L693 T719 | L633-L641 HydrophobicContact CD2-CD1 4.22Å; I636-L641 HydrophobicContact CG2-CB 4.27Å; S637-L641 WeakPolarHBondContact O-CB 3.29Å; S637-L641 PolarHBondContact O-N 3.36Å; S637-L641 VanDerWaalsContact O-N 3.1Å; L638-L641 PolarHBondContact O-N 3.18Å; E639-L641 VanDerWaalsContact C-N 3.3Å; E639-L641 PolarHBondContact O-N 2.96Å; L641-H644 PolarHBondContact O-N 2.9Å; L641-I645 HydrophobicContact CD1-CD1 4.35Å; L641-I645 HydrophobicContact CG-CD1 4.22Å; L641-I645 VanDerWaalsContact O-CG1 3.25Å; L641-I645 WeakPolarHBondContact O-CG1 3.5Å; L641-I645 PolarHBondContact O-N 2.96Å; L641-L693 HydrophobicContact CD1-CD1 4.31Å; L641-T719 HydrophobicContact CD2-CG2 4.35Å |
| 642 | E | 70.4 | Confident | 69.1 | Low | 35 Ų | 35 | 48 Ų | 48 | 16% | 0.164 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 173 | -72.6 | -163.8 | 132.2 | 0 | 0 | 111.8 | L638 E639 I645 C646 T719 | L638-E642 WeakPolarHBondContact O-CG 3.25Å; L638-E642 PolarHBondContact O-N 3.29Å; E639-E642 PolarHBondContact O-N 3.45Å; E642-I645 PolarHBondContact O-N 3.25Å; E642-C646 PolarHBondContact O-N 3.02Å; E642-C646 PolarHBondContact O-SG 3.48Å; E642-T719 HydrophobicContact CG-CG2 3.73Å; E642-T719 WeakPolarHBondContact OE1-CA 3.43Å |
| 643 | Q | 73.1 | Confident | 69.6 | Low | 124 Ų | 124 | 49.9 Ų | 49.9 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 173.4 | -73 | 175.5 | 21.5 | 0 | 0 | 111.9 | E639 E640 I645 C646 E647 | E639-Q643 WeakPolarHBondContact O-CB 3.4Å; E639-Q643 VanDerWaalsContact O-CG 3.3Å; E639-Q643 WeakPolarHBondContact O-CG 3.41Å; E639-Q643 PolarHBondContact O-N 3.28Å; E640-Q643 PolarHBondContact O-N 2.97Å; Q643-I645 VanDerWaalsContact C-N 3.35Å; Q643-I645 PolarHBondContact O-N 3.46Å; Q643-C646 CarbonylContact O-C 3.57Å; Q643-C646 WeakPolarHBondContact O-CA 3.5Å; Q643-C646 VanDerWaalsContact O-CB 3.28Å; Q643-C646 WeakPolarHBondContact O-CB 3.36Å; Q643-C646 PolarHBondContact O-N 3.43Å; Q643-C646 VanDerWaalsContact O-N 3.07Å; Q643-E647 PolarHBondContact O-N 3.36Å |
| 644 | H | 72.2 | Confident | 69.8 | Low | 11 Ų | 11 | 54.1 Ų | 54.1 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.8 | -174.5 | 60 | 0 | 0 | 0 | 112.3 | E640 L641 E647 V648 Y689 | E640-H644 WeakPolarHBondContact O-CB 3.43Å; E640-H644 PolarHBondContact O-N 3.38Å; L641-H644 PolarHBondContact O-N 2.9Å; H644-E647 PolarHBondContact O-N 2.9Å; H644-V648 VanDerWaalsContact O-CG2 3.26Å; H644-V648 WeakPolarHBondContact O-CG2 3.44Å; H644-V648 PolarHBondContact O-N 2.96Å; H644-Y689 AromaticContact NE2-CE1 3.84Å; H644-Y689 AromaticContact NE2-CZ 3.84Å; H644-Y689 PolarHBondContact NE2-OH 2.9Å |
| 645 | I | 74.2 | Confident | 69.5 | Low | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 172.3 | -65.1 | 165.1 | 0 | 0 | 0 | 110.5 | L641 E642 Q643 V648 V649 L693 M694 L723 | L641-I645 HydrophobicContact CD1-CD1 4.35Å; L641-I645 HydrophobicContact CG-CD1 4.22Å; L641-I645 VanDerWaalsContact O-CG1 3.25Å; L641-I645 WeakPolarHBondContact O-CG1 3.5Å; L641-I645 PolarHBondContact O-N 2.96Å; E642-I645 PolarHBondContact O-N 3.25Å; Q643-I645 VanDerWaalsContact C-N 3.35Å; Q643-I645 PolarHBondContact O-N 3.46Å; I645-V648 PolarHBondContact O-N 3.01Å; I645-V649 HydrophobicContact CG2-CG2 4.36Å; I645-V649 WeakPolarHBondContact O-CB 3.33Å; I645-V649 VanDerWaalsContact O-CG2 3.29Å; I645-V649 WeakPolarHBondContact O-CG2 3.4Å; I645-V649 PolarHBondContact O-N 3.49Å; I645-L693 HydrophobicContact CG1-CD2 3.8Å; I645-L693 HydrophobicContact CG1-CG 4.08Å; I645-M694 HydrophobicContact CD1-SD 4.47Å; I645-M694 HydrophobicContact CG2-SD 3.99Å; I645-L723 HydrophobicContact CG2-CD1 3.79Å |
| 646 | C | 73.9 | Confident | 69 | Low | 45 Ų | 45 | 52 Ų | 52 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 173.6 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | E642 Q643 V649 N650 | E642-C646 PolarHBondContact O-N 3.02Å; E642-C646 PolarHBondContact O-SG 3.48Å; Q643-C646 CarbonylContact O-C 3.57Å; Q643-C646 WeakPolarHBondContact O-CA 3.5Å; Q643-C646 VanDerWaalsContact O-CB 3.28Å; Q643-C646 WeakPolarHBondContact O-CB 3.36Å; Q643-C646 PolarHBondContact O-N 3.43Å; Q643-C646 VanDerWaalsContact O-N 3.07Å; C646-V649 PolarHBondContact O-N 3.19Å; C646-N650 VanDerWaalsContact O-CB 3.28Å; C646-N650 WeakPolarHBondContact O-CB 3.47Å; C646-N650 PolarHBondContact O-N 3.24Å; C646-N650 PolarHBondContact O-ND2 3.33Å |
| 647 | E | 73.6 | Confident | 68.1 | Low | 106 Ų | 106 | 58.6 Ų | 58.6 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 178 | -72.7 | -165.1 | 175 | 0 | 0 | 112.2 | Q643 H644 V649 N650 L651 | Q643-E647 PolarHBondContact O-N 3.36Å; H644-E647 PolarHBondContact O-N 2.9Å; E647-V649 VanDerWaalsContact C-N 3.33Å; E647-V649 PolarHBondContact O-N 2.88Å; E647-N650 CarbonylContact O-C 3.6Å; E647-N650 PolarHBondContact O-N 2.79Å; E647-N650 VanDerWaalsContact O-N 3.14Å; E647-L651 WeakPolarHBondContact O-CG 3.36Å; E647-L651 PolarHBondContact O-N 3.4Å |
| 648 | V | 73.8 | Confident | 66.6 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 179.1 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | H644 I645 F652 L686 Y689 L690 L693 | H644-V648 VanDerWaalsContact O-CG2 3.26Å; H644-V648 WeakPolarHBondContact O-CG2 3.44Å; H644-V648 PolarHBondContact O-N 2.96Å; I645-V648 PolarHBondContact O-N 3.01Å; V648-F652 WeakPolarHBondContact O-CB 3.23Å; V648-F652 PolarHBondContact O-N 2.99Å; V648-F652 VanDerWaalsContact O-N 3.09Å; V648-L686 HydrophobicContact CG1-CD1 4.18Å; V648-Y689 HydrophobicContact CG1-CD1 4.08Å; V648-Y689 HydrophobicContact CG1-CE1 4.48Å; V648-Y689 HydrophobicContact CG2-CD1 4.25Å; V648-Y689 HydrophobicContact CG2-CE1 3.85Å; V648-L690 HydrophobicContact CG1-CB 4.15Å; V648-L690 HydrophobicContact CG1-CD1 4.03Å; V648-L693 HydrophobicContact CB-CD2 4.48Å; V648-L693 HydrophobicContact CG2-CD2 4.16Å |
| 649 | V | 73.9 | Confident | 65.1 | Low | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 173.1 | 166.2 | 0 | 0 | 0 | 0 | 111.3 | I645 C646 E647 F652 R653 L690 L723 L727 | I645-V649 HydrophobicContact CG2-CG2 4.36Å; I645-V649 WeakPolarHBondContact O-CB 3.33Å; I645-V649 VanDerWaalsContact O-CG2 3.29Å; I645-V649 WeakPolarHBondContact O-CG2 3.4Å; I645-V649 PolarHBondContact O-N 3.49Å; C646-V649 PolarHBondContact O-N 3.19Å; E647-V649 VanDerWaalsContact C-N 3.33Å; E647-V649 PolarHBondContact O-N 2.88Å; V649-F652 WeakPolarHBondContact O-CB 3.46Å; V649-F652 PolarHBondContact O-N 3.36Å; V649-R653 HydrophobicContact CG1-CG 4.45Å; V649-R653 WeakPolarHBondContact O-CG 3.23Å; V649-R653 PolarHBondContact O-N 3.46Å; V649-L690 HydrophobicContact CG2-CD1 3.98Å; V649-L723 HydrophobicContact CG2-CD1 4.32Å; V649-L727 HydrophobicContact CG2-CD2 4.38Å |
| 650 | N | 73.2 | Confident | 63.6 | Low | 77 Ų | 77 | 64.2 Ų | 64.2 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.4 | -37.8 | 177.2 | -75.6 | -27.4 | 0 | 0 | 0 | 112.4 | C646 E647 F652 R653 T654 | C646-N650 VanDerWaalsContact O-CB 3.28Å; C646-N650 WeakPolarHBondContact O-CB 3.47Å; C646-N650 PolarHBondContact O-N 3.24Å; C646-N650 PolarHBondContact O-ND2 3.33Å; E647-N650 CarbonylContact O-C 3.6Å; E647-N650 PolarHBondContact O-N 2.79Å; E647-N650 VanDerWaalsContact O-N 3.14Å; N650-F652 VanDerWaalsContact C-N 3.26Å; N650-F652 PolarHBondContact O-N 3.12Å; N650-R653 PolarHBondContact O-N 3.34Å; N650-T654 WeakPolarHBondContact O-CB 3.28Å; N650-T654 VanDerWaalsContact O-CG2 3.27Å; N650-T654 WeakPolarHBondContact O-CG2 3.46Å; N650-T654 PolarHBondContact O-N 3.34Å; N650-T654 PolarHBondContact O-OG1 2.89Å |
| 651 | L | 71.8 | Confident | 61.8 | Low | 49 Ų | 49 | 67.5 Ų | 67.5 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 169.7 | -73.2 | 170.2 | 0 | 0 | 0 | 111.8 | L624 E647 L686 | L624-L651 HydrophobicContact CD2-CD1 4.32Å; E647-L651 WeakPolarHBondContact O-CG 3.36Å; E647-L651 PolarHBondContact O-N 3.4Å; L651-L686 HydrophobicContact CB-CD2 4.41Å |
| 652 | F | 71.8 | Confident | 60.2 | Low | 5 Ų | 5 | 70 Ų | 70 | 2% | 0.022 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.1 | -39.2 | 175.6 | -178.6 | -94.9 | 0 | 0 | 0 | 113 | V648 V649 N650 L686 L687 L690 L727 E730 L749 | V648-F652 WeakPolarHBondContact O-CB 3.23Å; V648-F652 PolarHBondContact O-N 2.99Å; V648-F652 VanDerWaalsContact O-N 3.09Å; V649-F652 WeakPolarHBondContact O-CB 3.46Å; V649-F652 PolarHBondContact O-N 3.36Å; N650-F652 VanDerWaalsContact C-N 3.26Å; N650-F652 PolarHBondContact O-N 3.12Å; F652-L686 HydrophobicContact CB-CD2 4.22Å; F652-L686 HydrophobicContact CD2-CD2 4.46Å; F652-L687 HydrophobicContact CE2-CD1 4.19Å; F652-L690 HydrophobicContact CG-CD2 4.5Å; F652-L727 HydrophobicContact CD1-CD1 4.42Å; F652-L727 HydrophobicContact CE1-CD1 4.46Å; F652-E730 HydrophobicContact CE1-CG 4.2Å; F652-L749 HydrophobicContact CE2-CD2 4.3Å; F652-L749 HydrophobicContact CZ-CD2 3.67Å |
| 653 | R | 69.2 | Low | 58.4 | Low | 69 Ų | 69 | 71 Ų | 71 | 26% | 0.26 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.3 | -50.8 | 175.3 | -68.5 | 177.4 | -161.7 | -152.9 | 10.2 | 112.5 | V649 N650 S656 D726 | V649-R653 HydrophobicContact CG1-CG 4.45Å; V649-R653 WeakPolarHBondContact O-CG 3.23Å; V649-R653 PolarHBondContact O-N 3.46Å; N650-R653 PolarHBondContact O-N 3.34Å; R653-S656 VanDerWaalsContact O-CB 3.27Å; R653-S656 WeakPolarHBondContact O-CB 3.24Å; R653-S656 PolarHBondContact O-N 2.95Å; R653-S656 PolarHBondContact O-OG 2.71Å; R653-D726 IonicContact CZ-OD2 2.68Å; R653-D726 IonicContact NH1-OD2 3.65Å; R653-D726 PolarHBondContact NH1-OD2 3.36Å; R653-D726 IonicContact NH2-OD2 3.69Å; R653-D726 PolarHBondContact NH2-OD2 3.02Å |
| 654 | T | 61.8 | Low | 56.6 | Low | 100 Ų | 100 | 69.3 Ų | 69.3 | 61% | 0.613 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.1 | -40.5 | -169.3 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | N650 S656 | N650-T654 WeakPolarHBondContact O-CB 3.28Å; N650-T654 VanDerWaalsContact O-CG2 3.27Å; N650-T654 WeakPolarHBondContact O-CG2 3.46Å; N650-T654 PolarHBondContact O-N 3.34Å; N650-T654 PolarHBondContact O-OG1 2.89Å; T654-S656 PolarHBondContact O-N 2.93Å; T654-S656 VanDerWaalsContact O-N 3.08Å |
| 655 | R | 55.8 | Low | 54.8 | Low | 112 Ų | 112 | 72.4 Ų | 72.4 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 29.6 | -179.9 | -65.5 | -174.8 | 170.9 | -163.1 | -4.2 | 113.8 | F657 Y682 R683 | R655-F657 PolarHBondContact O-N 3.43Å; R655-Y682 VanDerWaalsContact NH1-CZ 3.27Å; R655-Y682 PolarHBondContact NH1-OH 3.21Å; R655-R683 PolarHBondContact O-NH1 3.49Å; R655-R683 VanDerWaalsContact O-NH1 3.1Å |
| 656 | S | 50.6 | Low | 52.8 | Low | 28 Ų | 28 | 82.4 Ų | 82.4 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -69.3 | -31.5 | -170.9 | 39.2 | 0 | 0 | 0 | 0 | 113.8 | R653 T654 R683 | R653-S656 VanDerWaalsContact O-CB 3.27Å; R653-S656 WeakPolarHBondContact O-CB 3.24Å; R653-S656 PolarHBondContact O-N 2.95Å; R653-S656 PolarHBondContact O-OG 2.71Å; T654-S656 PolarHBondContact O-N 2.93Å; T654-S656 VanDerWaalsContact O-N 3.08Å; S656-R683 PolarHBondContact O-NH1 2.72Å; S656-R683 PolarHBondContact O-NH2 3.32Å |
| 657 | F | 46.2 | Very low | 51 | Low | 170 Ų | 170 | 85 Ų | 85 | 75% | 0.746 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -135.7 | 4 | -167.2 | -95.3 | -84.4 | 0 | 0 | 0 | 119 | R655 T659 | R655-F657 PolarHBondContact O-N 3.43Å; F657-T659 PolarHBondContact O-N 2.91Å |
| 658 | E | 35.1 | Very low | 49.2 | Very low | 117 Ų | 117 | 84.6 Ų | 84.6 | 55% | 0.547 | 44% | 0.442 | S | S | . | . | trans | -65.6 | 126.9 | -179.1 | -70.4 | -166.1 | 115.1 | 0 | 0 | 113.2 | ||||
| 659 | T | 36.9 | Very low | 47.4 | Very low | 92 Ų | 92 | 90.4 Ų | 90.4 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | trans | -74.1 | 155.2 | 174.7 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | F657 E661 T662 | F657-T659 PolarHBondContact O-N 2.91Å; T659-E661 PolarHBondContact O-N 2.82Å; T659-T662 PolarHBondContact O-OG1 3.49Å | ||
| 660 | T | 35.1 | Very low | 45.5 | Very low | 112 Ų | 112 | 96.4 Ų | 96.4 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -2.5 | -170.2 | 41.3 | 0 | 0 | 0 | 0 | 116.4 | ||
| 661 | E | 33.6 | Very low | 43.2 | Very low | 150 Ų | 150 | 104 Ų | 104 | 70% | 0.701 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -38.8 | -173.3 | -62.2 | -179.1 | 142.6 | 0 | 0 | 112.3 | T659 L663 S664 | T659-E661 PolarHBondContact O-N 2.82Å; E661-L663 VanDerWaalsContact C-N 3.34Å; E661-L663 PolarHBondContact O-N 2.97Å; E661-S664 WeakPolarHBondContact O-CB 3.2Å; E661-S664 PolarHBondContact O-N 3Å; E661-S664 VanDerWaalsContact O-N 3.12Å; E661-S664 PolarHBondContact O-OG 3.49Å |
| 662 | T | 38.4 | Very low | 41.2 | Very low | 65 Ų | 65 | 106.4 Ų | 106.4 | 40% | 0.399 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69 | -28.5 | -175.5 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | T659 S664 S665 | T659-T662 PolarHBondContact O-OG1 3.49Å; T662-S664 VanDerWaalsContact C-N 3.28Å; T662-S664 PolarHBondContact O-N 3.16Å; T662-S665 PolarHBondContact O-OG 3.43Å |
| 663 | L | 33.1 | Very low | 39.1 | Very low | 58 Ų | 58 | 111.4 Ų | 111.4 | 30% | 0.304 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.4 | -21.2 | 174.8 | -70.4 | 170.5 | 0 | 0 | 0 | 113 | E661 L667 | E661-L663 VanDerWaalsContact C-N 3.34Å; E661-L663 PolarHBondContact O-N 2.97Å; L663-L667 PolarHBondContact O-N 3.18Å |
| 664 | S | 33.9 | Very low | 37.2 | Very low | 87 Ų | 87 | 114.1 Ų | 114.1 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.4 | -34.4 | -176.2 | 72.7 | 0 | 0 | 0 | 0 | 113.3 | E661 T662 | E661-S664 WeakPolarHBondContact O-CB 3.2Å; E661-S664 PolarHBondContact O-N 3Å; E661-S664 VanDerWaalsContact O-N 3.12Å; E661-S664 PolarHBondContact O-OG 3.49Å; T662-S664 VanDerWaalsContact C-N 3.28Å; T662-S664 PolarHBondContact O-N 3.16Å |
| 665 | S | 34.6 | Very low | 35.8 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 54% | 0.538 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -78 | -37.9 | 179.5 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | T662 S668 | T662-S665 PolarHBondContact O-OG 3.43Å; S665-S668 WeakPolarHBondContact O-CB 3.17Å; S665-S668 PolarHBondContact O-N 3.37Å; S665-S668 PolarHBondContact O-OG 3.28Å |
| 666 | R | 33.1 | Very low | 34.6 | Very low | 211 Ų | 211 | 121 Ų | 121 | 80% | 0.796 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -79 | -15.9 | -176.6 | -76.8 | -175.7 | 142.4 | -178.5 | -7.3 | 115.4 | ||
| 667 | L | 34.8 | Very low | 33.9 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | -0.6 | 173.9 | -76.6 | 166.3 | 0 | 0 | 0 | 113.9 | L663 T669 I670 | L663-L667 PolarHBondContact O-N 3.18Å; L667-T669 PolarHBondContact O-N 2.85Å; L667-T669 VanDerWaalsContact O-N 3.12Å; L667-I670 HydrophobicContact CD2-CD1 4.32Å; L667-I670 PolarHBondContact O-N 2.72Å |
| 668 | S | 35.9 | Very low | 33.4 | Very low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -16.5 | -176.9 | 59 | 0 | 0 | 0 | 0 | 115.3 | S665 | S665-S668 WeakPolarHBondContact O-CB 3.17Å; S665-S668 PolarHBondContact O-N 3.37Å; S665-S668 PolarHBondContact O-OG 3.28Å |
| 669 | T | 36.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 75% | 0.748 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -11.7 | 178.6 | 46.2 | 0 | 0 | 0 | 0 | 114.4 | L667 | L667-T669 PolarHBondContact O-N 2.85Å; L667-T669 VanDerWaalsContact O-N 3.12Å |
| 670 | I | 34.3 | Very low | 33.8 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 65% | 0.651 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -102.1 | 100.9 | 179 | -55.7 | -179.5 | 0 | 0 | 0 | 109 | L667 | L667-I670 HydrophobicContact CD2-CD1 4.32Å; L667-I670 PolarHBondContact O-N 2.72Å |
| 671 | R | 25.2 | Very low | 34.9 | Very low | 236 Ų | 236 | 119.3 Ų | 119.3 | 89% | 0.891 | 64% | 0.641 | S | S | * | * | trans | -67.7 | 146.7 | 175.7 | -77.2 | -178.3 | 171 | 174.6 | -2.8 | 111.3 | ||||
| 672 | A | 29 | Very low | 36.3 | Very low | 100 Ų | 100 | 115.2 Ų | 115.2 | 83% | 0.826 | 62% | 0.62 | S | S | * | * | trans | 73.1 | 75.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 673 | S | 28.4 | Very low | 37.8 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 62% | 0.615 | S | S | * | * | -167 | 140.3 | 114.2 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 674 | P | 29 | Very low | 39.5 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | trans | -97.5 | 93.1 | 179.6 | 35.1 | -31.2 | 0 | 0 | 0 | 112.2 | ||||
| 675 | N | 33.7 | Very low | 41.3 | Very low | 112 Ų | 112 | 110.6 Ų | 110.6 | 60% | 0.599 | 58% | 0.581 | S | S | * | * | trans | -148.5 | 92.6 | 172 | -107 | -49.7 | 0 | 0 | 0 | 114 | T677 A678 | N675-T677 PolarHBondContact O-N 2.91Å; N675-T677 VanDerWaalsContact O-N 3.08Å; N675-T677 PolarHBondContact OD1-OG1 2.96Å; N675-A678 WeakPolarHBondContact O-CB 3.44Å; N675-A678 PolarHBondContact O-N 2.86Å; N675-A678 VanDerWaalsContact O-N 3.14Å | ||
| 676 | R | 30.3 | Very low | 43.2 | Very low | 244 Ų | 244 | 107.1 Ų | 107.1 | 92% | 0.921 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -16.3 | 173.1 | -89.9 | -176.9 | 167 | -175.4 | -4.8 | 113.9 | ||
| 677 | T | 35.5 | Very low | 45.3 | Very low | 101 Ų | 101 | 97 Ų | 97 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -30.7 | 175 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | N675 I679 K680 | N675-T677 PolarHBondContact O-N 2.91Å; N675-T677 VanDerWaalsContact O-N 3.08Å; N675-T677 PolarHBondContact OD1-OG1 2.96Å; T677-I679 VanDerWaalsContact C-N 3.32Å; T677-I679 PolarHBondContact O-N 3.46Å; T677-K680 PolarHBondContact O-N 3.04Å |
| 678 | A | 35.7 | Very low | 47.3 | Very low | 55 Ų | 55 | 92.3 Ų | 92.3 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -37.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N675 K680 S681 | N675-A678 WeakPolarHBondContact O-CB 3.44Å; N675-A678 PolarHBondContact O-N 2.86Å; N675-A678 VanDerWaalsContact O-N 3.14Å; A678-K680 VanDerWaalsContact C-N 3.29Å; A678-K680 PolarHBondContact O-N 2.98Å; A678-S681 WeakPolarHBondContact O-CB 3.34Å; A678-S681 PolarHBondContact O-N 3.2Å; A678-S681 PolarHBondContact O-OG 2.67Å |
| 679 | I | 36.8 | Very low | 49.4 | Very low | 90 Ų | 90 | 88.2 Ų | 88.2 | 46% | 0.462 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.2 | -34.4 | -174.5 | -58.6 | 176.1 | 0 | 0 | 0 | 111.9 | T677 S681 Y682 | T677-I679 VanDerWaalsContact C-N 3.32Å; T677-I679 PolarHBondContact O-N 3.46Å; I679-S681 PolarHBondContact O-N 3.28Å; I679-Y682 PolarHBondContact O-N 2.85Å |
| 680 | K | 43.5 | Very low | 51.5 | Low | 192 Ų | 192 | 82.4 Ų | 82.4 | 84% | 0.835 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.2 | -23.9 | 176.2 | -77.4 | -171.5 | 175.1 | -176.9 | 0 | 113.3 | T677 A678 | T677-K680 PolarHBondContact O-N 3.04Å; A678-K680 VanDerWaalsContact C-N 3.29Å; A678-K680 PolarHBondContact O-N 2.98Å |
| 681 | S | 58.7 | Low | 53.7 | Low | 47 Ų | 47 | 76.3 Ų | 76.3 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -80 | -26.2 | -178.5 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | A678 I679 R683 T684 N685 | A678-S681 WeakPolarHBondContact O-CB 3.34Å; A678-S681 PolarHBondContact O-N 3.2Å; A678-S681 PolarHBondContact O-OG 2.67Å; I679-S681 PolarHBondContact O-N 3.28Å; S681-R683 PolarHBondContact O-N 3.07Å; S681-T684 PolarHBondContact O-N 2.9Å; S681-T684 PolarHBondContact O-OG1 3.24Å; S681-T684 VanDerWaalsContact O-OG1 3.06Å; S681-N685 VanDerWaalsContact O-CB 3.22Å; S681-N685 WeakPolarHBondContact O-CB 3.38Å; S681-N685 PolarHBondContact O-N 3.24Å; S681-N685 PolarHBondContact O-ND2 2.93Å; S681-N685 PolarHBondContact O-OD1 2.91Å; S681-N685 PolarHBondContact OG-ND2 2.83Å |
| 682 | Y | 62.9 | Low | 56.5 | Low | 63 Ų | 63 | 65.5 Ų | 65.5 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | -168.7 | -173 | -90.3 | 0 | 0 | 0 | 113.1 | I621 R655 I679 L686 | I621-Y682 HydrophobicContact CG1-CD2 4.47Å; I621-Y682 HydrophobicContact CG1-CE2 4.34Å; I621-Y682 HydrophobicContact CG2-CE2 3.93Å; R655-Y682 VanDerWaalsContact NH1-CZ 3.27Å; R655-Y682 PolarHBondContact NH1-OH 3.21Å; I679-Y682 PolarHBondContact O-N 2.85Å; Y682-L686 HydrophobicContact CE1-CD2 4.26Å; Y682-L686 WeakPolarHBondContact O-CB 3.35Å; Y682-L686 PolarHBondContact O-N 2.88Å |
| 683 | R | 68.5 | Low | 58.8 | Low | 79 Ų | 79 | 60.8 Ų | 60.8 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77.2 | -31.7 | -174.6 | -156.7 | 167 | -178.9 | 155.1 | -9.6 | 113.1 | R655 S656 S681 L687 | R655-R683 PolarHBondContact O-NH1 3.49Å; R655-R683 VanDerWaalsContact O-NH1 3.1Å; S656-R683 PolarHBondContact O-NH1 2.72Å; S656-R683 PolarHBondContact O-NH2 3.32Å; S681-R683 PolarHBondContact O-N 3.07Å; R683-L687 WeakPolarHBondContact O-CB 3.48Å; R683-L687 PolarHBondContact O-N 3.37Å |
| 684 | T | 70.6 | Confident | 61.2 | Low | 17 Ų | 17 | 55.9 Ų | 55.9 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.1 | -37.6 | 170.6 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | S681 L687 A688 D744 V745 L883 | S681-T684 PolarHBondContact O-N 2.9Å; S681-T684 PolarHBondContact O-OG1 3.24Å; S681-T684 VanDerWaalsContact O-OG1 3.06Å; T684-L687 PolarHBondContact O-N 2.85Å; T684-A688 WeakPolarHBondContact O-CB 3.44Å; T684-A688 PolarHBondContact O-N 3.46Å; T684-D744 HydrophobicContact CG2-CB 4.27Å; T684-V745 HydrophobicContact CG2-CG2 3.8Å; T684-L883 HydrophobicContact CG2-CD1 4.1Å |
| 685 | N | 70.2 | Confident | 63.5 | Low | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 174.1 | -68.5 | -6.5 | 0 | 0 | 0 | 111.9 | T619 I621 S681 A688 Y689 I882 | T619-N685 HydrophobicContact CG2-CB 4.23Å; I621-N685 HydrophobicContact CD1-CB 4.01Å; I621-N685 HydrophobicContact CG1-CB 4.42Å; S681-N685 VanDerWaalsContact O-CB 3.22Å; S681-N685 WeakPolarHBondContact O-CB 3.38Å; S681-N685 PolarHBondContact O-N 3.24Å; S681-N685 PolarHBondContact O-ND2 2.93Å; S681-N685 PolarHBondContact O-OD1 2.91Å; S681-N685 PolarHBondContact OG-ND2 2.83Å; N685-A688 PolarHBondContact O-N 2.92Å; N685-Y689 WeakPolarHBondContact O-CB 3.45Å; N685-Y689 PolarHBondContact O-N 3.27Å; N685-I882 HydrophobicContact CB-CD1 4.46Å; N685-I882 VanDerWaalsContact OD1-CD1 3.23Å; N685-I882 WeakPolarHBondContact OD1-CD1 3.35Å; N685-I882 WeakPolarHBondContact OD1-CG2 3.36Å |
| 686 | L | 74.4 | Confident | 65.4 | Low | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.8 | -177.5 | 65.9 | 0 | 0 | 0 | 111.8 | L624 V648 L651 F652 Y682 Y689 L690 | L624-L686 HydrophobicContact CD1-CD1 4.47Å; V648-L686 HydrophobicContact CG1-CD1 4.18Å; L651-L686 HydrophobicContact CB-CD2 4.41Å; F652-L686 HydrophobicContact CB-CD2 4.22Å; F652-L686 HydrophobicContact CD2-CD2 4.46Å; Y682-L686 HydrophobicContact CE1-CD2 4.26Å; Y682-L686 WeakPolarHBondContact O-CB 3.35Å; Y682-L686 PolarHBondContact O-N 2.88Å; L686-Y689 PolarHBondContact O-N 2.8Å; L686-L690 WeakPolarHBondContact O-CB 3.41Å; L686-L690 PolarHBondContact O-N 2.96Å |
| 687 | L | 78.8 | Confident | 67.3 | Low | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 177.3 | -177.7 | 55.2 | 0 | 0 | 0 | 112.1 | F652 R683 T684 L690 I691 V745 L749 L752 | F652-L687 HydrophobicContact CE2-CD1 4.19Å; R683-L687 WeakPolarHBondContact O-CB 3.48Å; R683-L687 PolarHBondContact O-N 3.37Å; T684-L687 PolarHBondContact O-N 2.85Å; L687-L690 PolarHBondContact O-N 3.25Å; L687-I691 HydrophobicContact CD1-CD1 4.28Å; L687-I691 HydrophobicContact CG-CD1 4.22Å; L687-I691 WeakPolarHBondContact O-CD1 3.38Å; L687-I691 VanDerWaalsContact O-CG1 3.25Å; L687-I691 WeakPolarHBondContact O-CG1 3.34Å; L687-I691 PolarHBondContact O-N 2.76Å; L687-V745 HydrophobicContact CD2-CG1 4.13Å; L687-L749 HydrophobicContact CD1-CD2 4.17Å; L687-L749 HydrophobicContact CD2-CD2 4.04Å; L687-L749 HydrophobicContact CD2-CG 4.22Å; L687-L752 HydrophobicContact CD1-CD2 3.98Å |
| 688 | A | 76.6 | Confident | 68.7 | Low | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | P617 T684 N685 I691 W692 I882 L883 F886 | P617-A688 HydrophobicContact CB-CB 3.96Å; P617-A688 HydrophobicContact CG-CB 3.89Å; T684-A688 WeakPolarHBondContact O-CB 3.44Å; T684-A688 PolarHBondContact O-N 3.46Å; N685-A688 PolarHBondContact O-N 2.92Å; A688-I691 PolarHBondContact O-N 3.02Å; A688-W692 WeakPolarHBondContact O-CB 3.38Å; A688-W692 PolarHBondContact O-N 2.88Å; A688-I882 HydrophobicContact CB-CG1 4.47Å; A688-I882 HydrophobicContact CB-CG2 4.02Å; A688-L883 HydrophobicContact CB-CD2 3.86Å; A688-F886 HydrophobicContact CB-CE2 3.96Å; A688-F886 HydrophobicContact CB-CZ 4.46Å |
| 689 | Y | 78.3 | Confident | 70.1 | Confident | 10 Ų | 10 | 31 Ų | 31 | 4% | 0.039 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 176.3 | -174 | -97.6 | 0 | 0 | 0 | 112 | T619 L624 H644 V648 N685 L686 W692 L693 | T619-Y689 HydrophobicContact CG2-CD2 4.45Å; L624-Y689 HydrophobicContact CD1-CD1 4.5Å; H644-Y689 AromaticContact NE2-CE1 3.84Å; H644-Y689 AromaticContact NE2-CZ 3.84Å; H644-Y689 PolarHBondContact NE2-OH 2.9Å; V648-Y689 HydrophobicContact CG1-CD1 4.08Å; V648-Y689 HydrophobicContact CG1-CE1 4.48Å; V648-Y689 HydrophobicContact CG2-CD1 4.25Å; V648-Y689 HydrophobicContact CG2-CE1 3.85Å; N685-Y689 WeakPolarHBondContact O-CB 3.45Å; N685-Y689 PolarHBondContact O-N 3.27Å; L686-Y689 PolarHBondContact O-N 2.8Å; Y689-W692 HydrophobicContact CD2-CE3 4.07Å; Y689-W692 HydrophobicContact CD2-CZ3 4.24Å; Y689-W692 AromaticContact CE2-CE3 3.93Å; Y689-W692 HydrophobicContact CE2-CE3 3.93Å; Y689-W692 AromaticContact CE2-CZ3 3.64Å; Y689-W692 HydrophobicContact CE2-CZ3 3.64Å; Y689-W692 PolarHBondContact O-N 2.88Å; Y689-L693 HydrophobicContact CE1-CD2 4.22Å; Y689-L693 VanDerWaalsContact O-CB 3.28Å; Y689-L693 WeakPolarHBondContact O-CB 3.38Å; Y689-L693 PolarHBondContact O-N 3.5Å |
| 690 | L | 80.4 | Confident | 71.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 175.8 | 179.3 | 59.1 | 0 | 0 | 0 | 112.1 | V648 V649 F652 L686 L687 L693 M694 L727 L752 | V648-L690 HydrophobicContact CG1-CB 4.15Å; V648-L690 HydrophobicContact CG1-CD1 4.03Å; V649-L690 HydrophobicContact CG2-CD1 3.98Å; F652-L690 HydrophobicContact CG-CD2 4.5Å; L686-L690 WeakPolarHBondContact O-CB 3.41Å; L686-L690 PolarHBondContact O-N 2.96Å; L687-L690 PolarHBondContact O-N 3.25Å; L690-L693 PolarHBondContact O-N 3.17Å; L690-M694 HydrophobicContact CD1-CG 4.12Å; L690-M694 WeakPolarHBondContact O-CB 3.44Å; L690-M694 VanDerWaalsContact O-CG 3.3Å; L690-M694 WeakPolarHBondContact O-CG 3.31Å; L690-M694 PolarHBondContact O-N 2.83Å; L690-L727 HydrophobicContact CD2-CD1 4.46Å; L690-L752 HydrophobicContact CD2-CD2 3.63Å; L690-L752 HydrophobicContact CG-CD1 4.41Å; L690-L752 HydrophobicContact CG-CD2 4.15Å |
| 691 | I | 81.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 174.9 | -69.4 | 164.1 | 0 | 0 | 0 | 110.8 | W612 L687 A688 A695 R751 L752 L883 F886 | W612-I691 HydrophobicContact CD2-CG2 4.26Å; W612-I691 HydrophobicContact CE3-CG2 3.42Å; W612-I691 VanDerWaalsContact CE3-CG2 3.42Å; W612-I691 HydrophobicContact CZ3-CG2 3.89Å; L687-I691 HydrophobicContact CD1-CD1 4.28Å; L687-I691 HydrophobicContact CG-CD1 4.22Å; L687-I691 WeakPolarHBondContact O-CD1 3.38Å; L687-I691 VanDerWaalsContact O-CG1 3.25Å; L687-I691 WeakPolarHBondContact O-CG1 3.34Å; L687-I691 PolarHBondContact O-N 2.76Å; A688-I691 PolarHBondContact O-N 3.02Å; I691-A695 WeakPolarHBondContact O-CB 3.31Å; I691-A695 PolarHBondContact O-N 3.08Å; I691-A695 VanDerWaalsContact O-N 3.07Å; I691-R751 HydrophobicContact CD1-CB 4.11Å; I691-L752 HydrophobicContact CG1-CB 4.08Å; I691-L752 HydrophobicContact CG1-CD1 4.13Å; I691-L883 HydrophobicContact CD1-CD2 4.41Å; I691-F886 HydrophobicContact CG2-CE1 4.29Å; I691-F886 HydrophobicContact CG2-CE2 4.46Å; I691-F886 HydrophobicContact CG2-CZ 4.14Å |
| 692 | W | 83.1 | Confident | 71 | Confident | 8 Ų | 8 | 23 Ų | 23 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 177.1 | 172 | 84.1 | 0 | 0 | 0 | 112.2 | W612 V615 M616 P617 L633 A688 Y689 A695 K696 | W612-W692 VanDerWaalsContact O-CD1 3.28Å; V615-W692 VanDerWaalsContact O-CD1 3.25Å; M616-W692 HydrophobicContact CB-CZ2 3.87Å; M616-W692 HydrophobicContact CG-CD2 4.15Å; M616-W692 HydrophobicContact CG-CE3 4.33Å; M616-W692 HydrophobicContact CG-CH2 3.86Å; M616-W692 HydrophobicContact CG-CZ2 3.69Å; M616-W692 HydrophobicContact CG-CZ3 4.2Å; M616-W692 HydrophobicContact SD-CH2 3.96Å; M616-W692 HydrophobicContact SD-CZ2 4.23Å; M616-W692 HydrophobicContact SD-CZ3 4.46Å; P617-W692 HydrophobicContact CG-CB 4.02Å; P617-W692 HydrophobicContact CG-CG 4.47Å; L633-W692 HydrophobicContact CD1-CH2 3.36Å; L633-W692 HydrophobicContact CD1-CZ2 4.31Å; L633-W692 HydrophobicContact CD1-CZ3 3.86Å; A688-W692 WeakPolarHBondContact O-CB 3.38Å; A688-W692 PolarHBondContact O-N 2.88Å; Y689-W692 HydrophobicContact CD2-CE3 4.07Å; Y689-W692 HydrophobicContact CD2-CZ3 4.24Å; Y689-W692 AromaticContact CE2-CE3 3.93Å; Y689-W692 HydrophobicContact CE2-CE3 3.93Å; Y689-W692 AromaticContact CE2-CZ3 3.64Å; Y689-W692 HydrophobicContact CE2-CZ3 3.64Å; Y689-W692 PolarHBondContact O-N 2.88Å; W692-A695 PolarHBondContact O-N 3.47Å; W692-K696 WeakPolarHBondContact O-CB 3.45Å; W692-K696 PolarHBondContact O-N 3.21Å |
| 693 | L | 78.6 | Confident | 69.9 | Low | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -44.1 | -179.4 | -176.1 | 63.3 | 0 | 0 | 0 | 112 | L633 L641 I645 V648 Y689 L690 A695 K696 S697 | L633-L693 HydrophobicContact CD2-CD1 4.32Å; L641-L693 HydrophobicContact CD1-CD1 4.31Å; I645-L693 HydrophobicContact CG1-CD2 3.8Å; I645-L693 HydrophobicContact CG1-CG 4.08Å; V648-L693 HydrophobicContact CB-CD2 4.48Å; V648-L693 HydrophobicContact CG2-CD2 4.16Å; Y689-L693 HydrophobicContact CE1-CD2 4.22Å; Y689-L693 VanDerWaalsContact O-CB 3.28Å; Y689-L693 WeakPolarHBondContact O-CB 3.38Å; Y689-L693 PolarHBondContact O-N 3.5Å; L690-L693 PolarHBondContact O-N 3.17Å; L693-A695 VanDerWaalsContact C-N 3.34Å; L693-K696 PolarHBondContact O-N 3.01Å; L693-S697 WeakPolarHBondContact O-CB 3.47Å; L693-S697 PolarHBondContact O-N 3.1Å; L693-S697 PolarHBondContact O-OG 3.28Å |
| 694 | M | 77.8 | Confident | 68.5 | Low | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.039 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -33.2 | 176.2 | -69.9 | -62.9 | -65.4 | 0 | 0 | 112.6 | I645 L690 S697 N698 L755 Y759 | I645-M694 HydrophobicContact CD1-SD 4.47Å; I645-M694 HydrophobicContact CG2-SD 3.99Å; L690-M694 HydrophobicContact CD1-CG 4.12Å; L690-M694 WeakPolarHBondContact O-CB 3.44Å; L690-M694 VanDerWaalsContact O-CG 3.3Å; L690-M694 WeakPolarHBondContact O-CG 3.31Å; L690-M694 PolarHBondContact O-N 2.83Å; M694-S697 PolarHBondContact O-OG 2.92Å; M694-N698 PolarHBondContact O-ND2 3.21Å; M694-L755 HydrophobicContact CB-CD2 3.64Å; M694-Y759 PolarHBondContact O-OH 3Å |
| 695 | A | 77.2 | Confident | 66.7 | Low | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.1 | -36.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W612 I691 W692 L693 S699 | W612-A695 HydrophobicContact CB-CB 4.11Å; I691-A695 WeakPolarHBondContact O-CB 3.31Å; I691-A695 PolarHBondContact O-N 3.08Å; I691-A695 VanDerWaalsContact O-N 3.07Å; W692-A695 PolarHBondContact O-N 3.47Å; L693-A695 VanDerWaalsContact C-N 3.34Å; A695-S699 WeakPolarHBondContact O-CB 3.38Å; A695-S699 PolarHBondContact O-N 3.35Å |
| 696 | K | 75 | Confident | 64.8 | Low | 48 Ų | 48 | 39.9 Ų | 39.9 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.7 | -43.4 | -176.5 | -178.2 | 60.2 | 175.1 | -178.6 | 0 | 112.8 | W692 L693 N698 S699 I700 | W692-K696 WeakPolarHBondContact O-CB 3.45Å; W692-K696 PolarHBondContact O-N 3.21Å; L693-K696 PolarHBondContact O-N 3.01Å; K696-N698 PolarHBondContact O-N 3.4Å; K696-S699 WeakPolarHBondContact O-CA 3.45Å; K696-S699 WeakPolarHBondContact O-CB 3.4Å; K696-S699 PolarHBondContact O-N 3.16Å; K696-S699 VanDerWaalsContact O-N 3.08Å; K696-I700 HydrophobicContact CD-CD1 4.36Å; K696-I700 HydrophobicContact CD-CG1 4.47Å; K696-I700 HydrophobicContact CG-CD1 4.05Å; K696-I700 WeakPolarHBondContact O-CG1 3.39Å; K696-I700 PolarHBondContact O-N 3.42Å |
| 697 | S | 69.6 | Low | 62.8 | Low | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -51.7 | 175.7 | 46.2 | 0 | 0 | 0 | 0 | 111.9 | L693 M694 S699 I700 N701 | L693-S697 WeakPolarHBondContact O-CB 3.47Å; L693-S697 PolarHBondContact O-N 3.1Å; L693-S697 PolarHBondContact O-OG 3.28Å; M694-S697 PolarHBondContact O-OG 2.92Å; S697-S699 VanDerWaalsContact C-N 3.28Å; S697-S699 PolarHBondContact O-N 3.29Å; S697-I700 PolarHBondContact O-N 2.93Å; S697-I700 VanDerWaalsContact O-N 3.11Å; S697-N701 PolarHBondContact O-N 3.32Å |
| 698 | N | 65 | Low | 60.6 | Low | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -28.5 | 175.6 | -75.5 | -77.8 | 0 | 0 | 0 | 113.7 | M694 K696 N702 Y759 | M694-N698 PolarHBondContact O-ND2 3.21Å; K696-N698 PolarHBondContact O-N 3.4Å; N698-N702 PolarHBondContact O-N 3.11Å; N698-N702 PolarHBondContact O-ND2 2.62Å; N698-Y759 HydrophobicContact CB-CE1 3.77Å; N698-Y759 HydrophobicContact CB-CE2 4.44Å; N698-Y759 WeakPolarHBondContact CB-OH 3.3Å; N698-Y759 WeakPolarHBondContact ND2-CE2 3.44Å |
| 699 | S | 64.9 | Low | 58.5 | Low | 42 Ų | 42 | 48.5 Ų | 48.5 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.7 | -34.6 | 173.1 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | A695 K696 S697 G703 | A695-S699 WeakPolarHBondContact O-CB 3.38Å; A695-S699 PolarHBondContact O-N 3.35Å; K696-S699 WeakPolarHBondContact O-CA 3.45Å; K696-S699 WeakPolarHBondContact O-CB 3.4Å; K696-S699 PolarHBondContact O-N 3.16Å; K696-S699 VanDerWaalsContact O-N 3.08Å; S697-S699 VanDerWaalsContact C-N 3.28Å; S697-S699 PolarHBondContact O-N 3.29Å; S699-G703 PolarHBondContact O-N 3.29Å |
| 700 | I | 56.8 | Low | 56.3 | Low | 24 Ų | 24 | 52.4 Ų | 52.4 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.5 | -47.3 | 177.1 | -67.6 | 158.5 | 0 | 0 | 0 | 110.7 | L633 K696 S697 N702 G703 K704 | L633-I700 WeakPolarHBondContact O-CD1 3.45Å; K696-I700 HydrophobicContact CD-CD1 4.36Å; K696-I700 HydrophobicContact CD-CG1 4.47Å; K696-I700 HydrophobicContact CG-CD1 4.05Å; K696-I700 WeakPolarHBondContact O-CG1 3.39Å; K696-I700 PolarHBondContact O-N 3.42Å; S697-I700 PolarHBondContact O-N 2.93Å; S697-I700 VanDerWaalsContact O-N 3.11Å; I700-N702 PolarHBondContact O-N 3.28Å; I700-G703 PolarHBondContact O-N 2.85Å; I700-G703 VanDerWaalsContact O-N 3.14Å; I700-K704 HydrophobicContact CG2-CD 4.43Å; I700-K704 PolarHBondContact O-N 3.4Å |
| 701 | N | 51.5 | Low | 54 | Low | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | -177 | -66.1 | -1.3 | 0 | 0 | 0 | 112.2 | S697 G703 S716 T719 | S697-N701 PolarHBondContact O-N 3.32Å; N701-G703 VanDerWaalsContact C-N 3.28Å; N701-G703 PolarHBondContact O-N 3.43Å; N701-S716 PolarHBondContact ND2-O 3.36Å; N701-T719 PolarHBondContact ND2-OG1 3.09Å |
| 702 | N | 49.6 | Very low | 51.8 | Low | 111 Ų | 111 | 63.8 Ų | 63.8 | 59% | 0.594 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.9 | -18.9 | 174.5 | -74.2 | -57.2 | 0 | 0 | 0 | 114 | N698 I700 | N698-N702 PolarHBondContact O-N 3.11Å; N698-N702 PolarHBondContact O-ND2 2.62Å; I700-N702 PolarHBondContact O-N 3.28Å |
| 703 | G | 40.8 | Very low | 49.9 | Very low | 65 Ų | 65 | 67 Ų | 67 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -94.3 | -19.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S699 I700 N701 | S699-G703 PolarHBondContact O-N 3.29Å; I700-G703 PolarHBondContact O-N 2.85Å; I700-G703 VanDerWaalsContact O-N 3.14Å; N701-G703 VanDerWaalsContact C-N 3.28Å; N701-G703 PolarHBondContact O-N 3.43Å |
| 704 | K | 37.7 | Very low | 48.5 | Very low | 137 Ų | 137 | 69.3 Ų | 69.3 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -117.5 | -21.4 | -169.9 | -74 | -167.8 | 171.4 | -165.1 | 0 | 116.7 | N634 I700 | N634-K704 PolarHBondContact O-NZ 3.36Å; I700-K704 HydrophobicContact CG2-CD 4.43Å; I700-K704 PolarHBondContact O-N 3.4Å |
| 705 | R | 32.5 | Very low | 47 | Very low | 123 Ų | 123 | 75.3 Ų | 75.3 | 46% | 0.464 | 40% | 0.397 | S | S | . | . | trans | -103.9 | 120.6 | -177.1 | -70 | -171.1 | 176 | -158.2 | -3.1 | 111.6 | L707 D713 S716 | R705-L707 PolarHBondContact O-N 3.39Å; R705-D713 IonicContact CZ-OD2 3.21Å; R705-D713 IonicContact NH1-OD2 2.68Å; R705-D713 PolarHBondContact NH1-OD2 3.47Å; R705-D713 IonicContact NH2-OD2 2.93Å; R705-S716 PolarHBondContact NH1-OG 3.34Å | ||
| 706 | R | 30.9 | Very low | 45.7 | Very low | 205 Ų | 205 | 75.8 Ų | 75.8 | 77% | 0.774 | 40% | 0.4 | S | S | * | . | trans | -62.9 | 118.1 | 169.4 | -62.6 | 177.5 | 177.9 | 167.4 | -0.9 | 108.5 | S708 | R706-S708 WeakPolarHBondContact CB-OG 3.39Å; R706-S708 PolarHBondContact O-N 3.35Å | ||
| 707 | L | 32.2 | Very low | 44.5 | Very low | 59 Ų | 59 | 77.2 Ų | 77.2 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -11.2 | 175.6 | -102.5 | 72.5 | 0 | 0 | 0 | 113.6 | L506 T510 R705 A709 | L506-L707 HydrophobicContact CB-CB 3.96Å; L506-L707 HydrophobicContact CD2-CB 4.27Å; L506-L707 HydrophobicContact CD2-CD1 3.93Å; L506-L707 HydrophobicContact CG-CB 4.06Å; L506-L707 VanDerWaalsContact O-CB 3.24Å; L506-L707 WeakPolarHBondContact O-CB 3.32Å; T510-L707 VanDerWaalsContact CG2-O 3.23Å; T510-L707 WeakPolarHBondContact CG2-O 3.33Å; R705-L707 PolarHBondContact O-N 3.39Å; L707-A709 PolarHBondContact O-N 2.99Å; L707-A709 VanDerWaalsContact O-N 3.11Å |
| 708 | S | 33.6 | Very low | 43.7 | Very low | 47 Ų | 47 | 77.8 Ų | 77.8 | 33% | 0.329 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -3.6 | -178.4 | 61.7 | 0 | 0 | 0 | 0 | 116 | H509 R706 | H509-S708 VanDerWaalsContact CB-CB 3.48Å; R706-S708 WeakPolarHBondContact CB-OG 3.39Å; R706-S708 PolarHBondContact O-N 3.35Å |
| 709 | A | 31.5 | Very low | 43.3 | Very low | 79 Ų | 79 | 76.9 Ų | 76.9 | 65% | 0.653 | 40% | 0.402 | S | S | * | . | trans | -128.8 | 79.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L707 S711 | L707-A709 PolarHBondContact O-N 2.99Å; L707-A709 VanDerWaalsContact O-N 3.11Å; A709-S711 PolarHBondContact O-N 3.45Å | ||
| 710 | I | 32 | Very low | 43 | Very low | 92 Ų | 92 | 75 Ų | 75 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | trans | -73.9 | 95.2 | 170.6 | -66.5 | 175.4 | 0 | 0 | 0 | 109 | T510 F512 | T510-I710 HydrophobicContact CG2-CB 4.46Å; T510-I710 HydrophobicContact CG2-CD1 3.76Å; T510-I710 HydrophobicContact CG2-CG1 3.71Å; F512-I710 HydrophobicContact CE2-CB 4.15Å; F512-I710 HydrophobicContact CE2-CG2 4.03Å; F512-I710 WeakPolarHBondContact CZ-O 3.15Å | ||
| 711 | S | 31.7 | Very low | 43.4 | Very low | 107 Ų | 107 | 74.4 Ų | 74.4 | 75% | 0.748 | 39% | 0.387 | S | S | * | . | trans | -114.1 | 63.1 | 155.4 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | A709 D713 | A709-S711 PolarHBondContact O-N 3.45Å; S711-D713 PolarHBondContact O-N 3.41Å | ||
| 712 | M | 36.2 | Very low | 44 | Very low | 132 Ų | 132 | 77.6 Ų | 77.6 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | trans | 44.5 | 14 | 162.7 | -85.3 | -173 | 170.8 | 0 | 0 | 120.8 | I714 S772 | M712-I714 PolarHBondContact O-N 3.42Å; M712-S772 VanDerWaalsContact CE-CB 3.47Å | ||
| 713 | D | 42.4 | Very low | 44.9 | Very low | 75 Ų | 75 | 73.8 Ų | 73.8 | 40% | 0.401 | 38% | 0.381 | S | S | . | . | trans | -79.6 | 58.9 | -175.7 | -157.6 | 28.6 | 0 | 0 | 0 | 112.6 | R705 S711 R715 S716 | R705-D713 IonicContact CZ-OD2 3.21Å; R705-D713 IonicContact NH1-OD2 2.68Å; R705-D713 PolarHBondContact NH1-OD2 3.47Å; R705-D713 IonicContact NH2-OD2 2.93Å; S711-D713 PolarHBondContact O-N 3.41Å; D713-R715 PolarHBondContact O-N 3.49Å; D713-S716 WeakPolarHBondContact O-CB 3.35Å; D713-S716 PolarHBondContact O-N 3.45Å; D713-S716 PolarHBondContact O-OG 2.9Å | ||
| 714 | I | 49.4 | Very low | 46.3 | Very low | 49 Ų | 49 | 71 Ų | 71 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -51.9 | -28.8 | 176.5 | -62.7 | 170.6 | 0 | 0 | 0 | 110.8 | M712 S716 Y717 L718 F763 | M712-I714 PolarHBondContact O-N 3.42Å; I714-S716 PolarHBondContact O-N 2.97Å; I714-S716 VanDerWaalsContact O-N 3.16Å; I714-Y717 PolarHBondContact O-N 2.93Å; I714-L718 HydrophobicContact CG2-CD1 4.14Å; I714-L718 PolarHBondContact O-N 3.22Å; I714-F763 HydrophobicContact CG2-CE2 4.42Å |
| 715 | R | 46.5 | Very low | 47.9 | Very low | 135 Ų | 135 | 65 Ų | 65 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -51.6 | -34.1 | 173.2 | -154.8 | 179.5 | -64.6 | -171.3 | 1.7 | 112.4 | L638 E639 D713 Y717 L718 | L638-R715 HydrophobicContact CD2-CB 4.47Å; L638-R715 HydrophobicContact CD2-CG 4.2Å; E639-R715 IonicContact OE1-NH1 3.24Å; D713-R715 PolarHBondContact O-N 3.49Å; R715-Y717 VanDerWaalsContact C-N 3.28Å; R715-Y717 PolarHBondContact O-N 2.98Å; R715-L718 WeakPolarHBondContact O-CB 3.22Å; R715-L718 PolarHBondContact O-N 2.88Å |
| 716 | S | 49.1 | Very low | 49.8 | Very low | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -72.4 | -12.2 | 178.1 | 67.2 | 0 | 0 | 0 | 0 | 115.7 | N701 R705 D713 I714 | N701-S716 PolarHBondContact ND2-O 3.36Å; R705-S716 PolarHBondContact NH1-OG 3.34Å; D713-S716 WeakPolarHBondContact O-CB 3.35Å; D713-S716 PolarHBondContact O-N 3.45Å; D713-S716 PolarHBondContact O-OG 2.9Å; I714-S716 PolarHBondContact O-N 2.97Å; I714-S716 VanDerWaalsContact O-N 3.16Å |
| 717 | Y | 50.8 | Low | 52 | Low | 78 Ų | 78 | 53.2 Ų | 53.2 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -96.3 | -11.5 | 165.9 | -70.6 | -70.8 | 0 | 0 | 0 | 112.9 | I714 R715 I721 | I714-Y717 PolarHBondContact O-N 2.93Å; R715-Y717 VanDerWaalsContact C-N 3.28Å; R715-Y717 PolarHBondContact O-N 2.98Å; Y717-I721 WeakPolarHBondContact O-CD1 3.4Å |
| 718 | L | 52.4 | Low | 54.2 | Low | 14 Ų | 14 | 50.4 Ų | 50.4 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | trans | -88.8 | -6.3 | -173.1 | -82.3 | 168.2 | 0 | 0 | 0 | 115 | I714 R715 G720 I721 Q722 F763 I780 | I714-L718 HydrophobicContact CG2-CD1 4.14Å; I714-L718 PolarHBondContact O-N 3.22Å; R715-L718 WeakPolarHBondContact O-CB 3.22Å; R715-L718 PolarHBondContact O-N 2.88Å; L718-G720 PolarHBondContact O-N 3.23Å; L718-I721 HydrophobicContact CD2-CB 4.17Å; L718-I721 HydrophobicContact CD2-CG2 4.2Å; L718-I721 WeakPolarHBondContact O-CB 3.39Å; L718-I721 PolarHBondContact O-N 3.41Å; L718-Q722 HydrophobicContact CD2-CG 4.48Å; L718-F763 HydrophobicContact CD2-CE1 4.13Å; L718-F763 HydrophobicContact CD2-CE2 3.71Å; L718-F763 HydrophobicContact CD2-CZ 3.46Å; L718-F763 VanDerWaalsContact CD2-CZ 3.46Å; L718-F763 HydrophobicContact CG-CE2 4.03Å; L718-F763 HydrophobicContact CG-CZ 4.18Å; L718-I780 HydrophobicContact CD2-CD1 4.45Å | ||
| 719 | T | 56 | Low | 56.4 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 107.1 | -179.5 | 22.1 | 0 | 0 | 0 | 0 | 112.7 | L638 L641 E642 N701 I721 | L638-T719 HydrophobicContact CD1-CG2 3.46Å; L638-T719 VanDerWaalsContact CD1-CG2 3.46Å; L638-T719 HydrophobicContact CG-CG2 3.96Å; L641-T719 HydrophobicContact CD2-CG2 4.35Å; E642-T719 HydrophobicContact CG-CG2 3.73Å; E642-T719 WeakPolarHBondContact OE1-CA 3.43Å; N701-T719 PolarHBondContact ND2-OG1 3.09Å; T719-I721 PolarHBondContact O-N 3.31Å |
| 720 | G | 59.7 | Low | 58.6 | Low | 4 Ų | 4 | 49.2 Ų | 49.2 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -9.9 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | L718 Q722 L723 | L718-G720 PolarHBondContact O-N 3.23Å; G720-Q722 VanDerWaalsContact C-N 3.35Å; G720-L723 PolarHBondContact O-N 2.65Å |
| 721 | I | 64.2 | Low | 61 | Low | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -32.9 | 175.9 | -59.4 | -169 | 0 | 0 | 0 | 111.1 | Y717 L718 T719 L723 A724 F763 I780 | Y717-I721 WeakPolarHBondContact O-CD1 3.4Å; L718-I721 HydrophobicContact CD2-CB 4.17Å; L718-I721 HydrophobicContact CD2-CG2 4.2Å; L718-I721 WeakPolarHBondContact O-CB 3.39Å; L718-I721 PolarHBondContact O-N 3.41Å; T719-I721 PolarHBondContact O-N 3.31Å; I721-L723 PolarHBondContact O-N 2.63Å; I721-A724 WeakPolarHBondContact O-CB 3.15Å; I721-A724 PolarHBondContact O-N 3.14Å; I721-F763 HydrophobicContact CD1-CB 4.04Å; I721-F763 HydrophobicContact CD1-CD2 4.37Å; I721-F763 HydrophobicContact CD1-CG 4.16Å; I721-F763 HydrophobicContact CG2-CD1 4.28Å; I721-I780 HydrophobicContact CG2-CD1 4.2Å |
| 722 | Q | 65.2 | Low | 63.4 | Low | 96 Ų | 96 | 40.5 Ų | 40.5 | 45% | 0.449 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.8 | 175.5 | -58.1 | -172.3 | 35 | 0 | 0 | 112.6 | L718 G720 | L718-Q722 HydrophobicContact CD2-CG 4.48Å; G720-Q722 VanDerWaalsContact C-N 3.35Å |
| 723 | L | 68 | Low | 65.5 | Low | 31 Ų | 31 | 39.5 Ų | 39.5 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.5 | 176.8 | -63.9 | 165.8 | 0 | 0 | 0 | 113.4 | I645 V649 G720 I721 D726 L727 | I645-L723 HydrophobicContact CG2-CD1 3.79Å; V649-L723 HydrophobicContact CG2-CD1 4.32Å; G720-L723 PolarHBondContact O-N 2.65Å; I721-L723 PolarHBondContact O-N 2.63Å; L723-D726 PolarHBondContact O-N 3Å; L723-L727 VanDerWaalsContact O-CB 3.32Å; L723-L727 WeakPolarHBondContact O-CB 3.41Å; L723-L727 PolarHBondContact O-N 3.42Å |
| 724 | A | 70.9 | Confident | 67.3 | Low | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I721 L727 L728 I756 I760 | I721-A724 WeakPolarHBondContact O-CB 3.15Å; I721-A724 PolarHBondContact O-N 3.14Å; A724-L727 PolarHBondContact O-N 3.38Å; A724-L728 WeakPolarHBondContact O-CB 3.46Å; A724-L728 VanDerWaalsContact O-CG 3.3Å; A724-L728 WeakPolarHBondContact O-CG 3.47Å; A724-L728 PolarHBondContact O-N 3.42Å; A724-I756 HydrophobicContact CB-CG2 3.82Å; A724-I760 HydrophobicContact CB-CD1 4.09Å |
| 725 | P | 71.1 | Confident | 68.9 | Low | 12 Ų | 12 | 34.4 Ų | 34.4 | 8% | 0.078 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -50.9 | 176 | -23.4 | 34.9 | 0 | 0 | 0 | 112.2 | L727 L728 I729 T784 L787 | P725-L727 VanDerWaalsContact C-N 3.31Å; P725-L727 PolarHBondContact O-N 2.91Å; P725-L728 PolarHBondContact O-N 3.42Å; P725-I729 WeakPolarHBondContact O-CG1 3.4Å; P725-I729 PolarHBondContact O-N 2.84Å; P725-T784 HydrophobicContact CG-CG2 4.19Å; P725-L787 HydrophobicContact CB-CD2 3.93Å; P725-L787 VanDerWaalsContact O-CD2 3.25Å; P725-L787 WeakPolarHBondContact O-CD2 3.24Å |
| 726 | D | 73 | Confident | 70.5 | Confident | 75 Ų | 75 | 34.9 Ų | 34.9 | 40% | 0.401 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.2 | -44.3 | 175.3 | -76.7 | 2.9 | 0 | 0 | 0 | 112.3 | R653 L723 L728 I729 E730 | R653-D726 IonicContact CZ-OD2 2.68Å; R653-D726 IonicContact NH1-OD2 3.65Å; R653-D726 PolarHBondContact NH1-OD2 3.36Å; R653-D726 IonicContact NH2-OD2 3.69Å; R653-D726 PolarHBondContact NH2-OD2 3.02Å; L723-D726 PolarHBondContact O-N 3Å; D726-L728 VanDerWaalsContact C-N 3.34Å; D726-L728 PolarHBondContact O-N 3.46Å; D726-I729 WeakPolarHBondContact O-CB 3.44Å; D726-I729 PolarHBondContact O-N 2.86Å; D726-E730 PolarHBondContact O-N 3.04Å |
| 727 | L | 76.3 | Confident | 71.6 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | -178.3 | -172.7 | 54.8 | 0 | 0 | 0 | 111 | V649 F652 L690 L723 A724 P725 L731 L752 I756 | V649-L727 HydrophobicContact CG2-CD2 4.38Å; F652-L727 HydrophobicContact CD1-CD1 4.42Å; F652-L727 HydrophobicContact CE1-CD1 4.46Å; L690-L727 HydrophobicContact CD2-CD1 4.46Å; L723-L727 VanDerWaalsContact O-CB 3.32Å; L723-L727 WeakPolarHBondContact O-CB 3.41Å; L723-L727 PolarHBondContact O-N 3.42Å; A724-L727 PolarHBondContact O-N 3.38Å; P725-L727 VanDerWaalsContact C-N 3.31Å; P725-L727 PolarHBondContact O-N 2.91Å; L727-L731 HydrophobicContact CG-CD1 4.19Å; L727-L731 WeakPolarHBondContact O-CB 3.44Å; L727-L731 WeakPolarHBondContact O-CD1 3.28Å; L727-L731 WeakPolarHBondContact O-CG 3.32Å; L727-L731 PolarHBondContact O-N 2.94Å; L727-L752 HydrophobicContact CD1-CD2 4.31Å; L727-L752 HydrophobicContact CD2-CD2 4.36Å; L727-L752 HydrophobicContact CG-CD2 4.49Å; L727-I756 HydrophobicContact CB-CD1 4.38Å; L727-I756 HydrophobicContact CD2-CD1 3.59Å; L727-I756 HydrophobicContact CG-CD1 3.76Å |
| 728 | L | 78.2 | Confident | 72 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -35.5 | 171.6 | -75.3 | 171.4 | 0 | 0 | 0 | 112.9 | A724 P725 D726 L731 T732 I756 I760 L787 F788 | A724-L728 WeakPolarHBondContact O-CB 3.46Å; A724-L728 VanDerWaalsContact O-CG 3.3Å; A724-L728 WeakPolarHBondContact O-CG 3.47Å; A724-L728 PolarHBondContact O-N 3.42Å; P725-L728 PolarHBondContact O-N 3.42Å; D726-L728 VanDerWaalsContact C-N 3.34Å; D726-L728 PolarHBondContact O-N 3.46Å; L728-L731 HydrophobicContact CD2-CD1 4.33Å; L728-T732 VanDerWaalsContact O-CB 3.23Å; L728-T732 WeakPolarHBondContact O-CB 3.17Å; L728-T732 PolarHBondContact O-N 3.48Å; L728-T732 PolarHBondContact O-OG1 3.05Å; L728-I756 HydrophobicContact CD1-CG2 3.91Å; L728-I756 HydrophobicContact CD2-CB 4.42Å; L728-I756 HydrophobicContact CD2-CG2 4.05Å; L728-I756 HydrophobicContact CG-CG2 3.88Å; L728-I760 HydrophobicContact CD1-CD1 3.85Å; L728-L787 HydrophobicContact CB-CD2 4.06Å; L728-F788 HydrophobicContact CD1-CE1 4.18Å; L728-F788 HydrophobicContact CD1-CZ 3.97Å |
| 729 | I | 80.2 | Confident | 72.3 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 42% | 0.421 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.4 | -50.6 | 173 | -68.9 | 163.3 | 0 | 0 | 0 | 110.2 | P725 D726 T732 K733 L787 | P725-I729 WeakPolarHBondContact O-CG1 3.4Å; P725-I729 PolarHBondContact O-N 2.84Å; D726-I729 WeakPolarHBondContact O-CB 3.44Å; D726-I729 PolarHBondContact O-N 2.86Å; I729-T732 PolarHBondContact O-N 3.23Å; I729-K733 WeakPolarHBondContact O-CB 3.29Å; I729-K733 PolarHBondContact O-N 3.12Å; I729-L787 HydrophobicContact CD1-CD1 4.17Å; I729-L787 HydrophobicContact CD1-CD2 4.26Å; I729-L787 HydrophobicContact CD1-CG 4.44Å; I729-L787 HydrophobicContact CG1-CD1 3.93Å; I729-L787 HydrophobicContact CG1-CD2 3.85Å; I729-L787 HydrophobicContact CG1-CG 3.79Å |
| 730 | E | 77 | Confident | 72.8 | Confident | 19 Ų | 19 | 43 Ų | 43 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -38 | 179.9 | -175.8 | 58.2 | -153.3 | 0 | 0 | 111.8 | F652 D726 K733 Q734 | F652-E730 HydrophobicContact CE1-CG 4.2Å; D726-E730 PolarHBondContact O-N 3.04Å; E730-K733 PolarHBondContact O-N 2.88Å; E730-K733 IonicContact OE1-NZ 3.47Å; E730-K733 WeakPolarHBondContact OE2-CD 3.46Å; E730-K733 WeakPolarHBondContact OE2-CE 3.45Å; E730-K733 IonicContact OE2-NZ 2.76Å; E730-K733 PolarHBondContact OE2-NZ 2.94Å; E730-Q734 WeakPolarHBondContact O-CB 3.5Å; E730-Q734 WeakPolarHBondContact O-CG 3.26Å; E730-Q734 PolarHBondContact O-N 3.49Å; E730-Q734 WeakPolarHBondContact OE1-CG 3.41Å; E730-Q734 PolarHBondContact OE1-NE2 2.98Å |
| 731 | L | 82.2 | Confident | 73.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.5 | -48.7 | 170.4 | -83.2 | 164.5 | 0 | 0 | 0 | 111.9 | L727 L728 K733 Q734 L735 L749 L752 I756 | L727-L731 HydrophobicContact CG-CD1 4.19Å; L727-L731 WeakPolarHBondContact O-CB 3.44Å; L727-L731 WeakPolarHBondContact O-CD1 3.28Å; L727-L731 WeakPolarHBondContact O-CG 3.32Å; L727-L731 PolarHBondContact O-N 2.94Å; L728-L731 HydrophobicContact CD2-CD1 4.33Å; L731-K733 VanDerWaalsContact C-N 3.34Å; L731-K733 PolarHBondContact O-N 3.44Å; L731-Q734 PolarHBondContact O-N 3.46Å; L731-L735 VanDerWaalsContact O-CB 3.31Å; L731-L735 WeakPolarHBondContact O-CB 3.35Å; L731-L735 WeakPolarHBondContact O-CG 3.27Å; L731-L735 PolarHBondContact O-N 3.31Å; L731-L749 HydrophobicContact CD2-CB 3.73Å; L731-L749 HydrophobicContact CD2-CD2 3.55Å; L731-L749 HydrophobicContact CD2-CG 4.17Å; L731-L749 WeakPolarHBondContact CD2-O 3.48Å; L731-L752 HydrophobicContact CD1-CB 4.46Å; L731-L752 HydrophobicContact CD1-CD2 4.26Å; L731-L752 HydrophobicContact CD1-CG 4.1Å; L731-L752 HydrophobicContact CD2-CB 4.29Å; L731-L752 HydrophobicContact CD2-CD2 4.23Å; L731-L752 HydrophobicContact CD2-CG 4.49Å; L731-I756 HydrophobicContact CD1-CD1 3.66Å |
| 732 | T | 81.7 | Confident | 74.2 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 178.6 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | L728 I729 R736 N790 C791 V794 | L728-T732 VanDerWaalsContact O-CB 3.23Å; L728-T732 WeakPolarHBondContact O-CB 3.17Å; L728-T732 PolarHBondContact O-N 3.48Å; L728-T732 PolarHBondContact O-OG1 3.05Å; I729-T732 PolarHBondContact O-N 3.23Å; T732-R736 WeakPolarHBondContact O-CB 3.4Å; T732-R736 PolarHBondContact O-N 3.17Å; T732-N790 HydrophobicContact CG2-CB 3.9Å; T732-C791 PolarHBondContact OG1-SG 3.15Å; T732-V794 HydrophobicContact CG2-CG2 4.14Å |
| 733 | K | 81.6 | Confident | 75 | Confident | 111 Ų | 111 | 46 Ų | 46 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.2 | 174 | 178.8 | 151.4 | -146.4 | 0 | 111.9 | I729 E730 L731 R736 S737 | I729-K733 WeakPolarHBondContact O-CB 3.29Å; I729-K733 PolarHBondContact O-N 3.12Å; E730-K733 PolarHBondContact O-N 2.88Å; E730-K733 IonicContact OE1-NZ 3.47Å; E730-K733 WeakPolarHBondContact OE2-CD 3.46Å; E730-K733 WeakPolarHBondContact OE2-CE 3.45Å; E730-K733 IonicContact OE2-NZ 2.76Å; E730-K733 PolarHBondContact OE2-NZ 2.94Å; L731-K733 VanDerWaalsContact C-N 3.34Å; L731-K733 PolarHBondContact O-N 3.44Å; K733-R736 PolarHBondContact O-N 2.84Å; K733-S737 PolarHBondContact O-N 2.92Å |
| 734 | Q | 80.8 | Confident | 75.4 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 177 | -71.1 | -173.1 | 28.6 | 0 | 0 | 111.9 | E730 L731 R736 S737 L741 L749 | E730-Q734 WeakPolarHBondContact O-CB 3.5Å; E730-Q734 WeakPolarHBondContact O-CG 3.26Å; E730-Q734 PolarHBondContact O-N 3.49Å; E730-Q734 WeakPolarHBondContact OE1-CG 3.41Å; E730-Q734 PolarHBondContact OE1-NE2 2.98Å; L731-Q734 PolarHBondContact O-N 3.46Å; Q734-R736 VanDerWaalsContact C-N 3.31Å; Q734-R736 PolarHBondContact O-N 3.15Å; Q734-S737 PolarHBondContact O-N 3.34Å; Q734-S737 VanDerWaalsContact O-N 3.14Å; Q734-S737 PolarHBondContact O-OG 3.16Å; Q734-L741 HydrophobicContact CB-CD2 4.13Å; Q734-L749 HydrophobicContact CB-CD1 3.8Å |
| 735 | L | 81.4 | Confident | 75.9 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | 177.2 | -75.4 | 173.8 | 0 | 0 | 0 | 112.8 | L731 S737 R746 L749 V794 I798 | L731-L735 VanDerWaalsContact O-CB 3.31Å; L731-L735 WeakPolarHBondContact O-CB 3.35Å; L731-L735 WeakPolarHBondContact O-CG 3.27Å; L731-L735 PolarHBondContact O-N 3.31Å; L735-S737 VanDerWaalsContact C-N 3.28Å; L735-S737 PolarHBondContact O-N 3.38Å; L735-R746 HydrophobicContact CD2-CB 4.48Å; L735-L749 HydrophobicContact CD1-CB 4.3Å; L735-L749 HydrophobicContact CD2-CB 3.68Å; L735-L749 HydrophobicContact CD2-CD1 3.96Å; L735-L749 HydrophobicContact CD2-CG 4.48Å; L735-L749 HydrophobicContact CG-CB 3.91Å; L735-L749 HydrophobicContact CG-CD1 4.11Å; L735-V794 HydrophobicContact CB-CG1 3.55Å; L735-I798 HydrophobicContact CB-CD1 4.41Å; L735-I798 HydrophobicContact CD1-CD1 4.47Å; L735-I798 HydrophobicContact CD2-CD1 3.96Å |
| 736 | R | 81 | Confident | 76.6 | Confident | 146 Ų | 146 | 47.4 Ų | 47.4 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.7 | -22.7 | 175.5 | -169.3 | 174.4 | -66 | -173.2 | 2.9 | 113 | T732 K733 Q734 G738 N790 V794 | T732-R736 WeakPolarHBondContact O-CB 3.4Å; T732-R736 PolarHBondContact O-N 3.17Å; K733-R736 PolarHBondContact O-N 2.84Å; Q734-R736 VanDerWaalsContact C-N 3.31Å; Q734-R736 PolarHBondContact O-N 3.15Å; R736-G738 PolarHBondContact O-N 3.5Å; R736-N790 PolarHBondContact NH2-OD1 3.41Å; R736-V794 HydrophobicContact CB-CG2 4.31Å |
| 737 | S | 71.3 | Confident | 77.1 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -78.3 | 35.4 | 174.5 | 71.8 | 0 | 0 | 0 | 0 | 114.1 | K733 Q734 L735 S739 A740 L741 | K733-S737 PolarHBondContact O-N 2.92Å; Q734-S737 PolarHBondContact O-N 3.34Å; Q734-S737 VanDerWaalsContact O-N 3.14Å; Q734-S737 PolarHBondContact O-OG 3.16Å; L735-S737 VanDerWaalsContact C-N 3.28Å; L735-S737 PolarHBondContact O-N 3.38Å; S737-S739 PolarHBondContact O-N 3Å; S737-A740 PolarHBondContact O-N 3.24Å; S737-L741 WeakPolarHBondContact OG-CD1 3.33Å |
| 738 | G | 60.4 | Low | 77.5 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 27% | 0.268 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 3 | -156.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | R736 | R736-G738 PolarHBondContact O-N 3.5Š|
| 739 | S | 59.1 | Low | 77.9 | Confident | 125 Ų | 125 | 43.9 Ų | 43.9 | 87% | 0.874 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -17 | 171.3 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | S737 | S737-S739 PolarHBondContact O-N 3Š|
| 740 | A | 66.1 | Low | 78.3 | Confident | 80 Ų | 80 | 40 Ų | 40 | 66% | 0.661 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -19.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S737 | S737-A740 PolarHBondContact O-N 3.24Š|
| 741 | L | 74.3 | Confident | 78.7 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -99.5 | 134.7 | -174.7 | -86.7 | 63.8 | 0 | 0 | 0 | 111.9 | Q734 S737 V745 R746 L749 | Q734-L741 HydrophobicContact CB-CD2 4.13Å; S737-L741 WeakPolarHBondContact OG-CD1 3.33Å; L741-V745 HydrophobicContact CD2-CG1 3.94Å; L741-V745 HydrophobicContact CG-CG1 4.37Å; L741-R746 HydrophobicContact CB-CG 3.89Å; L741-L749 HydrophobicContact CD2-CD1 3.6Å |
| 742 | P | 79.3 | Confident | 78.9 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | trans | -56.9 | 145 | 169.5 | -23.6 | 33.4 | 0 | 0 | 0 | 112.3 | D744 V745 R746 | P742-D744 PolarHBondContact O-N 3.44Å; P742-D744 VanDerWaalsContact O-N 3.14Å; P742-V745 HydrophobicContact CB-CG2 4.3Å; P742-V745 HydrophobicContact CG-CG2 4.3Å; P742-V745 WeakPolarHBondContact O-CB 3.44Å; P742-V745 PolarHBondContact O-N 2.83Å; P742-R746 PolarHBondContact O-N 2.87Å | ||
| 743 | N | 81 | Confident | 79.3 | Confident | 60 Ų | 60 | 39.9 Ų | 39.9 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.6 | -30.4 | -178.2 | -83.5 | -19.7 | 0 | 0 | 0 | 113.5 | R746 T747 R805 L810 | N743-R746 PolarHBondContact O-N 2.79Å; N743-T747 WeakPolarHBondContact O-CB 3.41Å; N743-T747 PolarHBondContact O-N 3.2Å; N743-T747 PolarHBondContact O-OG1 2.9Å; N743-R805 PolarHBondContact ND2-O 3.35Å; N743-L810 WeakPolarHBondContact OD1-CD2 3.4Å |
| 744 | D | 77.2 | Confident | 79.6 | Confident | 62 Ų | 62 | 34.7 Ų | 34.7 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.1 | -51.3 | 171 | -69.8 | 16.1 | 0 | 0 | 0 | 111.9 | T684 P742 R746 T747 G748 S881 L883 | T684-D744 HydrophobicContact CG2-CB 4.27Å; P742-D744 PolarHBondContact O-N 3.44Å; P742-D744 VanDerWaalsContact O-N 3.14Å; D744-R746 PolarHBondContact O-N 2.71Å; D744-T747 WeakPolarHBondContact O-CB 3.36Å; D744-T747 PolarHBondContact O-N 3.17Å; D744-T747 VanDerWaalsContact O-N 3.13Å; D744-G748 PolarHBondContact O-N 2.99Å; D744-S881 WeakPolarHBondContact OD2-CB 3.24Å; D744-S881 PolarHBondContact OD2-OG 3.27Å; D744-L883 HydrophobicContact CB-CD1 4.33Å; D744-L883 WeakPolarHBondContact O-CD1 3.21Å |
| 745 | V | 81.2 | Confident | 79.8 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -48 | 178.1 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | T684 L687 L741 P742 T747 G748 L749 | T684-V745 HydrophobicContact CG2-CG2 3.8Å; L687-V745 HydrophobicContact CD2-CG1 4.13Å; L741-V745 HydrophobicContact CD2-CG1 3.94Å; L741-V745 HydrophobicContact CG-CG1 4.37Å; P742-V745 HydrophobicContact CB-CG2 4.3Å; P742-V745 HydrophobicContact CG-CG2 4.3Å; P742-V745 WeakPolarHBondContact O-CB 3.44Å; P742-V745 PolarHBondContact O-N 2.83Å; V745-T747 PolarHBondContact O-N 2.84Å; V745-G748 PolarHBondContact O-N 3.39Å; V745-G748 VanDerWaalsContact O-N 3.1Å; V745-L749 HydrophobicContact CG1-CD1 4.29Å; V745-L749 HydrophobicContact CG1-CG 4.36Å; V745-L749 VanDerWaalsContact O-CG 3.31Å; V745-L749 WeakPolarHBondContact O-CG 3.31Å; V745-L749 PolarHBondContact O-N 3.03Å |
| 746 | R | 85.1 | Confident | 80 | Confident | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.3 | -39.7 | 175.7 | -57.7 | 179.3 | 76.9 | -163.2 | 7.4 | 111.9 | L735 L741 P742 N743 D744 L749 C750 E801 L810 | L735-R746 HydrophobicContact CD2-CB 4.48Å; L741-R746 HydrophobicContact CB-CG 3.89Å; P742-R746 PolarHBondContact O-N 2.87Å; N743-R746 PolarHBondContact O-N 2.79Å; D744-R746 PolarHBondContact O-N 2.71Å; R746-L749 PolarHBondContact O-N 3.1Å; R746-C750 PolarHBondContact O-N 3.47Å; R746-C750 PolarHBondContact O-SG 3.16Å; R746-C750 VanDerWaalsContact O-SG 3.33Å; R746-E801 IonicContact CZ-OE1 3.49Å; R746-E801 IonicContact CZ-OE2 3.67Å; R746-E801 IonicContact NH1-OE1 3.41Å; R746-E801 PolarHBondContact NH1-OE1 3.32Å; R746-E801 IonicContact NH1-OE2 2.83Å; R746-E801 PolarHBondContact NH1-OE2 3.47Å; R746-E801 IonicContact NH2-OE1 3.82Å; R746-E801 PolarHBondContact NH2-OE1 2.8Å; R746-E801 IonicContact NH2-OE2 3.62Å; R746-L810 HydrophobicContact CB-CD1 3.62Å; R746-L810 HydrophobicContact CB-CD2 3.93Å; R746-L810 HydrophobicContact CB-CG 4.44Å |
| 747 | T | 84.8 | Confident | 80.3 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.3 | N743 D744 V745 C750 R751 L810 A813 | N743-T747 WeakPolarHBondContact O-CB 3.41Å; N743-T747 PolarHBondContact O-N 3.2Å; N743-T747 PolarHBondContact O-OG1 2.9Å; D744-T747 WeakPolarHBondContact O-CB 3.36Å; D744-T747 PolarHBondContact O-N 3.17Å; D744-T747 VanDerWaalsContact O-N 3.13Å; V745-T747 PolarHBondContact O-N 2.84Å; T747-C750 PolarHBondContact O-N 2.92Å; T747-R751 PolarHBondContact O-N 2.86Å; T747-L810 WeakPolarHBondContact OG1-CA 3.21Å; T747-A813 HydrophobicContact CG2-CB 3.85Å |
| 748 | G | 83.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | D744 V745 C750 R751 L752 | D744-G748 PolarHBondContact O-N 2.99Å; V745-G748 PolarHBondContact O-N 3.39Å; V745-G748 VanDerWaalsContact O-N 3.1Å; G748-C750 PolarHBondContact O-N 3.34Å; G748-R751 WeakPolarHBondContact O-CB 3.21Å; G748-R751 PolarHBondContact O-N 3.43Å; G748-L752 PolarHBondContact O-N 3.37Å |
| 749 | L | 87.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 176 | -62 | 174.9 | 0 | 0 | 0 | 111.2 | F652 L687 L731 Q734 L735 L741 V745 R746 L752 C753 | F652-L749 HydrophobicContact CE2-CD2 4.3Å; F652-L749 HydrophobicContact CZ-CD2 3.67Å; L687-L749 HydrophobicContact CD1-CD2 4.17Å; L687-L749 HydrophobicContact CD2-CD2 4.04Å; L687-L749 HydrophobicContact CD2-CG 4.22Å; L731-L749 HydrophobicContact CD2-CB 3.73Å; L731-L749 HydrophobicContact CD2-CD2 3.55Å; L731-L749 HydrophobicContact CD2-CG 4.17Å; L731-L749 WeakPolarHBondContact CD2-O 3.48Å; Q734-L749 HydrophobicContact CB-CD1 3.8Å; L735-L749 HydrophobicContact CD1-CB 4.3Å; L735-L749 HydrophobicContact CD2-CB 3.68Å; L735-L749 HydrophobicContact CD2-CD1 3.96Å; L735-L749 HydrophobicContact CD2-CG 4.48Å; L735-L749 HydrophobicContact CG-CB 3.91Å; L735-L749 HydrophobicContact CG-CD1 4.11Å; L741-L749 HydrophobicContact CD2-CD1 3.6Å; V745-L749 HydrophobicContact CG1-CD1 4.29Å; V745-L749 HydrophobicContact CG1-CG 4.36Å; V745-L749 VanDerWaalsContact O-CG 3.31Å; V745-L749 WeakPolarHBondContact O-CG 3.31Å; V745-L749 PolarHBondContact O-N 3.03Å; R746-L749 PolarHBondContact O-N 3.1Å; L749-L752 PolarHBondContact O-N 2.83Å; L749-C753 WeakPolarHBondContact O-CB 3.13Å; L749-C753 PolarHBondContact O-N 2.7Å |
| 750 | C | 87.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 171.9 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | R746 T747 G748 C753 S754 A813 A817 | R746-C750 PolarHBondContact O-N 3.47Å; R746-C750 PolarHBondContact O-SG 3.16Å; R746-C750 VanDerWaalsContact O-SG 3.33Å; T747-C750 PolarHBondContact O-N 2.92Å; G748-C750 PolarHBondContact O-N 3.34Å; C750-C753 PolarHBondContact O-N 2.73Å; C750-S754 PolarHBondContact O-N 2.78Å; C750-A813 HydrophobicContact CB-CB 3.86Å; C750-A817 HydrophobicContact CB-CB 4.48Å |
| 751 | R | 86.5 | Confident | 83.5 | Confident | 29 Ų | 29 | 16.8 Ų | 16.8 | 11% | 0.109 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 175.3 | -77.5 | -175.6 | 166.5 | 131.5 | 12.2 | 112.8 | W612 I691 T747 G748 S754 L755 L883 D887 | W612-R751 HydrophobicContact CH2-CB 3.61Å; W612-R751 HydrophobicContact CH2-CG 3.62Å; W612-R751 HydrophobicContact CZ2-CB 4.49Å; W612-R751 HydrophobicContact CZ2-CG 4.08Å; W612-R751 HydrophobicContact CZ3-CB 3.89Å; W612-R751 HydrophobicContact CZ3-CG 4.36Å; I691-R751 HydrophobicContact CD1-CB 4.11Å; T747-R751 PolarHBondContact O-N 2.86Å; G748-R751 WeakPolarHBondContact O-CB 3.21Å; G748-R751 PolarHBondContact O-N 3.43Å; R751-S754 PolarHBondContact O-OG 3.01Å; R751-S754 VanDerWaalsContact O-OG 3.13Å; R751-L755 WeakPolarHBondContact O-CB 3.45Å; R751-L755 PolarHBondContact O-N 3.06Å; R751-L755 VanDerWaalsContact O-N 3.14Å; R751-L883 PolarHBondContact NH1-O 3.24Å; R751-D887 IonicContact CZ-OD1 2.95Å; R751-D887 VanDerWaalsContact CZ-OD1 3.24Å; R751-D887 IonicContact NH1-OD1 3Å; R751-D887 PolarHBondContact NH1-OD1 3.09Å; R751-D887 IonicContact NH2-OD1 3.2Å; R751-D887 PolarHBondContact NH2-OD1 2.9Å |
| 752 | L | 86.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.2 | -38.2 | 176.5 | -172.3 | 58.5 | 0 | 0 | 0 | 111.5 | L687 L690 I691 L727 L731 G748 L749 L755 I756 | L687-L752 HydrophobicContact CD1-CD2 3.98Å; L690-L752 HydrophobicContact CD2-CD2 3.63Å; L690-L752 HydrophobicContact CG-CD1 4.41Å; L690-L752 HydrophobicContact CG-CD2 4.15Å; I691-L752 HydrophobicContact CG1-CB 4.08Å; I691-L752 HydrophobicContact CG1-CD1 4.13Å; L727-L752 HydrophobicContact CD1-CD2 4.31Å; L727-L752 HydrophobicContact CD2-CD2 4.36Å; L727-L752 HydrophobicContact CG-CD2 4.49Å; L731-L752 HydrophobicContact CD1-CB 4.46Å; L731-L752 HydrophobicContact CD1-CD2 4.26Å; L731-L752 HydrophobicContact CD1-CG 4.1Å; L731-L752 HydrophobicContact CD2-CB 4.29Å; L731-L752 HydrophobicContact CD2-CD2 4.23Å; L731-L752 HydrophobicContact CD2-CG 4.49Å; G748-L752 PolarHBondContact O-N 3.37Å; L749-L752 PolarHBondContact O-N 2.83Å; L752-L755 HydrophobicContact CD1-CD2 4.3Å; L752-L755 PolarHBondContact O-N 3.41Å; L752-I756 HydrophobicContact CD1-CD1 4.14Å; L752-I756 HydrophobicContact CD1-CG1 4.39Å; L752-I756 HydrophobicContact CG-CD1 3.89Å; L752-I756 WeakPolarHBondContact O-CD1 3.49Å; L752-I756 VanDerWaalsContact O-CG1 3.25Å; L752-I756 WeakPolarHBondContact O-CG1 3.39Å; L752-I756 PolarHBondContact O-N 3.43Å |
| 753 | C | 88.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.02 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 174.3 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | L749 C750 S757 | L749-C753 WeakPolarHBondContact O-CB 3.13Å; L749-C753 PolarHBondContact O-N 2.7Å; C750-C753 PolarHBondContact O-N 2.73Å; C753-S757 WeakPolarHBondContact O-CB 3.15Å; C753-S757 PolarHBondContact O-N 3.17Å; C753-S757 PolarHBondContact O-OG 3.43Å |
| 754 | S | 87.8 | Confident | 83.2 | Confident | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.5 | -46.2 | 176.8 | 78.8 | 0 | 0 | 0 | 0 | 111.7 | Y609 C750 R751 I756 S757 Y758 | Y609-S754 WeakPolarHBondContact OH-CB 3.44Å; Y609-S754 PolarHBondContact OH-O 2.88Å; Y609-S754 PolarHBondContact OH-OG 3.13Å; C750-S754 PolarHBondContact O-N 2.78Å; R751-S754 PolarHBondContact O-OG 3.01Å; R751-S754 VanDerWaalsContact O-OG 3.13Å; S754-I756 PolarHBondContact O-N 2.68Å; S754-S757 PolarHBondContact O-N 3.08Å; S754-Y758 WeakPolarHBondContact O-CB 3.43Å; S754-Y758 PolarHBondContact O-N 3.23Å |
| 755 | L | 86.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -55.4 | -47.5 | 177.3 | -175.2 | 71.3 | 0 | 0 | 0 | 112.2 | Y609 W612 M694 R751 L752 Y759 | Y609-L755 HydrophobicContact CD1-CD1 3.4Å; Y609-L755 HydrophobicContact CD2-CD1 4.14Å; Y609-L755 HydrophobicContact CE1-CB 4.06Å; Y609-L755 HydrophobicContact CE1-CD1 3.74Å; Y609-L755 HydrophobicContact CE2-CD1 4.45Å; Y609-L755 HydrophobicContact CG-CD1 3.61Å; Y609-L755 PolarHBondContact OH-N 2.93Å; W612-L755 HydrophobicContact CZ3-CB 4.39Å; M694-L755 HydrophobicContact CB-CD2 3.64Å; R751-L755 WeakPolarHBondContact O-CB 3.45Å; R751-L755 PolarHBondContact O-N 3.06Å; R751-L755 VanDerWaalsContact O-N 3.14Å; L752-L755 HydrophobicContact CD1-CD2 4.3Å; L752-L755 PolarHBondContact O-N 3.41Å; L755-Y759 HydrophobicContact CD1-CD2 4.33Å; L755-Y759 HydrophobicContact CD1-CE2 3.46Å; L755-Y759 VanDerWaalsContact CD1-CE2 3.46Å; L755-Y759 HydrophobicContact CD2-CE2 4.26Å; L755-Y759 HydrophobicContact CG-CD2 4.09Å; L755-Y759 HydrophobicContact CG-CE2 3.55Å; L755-Y759 WeakPolarHBondContact O-CD2 3.42Å; L755-Y759 PolarHBondContact O-N 2.98Å; L755-Y759 VanDerWaalsContact O-N 3.16Å |
| 756 | I | 84.7 | Confident | 82.3 | Confident | 4 Ų | 4 | 11 Ų | 11 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -66.3 | -44.3 | 178.2 | -66.5 | 163.3 | 0 | 0 | 0 | 111.3 | A724 L727 L728 L731 L752 S754 Y758 Y759 I760 | A724-I756 HydrophobicContact CB-CG2 3.82Å; L727-I756 HydrophobicContact CB-CD1 4.38Å; L727-I756 HydrophobicContact CD2-CD1 3.59Å; L727-I756 HydrophobicContact CG-CD1 3.76Å; L728-I756 HydrophobicContact CD1-CG2 3.91Å; L728-I756 HydrophobicContact CD2-CB 4.42Å; L728-I756 HydrophobicContact CD2-CG2 4.05Å; L728-I756 HydrophobicContact CG-CG2 3.88Å; L731-I756 HydrophobicContact CD1-CD1 3.66Å; L752-I756 HydrophobicContact CD1-CD1 4.14Å; L752-I756 HydrophobicContact CD1-CG1 4.39Å; L752-I756 HydrophobicContact CG-CD1 3.89Å; L752-I756 WeakPolarHBondContact O-CD1 3.49Å; L752-I756 VanDerWaalsContact O-CG1 3.25Å; L752-I756 WeakPolarHBondContact O-CG1 3.39Å; L752-I756 PolarHBondContact O-N 3.43Å; S754-I756 PolarHBondContact O-N 2.68Å; I756-Y758 VanDerWaalsContact C-N 3.31Å; I756-Y758 PolarHBondContact O-N 3.33Å; I756-Y759 PolarHBondContact O-N 3.44Å; I756-I760 HydrophobicContact CG2-CD1 3.67Å; I756-I760 HydrophobicContact CG2-CG1 4.33Å; I756-I760 WeakPolarHBondContact O-CG1 3.4Å; I756-I760 PolarHBondContact O-N 2.63Å |
| 757 | S | 86.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | -179.4 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | C753 S754 I760 A761 V821 C824 | C753-S757 WeakPolarHBondContact O-CB 3.15Å; C753-S757 PolarHBondContact O-N 3.17Å; C753-S757 PolarHBondContact O-OG 3.43Å; S754-S757 PolarHBondContact O-N 3.08Å; S757-I760 PolarHBondContact O-N 3.03Å; S757-A761 WeakPolarHBondContact O-CB 3.23Å; S757-A761 PolarHBondContact O-N 3.11Å; S757-V821 WeakPolarHBondContact OG-CG2 3.13Å; S757-C824 WeakPolarHBondContact O-CB 2.54Å; S757-C824 PolarHBondContact O-SG 3.2Å |
| 758 | Y | 85.3 | Confident | 80.4 | Confident | 33 Ų | 33 | 12.5 Ų | 12.5 | 13% | 0.129 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.3 | 173.5 | -102.7 | 0 | 0 | 0 | 112.8 | P603 P605 Y609 S754 I756 A761 L762 | P603-Y758 HydrophobicContact CB-CE2 4.41Å; P603-Y758 HydrophobicContact CG-CE2 4.35Å; P605-Y758 HydrophobicContact CB-CD1 4.49Å; P605-Y758 HydrophobicContact CB-CD2 3.85Å; P605-Y758 HydrophobicContact CB-CE1 4.24Å; P605-Y758 HydrophobicContact CB-CE2 3.57Å; P605-Y758 HydrophobicContact CB-CG 4.31Å; P605-Y758 HydrophobicContact CG-CE2 4.08Å; Y609-Y758 AromaticContact CD2-CD1 3.74Å; Y609-Y758 HydrophobicContact CD2-CD1 3.74Å; Y609-Y758 HydrophobicContact CD2-CE1 4.02Å; Y609-Y758 HydrophobicContact CD2-CG 4.22Å; Y609-Y758 AromaticContact CE2-CD1 3.63Å; Y609-Y758 HydrophobicContact CE2-CD1 3.63Å; Y609-Y758 HydrophobicContact CE2-CD2 4.32Å; Y609-Y758 HydrophobicContact CE2-CE1 4.29Å; Y609-Y758 AromaticContact CE2-CG 3.65Å; Y609-Y758 HydrophobicContact CE2-CG 3.65Å; S754-Y758 WeakPolarHBondContact O-CB 3.43Å; S754-Y758 PolarHBondContact O-N 3.23Å; I756-Y758 VanDerWaalsContact C-N 3.31Å; I756-Y758 PolarHBondContact O-N 3.33Å; Y758-A761 WeakPolarHBondContact O-CB 3.48Å; Y758-A761 PolarHBondContact O-N 2.97Å; Y758-L762 HydrophobicContact CD1-CD1 4.1Å; Y758-L762 HydrophobicContact CE1-CD1 3.45Å; Y758-L762 VanDerWaalsContact CE1-CD1 3.45Å; Y758-L762 HydrophobicContact CE1-CG 4.35Å; Y758-L762 HydrophobicContact CE2-CD1 4.32Å; Y758-L762 HydrophobicContact CE2-CG 4.43Å; Y758-L762 PolarHBondContact O-N 2.89Å |
| 759 | Y | 79.9 | Confident | 79.3 | Confident | 21 Ų | 21 | 16.1 Ų | 16.1 | 8% | 0.082 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 177.7 | -67.6 | -41.9 | 0 | 0 | 0 | 113 | M694 N698 L755 I756 L762 F763 | M694-Y759 PolarHBondContact O-OH 3Å; N698-Y759 HydrophobicContact CB-CE1 3.77Å; N698-Y759 HydrophobicContact CB-CE2 4.44Å; N698-Y759 WeakPolarHBondContact CB-OH 3.3Å; N698-Y759 WeakPolarHBondContact ND2-CE2 3.44Å; L755-Y759 HydrophobicContact CD1-CD2 4.33Å; L755-Y759 HydrophobicContact CD1-CE2 3.46Å; L755-Y759 VanDerWaalsContact CD1-CE2 3.46Å; L755-Y759 HydrophobicContact CD2-CE2 4.26Å; L755-Y759 HydrophobicContact CG-CD2 4.09Å; L755-Y759 HydrophobicContact CG-CE2 3.55Å; L755-Y759 WeakPolarHBondContact O-CD2 3.42Å; L755-Y759 PolarHBondContact O-N 2.98Å; L755-Y759 VanDerWaalsContact O-N 3.16Å; I756-Y759 PolarHBondContact O-N 3.44Å; Y759-L762 HydrophobicContact CD1-CD1 4.26Å; Y759-L762 PolarHBondContact O-N 3.4Å; Y759-F763 WeakPolarHBondContact O-CB 3.25Å; Y759-F763 PolarHBondContact O-N 3.49Å |
| 760 | I | 80.2 | Confident | 77.8 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 172.6 | -66.2 | 168.6 | 0 | 0 | 0 | 110.5 | A724 L728 I756 S757 L762 F763 L764 F788 C824 | A724-I760 HydrophobicContact CB-CD1 4.09Å; L728-I760 HydrophobicContact CD1-CD1 3.85Å; I756-I760 HydrophobicContact CG2-CD1 3.67Å; I756-I760 HydrophobicContact CG2-CG1 4.33Å; I756-I760 WeakPolarHBondContact O-CG1 3.4Å; I756-I760 PolarHBondContact O-N 2.63Å; S757-I760 PolarHBondContact O-N 3.03Å; I760-L762 PolarHBondContact O-N 3.05Å; I760-F763 PolarHBondContact O-N 2.72Å; I760-L764 HydrophobicContact CG2-CD1 3.82Å; I760-L764 HydrophobicContact CG2-CG 4.25Å; I760-L764 VanDerWaalsContact O-CG 3.25Å; I760-L764 WeakPolarHBondContact O-CG 3.11Å; I760-L764 PolarHBondContact O-N 2.84Å; I760-F788 HydrophobicContact CD1-CZ 3.85Å; I760-F788 HydrophobicContact CG2-CE2 4.47Å; I760-F788 HydrophobicContact CG2-CZ 4.31Å; I760-C824 VanDerWaalsContact CG2-SG 3.57Å |
| 761 | A | 80 | Confident | 76.1 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P603 S757 Y758 I765 C824 | P603-A761 HydrophobicContact CG-CB 4.32Å; S757-A761 WeakPolarHBondContact O-CB 3.23Å; S757-A761 PolarHBondContact O-N 3.11Å; Y758-A761 WeakPolarHBondContact O-CB 3.48Å; Y758-A761 PolarHBondContact O-N 2.97Å; A761-I765 WeakPolarHBondContact O-CD1 3.5Å; A761-I765 WeakPolarHBondContact O-CG1 3.34Å; A761-I765 PolarHBondContact O-N 2.8Å; A761-C824 HydrophobicContact CB-CB 4.15Å |
| 762 | L | 77 | Confident | 74.3 | Confident | 41 Ų | 41 | 29.9 Ų | 29.9 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -50.1 | 173.4 | -76.6 | 171.4 | 0 | 0 | 0 | 112 | P603 Y758 Y759 I760 L764 I765 Q766 | P603-L762 HydrophobicContact CG-CD2 3.88Å; P603-L762 HydrophobicContact CG-CG 4.16Å; Y758-L762 HydrophobicContact CD1-CD1 4.1Å; Y758-L762 HydrophobicContact CE1-CD1 3.45Å; Y758-L762 VanDerWaalsContact CE1-CD1 3.45Å; Y758-L762 HydrophobicContact CE1-CG 4.35Å; Y758-L762 HydrophobicContact CE2-CD1 4.32Å; Y758-L762 HydrophobicContact CE2-CG 4.43Å; Y758-L762 PolarHBondContact O-N 2.89Å; Y759-L762 HydrophobicContact CD1-CD1 4.26Å; Y759-L762 PolarHBondContact O-N 3.4Å; I760-L762 PolarHBondContact O-N 3.05Å; L762-L764 PolarHBondContact O-N 3.41Å; L762-I765 PolarHBondContact O-N 3.17Å; L762-I765 VanDerWaalsContact O-N 3.11Å; L762-Q766 WeakPolarHBondContact O-CG 3.48Å; L762-Q766 PolarHBondContact O-N 2.8Å |
| 763 | F | 74.9 | Confident | 72.3 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | -177.8 | 178.5 | -115.6 | 0 | 0 | 0 | 112.2 | I714 L718 I721 Y759 I760 I765 Q766 L767 I780 | I714-F763 HydrophobicContact CG2-CE2 4.42Å; L718-F763 HydrophobicContact CD2-CE1 4.13Å; L718-F763 HydrophobicContact CD2-CE2 3.71Å; L718-F763 HydrophobicContact CD2-CZ 3.46Å; L718-F763 VanDerWaalsContact CD2-CZ 3.46Å; L718-F763 HydrophobicContact CG-CE2 4.03Å; L718-F763 HydrophobicContact CG-CZ 4.18Å; I721-F763 HydrophobicContact CD1-CB 4.04Å; I721-F763 HydrophobicContact CD1-CD2 4.37Å; I721-F763 HydrophobicContact CD1-CG 4.16Å; I721-F763 HydrophobicContact CG2-CD1 4.28Å; Y759-F763 WeakPolarHBondContact O-CB 3.25Å; Y759-F763 PolarHBondContact O-N 3.49Å; I760-F763 PolarHBondContact O-N 2.72Å; F763-I765 VanDerWaalsContact C-N 3.27Å; F763-I765 PolarHBondContact O-N 2.79Å; F763-Q766 PolarHBondContact O-N 2.87Å; F763-L767 HydrophobicContact CD1-CD1 3.62Å; F763-L767 HydrophobicContact CD1-CG 4.47Å; F763-L767 HydrophobicContact CD2-CD1 4.31Å; F763-L767 HydrophobicContact CD2-CG 4.33Å; F763-L767 HydrophobicContact CE1-CD1 3.27Å; F763-L767 HydrophobicContact CE1-CG 4.19Å; F763-L767 HydrophobicContact CE2-CD1 4.01Å; F763-L767 HydrophobicContact CE2-CD2 4.13Å; F763-L767 HydrophobicContact CE2-CG 4.03Å; F763-L767 HydrophobicContact CG-CD1 4.12Å; F763-L767 HydrophobicContact CZ-CD1 3.48Å; F763-L767 VanDerWaalsContact CZ-CD1 3.48Å; F763-L767 HydrophobicContact CZ-CD2 4Å; F763-L767 HydrophobicContact CZ-CG 3.95Å; F763-L767 WeakPolarHBondContact O-CB 3.32Å; F763-L767 VanDerWaalsContact O-CG 3.27Å; F763-L767 WeakPolarHBondContact O-CG 3.31Å; F763-L767 PolarHBondContact O-N 3.44Å; F763-I780 HydrophobicContact CE1-CD1 3.71Å; F763-I780 HydrophobicContact CZ-CD1 4.4Å |
| 764 | L | 75.2 | Confident | 70.4 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -34.5 | 176 | -71.6 | 165.8 | 0 | 0 | 0 | 113 | I760 L762 N768 C827 L828 Y831 | I760-L764 HydrophobicContact CG2-CD1 3.82Å; I760-L764 HydrophobicContact CG2-CG 4.25Å; I760-L764 VanDerWaalsContact O-CG 3.25Å; I760-L764 WeakPolarHBondContact O-CG 3.11Å; I760-L764 PolarHBondContact O-N 2.84Å; L762-L764 PolarHBondContact O-N 3.41Å; L764-N768 VanDerWaalsContact O-CG 3.25Å; L764-N768 PolarHBondContact O-N 3.21Å; L764-N768 PolarHBondContact O-ND2 2.9Å; L764-C827 HydrophobicContact CB-CB 4.23Å; L764-C827 HydrophobicContact CD1-CB 4.03Å; L764-L828 HydrophobicContact CD1-CD2 3.54Å; L764-L828 HydrophobicContact CD1-CG 3.63Å; L764-L828 HydrophobicContact CD2-CD2 3.91Å; L764-L828 HydrophobicContact CG-CD2 4.39Å; L764-Y831 HydrophobicContact CD2-CD1 4.27Å; L764-Y831 HydrophobicContact CD2-CD2 4.22Å; L764-Y831 HydrophobicContact CD2-CG 3.9Å |
| 765 | I | 72.2 | Confident | 68.7 | Low | 15 Ų | 15 | 50.6 Ų | 50.6 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75 | -41.2 | 178.4 | -65.1 | 161.7 | 0 | 0 | 0 | 110.8 | W601 P603 A761 L762 F763 L767 N768 Q769 | W601-I765 HydrophobicContact CE3-CD1 3.9Å; W601-I765 HydrophobicContact CH2-CD1 4.38Å; W601-I765 HydrophobicContact CZ3-CD1 3.49Å; W601-I765 VanDerWaalsContact CZ3-CD1 3.49Å; W601-I765 HydrophobicContact CZ3-CG1 4.4Å; P603-I765 HydrophobicContact CG-CD1 4.1Å; A761-I765 WeakPolarHBondContact O-CD1 3.5Å; A761-I765 WeakPolarHBondContact O-CG1 3.34Å; A761-I765 PolarHBondContact O-N 2.8Å; L762-I765 PolarHBondContact O-N 3.17Å; L762-I765 VanDerWaalsContact O-N 3.11Å; F763-I765 VanDerWaalsContact C-N 3.27Å; F763-I765 PolarHBondContact O-N 2.79Å; I765-L767 VanDerWaalsContact C-N 3.35Å; I765-N768 WeakPolarHBondContact O-CB 3.35Å; I765-N768 PolarHBondContact O-N 3.24Å; I765-Q769 PolarHBondContact O-N 2.95Å |
| 766 | Q | 67.6 | Low | 66.9 | Low | 57 Ų | 57 | 53.3 Ų | 53.3 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.2 | -66 | 175.8 | -74.7 | 0 | 0 | 111.9 | L762 F763 N768 Q769 | L762-Q766 WeakPolarHBondContact O-CG 3.48Å; L762-Q766 PolarHBondContact O-N 2.8Å; F763-Q766 PolarHBondContact O-N 2.87Å; Q766-N768 VanDerWaalsContact C-N 3.31Å; Q766-N768 PolarHBondContact O-N 3.25Å; Q766-Q769 WeakPolarHBondContact O-CB 3.35Å; Q766-Q769 PolarHBondContact O-N 2.85Å |
| 767 | L | 66.3 | Low | 65.1 | Low | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 174.2 | -72.6 | 168.4 | 0 | 0 | 0 | 112.8 | F763 I765 Q769 C770 L777 | F763-L767 HydrophobicContact CD1-CD1 3.62Å; F763-L767 HydrophobicContact CD1-CG 4.47Å; F763-L767 HydrophobicContact CD2-CD1 4.31Å; F763-L767 HydrophobicContact CD2-CG 4.33Å; F763-L767 HydrophobicContact CE1-CD1 3.27Å; F763-L767 HydrophobicContact CE1-CG 4.19Å; F763-L767 HydrophobicContact CE2-CD1 4.01Å; F763-L767 HydrophobicContact CE2-CD2 4.13Å; F763-L767 HydrophobicContact CE2-CG 4.03Å; F763-L767 HydrophobicContact CG-CD1 4.12Å; F763-L767 HydrophobicContact CZ-CD1 3.48Å; F763-L767 VanDerWaalsContact CZ-CD1 3.48Å; F763-L767 HydrophobicContact CZ-CD2 4Å; F763-L767 HydrophobicContact CZ-CG 3.95Å; F763-L767 WeakPolarHBondContact O-CB 3.32Å; F763-L767 VanDerWaalsContact O-CG 3.27Å; F763-L767 WeakPolarHBondContact O-CG 3.31Å; F763-L767 PolarHBondContact O-N 3.44Å; I765-L767 VanDerWaalsContact C-N 3.35Å; L767-Q769 PolarHBondContact O-N 2.85Å; L767-Q769 VanDerWaalsContact O-N 3.17Å; L767-C770 PolarHBondContact O-N 3.35Å; L767-L777 HydrophobicContact CB-CD1 4.49Å; L767-L777 HydrophobicContact CD1-CD1 3.77Å; L767-L777 HydrophobicContact CD1-CD2 3.68Å; L767-L777 HydrophobicContact CD1-CG 3.96Å; L767-L777 HydrophobicContact CD2-CD1 3.81Å; L767-L777 HydrophobicContact CD2-CG 4.46Å; L767-L777 HydrophobicContact CG-CD1 4.24Å |
| 768 | N | 63.9 | Low | 63.5 | Low | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.3 | 174.4 | -76.2 | -34.5 | 0 | 0 | 0 | 113.4 | L764 I765 Q766 R834 | L764-N768 VanDerWaalsContact O-CG 3.25Å; L764-N768 PolarHBondContact O-N 3.21Å; L764-N768 PolarHBondContact O-ND2 2.9Å; I765-N768 WeakPolarHBondContact O-CB 3.35Å; I765-N768 PolarHBondContact O-N 3.24Å; Q766-N768 VanDerWaalsContact C-N 3.31Å; Q766-N768 PolarHBondContact O-N 3.25Å; N768-R834 PolarHBondContact O-NH1 2.66Å; N768-R834 WeakPolarHBondContact OD1-CD 3.36Å |
| 769 | Q | 61.1 | Low | 61.8 | Low | 76 Ų | 76 | 63.8 Ų | 63.8 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -3.7 | 176 | -63.4 | 173 | -10.9 | 0 | 0 | 113.4 | N599 I765 Q766 L767 | N599-Q769 PolarHBondContact O-NE2 3.27Å; I765-Q769 PolarHBondContact O-N 2.95Å; Q766-Q769 WeakPolarHBondContact O-CB 3.35Å; Q766-Q769 PolarHBondContact O-N 2.85Å; L767-Q769 PolarHBondContact O-N 2.85Å; L767-Q769 VanDerWaalsContact O-N 3.17Å |
| 770 | C | 54.7 | Low | 60.7 | Low | 67 Ų | 67 | 63.3 Ų | 63.3 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | trans | -109 | 112.4 | -179.8 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | L767 S772 | L767-C770 PolarHBondContact O-N 3.35Å; C770-S772 VanDerWaalsContact C-N 3.27Å; C770-S772 PolarHBondContact O-N 3.03Å | ||
| 771 | E | 51.7 | Low | 59.4 | Low | 198 Ų | 198 | 63.5 Ų | 63.5 | 93% | 0.925 | 33% | 0.332 | S | S | * | . | trans | -80.8 | -1.7 | 179.9 | -61.2 | -173.1 | 137.5 | 0 | 0 | 114 | D773 | E771-D773 PolarHBondContact O-N 3.16Š| ||
| 772 | S | 49.7 | Very low | 58.2 | Low | 54 Ų | 54 | 69.7 Ų | 69.7 | 38% | 0.378 | 36% | 0.36 | S | S | . | . | trans | -79 | 112 | -175.6 | 58 | 0 | 0 | 0 | 0 | 113.3 | M712 C770 K774 | M712-S772 VanDerWaalsContact CE-CB 3.47Å; C770-S772 VanDerWaalsContact C-N 3.27Å; C770-S772 PolarHBondContact O-N 3.03Å; S772-K774 PolarHBondContact O-N 2.83Å | ||
| 773 | D | 44 | Very low | 57.3 | Low | 133 Ų | 133 | 69.3 Ų | 69.3 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | trans | -68.6 | 115.2 | 168.4 | -81 | -39.9 | 0 | 0 | 0 | 112.1 | E771 | E771-D773 PolarHBondContact O-N 3.16Š| ||
| 774 | K | 49.5 | Very low | 56.7 | Low | 172 Ų | 172 | 69.2 Ų | 69.2 | 75% | 0.748 | 36% | 0.361 | S | S | * | . | trans | 172.8 | 112.5 | 140.5 | -92.9 | 149 | -167.4 | 172.5 | 0 | 112.5 | S772 P776 | S772-K774 PolarHBondContact O-N 2.83Å; K774-P776 VanDerWaalsContact C-CD 3.42Å; K774-P776 WeakPolarHBondContact O-CD 3.33Å | ||
| 775 | D | 51.4 | Low | 56.1 | Low | 134 Ų | 134 | 69.2 Ų | 69.2 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 87.3 | -36.1 | 135.8 | -51.3 | -28.7 | 0 | 0 | 0 | 126.8 | L777 | D775-L777 PolarHBondContact O-N 2.73Š|
| 776 | P | 48.2 | Very low | 55.9 | Low | 57 Ų | 57 | 70.8 Ų | 70.8 | 37% | 0.37 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -4.7 | -169.8 | 30.6 | -38.4 | 0 | 0 | 0 | 114.9 | K774 | K774-P776 VanDerWaalsContact C-CD 3.42Å; K774-P776 WeakPolarHBondContact O-CD 3.33Å |
| 777 | L | 48.3 | Very low | 56.2 | Low | 18 Ų | 18 | 68.7 Ų | 68.7 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -20.6 | -163.6 | -99.9 | 158 | 0 | 0 | 0 | 115.8 | L767 D775 L779 I780 S781 Y831 | L767-L777 HydrophobicContact CB-CD1 4.49Å; L767-L777 HydrophobicContact CD1-CD1 3.77Å; L767-L777 HydrophobicContact CD1-CD2 3.68Å; L767-L777 HydrophobicContact CD1-CG 3.96Å; L767-L777 HydrophobicContact CD2-CD1 3.81Å; L767-L777 HydrophobicContact CD2-CG 4.46Å; L767-L777 HydrophobicContact CG-CD1 4.24Å; D775-L777 PolarHBondContact O-N 2.73Å; L777-L779 PolarHBondContact O-N 3.4Å; L777-I780 PolarHBondContact O-N 3.02Å; L777-I780 VanDerWaalsContact O-N 3.16Å; L777-S781 WeakPolarHBondContact O-CB 3.46Å; L777-S781 PolarHBondContact O-N 3.03Å; L777-S781 PolarHBondContact O-OG 3.31Å; L777-Y831 HydrophobicContact CD1-CE2 3.91Å; L777-Y831 WeakPolarHBondContact CD1-OH 3.45Å; L777-Y831 HydrophobicContact CD2-CE1 4.42Å; L777-Y831 HydrophobicContact CD2-CE2 4.17Å |
| 778 | N | 51.9 | Low | 56.8 | Low | 116 Ų | 116 | 67.8 Ų | 67.8 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.7 | -25.9 | -179.6 | -74.2 | -14.5 | 0 | 0 | 0 | 112.9 | ||
| 779 | L | 49.8 | Very low | 57.6 | Low | 124 Ų | 124 | 67.4 Ų | 67.4 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.6 | -31 | 178 | -155.7 | 73.9 | 0 | 0 | 0 | 112.9 | L777 S783 | L777-L779 PolarHBondContact O-N 3.4Å; L779-S783 PolarHBondContact O-OG 3.49Å |
| 780 | I | 56.2 | Low | 58.6 | Low | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -98.6 | -38.9 | -174.2 | -61.4 | 172.6 | 0 | 0 | 0 | 111 | L718 I721 F763 L777 S783 T784 | L718-I780 HydrophobicContact CD2-CD1 4.45Å; I721-I780 HydrophobicContact CG2-CD1 4.2Å; F763-I780 HydrophobicContact CE1-CD1 3.71Å; F763-I780 HydrophobicContact CZ-CD1 4.4Å; L777-I780 PolarHBondContact O-N 3.02Å; L777-I780 VanDerWaalsContact O-N 3.16Å; I780-S783 PolarHBondContact O-OG 3.42Å; I780-T784 HydrophobicContact CG2-CG2 3.86Å; I780-T784 WeakPolarHBondContact O-CB 3.39Å; I780-T784 VanDerWaalsContact O-CG2 3.28Å; I780-T784 WeakPolarHBondContact O-CG2 3.48Å; I780-T784 PolarHBondContact O-N 3.06Å; I780-T784 PolarHBondContact O-OG1 2.66Å |
| 781 | S | 54.2 | Low | 60 | Low | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -45 | -173 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | L777 | L777-S781 WeakPolarHBondContact O-CB 3.46Å; L777-S781 PolarHBondContact O-N 3.03Å; L777-S781 PolarHBondContact O-OG 3.31Å |
| 782 | H | 55.2 | Low | 61.6 | Low | 130 Ų | 130 | 54.5 Ų | 54.5 | 60% | 0.602 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -77.6 | -23.4 | -172.6 | -79.1 | -75.7 | 0 | 0 | 0 | 114.1 | ||
| 783 | S | 57.6 | Low | 63.4 | Low | 34 Ų | 34 | 54.2 Ų | 54.2 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -87.8 | -56 | 177.7 | 55.1 | 0 | 0 | 0 | 0 | 111.6 | L779 I780 G785 S786 L787 | L779-S783 PolarHBondContact O-OG 3.49Å; I780-S783 PolarHBondContact O-OG 3.42Å; S783-G785 PolarHBondContact O-N 2.92Å; S783-G785 VanDerWaalsContact O-N 3.15Å; S783-S786 PolarHBondContact O-N 3.11Å; S783-S786 PolarHBondContact O-OG 3.32Å; S783-L787 WeakPolarHBondContact O-CD1 3.33Å |
| 784 | T | 60.9 | Low | 65.4 | Low | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -33.7 | -159.3 | 50.6 | 0 | 0 | 0 | 0 | 116 | P725 I780 S786 L787 F788 | P725-T784 HydrophobicContact CG-CG2 4.19Å; I780-T784 HydrophobicContact CG2-CG2 3.86Å; I780-T784 WeakPolarHBondContact O-CB 3.39Å; I780-T784 VanDerWaalsContact O-CG2 3.28Å; I780-T784 WeakPolarHBondContact O-CG2 3.48Å; I780-T784 PolarHBondContact O-N 3.06Å; I780-T784 PolarHBondContact O-OG1 2.66Å; T784-S786 VanDerWaalsContact C-N 3.27Å; T784-S786 PolarHBondContact O-N 2.77Å; T784-L787 WeakPolarHBondContact O-CB 3.49Å; T784-L787 PolarHBondContact O-N 2.9Å; T784-F788 HydrophobicContact CG2-CE2 4.42Å; T784-F788 WeakPolarHBondContact O-CD2 3.43Å; T784-F788 PolarHBondContact O-N 3.37Å; T784-F788 VanDerWaalsContact O-N 3.09Å |
| 785 | G | 63.1 | Low | 67.3 | Low | 4 Ų | 4 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.5 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S783 | S783-G785 PolarHBondContact O-N 2.92Å; S783-G785 VanDerWaalsContact O-N 3.15Å |
| 786 | S | 69.2 | Low | 69 | Low | 48 Ų | 48 | 34.3 Ų | 34.3 | 34% | 0.336 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -75.1 | -31.1 | 177.2 | 72.2 | 0 | 0 | 0 | 0 | 113.3 | S783 T784 N790 | S783-S786 PolarHBondContact O-N 3.11Å; S783-S786 PolarHBondContact O-OG 3.32Å; T784-S786 VanDerWaalsContact C-N 3.27Å; T784-S786 PolarHBondContact O-N 2.77Å; S786-N790 PolarHBondContact O-N 3.29Å; S786-N790 PolarHBondContact O-ND2 3.06Å |
| 787 | L | 74.1 | Confident | 70.8 | Confident | 14 Ų | 14 | 34.8 Ų | 34.8 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 177.9 | -85.1 | 54.1 | 0 | 0 | 0 | 110.5 | P725 L728 I729 S783 T784 S789 N790 C791 | P725-L787 HydrophobicContact CB-CD2 3.93Å; P725-L787 VanDerWaalsContact O-CD2 3.25Å; P725-L787 WeakPolarHBondContact O-CD2 3.24Å; L728-L787 HydrophobicContact CB-CD2 4.06Å; I729-L787 HydrophobicContact CD1-CD1 4.17Å; I729-L787 HydrophobicContact CD1-CD2 4.26Å; I729-L787 HydrophobicContact CD1-CG 4.44Å; I729-L787 HydrophobicContact CG1-CD1 3.93Å; I729-L787 HydrophobicContact CG1-CD2 3.85Å; I729-L787 HydrophobicContact CG1-CG 3.79Å; S783-L787 WeakPolarHBondContact O-CD1 3.33Å; T784-L787 WeakPolarHBondContact O-CB 3.49Å; T784-L787 PolarHBondContact O-N 2.9Å; L787-S789 VanDerWaalsContact C-N 3.33Å; L787-S789 PolarHBondContact O-N 2.67Å; L787-N790 CarbonylContact O-C 3.53Å; L787-N790 WeakPolarHBondContact O-CA 3.44Å; L787-N790 WeakPolarHBondContact O-CB 3.44Å; L787-N790 PolarHBondContact O-N 3.06Å; L787-C791 PolarHBondContact O-N 2.9Å; L787-C791 PolarHBondContact O-SG 3.09Å |
| 788 | F | 77.7 | Confident | 72.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | -177.8 | -72.8 | -67.6 | 0 | 0 | 0 | 113 | L728 I760 T784 N790 C791 L792 V821 C824 L828 | L728-F788 HydrophobicContact CD1-CE1 4.18Å; L728-F788 HydrophobicContact CD1-CZ 3.97Å; I760-F788 HydrophobicContact CD1-CZ 3.85Å; I760-F788 HydrophobicContact CG2-CE2 4.47Å; I760-F788 HydrophobicContact CG2-CZ 4.31Å; T784-F788 HydrophobicContact CG2-CE2 4.42Å; T784-F788 WeakPolarHBondContact O-CD2 3.43Å; T784-F788 PolarHBondContact O-N 3.37Å; T784-F788 VanDerWaalsContact O-N 3.09Å; F788-N790 VanDerWaalsContact C-N 3.29Å; F788-N790 PolarHBondContact O-N 3.03Å; F788-C791 PolarHBondContact O-N 3.32Å; F788-L792 WeakPolarHBondContact O-CB 3.48Å; F788-L792 PolarHBondContact O-N 3.18Å; F788-V821 HydrophobicContact CD1-CG1 4.2Å; F788-V821 HydrophobicContact CD1-CG2 4.42Å; F788-C824 HydrophobicContact CE1-CB 4.37Å; F788-C824 HydrophobicContact CZ-CB 4.49Å; F788-C824 WeakPolarHBondContact CZ-SG 3.49Å; F788-L828 HydrophobicContact CD2-CD1 3.41Å; F788-L828 VanDerWaalsContact CD2-CD1 3.41Å; F788-L828 HydrophobicContact CE2-CD1 3.66Å; F788-L828 HydrophobicContact CG-CD1 4.36Å |
| 789 | S | 80 | Confident | 74.2 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 170.4 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | L787 T793 D842 Q847 | L787-S789 VanDerWaalsContact C-N 3.33Å; L787-S789 PolarHBondContact O-N 2.67Å; S789-T793 PolarHBondContact O-N 2.92Å; S789-T793 PolarHBondContact O-OG1 3.09Å; S789-D842 PolarHBondContact OG-O 3.45Å; S789-Q847 PolarHBondContact O-NE2 2.86Å; S789-Q847 PolarHBondContact OG-NE2 3.11Å; S789-Q847 PolarHBondContact OG-OE1 3.45Å; S789-Q847 VanDerWaalsContact OG-OE1 3.11Å |
| 790 | N | 83.3 | Confident | 75.8 | Confident | 64 Ų | 64 | 30.2 Ų | 30.2 | 34% | 0.342 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -72.5 | -42.9 | 174.8 | -80.1 | -85.1 | 0 | 0 | 0 | 112.8 | T732 R736 S786 L787 F788 T793 V794 | T732-N790 HydrophobicContact CG2-CB 3.9Å; R736-N790 PolarHBondContact NH2-OD1 3.41Å; S786-N790 PolarHBondContact O-N 3.29Å; S786-N790 PolarHBondContact O-ND2 3.06Å; L787-N790 CarbonylContact O-C 3.53Å; L787-N790 WeakPolarHBondContact O-CA 3.44Å; L787-N790 WeakPolarHBondContact O-CB 3.44Å; L787-N790 PolarHBondContact O-N 3.06Å; F788-N790 VanDerWaalsContact C-N 3.29Å; F788-N790 PolarHBondContact O-N 3.03Å; N790-T793 PolarHBondContact O-N 3.44Å; N790-V794 WeakPolarHBondContact O-CG2 3.42Å; N790-V794 PolarHBondContact O-N 3.47Å |
| 791 | C | 84.1 | Confident | 77.1 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | T732 L787 F788 T793 V794 L795 V821 | T732-C791 PolarHBondContact OG1-SG 3.15Å; L787-C791 PolarHBondContact O-N 2.9Å; L787-C791 PolarHBondContact O-SG 3.09Å; F788-C791 PolarHBondContact O-N 3.32Å; C791-T793 VanDerWaalsContact C-N 3.33Å; C791-T793 PolarHBondContact O-N 2.87Å; C791-V794 PolarHBondContact O-N 2.83Å; C791-L795 WeakPolarHBondContact O-CB 3.49Å; C791-L795 VanDerWaalsContact O-CG 3.3Å; C791-L795 WeakPolarHBondContact O-CG 3.47Å; C791-L795 PolarHBondContact O-N 3.41Å; C791-V821 HydrophobicContact CB-CG2 4.35Å |
| 792 | L | 85.5 | Confident | 77.8 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.8 | -47.5 | 176.9 | -177 | 59.8 | 0 | 0 | 0 | 111.3 | F788 L795 I796 L818 V821 L822 T843 Q847 A851 | F788-L792 WeakPolarHBondContact O-CB 3.48Å; F788-L792 PolarHBondContact O-N 3.18Å; L792-L795 PolarHBondContact O-N 3.03Å; L792-I796 HydrophobicContact CD1-CD1 4.21Å; L792-I796 HydrophobicContact CG-CD1 4.13Å; L792-I796 WeakPolarHBondContact O-CB 3.48Å; L792-I796 WeakPolarHBondContact O-CD1 3.46Å; L792-I796 VanDerWaalsContact O-CG1 3.24Å; L792-I796 WeakPolarHBondContact O-CG1 3.2Å; L792-I796 PolarHBondContact O-N 3.26Å; L792-L818 HydrophobicContact CD1-CD1 3.34Å; L792-V821 HydrophobicContact CB-CG1 4.23Å; L792-V821 HydrophobicContact CD1-CG1 4.42Å; L792-L822 HydrophobicContact CD1-CD2 4.21Å; L792-T843 HydrophobicContact CD2-CG2 3.8Å; L792-Q847 HydrophobicContact CD2-CB 3.89Å; L792-A851 HydrophobicContact CD1-CB 3.89Å |
| 793 | T | 86.3 | Confident | 78.4 | Confident | 49 Ų | 49 | 32.6 Ų | 32.6 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 178.3 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | S789 N790 C791 L795 I796 D797 Q847 | S789-T793 PolarHBondContact O-N 2.92Å; S789-T793 PolarHBondContact O-OG1 3.09Å; N790-T793 PolarHBondContact O-N 3.44Å; C791-T793 VanDerWaalsContact C-N 3.33Å; C791-T793 PolarHBondContact O-N 2.87Å; T793-L795 PolarHBondContact O-N 3.03Å; T793-I796 PolarHBondContact O-N 3.48Å; T793-D797 PolarHBondContact O-N 2.97Å; T793-Q847 PolarHBondContact OG1-NE2 2.96Å |
| 794 | V | 87.5 | Confident | 78.7 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | -179.2 | 171.7 | 0 | 0 | 0 | 0 | 112.1 | T732 L735 R736 N790 C791 D797 I798 | T732-V794 HydrophobicContact CG2-CG2 4.14Å; L735-V794 HydrophobicContact CB-CG1 3.55Å; R736-V794 HydrophobicContact CB-CG2 4.31Å; N790-V794 WeakPolarHBondContact O-CG2 3.42Å; N790-V794 PolarHBondContact O-N 3.47Å; C791-V794 PolarHBondContact O-N 2.83Å; V794-D797 PolarHBondContact O-N 3.36Å; V794-I798 HydrophobicContact CG1-CD1 4.11Å; V794-I798 VanDerWaalsContact O-CG1 3.31Å; V794-I798 WeakPolarHBondContact O-CG1 3.45Å; V794-I798 PolarHBondContact O-N 2.91Å |
| 795 | L | 88.6 | Confident | 79 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.5 | -39.1 | 175.3 | -71.1 | 168.5 | 0 | 0 | 0 | 112.2 | C791 L792 T793 D797 I798 I799 A814 A817 V821 | C791-L795 WeakPolarHBondContact O-CB 3.49Å; C791-L795 VanDerWaalsContact O-CG 3.3Å; C791-L795 WeakPolarHBondContact O-CG 3.47Å; C791-L795 PolarHBondContact O-N 3.41Å; L792-L795 PolarHBondContact O-N 3.03Å; T793-L795 PolarHBondContact O-N 3.03Å; L795-D797 VanDerWaalsContact C-N 3.33Å; L795-I798 PolarHBondContact O-N 3.42Å; L795-I799 WeakPolarHBondContact O-CD1 3.36Å; L795-I799 WeakPolarHBondContact O-CG1 3.37Å; L795-I799 PolarHBondContact O-N 3.31Å; L795-A814 HydrophobicContact CD2-CB 4.29Å; L795-A817 HydrophobicContact CD1-CB 3.98Å; L795-A817 HydrophobicContact CD2-CB 3.79Å; L795-V821 HydrophobicContact CD1-CB 4.4Å; L795-V821 HydrophobicContact CD1-CG2 3.84Å |
| 796 | I | 87.4 | Confident | 79.5 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 172.3 | -72.2 | 165.5 | 0 | 0 | 0 | 110.6 | L792 T793 I799 R800 A851 | L792-I796 HydrophobicContact CD1-CD1 4.21Å; L792-I796 HydrophobicContact CG-CD1 4.13Å; L792-I796 WeakPolarHBondContact O-CB 3.48Å; L792-I796 WeakPolarHBondContact O-CD1 3.46Å; L792-I796 VanDerWaalsContact O-CG1 3.24Å; L792-I796 WeakPolarHBondContact O-CG1 3.2Å; L792-I796 PolarHBondContact O-N 3.26Å; T793-I796 PolarHBondContact O-N 3.48Å; I796-I799 WeakPolarHBondContact O-CB 3.04Å; I796-I799 PolarHBondContact O-N 3.23Å; I796-R800 HydrophobicContact CG2-CG 4.33Å; I796-R800 VanDerWaalsContact O-CG 3.23Å; I796-R800 WeakPolarHBondContact O-CG 3.14Å; I796-R800 PolarHBondContact O-N 3.17Å; I796-A851 HydrophobicContact CD1-CB 4.08Å |
| 797 | D | 86.3 | Confident | 79.9 | Confident | 68 Ų | 68 | 43.7 Ų | 43.7 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 179.1 | -75.1 | -24.5 | 0 | 0 | 0 | 113.2 | T793 V794 L795 I799 R800 E801 | T793-D797 PolarHBondContact O-N 2.97Å; V794-D797 PolarHBondContact O-N 3.36Å; L795-D797 VanDerWaalsContact C-N 3.33Å; D797-I799 VanDerWaalsContact C-N 3.29Å; D797-I799 PolarHBondContact O-N 2.68Å; D797-R800 WeakPolarHBondContact O-CB 3.47Å; D797-R800 PolarHBondContact O-N 3.01Å; D797-R800 VanDerWaalsContact O-N 3.09Å; D797-R800 IonicContact OD1-CZ 3.28Å; D797-R800 IonicContact OD1-NE 2.96Å; D797-R800 IonicContact OD1-NH1 3.74Å; D797-R800 PolarHBondContact OD1-NH1 3.37Å; D797-E801 PolarHBondContact O-N 3.18Å; D797-E801 VanDerWaalsContact O-N 3.15Å |
| 798 | I | 85.5 | Confident | 80.3 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 171.3 | -64.8 | 161.3 | 0 | 0 | 0 | 110.8 | L735 V794 L795 R800 E801 L810 A814 | L735-I798 HydrophobicContact CB-CD1 4.41Å; L735-I798 HydrophobicContact CD1-CD1 4.47Å; L735-I798 HydrophobicContact CD2-CD1 3.96Å; V794-I798 HydrophobicContact CG1-CD1 4.11Å; V794-I798 VanDerWaalsContact O-CG1 3.31Å; V794-I798 WeakPolarHBondContact O-CG1 3.45Å; V794-I798 PolarHBondContact O-N 2.91Å; L795-I798 PolarHBondContact O-N 3.42Å; I798-R800 VanDerWaalsContact C-N 3.29Å; I798-R800 PolarHBondContact O-N 3.06Å; I798-E801 PolarHBondContact O-N 3.19Å; I798-L810 HydrophobicContact CG2-CD1 4.23Å; I798-L810 HydrophobicContact CG2-CD2 4.23Å; I798-L810 HydrophobicContact CG2-CG 3.97Å; I798-A814 HydrophobicContact CB-CB 4.3Å; I798-A814 HydrophobicContact CG2-CB 3.7Å |
| 799 | I | 85.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.6 | -28.2 | 176.7 | -72.9 | 164.9 | 0 | 0 | 0 | 112.1 | L795 I796 D797 R811 A814 V815 L818 L858 | L795-I799 WeakPolarHBondContact O-CD1 3.36Å; L795-I799 WeakPolarHBondContact O-CG1 3.37Å; L795-I799 PolarHBondContact O-N 3.31Å; I796-I799 WeakPolarHBondContact O-CB 3.04Å; I796-I799 PolarHBondContact O-N 3.23Å; D797-I799 VanDerWaalsContact C-N 3.29Å; D797-I799 PolarHBondContact O-N 2.68Å; I799-R811 PolarHBondContact O-NE 2.95Å; I799-R811 PolarHBondContact O-NH2 3.32Å; I799-A814 HydrophobicContact CG1-CB 4.11Å; I799-V815 HydrophobicContact CD1-CG2 3.87Å; I799-V815 HydrophobicContact CG1-CG2 4.09Å; I799-L818 HydrophobicContact CD1-CB 4.3Å; I799-L818 HydrophobicContact CD1-CD2 3.62Å; I799-L858 HydrophobicContact CG2-CD1 3.84Å; I799-L858 HydrophobicContact CG2-CG 4.49Å |
| 800 | R | 84.1 | Confident | 80.7 | Confident | 159 Ų | 159 | 50.4 Ų | 50.4 | 60% | 0.6 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -79.6 | -16.5 | 177.3 | -72.5 | 167.7 | 71.5 | -157.9 | 7.8 | 114.2 | I796 D797 I798 H854 | I796-R800 HydrophobicContact CG2-CG 4.33Å; I796-R800 VanDerWaalsContact O-CG 3.23Å; I796-R800 WeakPolarHBondContact O-CG 3.14Å; I796-R800 PolarHBondContact O-N 3.17Å; D797-R800 WeakPolarHBondContact O-CB 3.47Å; D797-R800 PolarHBondContact O-N 3.01Å; D797-R800 VanDerWaalsContact O-N 3.09Å; D797-R800 IonicContact OD1-CZ 3.28Å; D797-R800 IonicContact OD1-NE 2.96Å; D797-R800 IonicContact OD1-NH1 3.74Å; D797-R800 PolarHBondContact OD1-NH1 3.37Å; I798-R800 VanDerWaalsContact C-N 3.29Å; I798-R800 PolarHBondContact O-N 3.06Å; R800-H854 VanDerWaalsContact CG-CE1 3.48Å; R800-H854 WeakPolarHBondContact CG-CE1 3.13Å |
| 801 | E | 82.9 | Confident | 80.9 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -58.1 | 152.8 | 176.5 | -79.9 | 176.7 | -151.2 | 0 | 0 | 112.9 | R746 D797 I798 C806 | R746-E801 IonicContact CZ-OE1 3.49Å; R746-E801 IonicContact CZ-OE2 3.67Å; R746-E801 IonicContact NH1-OE1 3.41Å; R746-E801 PolarHBondContact NH1-OE1 3.32Å; R746-E801 IonicContact NH1-OE2 2.83Å; R746-E801 PolarHBondContact NH1-OE2 3.47Å; R746-E801 IonicContact NH2-OE1 3.82Å; R746-E801 PolarHBondContact NH2-OE1 2.8Å; R746-E801 IonicContact NH2-OE2 3.62Å; D797-E801 PolarHBondContact O-N 3.18Å; D797-E801 VanDerWaalsContact O-N 3.15Å; I798-E801 PolarHBondContact O-N 3.19Å; E801-C806 HydrophobicContact CB-CB 3.76Å |
| 802 | S | 69.9 | Low | 81 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | trans | -64.6 | 148.3 | 173.5 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | S804 R805 C806 | S802-S804 WeakPolarHBondContact CB-OG 3.26Å; S802-S804 PolarHBondContact O-N 3.11Å; S802-S804 VanDerWaalsContact O-N 3.09Å; S802-S804 PolarHBondContact OG-OG 3.04Å; S802-R805 PolarHBondContact O-N 3.47Å; S802-C806 PolarHBondContact O-N 3.47Å | ||
| 803 | S | 66.3 | Low | 81 | Confident | 100 Ų | 100 | 50.9 Ų | 50.9 | 70% | 0.699 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.8 | 174.7 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | R805 | S803-R805 VanDerWaalsContact C-N 3.35Š|
| 804 | S | 65 | Low | 81.2 | Confident | 107 Ų | 107 | 48.6 Ų | 48.6 | 75% | 0.748 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.5 | 171.8 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | S802 | S802-S804 WeakPolarHBondContact CB-OG 3.26Å; S802-S804 PolarHBondContact O-N 3.11Å; S802-S804 VanDerWaalsContact O-N 3.09Å; S802-S804 PolarHBondContact OG-OG 3.04Å |
| 805 | R | 67.5 | Low | 81.3 | Confident | 181 Ų | 181 | 48.2 Ų | 48.2 | 68% | 0.683 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -50.5 | 175.9 | -69.9 | -176 | 176.7 | -164.5 | -0.5 | 111.3 | N743 S802 S803 G807 | N743-R805 PolarHBondContact ND2-O 3.35Å; S802-R805 PolarHBondContact O-N 3.47Å; S803-R805 VanDerWaalsContact C-N 3.35Å; R805-G807 PolarHBondContact O-N 3.2Å |
| 806 | C | 72.7 | Confident | 81.3 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -89.8 | 99 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | E801 S802 L810 R811 | E801-C806 HydrophobicContact CB-CB 3.76Å; S802-C806 PolarHBondContact O-N 3.47Å; C806-L810 HydrophobicContact CB-CD2 4.49Å; C806-R811 PolarHBondContact SG-N 3.38Å |
| 807 | G | 77.8 | Confident | 81.5 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | -60.3 | 156.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R805 R809 L810 R811 | R805-G807 PolarHBondContact O-N 3.2Å; G807-R809 VanDerWaalsContact C-N 3.26Å; G807-R809 PolarHBondContact O-N 2.98Å; G807-L810 PolarHBondContact O-N 3.42Å; G807-R811 PolarHBondContact O-N 3.33Å | ||
| 808 | L | 81.8 | Confident | 81.8 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 42% | 0.419 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -35.3 | -172.8 | -60.4 | 172.5 | 0 | 0 | 0 | 113 | R811 Q812 I920 I925 | L808-R811 PolarHBondContact O-N 2.79Å; L808-Q812 WeakPolarHBondContact O-CB 3.49Å; L808-Q812 PolarHBondContact O-N 2.95Å; L808-I920 HydrophobicContact CB-CG2 4.15Å; L808-I920 WeakPolarHBondContact CD1-O 3.27Å; L808-I925 HydrophobicContact CB-CD1 4.27Å; L808-I925 HydrophobicContact CD2-CD1 3.67Å |
| 809 | R | 81.1 | Confident | 81.9 | Confident | 90 Ų | 90 | 45 Ų | 45 | 34% | 0.34 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.3 | -57.5 | 170 | -81.5 | 175.2 | 160.9 | 173.3 | -6.8 | 112.9 | G807 R811 Q812 A813 D884 D887 I920 | G807-R809 VanDerWaalsContact C-N 3.26Å; G807-R809 PolarHBondContact O-N 2.98Å; R809-R811 VanDerWaalsContact C-N 3.29Å; R809-R811 PolarHBondContact O-N 3.17Å; R809-Q812 PolarHBondContact O-N 3.33Å; R809-A813 PolarHBondContact O-N 3.36Å; R809-D884 IonicContact CZ-OD1 3.19Å; R809-D884 IonicContact CZ-OD2 3.78Å; R809-D884 IonicContact NH1-OD1 2.86Å; R809-D884 PolarHBondContact NH1-OD1 3.3Å; R809-D884 IonicContact NH1-OD2 3Å; R809-D884 PolarHBondContact NH1-OD2 3.36Å; R809-D884 IonicContact NH2-OD1 2.75Å; R809-D884 PolarHBondContact NH2-OD1 3.28Å; R809-D884 IonicContact NH2-OD2 3.75Å; R809-D884 PolarHBondContact NH2-OD2 3.45Å; R809-D887 IonicContact CZ-OD2 3.99Å; R809-D887 IonicContact NE-OD2 2.68Å; R809-D887 PolarHBondContact NE-OD2 2.83Å; R809-D887 IonicContact NH2-OD2 3.59Å; R809-D887 PolarHBondContact NH2-OD2 3.27Å; R809-I920 HydrophobicContact CG-CD1 3.74Å |
| 810 | L | 86.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | -179.9 | 176.6 | 58.5 | 0 | 0 | 0 | 110.9 | N743 R746 T747 I798 C806 G807 Q812 A813 A814 | N743-L810 WeakPolarHBondContact OD1-CD2 3.4Å; R746-L810 HydrophobicContact CB-CD1 3.62Å; R746-L810 HydrophobicContact CB-CD2 3.93Å; R746-L810 HydrophobicContact CB-CG 4.44Å; T747-L810 WeakPolarHBondContact OG1-CA 3.21Å; I798-L810 HydrophobicContact CG2-CD1 4.23Å; I798-L810 HydrophobicContact CG2-CD2 4.23Å; I798-L810 HydrophobicContact CG2-CG 3.97Å; C806-L810 HydrophobicContact CB-CD2 4.49Å; G807-L810 PolarHBondContact O-N 3.42Å; L810-Q812 PolarHBondContact O-N 3.1Å; L810-A813 PolarHBondContact O-N 2.96Å; L810-A814 WeakPolarHBondContact O-CB 3.46Å; L810-A814 PolarHBondContact O-N 3.29Å |
| 811 | R | 86.8 | Confident | 82.4 | Confident | 61 Ų | 61 | 37.5 Ų | 37.5 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 179.7 | -151.5 | 177.2 | -154.6 | -177 | 10.3 | 112 | I799 C806 G807 L808 R809 V815 I925 | I799-R811 PolarHBondContact O-NE 2.95Å; I799-R811 PolarHBondContact O-NH2 3.32Å; C806-R811 PolarHBondContact SG-N 3.38Å; G807-R811 PolarHBondContact O-N 3.33Å; L808-R811 PolarHBondContact O-N 2.79Å; R809-R811 VanDerWaalsContact C-N 3.29Å; R809-R811 PolarHBondContact O-N 3.17Å; R811-V815 VanDerWaalsContact O-CG2 3.23Å; R811-V815 WeakPolarHBondContact O-CG2 3.47Å; R811-V815 PolarHBondContact O-N 3.08Å; R811-V815 VanDerWaalsContact O-N 3.09Å; R811-I925 HydrophobicContact CB-CD1 4.09Å |
| 812 | Q | 86.7 | Confident | 82.7 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 175.7 | -166.7 | -180 | 6.1 | 0 | 0 | 111.6 | L808 R809 L810 A814 V815 I816 I920 I925 S928 | L808-Q812 WeakPolarHBondContact O-CB 3.49Å; L808-Q812 PolarHBondContact O-N 2.95Å; R809-Q812 PolarHBondContact O-N 3.33Å; L810-Q812 PolarHBondContact O-N 3.1Å; Q812-A814 PolarHBondContact O-N 3.17Å; Q812-V815 PolarHBondContact O-N 2.95Å; Q812-I816 HydrophobicContact CG-CD1 4.21Å; Q812-I816 WeakPolarHBondContact O-CG1 3.45Å; Q812-I816 PolarHBondContact O-N 3.33Å; Q812-I920 HydrophobicContact CB-CG2 4.5Å; Q812-I920 VanDerWaalsContact OE1-CG2 3.26Å; Q812-I925 HydrophobicContact CB-CG1 4.28Å; Q812-S928 WeakPolarHBondContact CG-OG 3.22Å; Q812-S928 PolarHBondContact NE2-OG 3.09Å |
| 813 | A | 86.4 | Confident | 83.5 | Confident | 7 Ų | 7 | 33 Ų | 33 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T747 C750 R809 L810 I816 A817 | T747-A813 HydrophobicContact CG2-CB 3.85Å; C750-A813 HydrophobicContact CB-CB 3.86Å; R809-A813 PolarHBondContact O-N 3.36Å; L810-A813 PolarHBondContact O-N 2.96Å; A813-I816 PolarHBondContact O-N 3.36Å; A813-A817 WeakPolarHBondContact O-CB 3.32Å; A813-A817 PolarHBondContact O-N 2.87Å |
| 814 | A | 89.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L795 I798 I799 L810 Q812 L818 | L795-A814 HydrophobicContact CD2-CB 4.29Å; I798-A814 HydrophobicContact CB-CB 4.3Å; I798-A814 HydrophobicContact CG2-CB 3.7Å; I799-A814 HydrophobicContact CG1-CB 4.11Å; L810-A814 WeakPolarHBondContact O-CB 3.46Å; L810-A814 PolarHBondContact O-N 3.29Å; Q812-A814 PolarHBondContact O-N 3.17Å; A814-L818 WeakPolarHBondContact O-CB 3.5Å; A814-L818 PolarHBondContact O-N 3.38Å |
| 815 | V | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | 175.4 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | I799 R811 Q812 L818 G819 L855 L858 I925 A929 S932 | I799-V815 HydrophobicContact CD1-CG2 3.87Å; I799-V815 HydrophobicContact CG1-CG2 4.09Å; R811-V815 VanDerWaalsContact O-CG2 3.23Å; R811-V815 WeakPolarHBondContact O-CG2 3.47Å; R811-V815 PolarHBondContact O-N 3.08Å; R811-V815 VanDerWaalsContact O-N 3.09Å; Q812-V815 PolarHBondContact O-N 2.95Å; V815-L818 WeakPolarHBondContact O-CB 3.23Å; V815-L818 PolarHBondContact O-N 2.83Å; V815-G819 PolarHBondContact O-N 3.24Å; V815-G819 VanDerWaalsContact O-N 3.1Å; V815-L855 HydrophobicContact CG1-CD2 4.11Å; V815-L858 HydrophobicContact CG2-CD1 3.42Å; V815-L858 VanDerWaalsContact CG2-CD1 3.42Å; V815-I925 HydrophobicContact CG2-CG2 4.41Å; V815-A929 HydrophobicContact CG1-CB 3.93Å; V815-S932 PolarHBondContact O-OG 2.79Å |
| 816 | I | 88.6 | Confident | 86.3 | Confident | 16 Ų | 16 | 14.7 Ų | 14.7 | 8% | 0.082 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.6 | -70.1 | 169.8 | 0 | 0 | 0 | 110.8 | L606 Q812 A813 L818 G819 E820 | L606-I816 HydrophobicContact CB-CG2 3.94Å; Q812-I816 HydrophobicContact CG-CD1 4.21Å; Q812-I816 WeakPolarHBondContact O-CG1 3.45Å; Q812-I816 PolarHBondContact O-N 3.33Å; A813-I816 PolarHBondContact O-N 3.36Å; I816-L818 VanDerWaalsContact C-N 3.32Å; I816-L818 PolarHBondContact O-N 2.96Å; I816-G819 PolarHBondContact O-N 3.39Å; I816-E820 PolarHBondContact O-N 3.1Å; I816-E820 VanDerWaalsContact O-N 3.15Å |
| 817 | A | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.6 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C750 L795 A813 G819 E820 V821 | C750-A817 HydrophobicContact CB-CB 4.48Å; L795-A817 HydrophobicContact CD1-CB 3.98Å; L795-A817 HydrophobicContact CD2-CB 3.79Å; A813-A817 WeakPolarHBondContact O-CB 3.32Å; A813-A817 PolarHBondContact O-N 2.87Å; A817-G819 VanDerWaalsContact C-N 3.3Å; A817-G819 PolarHBondContact O-N 3.25Å; A817-E820 PolarHBondContact O-N 3.32Å; A817-V821 WeakPolarHBondContact O-CB 3.01Å; A817-V821 WeakPolarHBondContact O-CG2 3.07Å; A817-V821 PolarHBondContact O-N 3.43Å |
| 818 | L | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -39 | 173.2 | 177.6 | 61.3 | 0 | 0 | 0 | 111.5 | L792 I799 A814 V815 I816 L822 A851 L855 | L792-L818 HydrophobicContact CD1-CD1 3.34Å; I799-L818 HydrophobicContact CD1-CB 4.3Å; I799-L818 HydrophobicContact CD1-CD2 3.62Å; A814-L818 WeakPolarHBondContact O-CB 3.5Å; A814-L818 PolarHBondContact O-N 3.38Å; V815-L818 WeakPolarHBondContact O-CB 3.23Å; V815-L818 PolarHBondContact O-N 2.83Å; I816-L818 VanDerWaalsContact C-N 3.32Å; I816-L818 PolarHBondContact O-N 2.96Å; L818-L822 HydrophobicContact CD1-CD1 4.27Å; L818-L822 HydrophobicContact CD1-CG 4.41Å; L818-L822 HydrophobicContact CG-CD1 4.23Å; L818-L822 VanDerWaalsContact O-CG 3.26Å; L818-L822 WeakPolarHBondContact O-CG 3.49Å; L818-L822 PolarHBondContact O-N 3.47Å; L818-L822 VanDerWaalsContact O-N 3.1Å; L818-A851 HydrophobicContact CD1-CB 4.25Å; L818-L855 HydrophobicContact CD2-CD1 4.44Å; L818-L855 HydrophobicContact CD2-CD2 3.89Å; L818-L855 HydrophobicContact CD2-CG 3.89Å; L818-L855 HydrophobicContact CG-CD2 4.46Å |
| 819 | G | 88.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.9 | -51.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V815 I816 A817 V821 L822 T823 | V815-G819 PolarHBondContact O-N 3.24Å; V815-G819 VanDerWaalsContact O-N 3.1Å; I816-G819 PolarHBondContact O-N 3.39Å; A817-G819 VanDerWaalsContact C-N 3.3Å; A817-G819 PolarHBondContact O-N 3.25Å; G819-V821 PolarHBondContact O-N 2.76Å; G819-L822 PolarHBondContact O-N 3.29Å; G819-T823 PolarHBondContact O-N 3.01Å; G819-T823 PolarHBondContact O-OG1 2.88Å |
| 820 | E | 89.7 | Confident | 86.6 | Confident | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -68.1 | -31.4 | -179.7 | -62.9 | -63.1 | 178.3 | 0 | 0 | 113.5 | P605 L606 I816 A817 L822 T823 C824 | P605-E820 WeakPolarHBondContact CA-OE1 3.22Å; L606-E820 HydrophobicContact CB-CG 4.48Å; L606-E820 WeakPolarHBondContact CB-OE1 3.38Å; L606-E820 HydrophobicContact CD1-CG 4.2Å; L606-E820 PolarHBondContact N-OE1 3.43Å; I816-E820 PolarHBondContact O-N 3.1Å; I816-E820 VanDerWaalsContact O-N 3.15Å; A817-E820 PolarHBondContact O-N 3.32Å; E820-L822 VanDerWaalsContact C-N 3.34Å; E820-T823 WeakPolarHBondContact CA-OG1 2.49Å; E820-T823 PolarHBondContact O-OG1 2.77Å; E820-T823 PolarHBondContact OE2-OG1 3.38Å; E820-C824 WeakPolarHBondContact O-CB 3.49Å; E820-C824 PolarHBondContact O-N 3.29Å |
| 821 | V | 90 | Very high | 86 | Confident | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 172.7 | 165 | 0 | 0 | 0 | 0 | 110.9 | S757 F788 C791 L792 L795 A817 G819 S825 | S757-V821 WeakPolarHBondContact OG-CG2 3.13Å; F788-V821 HydrophobicContact CD1-CG1 4.2Å; F788-V821 HydrophobicContact CD1-CG2 4.42Å; C791-V821 HydrophobicContact CB-CG2 4.35Å; L792-V821 HydrophobicContact CB-CG1 4.23Å; L792-V821 HydrophobicContact CD1-CG1 4.42Å; L795-V821 HydrophobicContact CD1-CB 4.4Å; L795-V821 HydrophobicContact CD1-CG2 3.84Å; A817-V821 WeakPolarHBondContact O-CB 3.01Å; A817-V821 WeakPolarHBondContact O-CG2 3.07Å; A817-V821 PolarHBondContact O-N 3.43Å; G819-V821 PolarHBondContact O-N 2.76Å; V821-S825 VanDerWaalsContact O-CB 3.27Å; V821-S825 WeakPolarHBondContact O-CB 3.27Å; V821-S825 PolarHBondContact O-N 3.44Å; V821-S825 PolarHBondContact O-OG 3.27Å |
| 822 | L | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -70.2 | -43.2 | 176.8 | -72.3 | 168.2 | 0 | 0 | 0 | 112.4 | L792 L818 G819 E820 S825 T826 W848 A851 L855 F936 | L792-L822 HydrophobicContact CD1-CD2 4.21Å; L818-L822 HydrophobicContact CD1-CD1 4.27Å; L818-L822 HydrophobicContact CD1-CG 4.41Å; L818-L822 HydrophobicContact CG-CD1 4.23Å; L818-L822 VanDerWaalsContact O-CG 3.26Å; L818-L822 WeakPolarHBondContact O-CG 3.49Å; L818-L822 PolarHBondContact O-N 3.47Å; L818-L822 VanDerWaalsContact O-N 3.1Å; G819-L822 PolarHBondContact O-N 3.29Å; E820-L822 VanDerWaalsContact C-N 3.34Å; L822-S825 PolarHBondContact O-N 3.07Å; L822-T826 PolarHBondContact O-N 3.16Å; L822-T826 PolarHBondContact O-OG1 3.22Å; L822-W848 HydrophobicContact CD2-CE3 3.76Å; L822-W848 HydrophobicContact CD2-CZ3 3.66Å; L822-A851 HydrophobicContact CD1-CB 4.4Å; L822-A851 HydrophobicContact CD2-CB 4.24Å; L822-L855 HydrophobicContact CD1-CD1 3.8Å; L822-F936 HydrophobicContact CB-CB 4.36Å; L822-F936 HydrophobicContact CB-CD2 3.78Å; L822-F936 HydrophobicContact CB-CE2 4.19Å; L822-F936 HydrophobicContact CB-CG 4.02Å; L822-F936 HydrophobicContact CD1-CD1 4.23Å; L822-F936 HydrophobicContact CD1-CG 4.37Å; L822-F936 HydrophobicContact CD2-CE2 4.34Å; L822-F936 HydrophobicContact CD2-CZ 4.26Å |
| 823 | T | 86 | Confident | 84.7 | Confident | 4 Ų | 4 | 7 Ų | 7 | 3% | 0.025 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 175.9 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | G819 E820 S825 T826 C827 A935 A939 | G819-T823 PolarHBondContact O-N 3.01Å; G819-T823 PolarHBondContact O-OG1 2.88Å; E820-T823 WeakPolarHBondContact CA-OG1 2.49Å; E820-T823 PolarHBondContact O-OG1 2.77Å; E820-T823 PolarHBondContact OE2-OG1 3.38Å; T823-S825 VanDerWaalsContact C-N 3.35Å; T823-S825 PolarHBondContact O-N 3.27Å; T823-T826 WeakPolarHBondContact CA-OG1 3.33Å; T823-T826 PolarHBondContact O-N 2.99Å; T823-T826 PolarHBondContact O-OG1 3.42Å; T823-C827 PolarHBondContact O-N 3.37Å; T823-C827 VanDerWaalsContact O-N 3.11Å; T823-C827 PolarHBondContact O-SG 3Å; T823-A935 HydrophobicContact CG2-CB 3.95Å; T823-A939 HydrophobicContact CG2-CB 4.11Å |
| 824 | C | 87 | Confident | 84 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.8 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | S757 I760 A761 F788 E820 T826 C827 L828 | S757-C824 WeakPolarHBondContact O-CB 2.54Å; S757-C824 PolarHBondContact O-SG 3.2Å; I760-C824 VanDerWaalsContact CG2-SG 3.57Å; A761-C824 HydrophobicContact CB-CB 4.15Å; F788-C824 HydrophobicContact CE1-CB 4.37Å; F788-C824 HydrophobicContact CZ-CB 4.49Å; F788-C824 WeakPolarHBondContact CZ-SG 3.49Å; E820-C824 WeakPolarHBondContact O-CB 3.49Å; E820-C824 PolarHBondContact O-N 3.29Å; C824-T826 VanDerWaalsContact C-N 3.31Å; C824-T826 PolarHBondContact O-N 2.78Å; C824-C827 WeakPolarHBondContact O-CB 3.34Å; C824-C827 PolarHBondContact O-N 3.41Å; C824-L828 PolarHBondContact O-N 2.9Å |
| 825 | S | 86.6 | Confident | 82.9 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 4% | 0.035 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.2 | -35 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | V821 L822 T823 L828 L829 | V821-S825 VanDerWaalsContact O-CB 3.27Å; V821-S825 WeakPolarHBondContact O-CB 3.27Å; V821-S825 PolarHBondContact O-N 3.44Å; V821-S825 PolarHBondContact O-OG 3.27Å; L822-S825 PolarHBondContact O-N 3.07Å; T823-S825 VanDerWaalsContact C-N 3.35Å; T823-S825 PolarHBondContact O-N 3.27Å; S825-L828 PolarHBondContact O-N 3Å; S825-L829 WeakPolarHBondContact O-CG 3.4Å; S825-L829 PolarHBondContact O-N 3.3Å; S825-L829 VanDerWaalsContact O-N 3.14Å |
| 826 | T | 84.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.1 | -33.2 | 172.1 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | L822 T823 C824 L829 L830 F936 A939 I940 L945 | L822-T826 PolarHBondContact O-N 3.16Å; L822-T826 PolarHBondContact O-OG1 3.22Å; T823-T826 WeakPolarHBondContact CA-OG1 3.33Å; T823-T826 PolarHBondContact O-N 2.99Å; T823-T826 PolarHBondContact O-OG1 3.42Å; C824-T826 VanDerWaalsContact C-N 3.31Å; C824-T826 PolarHBondContact O-N 2.78Å; T826-L829 PolarHBondContact O-N 2.85Å; T826-L830 PolarHBondContact O-N 3.21Å; T826-F936 HydrophobicContact CG2-CD2 3.97Å; T826-F936 HydrophobicContact CG2-CE2 3.59Å; T826-A939 VanDerWaalsContact OG1-CB 3.29Å; T826-A939 WeakPolarHBondContact OG1-CB 3.36Å; T826-I940 HydrophobicContact CG2-CG1 3.93Å; T826-L945 HydrophobicContact CG2-CD1 3.89Å |
| 827 | C | 81.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.6 | -35.8 | 174.2 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | L764 T823 C824 L830 Y831 | L764-C827 HydrophobicContact CB-CB 4.23Å; L764-C827 HydrophobicContact CD1-CB 4.03Å; T823-C827 PolarHBondContact O-N 3.37Å; T823-C827 VanDerWaalsContact O-N 3.11Å; T823-C827 PolarHBondContact O-SG 3Å; C824-C827 WeakPolarHBondContact O-CB 3.34Å; C824-C827 PolarHBondContact O-N 3.41Å; C827-L830 PolarHBondContact O-N 2.95Å; C827-Y831 PolarHBondContact O-N 3.42Å |
| 828 | L | 80.9 | Confident | 77.8 | Confident | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | 172.5 | -76.4 | 171 | 0 | 0 | 0 | 112.8 | L764 F788 C824 S825 L830 Y831 A832 I841 | L764-L828 HydrophobicContact CD1-CD2 3.54Å; L764-L828 HydrophobicContact CD1-CG 3.63Å; L764-L828 HydrophobicContact CD2-CD2 3.91Å; L764-L828 HydrophobicContact CG-CD2 4.39Å; F788-L828 HydrophobicContact CD2-CD1 3.41Å; F788-L828 VanDerWaalsContact CD2-CD1 3.41Å; F788-L828 HydrophobicContact CE2-CD1 3.66Å; F788-L828 HydrophobicContact CG-CD1 4.36Å; C824-L828 PolarHBondContact O-N 2.9Å; S825-L828 PolarHBondContact O-N 3Å; L828-L830 VanDerWaalsContact C-N 3.33Å; L828-L830 PolarHBondContact O-N 2.81Å; L828-Y831 PolarHBondContact O-N 2.9Å; L828-A832 VanDerWaalsContact O-CB 3.31Å; L828-A832 WeakPolarHBondContact O-CB 3.46Å; L828-A832 PolarHBondContact O-N 2.78Å; L828-I841 HydrophobicContact CB-CD1 4.45Å |
| 829 | L | 79.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 175.2 | -70.4 | 170.7 | 0 | 0 | 0 | 111.8 | S825 T826 H833 I841 W848 L945 L954 I958 C961 | S825-L829 WeakPolarHBondContact O-CG 3.4Å; S825-L829 PolarHBondContact O-N 3.3Å; S825-L829 VanDerWaalsContact O-N 3.14Å; T826-L829 PolarHBondContact O-N 2.85Å; L829-H833 WeakPolarHBondContact O-CB 3.08Å; L829-H833 PolarHBondContact O-N 2.81Å; L829-I841 HydrophobicContact CD2-CD1 3.89Å; L829-I841 HydrophobicContact CD2-CG2 4.23Å; L829-W848 HydrophobicContact CD1-CH2 4.17Å; L829-W848 HydrophobicContact CD1-CZ2 4Å; L829-L945 HydrophobicContact CB-CD1 4.44Å; L829-L945 HydrophobicContact CB-CD2 4.15Å; L829-L945 HydrophobicContact CD1-CD1 4.13Å; L829-L954 HydrophobicContact CD2-CD1 3.62Å; L829-I958 HydrophobicContact CB-CG1 4.45Å; L829-I958 HydrophobicContact CD1-CG1 4.37Å; L829-I958 HydrophobicContact CD2-CG1 4.09Å; L829-C961 HydrophobicContact CD1-CB 4.39Å |
| 830 | L | 77 | Confident | 74.6 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 15% | 0.147 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -46.6 | 175 | 175.4 | 63.3 | 0 | 0 | 0 | 112.3 | T826 C827 L828 H833 R834 C943 L945 | T826-L830 PolarHBondContact O-N 3.21Å; C827-L830 PolarHBondContact O-N 2.95Å; L828-L830 VanDerWaalsContact C-N 3.33Å; L828-L830 PolarHBondContact O-N 2.81Å; L830-H833 PolarHBondContact O-N 3.29Å; L830-R834 PolarHBondContact O-N 2.74Å; L830-C943 HydrophobicContact CB-CB 4.16Å; L830-C943 HydrophobicContact CD2-CB 4.12Å; L830-L945 HydrophobicContact CB-CD2 4.43Å |
| 831 | Y | 73.9 | Confident | 73.3 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 178.9 | 175.2 | -93.1 | 0 | 0 | 0 | 111.8 | L764 L777 C827 L828 H833 R834 K835 I839 | L764-Y831 HydrophobicContact CD2-CD1 4.27Å; L764-Y831 HydrophobicContact CD2-CD2 4.22Å; L764-Y831 HydrophobicContact CD2-CG 3.9Å; L777-Y831 HydrophobicContact CD1-CE2 3.91Å; L777-Y831 WeakPolarHBondContact CD1-OH 3.45Å; L777-Y831 HydrophobicContact CD2-CE1 4.42Å; L777-Y831 HydrophobicContact CD2-CE2 4.17Å; C827-Y831 PolarHBondContact O-N 3.42Å; L828-Y831 PolarHBondContact O-N 2.9Å; Y831-H833 VanDerWaalsContact C-N 3.31Å; Y831-H833 PolarHBondContact O-N 3.4Å; Y831-R834 PolarHBondContact O-N 3.03Å; Y831-K835 HydrophobicContact CD2-CG 4.46Å; Y831-K835 HydrophobicContact CE1-CG 4.22Å; Y831-K835 HydrophobicContact CE2-CD 4.44Å; Y831-K835 HydrophobicContact CE2-CG 3.82Å; Y831-K835 PolarHBondContact O-N 2.96Å; Y831-K835 VanDerWaalsContact O-N 3.1Å; Y831-I839 HydrophobicContact CD1-CD1 4.08Å; Y831-I839 HydrophobicContact CE1-CD1 3.81Å |
| 832 | A | 74.5 | Confident | 71.9 | Confident | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -34.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L828 I839 I841 L954 | L828-A832 VanDerWaalsContact O-CB 3.31Å; L828-A832 WeakPolarHBondContact O-CB 3.46Å; L828-A832 PolarHBondContact O-N 2.78Å; A832-I839 HydrophobicContact CB-CD1 4.36Å; A832-I841 HydrophobicContact CB-CD1 3.74Å; A832-L954 HydrophobicContact CB-CD1 4.42Å; A832-L954 HydrophobicContact CB-CD2 4.28Å |
| 833 | H | 71.9 | Confident | 70.9 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.2 | -46 | 172.6 | 178.2 | 42.9 | 0 | 0 | 0 | 112.1 | L829 L830 Y831 I948 L954 | L829-H833 WeakPolarHBondContact O-CB 3.08Å; L829-H833 PolarHBondContact O-N 2.81Å; L830-H833 PolarHBondContact O-N 3.29Å; Y831-H833 VanDerWaalsContact C-N 3.31Å; Y831-H833 PolarHBondContact O-N 3.4Å; H833-I948 HydrophobicContact CB-CD1 4.34Å; H833-L954 HydrophobicContact CB-CD2 4.15Å |
| 834 | R | 70.7 | Confident | 70.3 | Confident | 109 Ų | 109 | 46.1 Ų | 46.1 | 41% | 0.411 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65 | -44 | -177.9 | -77.4 | -173.2 | 173.7 | -140 | -10.4 | 113.5 | N768 L830 Y831 S836 | N768-R834 PolarHBondContact O-NH1 2.66Å; N768-R834 WeakPolarHBondContact OD1-CD 3.36Å; L830-R834 PolarHBondContact O-N 2.74Å; Y831-R834 PolarHBondContact O-N 3.03Å; R834-S836 PolarHBondContact O-N 3.18Å |
| 835 | K | 66.3 | Low | 69.7 | Low | 97 Ų | 97 | 48.5 Ų | 48.5 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -80.1 | -8.2 | -172.9 | -76.3 | -91.4 | -177.5 | -174.3 | 0 | 115.1 | Y831 S837 | Y831-K835 HydrophobicContact CD2-CG 4.46Å; Y831-K835 HydrophobicContact CE1-CG 4.22Å; Y831-K835 HydrophobicContact CE2-CD 4.44Å; Y831-K835 HydrophobicContact CE2-CG 3.82Å; Y831-K835 PolarHBondContact O-N 2.96Å; Y831-K835 VanDerWaalsContact O-N 3.1Å; K835-S837 PolarHBondContact O-N 2.76Å |
| 836 | S | 56.2 | Low | 69.4 | Low | 114 Ų | 114 | 53.1 Ų | 53.1 | 80% | 0.797 | 29% | 0.294 | S | S | * | . | trans | 52.7 | 5.8 | -174 | -63.2 | 0 | 0 | 0 | 0 | 116.5 | R834 | R834-S836 PolarHBondContact O-N 3.18Š| ||
| 837 | S | 53.9 | Low | 69.3 | Low | 53 Ų | 53 | 54.2 Ų | 54.2 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | trans | -78.4 | 147.9 | -175.9 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | K835 I839 | K835-S837 PolarHBondContact O-N 2.76Å; S837-I839 PolarHBondContact O-N 3.47Å | ||
| 838 | T | 51.8 | Low | 69.4 | Low | 131 Ų | 131 | 54.2 Ų | 54.2 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | trans | -73.3 | 60 | -177.7 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | S840 | T838-S840 PolarHBondContact O-N 2.81Š| ||
| 839 | I | 58.2 | Low | 69.6 | Low | 26 Ų | 26 | 57.5 Ų | 57.5 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | trans | -80.9 | 111.3 | 172.5 | -58.6 | 171.9 | 0 | 0 | 0 | 107.9 | Y831 A832 S837 I841 | Y831-I839 HydrophobicContact CD1-CD1 4.08Å; Y831-I839 HydrophobicContact CE1-CD1 3.81Å; A832-I839 HydrophobicContact CB-CD1 4.36Å; S837-I839 PolarHBondContact O-N 3.47Å; I839-I841 HydrophobicContact CG2-CG1 4.02Å; I839-I841 PolarHBondContact O-N 2.81Å | ||
| 840 | S | 55.5 | Low | 69.9 | Low | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | trans | -75.7 | 91.3 | 176 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | T838 D842 | T838-S840 PolarHBondContact O-N 2.81Å; S840-D842 WeakPolarHBondContact CB-OD1 3.4Å; S840-D842 PolarHBondContact O-N 2.85Å; S840-D842 PolarHBondContact OG-OD2 2.78Å | ||
| 841 | I | 62.1 | Low | 70.4 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | trans | -77.8 | 80.1 | 171.2 | -58.7 | 179.1 | 0 | 0 | 0 | 107.9 | L828 L829 A832 I839 T843 L954 | L828-I841 HydrophobicContact CB-CD1 4.45Å; L829-I841 HydrophobicContact CD2-CD1 3.89Å; L829-I841 HydrophobicContact CD2-CG2 4.23Å; A832-I841 HydrophobicContact CB-CD1 3.74Å; I839-I841 HydrophobicContact CG2-CG1 4.02Å; I839-I841 PolarHBondContact O-N 2.81Å; I841-T843 PolarHBondContact O-N 3.01Å; I841-L954 HydrophobicContact CD1-CD1 4.32Å | ||
| 842 | D | 61.2 | Low | 71.1 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | trans | -72.6 | 25.4 | -175.4 | -58.4 | -43.1 | 0 | 0 | 0 | 113.7 | S789 S840 Q844 | S789-D842 PolarHBondContact OG-O 3.45Å; S840-D842 WeakPolarHBondContact CB-OD1 3.4Å; S840-D842 PolarHBondContact O-N 2.85Å; S840-D842 PolarHBondContact OG-OD2 2.78Å; D842-Q844 PolarHBondContact O-N 2.9Å | ||
| 843 | T | 70.2 | Confident | 71.6 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | trans | -79.6 | 95.4 | 175.8 | -43 | 0 | 0 | 0 | 0 | 109.2 | L792 I841 Q847 W848 | L792-T843 HydrophobicContact CD2-CG2 3.8Å; I841-T843 PolarHBondContact O-N 3.01Å; T843-Q847 HydrophobicContact CG2-CB 4.31Å; T843-W848 HydrophobicContact CG2-CD2 4.28Å; T843-W848 HydrophobicContact CG2-CG 4.47Å; T843-W848 HydrophobicContact CG2-CZ2 4.09Å; T843-W848 PolarHBondContact O-NE1 3.38Å | ||
| 844 | Q | 73.1 | Confident | 72.3 | Confident | 128 Ų | 128 | 61 Ų | 61 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | trans | -60.3 | 149.9 | -175.1 | -62.9 | -174.2 | -0.5 | 0 | 0 | 112 | D842 I846 Q847 W848 | D842-Q844 PolarHBondContact O-N 2.9Å; Q844-I846 HydrophobicContact CB-CG2 4.11Å; Q844-I846 PolarHBondContact O-N 3.48Å; Q844-Q847 HydrophobicContact CB-CG 4.34Å; Q844-Q847 WeakPolarHBondContact O-CB 3.21Å; Q844-Q847 PolarHBondContact O-N 2.86Å; Q844-W848 PolarHBondContact O-N 2.88Å | ||
| 845 | A | 74.2 | Confident | 73.2 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -47.9 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q849 S960 | A845-Q849 VanDerWaalsContact O-CG 3.31Å; A845-Q849 WeakPolarHBondContact O-CG 3.2Å; A845-Q849 PolarHBondContact O-N 3.45Å; A845-S960 WeakPolarHBondContact CA-OG 3.47Å; A845-S960 WeakPolarHBondContact CB-OG 3.41Å; A845-S960 PolarHBondContact O-OG 3.49Å |
| 846 | I | 80.8 | Confident | 74.1 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.3 | -26 | -180 | -160.7 | 165.9 | 0 | 0 | 0 | 113.6 | Q844 T850 | Q844-I846 HydrophobicContact CB-CG2 4.11Å; Q844-I846 PolarHBondContact O-N 3.48Å; I846-T850 HydrophobicContact CG1-CG2 4.37Å; I846-T850 WeakPolarHBondContact O-CB 3.45Å; I846-T850 VanDerWaalsContact O-CG2 3.3Å; I846-T850 WeakPolarHBondContact O-CG2 3.18Å; I846-T850 PolarHBondContact O-N 3.38Å; I846-T850 PolarHBondContact O-OG1 2.89Å |
| 847 | Q | 81.9 | Confident | 75.6 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.9 | -43.4 | 177.1 | -67.1 | 173.8 | -63.3 | 0 | 0 | 111.2 | S789 L792 T793 T843 Q844 T850 A851 | S789-Q847 PolarHBondContact O-NE2 2.86Å; S789-Q847 PolarHBondContact OG-NE2 3.11Å; S789-Q847 PolarHBondContact OG-OE1 3.45Å; S789-Q847 VanDerWaalsContact OG-OE1 3.11Å; L792-Q847 HydrophobicContact CD2-CB 3.89Å; T793-Q847 PolarHBondContact OG1-NE2 2.96Å; T843-Q847 HydrophobicContact CG2-CB 4.31Å; Q844-Q847 HydrophobicContact CB-CG 4.34Å; Q844-Q847 WeakPolarHBondContact O-CB 3.21Å; Q844-Q847 PolarHBondContact O-N 2.86Å; Q847-T850 WeakPolarHBondContact CA-OG1 3.47Å; Q847-T850 PolarHBondContact O-N 2.83Å; Q847-T850 PolarHBondContact O-OG1 3.04Å; Q847-T850 VanDerWaalsContact O-OG1 3.13Å; Q847-A851 VanDerWaalsContact O-CB 3.31Å; Q847-A851 WeakPolarHBondContact O-CB 3.44Å; Q847-A851 PolarHBondContact O-N 3.24Å |
| 848 | W | 84 | Confident | 77.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 171.4 | -66.2 | 106.1 | 0 | 0 | 0 | 111.6 | L822 L829 T843 Q844 T850 A851 V852 F936 C961 | L822-W848 HydrophobicContact CD2-CE3 3.76Å; L822-W848 HydrophobicContact CD2-CZ3 3.66Å; L829-W848 HydrophobicContact CD1-CH2 4.17Å; L829-W848 HydrophobicContact CD1-CZ2 4Å; T843-W848 HydrophobicContact CG2-CD2 4.28Å; T843-W848 HydrophobicContact CG2-CG 4.47Å; T843-W848 HydrophobicContact CG2-CZ2 4.09Å; T843-W848 PolarHBondContact O-NE1 3.38Å; Q844-W848 PolarHBondContact O-N 2.88Å; W848-T850 PolarHBondContact O-N 2.95Å; W848-A851 PolarHBondContact O-N 3.32Å; W848-V852 WeakPolarHBondContact O-CG2 3.48Å; W848-V852 PolarHBondContact O-N 2.9Å; W848-V852 VanDerWaalsContact O-N 3.08Å; W848-F936 HydrophobicContact CE3-CE2 4.25Å; W848-F936 AromaticContact CE3-CZ 3.83Å; W848-F936 HydrophobicContact CE3-CZ 3.83Å; W848-F936 AromaticContact CZ3-CE2 3.71Å; W848-F936 HydrophobicContact CZ3-CE2 3.71Å; W848-F936 AromaticContact CZ3-CZ 3.79Å; W848-F936 HydrophobicContact CZ3-CZ 3.79Å; W848-C961 HydrophobicContact CD2-CB 4.18Å; W848-C961 HydrophobicContact CE3-CB 4.4Å; W848-C961 HydrophobicContact CZ2-CB 4.46Å |
| 849 | Q | 84.5 | Confident | 78.5 | Confident | 82 Ų | 82 | 45.3 Ų | 45.3 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 180 | -68.8 | 173.2 | 21.8 | 0 | 0 | 112.7 | A845 H853 | A845-Q849 VanDerWaalsContact O-CG 3.31Å; A845-Q849 WeakPolarHBondContact O-CG 3.2Å; A845-Q849 PolarHBondContact O-N 3.45Å; Q849-H853 WeakPolarHBondContact O-CB 3.3Å; Q849-H853 PolarHBondContact O-N 3.39Å |
| 850 | T | 86.6 | Confident | 79.1 | Confident | 52 Ų | 52 | 44.9 Ų | 44.9 | 32% | 0.319 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.2 | -40.3 | 177.1 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | I846 Q847 W848 H853 H854 | I846-T850 HydrophobicContact CG1-CG2 4.37Å; I846-T850 WeakPolarHBondContact O-CB 3.45Å; I846-T850 VanDerWaalsContact O-CG2 3.3Å; I846-T850 WeakPolarHBondContact O-CG2 3.18Å; I846-T850 PolarHBondContact O-N 3.38Å; I846-T850 PolarHBondContact O-OG1 2.89Å; Q847-T850 WeakPolarHBondContact CA-OG1 3.47Å; Q847-T850 PolarHBondContact O-N 2.83Å; Q847-T850 PolarHBondContact O-OG1 3.04Å; Q847-T850 VanDerWaalsContact O-OG1 3.13Å; W848-T850 PolarHBondContact O-N 2.95Å; T850-H853 PolarHBondContact O-N 2.76Å; T850-H854 WeakPolarHBondContact O-CB 3.47Å; T850-H854 PolarHBondContact O-CD2 2.79Å; T850-H854 VanDerWaalsContact O-CD2 3.23Å; T850-H854 PolarHBondContact O-N 2.9Å |
| 851 | A | 87.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.9 | -52.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L792 I796 L818 L822 Q847 W848 H854 L855 | L792-A851 HydrophobicContact CD1-CB 3.89Å; I796-A851 HydrophobicContact CD1-CB 4.08Å; L818-A851 HydrophobicContact CD1-CB 4.25Å; L822-A851 HydrophobicContact CD1-CB 4.4Å; L822-A851 HydrophobicContact CD2-CB 4.24Å; Q847-A851 VanDerWaalsContact O-CB 3.31Å; Q847-A851 WeakPolarHBondContact O-CB 3.44Å; Q847-A851 PolarHBondContact O-N 3.24Å; W848-A851 PolarHBondContact O-N 3.32Å; A851-H854 PolarHBondContact O-N 2.96Å; A851-L855 PolarHBondContact O-N 3.06Å |
| 852 | V | 87.3 | Confident | 78.7 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | W848 H854 L855 I856 L933 F936 S964 I965 I970 | W848-V852 WeakPolarHBondContact O-CG2 3.48Å; W848-V852 PolarHBondContact O-N 2.9Å; W848-V852 VanDerWaalsContact O-N 3.08Å; V852-H854 VanDerWaalsContact C-N 3.29Å; V852-H854 PolarHBondContact O-N 3.37Å; V852-L855 PolarHBondContact O-N 3Å; V852-I856 HydrophobicContact CG1-CD1 3.72Å; V852-I856 HydrophobicContact CG1-CG1 4.43Å; V852-I856 WeakPolarHBondContact O-CB 3.47Å; V852-I856 VanDerWaalsContact O-CG1 3.32Å; V852-I856 WeakPolarHBondContact O-CG1 3.47Å; V852-I856 PolarHBondContact O-N 2.75Å; V852-L933 HydrophobicContact CG1-CD1 4.45Å; V852-F936 HydrophobicContact CG2-CD1 4.31Å; V852-F936 HydrophobicContact CG2-CE1 3.61Å; V852-S964 WeakPolarHBondContact CG1-O 3.4Å; V852-I965 HydrophobicContact CG2-CG1 4.17Å; V852-I970 HydrophobicContact CG1-CD1 3.93Å |
| 853 | H | 86.3 | Confident | 77.7 | Confident | 91 Ų | 91 | 46.9 Ų | 46.9 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.4 | -31.6 | 177.9 | -169.4 | -112.7 | 0 | 0 | 0 | 112.5 | Q849 T850 R857 R973 | Q849-H853 WeakPolarHBondContact O-CB 3.3Å; Q849-H853 PolarHBondContact O-N 3.39Å; T850-H853 PolarHBondContact O-N 2.76Å; H853-R857 VanDerWaalsContact O-CB 3.24Å; H853-R857 WeakPolarHBondContact O-CB 3.25Å; H853-R857 PolarHBondContact O-N 2.75Å; H853-R973 PolarHBondContact CD2-NH1 3.47Å; H853-R973 PolarHBondContact NE2-NH1 3.07Å |
| 854 | H | 86.7 | Confident | 75.7 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 15% | 0.148 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.5 | -43.1 | 173.3 | -89 | -73.4 | 0 | 0 | 0 | 113 | R800 T850 A851 V852 I856 R857 L858 | R800-H854 VanDerWaalsContact CG-CE1 3.48Å; R800-H854 WeakPolarHBondContact CG-CE1 3.13Å; T850-H854 WeakPolarHBondContact O-CB 3.47Å; T850-H854 PolarHBondContact O-CD2 2.79Å; T850-H854 VanDerWaalsContact O-CD2 3.23Å; T850-H854 PolarHBondContact O-N 2.9Å; A851-H854 PolarHBondContact O-N 2.96Å; V852-H854 VanDerWaalsContact C-N 3.29Å; V852-H854 PolarHBondContact O-N 3.37Å; H854-I856 VanDerWaalsContact C-N 3.35Å; H854-I856 PolarHBondContact O-N 3.47Å; H854-R857 PolarHBondContact O-N 3.38Å; H854-L858 WeakPolarHBondContact O-CG 3.45Å; H854-L858 PolarHBondContact O-N 3.41Å |
| 855 | L | 88.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 172.6 | -74.8 | 174.4 | 0 | 0 | 0 | 111.1 | V815 L818 L822 A851 V852 L858 V859 A929 | V815-L855 HydrophobicContact CG1-CD2 4.11Å; L818-L855 HydrophobicContact CD2-CD1 4.44Å; L818-L855 HydrophobicContact CD2-CD2 3.89Å; L818-L855 HydrophobicContact CD2-CG 3.89Å; L818-L855 HydrophobicContact CG-CD2 4.46Å; L822-L855 HydrophobicContact CD1-CD1 3.8Å; A851-L855 PolarHBondContact O-N 3.06Å; V852-L855 PolarHBondContact O-N 3Å; L855-L858 PolarHBondContact O-N 2.81Å; L855-V859 PolarHBondContact O-N 3.26Å; L855-A929 HydrophobicContact CD2-CB 4.23Å |
| 856 | I | 86.5 | Confident | 71.1 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.7 | -67.1 | 169.7 | 0 | 0 | 0 | 110.4 | V852 H854 L858 V859 T860 L933 I970 R973 | V852-I856 HydrophobicContact CG1-CD1 3.72Å; V852-I856 HydrophobicContact CG1-CG1 4.43Å; V852-I856 WeakPolarHBondContact O-CB 3.47Å; V852-I856 VanDerWaalsContact O-CG1 3.32Å; V852-I856 WeakPolarHBondContact O-CG1 3.47Å; V852-I856 PolarHBondContact O-N 2.75Å; H854-I856 VanDerWaalsContact C-N 3.35Å; H854-I856 PolarHBondContact O-N 3.47Å; I856-L858 PolarHBondContact O-N 3.18Å; I856-L858 VanDerWaalsContact O-N 3.16Å; I856-V859 PolarHBondContact O-N 3.17Å; I856-T860 HydrophobicContact CG2-CG2 3.95Å; I856-T860 VanDerWaalsContact O-CG2 3.24Å; I856-T860 WeakPolarHBondContact O-CG2 3.48Å; I856-T860 PolarHBondContact O-N 3.07Å; I856-T860 PolarHBondContact O-OG1 3.49Å; I856-T860 VanDerWaalsContact O-OG1 3.09Å; I856-L933 HydrophobicContact CG1-CD2 4.23Å; I856-I970 HydrophobicContact CD1-CB 3.98Å; I856-I970 HydrophobicContact CD1-CD1 3.83Å; I856-I970 HydrophobicContact CD1-CG1 3.5Å; I856-I970 HydrophobicContact CD1-CG2 3.55Å; I856-R973 HydrophobicContact CG2-CB 4.34Å |
| 857 | R | 86.4 | Confident | 68.6 | Low | 162 Ų | 162 | 57.1 Ų | 57.1 | 61% | 0.611 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -54 | -38.9 | 177.3 | -173.4 | 173.4 | -179.4 | 174 | 0.7 | 112.1 | H853 H854 T860 S861 | H853-R857 VanDerWaalsContact O-CB 3.24Å; H853-R857 WeakPolarHBondContact O-CB 3.25Å; H853-R857 PolarHBondContact O-N 2.75Å; H854-R857 PolarHBondContact O-N 3.38Å; R857-T860 VanDerWaalsContact CA-OG1 3.28Å; R857-T860 WeakPolarHBondContact CA-OG1 3.28Å; R857-T860 PolarHBondContact O-N 2.89Å; R857-T860 PolarHBondContact O-OG1 3.03Å; R857-S861 PolarHBondContact O-N 2.93Å |
| 858 | L | 85.2 | Confident | 65.8 | Low | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.5 | -32.9 | 175.9 | -68.9 | 168.4 | 0 | 0 | 0 | 113.8 | I799 V815 H854 L855 I856 T860 I925 R926 A929 | I799-L858 HydrophobicContact CG2-CD1 3.84Å; I799-L858 HydrophobicContact CG2-CG 4.49Å; V815-L858 HydrophobicContact CG2-CD1 3.42Å; V815-L858 VanDerWaalsContact CG2-CD1 3.42Å; H854-L858 WeakPolarHBondContact O-CG 3.45Å; H854-L858 PolarHBondContact O-N 3.41Å; L855-L858 PolarHBondContact O-N 2.81Å; I856-L858 PolarHBondContact O-N 3.18Å; I856-L858 VanDerWaalsContact O-N 3.16Å; L858-T860 VanDerWaalsContact C-N 3.27Å; L858-I925 HydrophobicContact CD2-CG2 4.19Å; L858-R926 WeakPolarHBondContact O-CG 3.3Å; L858-A929 HydrophobicContact CB-CB 3.8Å; L858-A929 HydrophobicContact CD1-CB 4.47Å |
| 859 | V | 82.3 | Confident | 62.9 | Low | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 169.4 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L855 I856 R926 A929 L996 | L855-V859 PolarHBondContact O-N 3.26Å; I856-V859 PolarHBondContact O-N 3.17Å; V859-R926 VanDerWaalsContact O-CZ 3.29Å; V859-R926 PolarHBondContact O-NE 3.07Å; V859-R926 PolarHBondContact O-NH2 3.4Å; V859-A929 HydrophobicContact CG2-CB 3.89Å; V859-L996 HydrophobicContact CG1-CD1 4.49Å |
| 860 | T | 69.7 | Low | 60.2 | Low | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.104 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -90.6 | -1.5 | -171.2 | 62.4 | 0 | 0 | 0 | 0 | 116.4 | I856 R857 L858 T862 R973 Q977 | I856-T860 HydrophobicContact CG2-CG2 3.95Å; I856-T860 VanDerWaalsContact O-CG2 3.24Å; I856-T860 WeakPolarHBondContact O-CG2 3.48Å; I856-T860 PolarHBondContact O-N 3.07Å; I856-T860 PolarHBondContact O-OG1 3.49Å; I856-T860 VanDerWaalsContact O-OG1 3.09Å; R857-T860 VanDerWaalsContact CA-OG1 3.28Å; R857-T860 WeakPolarHBondContact CA-OG1 3.28Å; R857-T860 PolarHBondContact O-N 2.89Å; R857-T860 PolarHBondContact O-OG1 3.03Å; L858-T860 VanDerWaalsContact C-N 3.27Å; T860-T862 PolarHBondContact O-N 3.01Å; T860-R973 HydrophobicContact CG2-CB 4.24Å; T860-Q977 HydrophobicContact CG2-CB 3.87Å; T860-Q977 HydrophobicContact CG2-CG 4.42Å; T860-Q977 PolarHBondContact O-NE2 3.15Å |
| 861 | S | 60.8 | Low | 57.2 | Low | 32 Ų | 32 | 73.5 Ų | 73.5 | 22% | 0.224 | 43% | 0.432 | C | S | . | . | trans | -74 | 120.3 | -173.4 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | R857 E922 | R857-S861 PolarHBondContact O-N 2.93Å; S861-E922 WeakPolarHBondContact CB-OE1 3.32Å; S861-E922 PolarHBondContact OG-OE1 2.74Å | ||
| 862 | T | 48.9 | Very low | 54.1 | Low | 89 Ų | 89 | 78.9 Ų | 78.9 | 55% | 0.546 | 47% | 0.469 | S | S | . | . | trans | -133.3 | 54 | 172.9 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | T860 S864 | T860-T862 PolarHBondContact O-N 3.01Å; T862-S864 PolarHBondContact O-N 3.22Å | ||
| 863 | T | 40.3 | Very low | 51.1 | Low | 106 Ų | 106 | 86.5 Ų | 86.5 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | trans | -71.5 | 92.9 | 173.1 | 37.4 | 0 | 0 | 0 | 0 | 110.6 | I865 | T863-I865 PolarHBondContact O-N 3.37Š| ||
| 864 | S | 28.3 | Very low | 48.1 | Very low | 118 Ų | 118 | 87.8 Ų | 87.8 | 83% | 0.825 | 53% | 0.529 | S | S | * | . | trans | -64.8 | 93.6 | 173.6 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | T862 | T862-S864 PolarHBondContact O-N 3.22Š| ||
| 865 | I | 28.1 | Very low | 45 | Very low | 139 Ų | 139 | 90 Ų | 90 | 71% | 0.713 | 55% | 0.553 | S | S | * | * | trans | -93.7 | 109.1 | 166 | -60.8 | 180 | 0 | 0 | 0 | 107.9 | T863 T867 | T863-I865 PolarHBondContact O-N 3.37Å; I865-T867 HydrophobicContact CG2-CG2 4.32Å; I865-T867 PolarHBondContact O-N 2.97Å; I865-T867 VanDerWaalsContact O-N 3.17Å | ||
| 866 | S | 23.6 | Very low | 41.9 | Very low | 110 Ų | 110 | 97.2 Ų | 97.2 | 77% | 0.769 | 59% | 0.592 | S | S | * | * | trans | -71.5 | 100.4 | 174.3 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | S868 | S866-S868 PolarHBondContact O-N 3.06Š| ||
| 867 | T | 26.6 | Very low | 39 | Very low | 133 Ų | 133 | 105.2 Ų | 105.2 | 82% | 0.816 | 63% | 0.634 | S | S | * | * | trans | -86.7 | 81.1 | 175.4 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | I865 | I865-T867 HydrophobicContact CG2-CG2 4.32Å; I865-T867 PolarHBondContact O-N 2.97Å; I865-T867 VanDerWaalsContact O-N 3.17Å | ||
| 868 | S | 24.9 | Very low | 36.1 | Very low | 95 Ų | 95 | 106.2 Ų | 106.2 | 66% | 0.664 | 65% | 0.646 | S | S | * | * | trans | -68 | 139.4 | 160.2 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | S866 L870 | S866-S868 PolarHBondContact O-N 3.06Å; S868-L870 PolarHBondContact O-N 3.47Å; S868-L870 VanDerWaalsContact O-N 3.12Å | ||
| 869 | N | 23.1 | Very low | 33.6 | Very low | 165 Ų | 165 | 111.4 Ų | 111.4 | 88% | 0.882 | 68% | 0.68 | S | S | * | * | trans | 0.8 | 87.1 | 165.8 | -62 | -5.8 | 0 | 0 | 0 | 118.1 | ||||
| 870 | L | 26.9 | Very low | 31.8 | Very low | 172 Ų | 172 | 116.4 Ų | 116.4 | 90% | 0.901 | 71% | 0.711 | S | S | * | * | trans | -134.6 | 144.2 | 138.9 | -73.3 | 97.4 | 0 | 0 | 0 | 106.8 | S868 | S868-L870 PolarHBondContact O-N 3.47Å; S868-L870 VanDerWaalsContact O-N 3.12Å | ||
| 871 | G | 23.5 | Very low | 31 | Very low | 70 Ų | 70 | 116.5 Ų | 116.5 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | cis | 152.1 | 118.7 | 4.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | N873 | G871-N873 PolarHBondContact O-N 3.47Š| ||
| 872 | S | 23.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 116.1 Ų | 116.1 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | trans | -62.3 | 130.6 | -173.3 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 873 | N | 23.7 | Very low | 31.4 | Very low | 162 Ų | 162 | 112 Ų | 112 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | trans | -173.1 | 151.3 | 137.6 | -98.4 | -25.7 | 0 | 0 | 0 | 114.6 | G871 | G871-N873 PolarHBondContact O-N 3.47Š| ||
| 874 | S | 22.8 | Very low | 32.2 | Very low | 118 Ų | 118 | 108.4 Ų | 108.4 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | trans | 60.9 | 124.8 | 157.3 | -152.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 875 | A | 22.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 105.8 Ų | 105.8 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | trans | -55.6 | 153.4 | 170 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 876 | N | 23.6 | Very low | 35 | Very low | 152 Ų | 152 | 99.7 Ų | 99.7 | 81% | 0.813 | 61% | 0.613 | S | S | * | * | -166.2 | 150.3 | 108.9 | -93.3 | -40.8 | 0 | 0 | 0 | 111.6 | E878 | N876-E878 PolarHBondContact O-N 3.33Š| |||
| 877 | N | 24.3 | Very low | 36.5 | Very low | 170 Ų | 170 | 95.4 Ų | 95.4 | 91% | 0.909 | 58% | 0.581 | S | S | * | * | trans | -80.6 | 100.1 | 172.6 | -67.4 | -30.6 | 0 | 0 | 0 | 109.3 | ||||
| 878 | E | 27 | Very low | 37.5 | Very low | 182 Ų | 182 | 90 Ų | 90 | 85% | 0.85 | 55% | 0.552 | S | S | * | * | trans | -74.2 | 134.1 | 168.8 | -69.6 | -158.6 | 127.5 | 0 | 0 | 110.6 | N876 | N876-E878 PolarHBondContact O-N 3.33Š| ||
| 879 | P | 30.9 | Very low | 38.2 | Very low | 119 Ų | 119 | 86.6 Ų | 86.6 | 77% | 0.773 | 53% | 0.53 | S | S | * | . | trans | -72.8 | 142.1 | -173.2 | 29.7 | -35.2 | 0 | 0 | 0 | 111.9 | S881 | P879-S881 PolarHBondContact O-N 3.47Å; P879-S881 VanDerWaalsContact O-N 3.14Å | ||
| 880 | T | 46.2 | Very low | 39 | Very low | 106 Ų | 106 | 79.8 Ų | 79.8 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | trans | -61.6 | 113.1 | 173.3 | 36 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 881 | S | 52.6 | Low | 39.4 | Very low | 18 Ų | 18 | 72.6 Ų | 72.6 | 13% | 0.126 | 46% | 0.459 | C | S | . | . | trans | -68.6 | 143.6 | 178.4 | -160.3 | 0 | 0 | 0 | 0 | 110.1 | D744 P879 L883 D884 | D744-S881 WeakPolarHBondContact OD2-CB 3.24Å; D744-S881 PolarHBondContact OD2-OG 3.27Å; P879-S881 PolarHBondContact O-N 3.47Å; P879-S881 VanDerWaalsContact O-N 3.14Å; S881-L883 PolarHBondContact O-N 2.75Å; S881-D884 WeakPolarHBondContact CB-OD1 3.13Å; S881-D884 WeakPolarHBondContact O-CB 3.38Å; S881-D884 PolarHBondContact O-N 3.37Å | ||
| 882 | I | 58.1 | Low | 39.8 | Very low | 24 Ų | 24 | 77.5 Ų | 77.5 | 12% | 0.123 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -59.3 | -24.4 | 177.8 | -162.8 | 169 | 0 | 0 | 0 | 112.3 | P617 P618 N685 A688 D884 A885 | P617-I882 HydrophobicContact CB-CD1 3.66Å; P617-I882 HydrophobicContact CB-CG1 4Å; P618-I882 HydrophobicContact CG-CD1 3.98Å; P618-I882 HydrophobicContact CG-CG1 4.13Å; N685-I882 HydrophobicContact CB-CD1 4.46Å; N685-I882 VanDerWaalsContact OD1-CD1 3.23Å; N685-I882 WeakPolarHBondContact OD1-CD1 3.35Å; N685-I882 WeakPolarHBondContact OD1-CG2 3.36Å; A688-I882 HydrophobicContact CB-CG1 4.47Å; A688-I882 HydrophobicContact CB-CG2 4.02Å; I882-D884 VanDerWaalsContact C-N 3.29Å; I882-D884 PolarHBondContact O-N 3.17Å; I882-A885 WeakPolarHBondContact O-CB 3.48Å |
| 883 | L | 60 | Low | 40.3 | Very low | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.016 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -75.4 | -15.6 | 177.3 | -64.9 | 169.7 | 0 | 0 | 0 | 113.2 | T684 A688 I691 D744 R751 S881 A885 F886 | T684-L883 HydrophobicContact CG2-CD1 4.1Å; A688-L883 HydrophobicContact CB-CD2 3.86Å; I691-L883 HydrophobicContact CD1-CD2 4.41Å; D744-L883 HydrophobicContact CB-CD1 4.33Å; D744-L883 WeakPolarHBondContact O-CD1 3.21Å; R751-L883 PolarHBondContact NH1-O 3.24Å; S881-L883 PolarHBondContact O-N 2.75Å; L883-A885 PolarHBondContact O-N 2.64Å; L883-F886 HydrophobicContact CD2-CD2 4.16Å; L883-F886 HydrophobicContact CD2-CE2 4.07Å; L883-F886 PolarHBondContact O-N 3.07Å; L883-F886 VanDerWaalsContact O-N 3.13Å |
| 884 | D | 57.3 | Low | 40.6 | Very low | 30 Ų | 30 | 72 Ų | 72 | 16% | 0.16 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -66.3 | -22.4 | 175.8 | -66.9 | 11.6 | 0 | 0 | 0 | 111.6 | R809 S881 I882 F886 D887 | R809-D884 IonicContact CZ-OD1 3.19Å; R809-D884 IonicContact CZ-OD2 3.78Å; R809-D884 IonicContact NH1-OD1 2.86Å; R809-D884 PolarHBondContact NH1-OD1 3.3Å; R809-D884 IonicContact NH1-OD2 3Å; R809-D884 PolarHBondContact NH1-OD2 3.36Å; R809-D884 IonicContact NH2-OD1 2.75Å; R809-D884 PolarHBondContact NH2-OD1 3.28Å; R809-D884 IonicContact NH2-OD2 3.75Å; R809-D884 PolarHBondContact NH2-OD2 3.45Å; S881-D884 WeakPolarHBondContact CB-OD1 3.13Å; S881-D884 WeakPolarHBondContact O-CB 3.38Å; S881-D884 PolarHBondContact O-N 3.37Å; I882-D884 VanDerWaalsContact C-N 3.29Å; I882-D884 PolarHBondContact O-N 3.17Å; D884-F886 PolarHBondContact O-N 3.49Å; D884-F886 VanDerWaalsContact O-N 3.13Å; D884-D887 WeakPolarHBondContact O-CB 3.5Å; D884-D887 PolarHBondContact O-N 3.44Å |
| 885 | A | 56.8 | Low | 40.8 | Very low | 64 Ų | 64 | 73.7 Ų | 73.7 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -56.3 | -27.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | I882 L883 | I882-A885 WeakPolarHBondContact O-CB 3.48Å; L883-A885 PolarHBondContact O-N 2.64Å |
| 886 | F | 58.8 | Low | 41 | Very low | 10 Ų | 10 | 74.6 Ų | 74.6 | 4% | 0.044 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -91.2 | -5.1 | 177.9 | -52.1 | -67 | 0 | 0 | 0 | 113.9 | W612 P617 A688 I691 L883 D884 G888 | W612-F886 HydrophobicContact CB-CD1 3.89Å; W612-F886 HydrophobicContact CB-CE1 3.92Å; W612-F886 AromaticContact CD1-CD1 3.65Å; W612-F886 HydrophobicContact CD2-CD1 4.05Å; W612-F886 AromaticContact CG-CD1 3.57Å; W612-F886 HydrophobicContact CG-CD1 3.57Å; W612-F886 HydrophobicContact CG-CE1 4.1Å; W612-F886 HydrophobicContact CG-CG 4.46Å; P617-F886 HydrophobicContact CG-CZ 4.24Å; A688-F886 HydrophobicContact CB-CE2 3.96Å; A688-F886 HydrophobicContact CB-CZ 4.46Å; I691-F886 HydrophobicContact CG2-CE1 4.29Å; I691-F886 HydrophobicContact CG2-CE2 4.46Å; I691-F886 HydrophobicContact CG2-CZ 4.14Å; L883-F886 HydrophobicContact CD2-CD2 4.16Å; L883-F886 HydrophobicContact CD2-CE2 4.07Å; L883-F886 PolarHBondContact O-N 3.07Å; L883-F886 VanDerWaalsContact O-N 3.13Å; D884-F886 PolarHBondContact O-N 3.49Å; D884-F886 VanDerWaalsContact O-N 3.13Å; F886-G888 VanDerWaalsContact C-N 3.34Å; F886-G888 PolarHBondContact O-N 3.16Å |
| 887 | D | 54.1 | Low | 41 | Very low | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.112 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -70.5 | -24.6 | -176 | -85 | 14.8 | 0 | 0 | 0 | 114.1 | R751 R809 D884 A889 | R751-D887 IonicContact CZ-OD1 2.95Å; R751-D887 VanDerWaalsContact CZ-OD1 3.24Å; R751-D887 IonicContact NH1-OD1 3Å; R751-D887 PolarHBondContact NH1-OD1 3.09Å; R751-D887 IonicContact NH2-OD1 3.2Å; R751-D887 PolarHBondContact NH2-OD1 2.9Å; R809-D887 IonicContact CZ-OD2 3.99Å; R809-D887 IonicContact NE-OD2 2.68Å; R809-D887 PolarHBondContact NE-OD2 2.83Å; R809-D887 IonicContact NH2-OD2 3.59Å; R809-D887 PolarHBondContact NH2-OD2 3.27Å; D884-D887 WeakPolarHBondContact O-CB 3.5Å; D884-D887 PolarHBondContact O-N 3.44Å; D887-A889 PolarHBondContact O-N 3.35Å |
| 888 | G | 47.4 | Very low | 41.1 | Very low | 20 Ų | 20 | 71.5 Ų | 71.5 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -70.9 | 9.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R611 F886 | R611-G888 PolarHBondContact NH1-O 3.32Å; F886-G888 VanDerWaalsContact C-N 3.34Å; F886-G888 PolarHBondContact O-N 3.16Å |
| 889 | A | 40.8 | Very low | 40.9 | Very low | 23 Ų | 23 | 67 Ų | 67 | 19% | 0.19 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -92.8 | -7.8 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D608 D887 | D608-A889 HydrophobicContact CB-CB 4.23Å; D887-A889 PolarHBondContact O-N 3.35Å |
| 890 | A | 38.1 | Very low | 40.7 | Very low | 22 Ų | 22 | 65.6 Ų | 65.6 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -110.4 | -3.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 891 | I | 36.5 | Very low | 39.6 | Very low | 21 Ų | 21 | 72.2 Ų | 72.2 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -131.7 | -17.6 | -156.1 | -38.9 | 174.1 | 0 | 0 | 0 | 113.8 | N893 L894 | I891-N893 PolarHBondContact O-N 2.96Å; I891-L894 HydrophobicContact CG2-CD1 4.37Å; I891-L894 WeakPolarHBondContact O-CB 3.43Å; I891-L894 WeakPolarHBondContact O-CG 3.31Å; I891-L894 PolarHBondContact O-N 3.29Å |
| 892 | R | 30.7 | Very low | 38.3 | Very low | 172 Ų | 172 | 78.4 Ų | 78.4 | 65% | 0.649 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 38.3 | -168.7 | -76.2 | -159.1 | 178.7 | -164 | 0.6 | 116.8 | ||
| 893 | N | 34.5 | Very low | 36.7 | Very low | 120 Ų | 120 | 82.1 Ų | 82.1 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 1.3 | 146.1 | -77.8 | 5.9 | 0 | 0 | 0 | 111.4 | I891 | I891-N893 PolarHBondContact O-N 2.96Š|
| 894 | L | 30.9 | Very low | 35.1 | Very low | 40 Ų | 40 | 92.7 Ų | 92.7 | 21% | 0.209 | 51% | 0.513 | C | S | . | . | trans | -114.7 | 78.2 | -172.1 | -51.8 | -179.1 | 0 | 0 | 0 | 110.7 | I891 P991 I992 | I891-L894 HydrophobicContact CG2-CD1 4.37Å; I891-L894 WeakPolarHBondContact O-CB 3.43Å; I891-L894 WeakPolarHBondContact O-CG 3.31Å; I891-L894 PolarHBondContact O-N 3.29Å; L894-P991 HydrophobicContact CB-CG 4.37Å; L894-P991 HydrophobicContact CD1-CG 4.29Å; L894-P991 HydrophobicContact CD2-CB 3.81Å; L894-P991 HydrophobicContact CD2-CG 4.05Å; L894-P991 HydrophobicContact CG-CG 4.47Å; L894-I992 HydrophobicContact CD1-CB 4.27Å; L894-I992 HydrophobicContact CD1-CG1 3.53Å | ||
| 895 | E | 25.5 | Very low | 33.5 | Very low | 152 Ų | 152 | 94.3 Ų | 94.3 | 71% | 0.71 | 54% | 0.537 | S | S | * | . | trans | -76.5 | 128.6 | 161.5 | -175.3 | 167.3 | -131.4 | 0 | 0 | 108.9 | T897 | E895-T897 PolarHBondContact O-N 3.4Å; E895-T897 VanDerWaalsContact O-N 3.1Å | ||
| 896 | P | 26.8 | Very low | 32 | Very low | 98 Ų | 98 | 98.8 Ų | 98.8 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | trans | -77.2 | 101.2 | -177.9 | 30.3 | -33.7 | 0 | 0 | 0 | 110.7 | L898 | P896-L898 VanDerWaalsContact C-N 3.26Å; P896-L898 HydrophobicContact CB-CB 4.49Å; P896-L898 PolarHBondContact O-N 3.25Å | ||
| 897 | T | 24.4 | Very low | 30.5 | Very low | 128 Ų | 128 | 107.6 Ų | 107.6 | 79% | 0.785 | 59% | 0.594 | S | S | * | * | trans | -64.5 | 84.1 | 167.4 | 54.7 | 0 | 0 | 0 | 0 | 110 | E895 | E895-T897 PolarHBondContact O-N 3.4Å; E895-T897 VanDerWaalsContact O-N 3.1Å | ||
| 898 | L | 26.6 | Very low | 29.1 | Very low | 128 Ų | 128 | 114.6 Ų | 114.6 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | trans | -124.5 | 65.2 | -168 | -131.4 | 174.9 | 0 | 0 | 0 | 112.7 | P896 S900 | P896-L898 VanDerWaalsContact C-N 3.26Å; P896-L898 HydrophobicContact CB-CB 4.49Å; P896-L898 PolarHBondContact O-N 3.25Å; L898-S900 PolarHBondContact O-N 3.3Å | ||
| 899 | G | 23.1 | Very low | 27.9 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 91% | 0.907 | 65% | 0.652 | S | S | * | * | trans | -68.7 | 67.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 900 | S | 25.2 | Very low | 27 | Very low | 89 Ų | 89 | 125 Ų | 125 | 62% | 0.622 | 68% | 0.683 | S | S | * | * | trans | -166.9 | 96.5 | 163 | -171.6 | 0 | 0 | 0 | 0 | 112.8 | L898 | L898-S900 PolarHBondContact O-N 3.3Š| ||
| 901 | R | 24.1 | Very low | 26.4 | Very low | 246 Ų | 246 | 132.7 Ų | 132.7 | 93% | 0.928 | 71% | 0.714 | S | S | * | * | trans | -159.7 | 113.2 | 136.6 | -126.3 | 174.1 | 178.9 | 172.8 | -1.4 | 112.4 | ||||
| 902 | N | 24.2 | Very low | 25.8 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -72.4 | 151.5 | 165.3 | -69.9 | -27.2 | 0 | 0 | 0 | 110.5 | ||||
| 903 | S | 24.7 | Very low | 25.5 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 41.6 | 94.1 | 147.2 | 63.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 904 | F | 27.6 | Very low | 25 | Very low | 225 Ų | 225 | 134.1 Ų | 134.1 | 99% | 0.987 | 76% | 0.761 | S | S | * | * | -149.5 | 156.5 | 124.3 | -96.8 | -73.3 | 0 | 0 | 0 | 107.5 | |||||
| 905 | G | 23.9 | Very low | 24.7 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -160.6 | -176.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 906 | N | 23.9 | Very low | 24.9 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | 79.8 | 158.9 | -170.6 | -62.1 | -11.4 | 0 | 0 | 0 | 116.3 | ||||
| 907 | E | 27.6 | Very low | 25.2 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | 83.1 | 144.7 | 175.9 | -50.9 | -159.3 | 165.9 | 0 | 0 | 116.7 | ||||
| 908 | E | 23.8 | Very low | 26.3 | Very low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | -130.1 | 173.6 | -148.1 | -63.8 | 168.9 | 150.8 | 0 | 0 | 110.5 | ||||
| 909 | N | 22.6 | Very low | 27.7 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | 87.6 | 148.2 | 163.6 | -50.6 | -64.5 | 0 | 0 | 0 | 119.7 | ||||
| 910 | S | 23.3 | Very low | 29.9 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | trans | 79.5 | 145.6 | 164.1 | 78.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 911 | H | 23.7 | Very low | 32.5 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | trans | -76.4 | 141.8 | -172 | -45.9 | -101.2 | 0 | 0 | 0 | 112.4 | ||||
| 912 | T | 24.1 | Very low | 35.2 | Very low | 136 Ų | 136 | 123.3 Ų | 123.3 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | trans | -173.3 | 137.3 | 136.9 | 14 | 0 | 0 | 0 | 0 | 111.8 | G914 | T912-G914 PolarHBondContact O-N 3Š| ||
| 913 | T | 25 | Very low | 37.7 | Very low | 140 Ų | 140 | 117.3 Ų | 117.3 | 86% | 0.859 | 66% | 0.66 | S | S | * | * | trans | -75.2 | 89.4 | 166.7 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | T915 | T913-T915 PolarHBondContact O-N 2.89Š| ||
| 914 | G | 23 | Very low | 40.4 | Very low | 66 Ų | 66 | 113 Ų | 113 | 68% | 0.68 | 63% | 0.629 | S | S | * | * | trans | -63.9 | 95 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T912 V916 | T912-G914 PolarHBondContact O-N 3Å; G914-V916 PolarHBondContact O-N 3.19Å; G914-V916 VanDerWaalsContact O-N 3.11Å | ||
| 915 | T | 26.4 | Very low | 43.2 | Very low | 109 Ų | 109 | 102.5 Ų | 102.5 | 67% | 0.669 | 58% | 0.583 | S | S | * | * | trans | -61.7 | 110.5 | 163.4 | 44.8 | 0 | 0 | 0 | 0 | 109.5 | T913 N917 | T913-T915 PolarHBondContact O-N 2.89Å; T915-N917 VanDerWaalsContact C-N 3.3Å; T915-N917 PolarHBondContact O-N 3.27Å | ||
| 916 | V | 29.1 | Very low | 46.2 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 69% | 0.685 | 56% | 0.556 | S | S | * | * | trans | -68.4 | 89.2 | 175 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | G914 T918 | G914-V916 PolarHBondContact O-N 3.19Å; G914-V916 VanDerWaalsContact O-N 3.11Å; V916-T918 VanDerWaalsContact C-N 3.26Å; V916-T918 HydrophobicContact CG1-CG2 4.18Å; V916-T918 PolarHBondContact O-N 3.16Å | ||
| 917 | N | 32.4 | Very low | 49.1 | Very low | 97 Ų | 97 | 93.1 Ų | 93.1 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | trans | -68.4 | 83.2 | 173.7 | -79.3 | -8.2 | 0 | 0 | 0 | 109.8 | T915 K919 | T915-N917 VanDerWaalsContact C-N 3.3Å; T915-N917 PolarHBondContact O-N 3.27Å; N917-K919 PolarHBondContact O-N 3.26Å | ||
| 918 | T | 47.5 | Very low | 51.9 | Low | 75 Ų | 75 | 84.1 Ų | 84.1 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | trans | -61.8 | 99.4 | 172.2 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | V916 I920 | V916-T918 VanDerWaalsContact C-N 3.26Å; V916-T918 HydrophobicContact CG1-CG2 4.18Å; V916-T918 PolarHBondContact O-N 3.16Å; T918-I920 PolarHBondContact O-N 3.47Å; T918-I920 VanDerWaalsContact O-N 3.09Å | ||
| 919 | K | 57.4 | Low | 55 | Low | 187 Ų | 187 | 76.1 Ų | 76.1 | 81% | 0.813 | 44% | 0.437 | S | S | * | . | trans | -55.2 | 116.7 | 175.7 | -69 | -174.6 | 177.4 | -177.5 | 0 | 109.4 | N917 T921 | N917-K919 PolarHBondContact O-N 3.26Å; K919-T921 PolarHBondContact O-N 3.34Å | ||
| 920 | I | 68.9 | Low | 58.1 | Low | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.108 | 40% | 0.401 | C | S | . | . | trans | -65.6 | 106.7 | 178.9 | -69.5 | 160.8 | 0 | 0 | 0 | 108.6 | L808 R809 Q812 T918 H924 | L808-I920 HydrophobicContact CB-CG2 4.15Å; L808-I920 WeakPolarHBondContact CD1-O 3.27Å; R809-I920 HydrophobicContact CG-CD1 3.74Å; Q812-I920 HydrophobicContact CB-CG2 4.5Å; Q812-I920 VanDerWaalsContact OE1-CG2 3.26Å; T918-I920 PolarHBondContact O-N 3.47Å; T918-I920 VanDerWaalsContact O-N 3.09Å; I920-H924 HydrophobicContact CG2-CB 4.26Å | ||
| 921 | T | 79.3 | Confident | 61.1 | Low | 62 Ų | 62 | 66.6 Ų | 66.6 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | trans | -87.2 | 166.6 | 174.5 | 58.5 | 0 | 0 | 0 | 0 | 112.2 | K919 S923 H924 | K919-T921 PolarHBondContact O-N 3.34Å; T921-S923 PolarHBondContact O-N 3.08Å; T921-S923 PolarHBondContact OG1-OG 3.01Å; T921-H924 PolarHBondContact N-ND1 2.57Å; T921-H924 WeakPolarHBondContact O-CB 3.46Å; T921-H924 PolarHBondContact O-N 3.35Å; T921-H924 PolarHBondContact OG1-CE1 2.82Å; T921-H924 VanDerWaalsContact OG1-CE1 3.3Å; T921-H924 PolarHBondContact OG1-ND1 2.95Å | ||
| 922 | E | 80.3 | Confident | 64.2 | Low | 79 Ų | 79 | 57.9 Ų | 57.9 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.1 | -34.4 | 174.6 | -174.4 | 171.9 | -176.7 | 0 | 0 | 113.1 | S861 H924 I925 R926 | S861-E922 WeakPolarHBondContact CB-OE1 3.32Å; S861-E922 PolarHBondContact OG-OE1 2.74Å; E922-H924 PolarHBondContact O-N 2.93Å; E922-I925 WeakPolarHBondContact O-CA 3.39Å; E922-I925 WeakPolarHBondContact O-CB 3.46Å; E922-I925 PolarHBondContact O-N 3.21Å; E922-R926 HydrophobicContact CG-CG 4.46Å; E922-R926 WeakPolarHBondContact O-CG 3.2Å; E922-R926 PolarHBondContact O-N 2.89Å |
| 923 | S | 77.7 | Confident | 67.3 | Low | 21 Ų | 21 | 51.4 Ų | 51.4 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -30.1 | 177 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | T921 L927 | T921-S923 PolarHBondContact O-N 3.08Å; T921-S923 PolarHBondContact OG1-OG 3.01Å; S923-L927 WeakPolarHBondContact O-CB 3.28Å; S923-L927 PolarHBondContact O-N 3.01Å |
| 924 | H | 81.8 | Confident | 70.1 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.1 | -30.8 | 173.6 | -61.7 | 97.5 | 0 | 0 | 0 | 112.3 | I920 T921 E922 S928 I992 | I920-H924 HydrophobicContact CG2-CB 4.26Å; T921-H924 PolarHBondContact N-ND1 2.57Å; T921-H924 WeakPolarHBondContact O-CB 3.46Å; T921-H924 PolarHBondContact O-N 3.35Å; T921-H924 PolarHBondContact OG1-CE1 2.82Å; T921-H924 VanDerWaalsContact OG1-CE1 3.3Å; T921-H924 PolarHBondContact OG1-ND1 2.95Å; E922-H924 PolarHBondContact O-N 2.93Å; H924-S928 WeakPolarHBondContact O-CB 3.36Å; H924-S928 PolarHBondContact O-N 3.39Å; H924-S928 PolarHBondContact O-OG 3.3Å; H924-I992 VanDerWaalsContact NE2-CD1 3.32Å; H924-I992 WeakPolarHBondContact NE2-CD1 3.49Å |
| 925 | I | 85.5 | Confident | 73 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.3 | -43.4 | 173.9 | -56.9 | 172.2 | 0 | 0 | 0 | 109.7 | L808 R811 Q812 V815 L858 E922 L927 S928 A929 | L808-I925 HydrophobicContact CB-CD1 4.27Å; L808-I925 HydrophobicContact CD2-CD1 3.67Å; R811-I925 HydrophobicContact CB-CD1 4.09Å; Q812-I925 HydrophobicContact CB-CG1 4.28Å; V815-I925 HydrophobicContact CG2-CG2 4.41Å; L858-I925 HydrophobicContact CD2-CG2 4.19Å; E922-I925 WeakPolarHBondContact O-CA 3.39Å; E922-I925 WeakPolarHBondContact O-CB 3.46Å; E922-I925 PolarHBondContact O-N 3.21Å; I925-L927 VanDerWaalsContact C-N 3.34Å; I925-L927 PolarHBondContact O-N 3.19Å; I925-S928 PolarHBondContact O-N 3.4Å; I925-A929 WeakPolarHBondContact O-CB 3.35Å; I925-A929 PolarHBondContact O-N 3.43Å |
| 926 | R | 86.7 | Confident | 76 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.4 | -48.6 | 172.4 | -61 | -175 | 69.7 | -164.9 | 0.5 | 111.2 | L858 V859 E922 A929 S930 Q977 L996 | L858-R926 WeakPolarHBondContact O-CG 3.3Å; V859-R926 VanDerWaalsContact O-CZ 3.29Å; V859-R926 PolarHBondContact O-NE 3.07Å; V859-R926 PolarHBondContact O-NH2 3.4Å; E922-R926 HydrophobicContact CG-CG 4.46Å; E922-R926 WeakPolarHBondContact O-CG 3.2Å; E922-R926 PolarHBondContact O-N 2.89Å; R926-A929 PolarHBondContact O-N 3.05Å; R926-S930 PolarHBondContact O-N 3.3Å; R926-Q977 PolarHBondContact NH2-O 3.06Å; R926-L996 HydrophobicContact CB-CD1 4.35Å; R926-L996 HydrophobicContact CB-CD2 4Å |
| 927 | L | 85 | Confident | 78.6 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 176.3 | 177.8 | 64.5 | 0 | 0 | 0 | 112.2 | S923 I925 A929 S930 K931 I992 E995 L996 | S923-L927 WeakPolarHBondContact O-CB 3.28Å; S923-L927 PolarHBondContact O-N 3.01Å; I925-L927 VanDerWaalsContact C-N 3.34Å; I925-L927 PolarHBondContact O-N 3.19Å; L927-A929 VanDerWaalsContact C-N 3.31Å; L927-A929 PolarHBondContact O-N 3.39Å; L927-S930 PolarHBondContact O-N 3.27Å; L927-K931 HydrophobicContact CD1-CD 4.33Å; L927-K931 HydrophobicContact CD1-CG 4.4Å; L927-K931 HydrophobicContact CG-CD 4.3Å; L927-K931 PolarHBondContact O-N 3.09Å; L927-I992 HydrophobicContact CB-CG2 4.33Å; L927-I992 HydrophobicContact CD2-CG2 4.1Å; L927-E995 HydrophobicContact CD1-CB 3.91Å; L927-E995 HydrophobicContact CD1-CG 3.93Å; L927-E995 VanDerWaalsContact CD2-OE2 3.24Å; L927-E995 WeakPolarHBondContact CD2-OE2 3.49Å; L927-L996 HydrophobicContact CD1-CB 4.35Å |
| 928 | S | 85.4 | Confident | 80.8 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | Q812 H924 I925 S932 | Q812-S928 WeakPolarHBondContact CG-OG 3.22Å; Q812-S928 PolarHBondContact NE2-OG 3.09Å; H924-S928 WeakPolarHBondContact O-CB 3.36Å; H924-S928 PolarHBondContact O-N 3.39Å; H924-S928 PolarHBondContact O-OG 3.3Å; I925-S928 PolarHBondContact O-N 3.4Å; S928-S932 WeakPolarHBondContact O-CB 3.44Å; S928-S932 PolarHBondContact O-N 3.1Å; S928-S932 PolarHBondContact O-OG 2.88Å |
| 929 | A | 89.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V815 L855 L858 V859 I925 R926 L927 S932 L933 | V815-A929 HydrophobicContact CG1-CB 3.93Å; L855-A929 HydrophobicContact CD2-CB 4.23Å; L858-A929 HydrophobicContact CB-CB 3.8Å; L858-A929 HydrophobicContact CD1-CB 4.47Å; V859-A929 HydrophobicContact CG2-CB 3.89Å; I925-A929 WeakPolarHBondContact O-CB 3.35Å; I925-A929 PolarHBondContact O-N 3.43Å; R926-A929 PolarHBondContact O-N 3.05Å; L927-A929 VanDerWaalsContact C-N 3.31Å; L927-A929 PolarHBondContact O-N 3.39Å; A929-S932 PolarHBondContact O-N 3.42Å; A929-L933 PolarHBondContact O-N 2.87Å; A929-L933 VanDerWaalsContact O-N 3.08Å |
| 930 | S | 88 | Confident | 83.6 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.2 | -43.8 | 176.1 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | R926 L927 S932 L933 D934 S999 C1000 | R926-S930 PolarHBondContact O-N 3.3Å; L927-S930 PolarHBondContact O-N 3.27Å; S930-S932 VanDerWaalsContact C-N 3.33Å; S930-S932 PolarHBondContact O-N 2.94Å; S930-L933 PolarHBondContact O-N 2.8Å; S930-D934 PolarHBondContact O-N 3.24Å; S930-S999 PolarHBondContact O-OG 3.45Å; S930-S999 VanDerWaalsContact OG-CB 3.23Å; S930-S999 WeakPolarHBondContact OG-CB 3.47Å; S930-S999 PolarHBondContact OG-OG 3.01Å; S930-S999 VanDerWaalsContact OG-OG 3.05Å; S930-C1000 PolarHBondContact OG-N 3.22Å; S930-C1000 PolarHBondContact OG-SG 3.17Å |
| 931 | K | 86 | Confident | 83.8 | Confident | 63 Ų | 63 | 16.6 Ų | 16.6 | 27% | 0.274 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -61 | -40.6 | 174.6 | -74.7 | -179.7 | 173.4 | 175.3 | 0 | 112.1 | L606 L927 L933 D934 A935 E995 S999 | L606-K931 HydrophobicContact CD2-CB 4.05Å; L927-K931 HydrophobicContact CD1-CD 4.33Å; L927-K931 HydrophobicContact CD1-CG 4.4Å; L927-K931 HydrophobicContact CG-CD 4.3Å; L927-K931 PolarHBondContact O-N 3.09Å; K931-L933 VanDerWaalsContact C-N 3.33Å; K931-L933 PolarHBondContact O-N 2.91Å; K931-D934 PolarHBondContact O-N 3.39Å; K931-A935 PolarHBondContact O-N 3.35Å; K931-E995 VanDerWaalsContact CE-CD 3.41Å; K931-E995 WeakPolarHBondContact CE-OE1 3.39Å; K931-E995 IonicContact NZ-OE1 2.81Å; K931-E995 PolarHBondContact NZ-OE1 3.22Å; K931-E995 IonicContact NZ-OE2 2.71Å; K931-E995 PolarHBondContact NZ-OE2 3.37Å; K931-S999 PolarHBondContact N-OG 3.23Å |
| 932 | S | 88.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 176.5 | -58 | 0 | 0 | 0 | 0 | 112.3 | V815 S928 A929 S930 F936 | V815-S932 PolarHBondContact O-OG 2.79Å; S928-S932 WeakPolarHBondContact O-CB 3.44Å; S928-S932 PolarHBondContact O-N 3.1Å; S928-S932 PolarHBondContact O-OG 2.88Å; A929-S932 PolarHBondContact O-N 3.42Å; S930-S932 VanDerWaalsContact C-N 3.33Å; S930-S932 PolarHBondContact O-N 2.94Å; S932-F936 WeakPolarHBondContact O-CB 3.31Å; S932-F936 PolarHBondContact O-N 3.36Å; S932-F936 VanDerWaalsContact O-N 3.14Å |
| 933 | L | 88.8 | Confident | 83 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.6 | -37.6 | 174.6 | -171.5 | 66.2 | 0 | 0 | 0 | 111.9 | V852 I856 A929 S930 K931 F936 V937 L974 T1003 | V852-L933 HydrophobicContact CG1-CD1 4.45Å; I856-L933 HydrophobicContact CG1-CD2 4.23Å; A929-L933 PolarHBondContact O-N 2.87Å; A929-L933 VanDerWaalsContact O-N 3.08Å; S930-L933 PolarHBondContact O-N 2.8Å; K931-L933 VanDerWaalsContact C-N 3.33Å; K931-L933 PolarHBondContact O-N 2.91Å; L933-F936 PolarHBondContact O-N 3.1Å; L933-V937 WeakPolarHBondContact O-CG2 3.38Å; L933-V937 PolarHBondContact O-N 3.43Å; L933-L974 HydrophobicContact CD2-CD1 4.21Å; L933-L974 HydrophobicContact CD2-CD2 3.87Å; L933-T1003 HydrophobicContact CB-CG2 3.93Å; L933-T1003 HydrophobicContact CD2-CG2 4.02Å; L933-T1003 HydrophobicContact CG-CG2 3.73Å |
| 934 | D | 84.7 | Confident | 82.7 | Confident | 30 Ų | 30 | 12.4 Ų | 12.4 | 16% | 0.16 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 178 | -159 | 45 | 0 | 0 | 0 | 111.9 | S930 K931 T938 S1002 T1003 | S930-D934 PolarHBondContact O-N 3.24Å; K931-D934 PolarHBondContact O-N 3.39Å; D934-T938 VanDerWaalsContact O-CB 3.24Å; D934-T938 WeakPolarHBondContact O-CB 3.5Å; D934-T938 PolarHBondContact O-N 3.25Å; D934-T938 PolarHBondContact O-OG1 3.42Å; D934-S1002 VanDerWaalsContact CG-OG 3.32Å; D934-S1002 WeakPolarHBondContact OD1-CB 3.34Å; D934-S1002 PolarHBondContact OD1-OG 2.7Å; D934-S1002 PolarHBondContact OD2-OG 3.06Å; D934-T1003 HydrophobicContact CB-CG2 3.72Å; D934-T1003 VanDerWaalsContact N-CG2 3.26Å; D934-T1003 PolarHBondContact OD1-N 2.92Å; D934-T1003 VanDerWaalsContact OD1-N 3.12Å |
| 935 | A | 83 | Confident | 82.4 | Confident | 17 Ų | 17 | 12 Ų | 12 | 14% | 0.14 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L606 T823 K931 T938 A939 | L606-A935 HydrophobicContact CD1-CB 4.38Å; L606-A935 HydrophobicContact CD2-CB 3.94Å; L606-A935 HydrophobicContact CG-CB 4.32Å; T823-A935 HydrophobicContact CG2-CB 3.95Å; K931-A935 PolarHBondContact O-N 3.35Å; A935-T938 PolarHBondContact O-N 3.01Å; A935-A939 WeakPolarHBondContact O-CB 3.42Å; A935-A939 PolarHBondContact O-N 2.79Å |
| 936 | F | 88.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.4 | -47.4 | 178.2 | 176.6 | -137.9 | 0 | 0 | 0 | 112.6 | L822 T826 W848 V852 S932 L933 T938 A939 I940 I965 | L822-F936 HydrophobicContact CB-CB 4.36Å; L822-F936 HydrophobicContact CB-CD2 3.78Å; L822-F936 HydrophobicContact CB-CE2 4.19Å; L822-F936 HydrophobicContact CB-CG 4.02Å; L822-F936 HydrophobicContact CD1-CD1 4.23Å; L822-F936 HydrophobicContact CD1-CG 4.37Å; L822-F936 HydrophobicContact CD2-CE2 4.34Å; L822-F936 HydrophobicContact CD2-CZ 4.26Å; T826-F936 HydrophobicContact CG2-CD2 3.97Å; T826-F936 HydrophobicContact CG2-CE2 3.59Å; W848-F936 HydrophobicContact CE3-CE2 4.25Å; W848-F936 AromaticContact CE3-CZ 3.83Å; W848-F936 HydrophobicContact CE3-CZ 3.83Å; W848-F936 AromaticContact CZ3-CE2 3.71Å; W848-F936 HydrophobicContact CZ3-CE2 3.71Å; W848-F936 AromaticContact CZ3-CZ 3.79Å; W848-F936 HydrophobicContact CZ3-CZ 3.79Å; V852-F936 HydrophobicContact CG2-CD1 4.31Å; V852-F936 HydrophobicContact CG2-CE1 3.61Å; S932-F936 WeakPolarHBondContact O-CB 3.31Å; S932-F936 PolarHBondContact O-N 3.36Å; S932-F936 VanDerWaalsContact O-N 3.14Å; L933-F936 PolarHBondContact O-N 3.1Å; F936-T938 VanDerWaalsContact C-N 3.31Å; F936-T938 PolarHBondContact O-N 2.95Å; F936-A939 PolarHBondContact O-N 2.84Å; F936-I940 HydrophobicContact CD2-CD1 4.3Å; F936-I940 HydrophobicContact CE1-CD1 4.48Å; F936-I940 HydrophobicContact CE2-CD1 3.93Å; F936-I940 HydrophobicContact CE2-CG1 4.29Å; F936-I940 HydrophobicContact CZ-CD1 4.03Å; F936-I940 WeakPolarHBondContact O-CG1 3.49Å; F936-I940 PolarHBondContact O-N 2.93Å; F936-I940 VanDerWaalsContact O-N 3.12Å; F936-I965 HydrophobicContact CD1-CD1 3.82Å; F936-I965 HydrophobicContact CE1-CD1 3.39Å; F936-I965 HydrophobicContact CE1-CG1 3.94Å; F936-I965 HydrophobicContact CZ-CD1 3.93Å |
| 937 | V | 85.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 111 | W547 L933 I940 H941 I965 I1007 | W547-V937 HydrophobicContact CH2-CG1 4.24Å; L933-V937 WeakPolarHBondContact O-CG2 3.38Å; L933-V937 PolarHBondContact O-N 3.43Å; V937-I940 PolarHBondContact O-N 2.71Å; V937-H941 PolarHBondContact O-CD2 3.13Å; V937-H941 PolarHBondContact O-N 2.85Å; V937-I965 HydrophobicContact CG2-CD1 4.07Å; V937-I965 HydrophobicContact CG2-CG2 4.2Å; V937-I1007 HydrophobicContact CG1-CG1 4.28Å; V937-I1007 HydrophobicContact CG2-CD1 4.47Å; V937-I1007 HydrophobicContact CG2-CG1 4.1Å |
| 938 | T | 78.8 | Confident | 79.7 | Confident | 9 Ų | 9 | 19.6 Ų | 19.6 | 6% | 0.055 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 173.8 | -60 | 0 | 0 | 0 | 0 | 112 | I552 D934 A935 F936 I940 H941 G942 | I552-T938 HydrophobicContact CB-CG2 3.89Å; I552-T938 HydrophobicContact CD1-CG2 3.77Å; I552-T938 HydrophobicContact CG1-CG2 4.43Å; I552-T938 HydrophobicContact CG2-CG2 3.81Å; D934-T938 VanDerWaalsContact O-CB 3.24Å; D934-T938 WeakPolarHBondContact O-CB 3.5Å; D934-T938 PolarHBondContact O-N 3.25Å; D934-T938 PolarHBondContact O-OG1 3.42Å; A935-T938 PolarHBondContact O-N 3.01Å; F936-T938 VanDerWaalsContact C-N 3.31Å; F936-T938 PolarHBondContact O-N 2.95Å; T938-I940 VanDerWaalsContact C-N 3.34Å; T938-I940 PolarHBondContact O-N 2.85Å; T938-H941 PolarHBondContact O-N 2.99Å; T938-H941 VanDerWaalsContact O-N 3.16Å; T938-G942 PolarHBondContact O-N 2.73Å |
| 939 | A | 79.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -34.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W601 T823 T826 A935 F936 H941 G942 C943 | W601-A939 HydrophobicContact CH2-CB 3.73Å; W601-A939 HydrophobicContact CZ2-CB 3.93Å; T823-A939 HydrophobicContact CG2-CB 4.11Å; T826-A939 VanDerWaalsContact OG1-CB 3.29Å; T826-A939 WeakPolarHBondContact OG1-CB 3.36Å; A935-A939 WeakPolarHBondContact O-CB 3.42Å; A935-A939 PolarHBondContact O-N 2.79Å; F936-A939 PolarHBondContact O-N 2.84Å; A939-H941 VanDerWaalsContact C-N 3.33Å; A939-H941 PolarHBondContact O-N 3.34Å; A939-G942 PolarHBondContact O-N 3.15Å; A939-C943 WeakPolarHBondContact O-CB 3.43Å; A939-C943 PolarHBondContact O-N 2.9Å; A939-C943 PolarHBondContact O-SG 2.84Å |
| 940 | I | 82.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 171.3 | -68.1 | 170.3 | 0 | 0 | 0 | 111.6 | T826 F936 V937 T938 Q944 L945 L962 I965 L1010 | T826-I940 HydrophobicContact CG2-CG1 3.93Å; F936-I940 HydrophobicContact CD2-CD1 4.3Å; F936-I940 HydrophobicContact CE1-CD1 4.48Å; F936-I940 HydrophobicContact CE2-CD1 3.93Å; F936-I940 HydrophobicContact CE2-CG1 4.29Å; F936-I940 HydrophobicContact CZ-CD1 4.03Å; F936-I940 WeakPolarHBondContact O-CG1 3.49Å; F936-I940 PolarHBondContact O-N 2.93Å; F936-I940 VanDerWaalsContact O-N 3.12Å; V937-I940 PolarHBondContact O-N 2.71Å; T938-I940 VanDerWaalsContact C-N 3.34Å; T938-I940 PolarHBondContact O-N 2.85Å; I940-Q944 PolarHBondContact O-N 3.44Å; I940-L945 HydrophobicContact CG1-CD1 4.34Å; I940-L945 HydrophobicContact CG2-CB 4.42Å; I940-L945 PolarHBondContact O-N 3.03Å; I940-L962 HydrophobicContact CG2-CD2 3.66Å; I940-I965 HydrophobicContact CD1-CD1 3.33Å; I940-L1010 HydrophobicContact CG2-CD1 4.01Å; I940-L1010 HydrophobicContact CG2-CD2 3.92Å |
| 941 | H | 74.9 | Confident | 75.7 | Confident | 20 Ų | 20 | 32 Ų | 32 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.9 | -44.5 | 175 | -82.2 | -74.8 | 0 | 0 | 0 | 112.4 | W547 V937 T938 A939 Q944 Y946 G1006 | W547-H941 AromaticContact CH2-CD2 3.74Å; W547-H941 HydrophobicContact CZ2-CB 4.4Å; W547-H941 AromaticContact CZ2-CD2 3.81Å; V937-H941 PolarHBondContact O-CD2 3.13Å; V937-H941 PolarHBondContact O-N 2.85Å; T938-H941 PolarHBondContact O-N 2.99Å; T938-H941 VanDerWaalsContact O-N 3.16Å; A939-H941 VanDerWaalsContact C-N 3.33Å; A939-H941 PolarHBondContact O-N 3.34Å; H941-Q944 PolarHBondContact O-N 3Å; H941-Y946 AromaticContact ND1-CE1 3.72Å; H941-G1006 PolarHBondContact NE2-O 2.92Å |
| 942 | G | 69.9 | Low | 74.8 | Confident | 24 Ų | 24 | 31.1 Ų | 31.1 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T938 A939 Q944 | T938-G942 PolarHBondContact O-N 2.73Å; A939-G942 PolarHBondContact O-N 3.15Å; G942-Q944 VanDerWaalsContact C-N 3.29Å |
| 943 | C | 72.1 | Confident | 73.8 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0.7 | 175.1 | -64 | 0 | 0 | 0 | 0 | 113.8 | L830 A939 L945 | L830-C943 HydrophobicContact CB-CB 4.16Å; L830-C943 HydrophobicContact CD2-CB 4.12Å; A939-C943 WeakPolarHBondContact O-CB 3.43Å; A939-C943 PolarHBondContact O-N 2.9Å; A939-C943 PolarHBondContact O-SG 2.84Å; C943-L945 HydrophobicContact CB-CD1 4.42Å; C943-L945 HydrophobicContact CB-CD2 3.87Å; C943-L945 HydrophobicContact CB-CG 3.79Å; C943-L945 PolarHBondContact O-N 3.49Å; C943-L945 VanDerWaalsContact O-N 3.08Å |
| 944 | Q | 72.3 | Confident | 73 | Confident | 48 Ų | 48 | 36.8 Ų | 36.8 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 30 | 177.4 | -55.3 | -170.1 | -28.4 | 0 | 0 | 114.5 | N594 I940 H941 G942 Y946 D947 | N594-Q944 VanDerWaalsContact CG-NE2 3.28Å; N594-Q944 PolarHBondContact ND2-OE1 3.25Å; N594-Q944 PolarHBondContact OD1-NE2 3.1Å; I940-Q944 PolarHBondContact O-N 3.44Å; H941-Q944 PolarHBondContact O-N 3Å; G942-Q944 VanDerWaalsContact C-N 3.29Å; Q944-Y946 PolarHBondContact O-N 2.78Å; Q944-D947 PolarHBondContact O-N 3.33Å |
| 945 | L | 73.8 | Confident | 72.4 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -10.9 | -170 | -58.6 | -179.2 | 0 | 0 | 0 | 114.5 | T826 L829 L830 I940 C943 I948 I958 | T826-L945 HydrophobicContact CG2-CD1 3.89Å; L829-L945 HydrophobicContact CB-CD1 4.44Å; L829-L945 HydrophobicContact CB-CD2 4.15Å; L829-L945 HydrophobicContact CD1-CD1 4.13Å; L830-L945 HydrophobicContact CB-CD2 4.43Å; I940-L945 HydrophobicContact CG1-CD1 4.34Å; I940-L945 HydrophobicContact CG2-CB 4.42Å; I940-L945 PolarHBondContact O-N 3.03Å; C943-L945 HydrophobicContact CB-CD1 4.42Å; C943-L945 HydrophobicContact CB-CD2 3.87Å; C943-L945 HydrophobicContact CB-CG 3.79Å; C943-L945 PolarHBondContact O-N 3.49Å; C943-L945 VanDerWaalsContact O-N 3.08Å; L945-I948 HydrophobicContact CD2-CD1 3.63Å; L945-I958 HydrophobicContact CB-CG2 4.48Å; L945-I958 WeakPolarHBondContact O-CG2 3.31Å |
| 946 | Y | 72.2 | Confident | 71.9 | Confident | 82 Ų | 82 | 42.8 Ų | 42.8 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -21.2 | 178.4 | 60.4 | -95.4 | 0 | 0 | 0 | 113.9 | H941 Q944 L1010 | H941-Y946 AromaticContact ND1-CE1 3.72Å; Q944-Y946 PolarHBondContact O-N 2.78Å; Y946-L1010 HydrophobicContact CD1-CD2 3.58Å; Y946-L1010 HydrophobicContact CE1-CD2 4.38Å; Y946-L1010 HydrophobicContact CG-CD2 4.03Å |
| 947 | D | 63.6 | Low | 71.3 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 40% | 0.401 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -9.6 | 176.1 | -70.8 | -33.5 | 0 | 0 | 0 | 112.4 | Q944 S949 | Q944-D947 PolarHBondContact O-N 3.33Å; D947-S949 PolarHBondContact O-N 3.08Å |
| 948 | I | 65.8 | Low | 71 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | trans | -68.4 | 128.8 | -178.6 | -70.2 | -179.7 | 0 | 0 | 0 | 111.1 | H833 L945 V950 I958 | H833-I948 HydrophobicContact CB-CD1 4.34Å; L945-I948 HydrophobicContact CD2-CD1 3.63Å; I948-V950 HydrophobicContact CG2-CG2 3.34Å; I948-I958 HydrophobicContact CG2-CD1 3.81Å | ||
| 949 | S | 61.2 | Low | 71.1 | Confident | 103 Ų | 103 | 47 Ų | 47 | 72% | 0.72 | 29% | 0.286 | S | S | * | . | trans | -114.7 | 121.6 | 168.6 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | D947 | D947-S949 PolarHBondContact O-N 3.08Š| ||
| 950 | V | 59.9 | Low | 71.2 | Confident | 58 Ų | 58 | 47.6 Ų | 47.6 | 35% | 0.352 | 29% | 0.29 | S | S | . | . | trans | -141.1 | 161.5 | 177 | -142 | 0 | 0 | 0 | 0 | 109.7 | I948 L954 S955 I958 | I948-V950 HydrophobicContact CG2-CG2 3.34Å; V950-L954 HydrophobicContact CG1-CD2 4.37Å; V950-L954 HydrophobicContact CG2-CD2 4.42Å; V950-L954 HydrophobicContact CG2-CG 4.49Å; V950-S955 WeakPolarHBondContact O-CB 3.35Å; V950-I958 HydrophobicContact CG2-CD1 4.23Å | ||
| 951 | S | 57.8 | Low | 71.3 | Confident | 106 Ų | 106 | 47.6 Ų | 47.6 | 74% | 0.741 | 29% | 0.291 | S | S | * | . | trans | -106.7 | 156.5 | 167.2 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 952 | G | 67.1 | Low | 71.7 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 46% | 0.464 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 84.4 | -165.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L954 S955 E956 | G952-L954 VanDerWaalsContact C-N 3.28Å; G952-L954 PolarHBondContact O-N 3.07Å; G952-S955 WeakPolarHBondContact O-CA 3.5Å; G952-S955 WeakPolarHBondContact O-CB 3.3Å; G952-S955 PolarHBondContact O-N 2.92Å; G952-S955 PolarHBondContact O-OG 3.12Å; G952-E956 PolarHBondContact O-N 3.16Å |
| 953 | S | 67.4 | Low | 72.5 | Confident | 89 Ų | 89 | 52.4 Ų | 52.4 | 62% | 0.622 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57.3 | -33.4 | -171 | 51.3 | 0 | 0 | 0 | 0 | 114.6 | S955 E956 S957 | S953-S955 VanDerWaalsContact C-N 3.27Å; S953-S955 PolarHBondContact O-N 2.9Å; S953-E956 PolarHBondContact O-N 2.78Å; S953-E956 VanDerWaalsContact O-N 3.15Å; S953-S957 PolarHBondContact O-N 3.25Å |
| 954 | L | 72.1 | Confident | 73 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 174.5 | -176.9 | 57.9 | 0 | 0 | 0 | 111.7 | L829 A832 H833 I841 V950 G952 S957 I958 | L829-L954 HydrophobicContact CD2-CD1 3.62Å; A832-L954 HydrophobicContact CB-CD1 4.42Å; A832-L954 HydrophobicContact CB-CD2 4.28Å; H833-L954 HydrophobicContact CB-CD2 4.15Å; I841-L954 HydrophobicContact CD1-CD1 4.32Å; V950-L954 HydrophobicContact CG1-CD2 4.37Å; V950-L954 HydrophobicContact CG2-CD2 4.42Å; V950-L954 HydrophobicContact CG2-CG 4.49Å; G952-L954 VanDerWaalsContact C-N 3.28Å; G952-L954 PolarHBondContact O-N 3.07Å; L954-S957 PolarHBondContact O-N 3.44Å; L954-I958 HydrophobicContact CD1-CD1 4.09Å; L954-I958 HydrophobicContact CD1-CG1 4.26Å; L954-I958 HydrophobicContact CG-CD1 3.99Å; L954-I958 WeakPolarHBondContact O-CB 3.26Å; L954-I958 VanDerWaalsContact O-CG1 3.31Å; L954-I958 WeakPolarHBondContact O-CG1 3.45Å; L954-I958 PolarHBondContact O-N 2.93Å |
| 955 | S | 72.2 | Confident | 73.6 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 175.7 | 77.4 | 0 | 0 | 0 | 0 | 112.5 | V950 G952 S953 T959 | V950-S955 WeakPolarHBondContact O-CB 3.35Å; G952-S955 WeakPolarHBondContact O-CA 3.5Å; G952-S955 WeakPolarHBondContact O-CB 3.3Å; G952-S955 PolarHBondContact O-N 2.92Å; G952-S955 PolarHBondContact O-OG 3.12Å; S953-S955 VanDerWaalsContact C-N 3.27Å; S953-S955 PolarHBondContact O-N 2.9Å; S955-T959 WeakPolarHBondContact O-CB 2.95Å; S955-T959 PolarHBondContact O-N 2.92Å; S955-T959 PolarHBondContact O-OG1 3.37Å |
| 956 | E | 74.2 | Confident | 74.1 | Confident | 142 Ų | 142 | 51.8 Ų | 51.8 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.4 | -41.2 | 176.1 | -59.4 | -175.8 | 160.4 | 0 | 0 | 111.3 | G952 S953 T959 S960 | G952-E956 PolarHBondContact O-N 3.16Å; S953-E956 PolarHBondContact O-N 2.78Å; S953-E956 VanDerWaalsContact O-N 3.15Å; E956-T959 PolarHBondContact O-N 3.21Å; E956-S960 WeakPolarHBondContact O-CB 3.17Å; E956-S960 PolarHBondContact O-N 3.39Å |
| 957 | S | 75 | Confident | 74.7 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 176.1 | -167 | 0 | 0 | 0 | 0 | 111.9 | S953 L954 S960 C961 | S953-S957 PolarHBondContact O-N 3.25Å; L954-S957 PolarHBondContact O-N 3.44Å; S957-S960 PolarHBondContact O-N 3.18Å; S957-C961 WeakPolarHBondContact O-CB 3.1Å; S957-C961 PolarHBondContact O-N 3.23Å |
| 958 | I | 79.5 | Confident | 75.6 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 174.5 | -67.6 | 171.1 | 0 | 0 | 0 | 110.8 | L829 L945 I948 V950 L954 S960 C961 L962 | L829-I958 HydrophobicContact CB-CG1 4.45Å; L829-I958 HydrophobicContact CD1-CG1 4.37Å; L829-I958 HydrophobicContact CD2-CG1 4.09Å; L945-I958 HydrophobicContact CB-CG2 4.48Å; L945-I958 WeakPolarHBondContact O-CG2 3.31Å; I948-I958 HydrophobicContact CG2-CD1 3.81Å; V950-I958 HydrophobicContact CG2-CD1 4.23Å; L954-I958 HydrophobicContact CD1-CD1 4.09Å; L954-I958 HydrophobicContact CD1-CG1 4.26Å; L954-I958 HydrophobicContact CG-CD1 3.99Å; L954-I958 WeakPolarHBondContact O-CB 3.26Å; L954-I958 VanDerWaalsContact O-CG1 3.31Å; L954-I958 WeakPolarHBondContact O-CG1 3.45Å; L954-I958 PolarHBondContact O-N 2.93Å; I958-S960 VanDerWaalsContact C-N 3.31Å; I958-S960 PolarHBondContact O-N 2.86Å; I958-C961 WeakPolarHBondContact O-CB 3.47Å; I958-C961 PolarHBondContact O-N 3.05Å; I958-L962 HydrophobicContact CG2-CD1 4.16Å; I958-L962 WeakPolarHBondContact O-CG 3.24Å; I958-L962 PolarHBondContact O-N 3.18Å |
| 959 | T | 80.6 | Confident | 76.5 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | S955 E956 H963 | S955-T959 WeakPolarHBondContact O-CB 2.95Å; S955-T959 PolarHBondContact O-N 2.92Å; S955-T959 PolarHBondContact O-OG1 3.37Å; E956-T959 PolarHBondContact O-N 3.21Å; T959-H963 VanDerWaalsContact O-CB 3.23Å; T959-H963 WeakPolarHBondContact O-CB 3.43Å; T959-H963 PolarHBondContact O-N 2.84Å |
| 960 | S | 81.3 | Confident | 77.7 | Confident | 13 Ų | 13 | 45 Ų | 45 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.1 | -31.4 | 177.9 | -169.1 | 0 | 0 | 0 | 0 | 113.6 | A845 E956 S957 I958 S964 | A845-S960 WeakPolarHBondContact CA-OG 3.47Å; A845-S960 WeakPolarHBondContact CB-OG 3.41Å; A845-S960 PolarHBondContact O-OG 3.49Å; E956-S960 WeakPolarHBondContact O-CB 3.17Å; E956-S960 PolarHBondContact O-N 3.39Å; S957-S960 PolarHBondContact O-N 3.18Å; I958-S960 VanDerWaalsContact C-N 3.31Å; I958-S960 PolarHBondContact O-N 2.86Å; S960-S964 VanDerWaalsContact O-CB 3.32Å; S960-S964 WeakPolarHBondContact O-CB 3.32Å; S960-S964 PolarHBondContact O-N 3.39Å |
| 961 | C | 83.8 | Confident | 79 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -50.4 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | L829 W848 S957 I958 S964 | L829-C961 HydrophobicContact CD1-CB 4.39Å; W848-C961 HydrophobicContact CD2-CB 4.18Å; W848-C961 HydrophobicContact CE3-CB 4.4Å; W848-C961 HydrophobicContact CZ2-CB 4.46Å; S957-C961 WeakPolarHBondContact O-CB 3.1Å; S957-C961 PolarHBondContact O-N 3.23Å; I958-C961 WeakPolarHBondContact O-CB 3.47Å; I958-C961 PolarHBondContact O-N 3.05Å; C961-S964 PolarHBondContact O-N 3.29Å; C961-S964 PolarHBondContact O-OG 2.93Å |
| 962 | L | 85 | Confident | 80.3 | Confident | 33 Ų | 33 | 38.6 Ų | 38.6 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -50.9 | 175.8 | -65 | 171.3 | 0 | 0 | 0 | 111.8 | I940 I958 S964 I965 T966 | I940-L962 HydrophobicContact CG2-CD2 3.66Å; I958-L962 HydrophobicContact CG2-CD1 4.16Å; I958-L962 WeakPolarHBondContact O-CG 3.24Å; I958-L962 PolarHBondContact O-N 3.18Å; L962-S964 PolarHBondContact O-N 3.47Å; L962-I965 PolarHBondContact O-N 3.42Å; L962-T966 WeakPolarHBondContact O-CG2 3Å; L962-T966 PolarHBondContact O-N 3.05Å; L962-T966 PolarHBondContact O-OG1 2.94Å |
| 963 | H | 85.5 | Confident | 81.1 | Confident | 111 Ų | 111 | 41 Ų | 41 | 51% | 0.514 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.2 | -24.8 | -179.6 | -169.8 | -65.7 | 0 | 0 | 0 | 113.1 | T959 I965 | T959-H963 VanDerWaalsContact O-CB 3.23Å; T959-H963 WeakPolarHBondContact O-CB 3.43Å; T959-H963 PolarHBondContact O-N 2.84Å; H963-I965 PolarHBondContact O-N 3.45Å |
| 964 | S | 83.5 | Confident | 82 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.1 | 175.2 | 76.4 | 0 | 0 | 0 | 0 | 113.4 | V852 S960 C961 L962 I970 | V852-S964 WeakPolarHBondContact CG1-O 3.4Å; S960-S964 VanDerWaalsContact O-CB 3.32Å; S960-S964 WeakPolarHBondContact O-CB 3.32Å; S960-S964 PolarHBondContact O-N 3.39Å; C961-S964 PolarHBondContact O-N 3.29Å; C961-S964 PolarHBondContact O-OG 2.93Å; L962-S964 PolarHBondContact O-N 3.47Å; S964-I970 WeakPolarHBondContact O-CD1 3.38Å |
| 965 | I | 84.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -39.7 | -176.9 | -47.3 | 178.8 | 0 | 0 | 0 | 112 | V852 F936 V937 I940 L962 H963 T967 I1007 | V852-I965 HydrophobicContact CG2-CG1 4.17Å; F936-I965 HydrophobicContact CD1-CD1 3.82Å; F936-I965 HydrophobicContact CE1-CD1 3.39Å; F936-I965 HydrophobicContact CE1-CG1 3.94Å; F936-I965 HydrophobicContact CZ-CD1 3.93Å; V937-I965 HydrophobicContact CG2-CD1 4.07Å; V937-I965 HydrophobicContact CG2-CG2 4.2Å; I940-I965 HydrophobicContact CD1-CD1 3.33Å; L962-I965 PolarHBondContact O-N 3.42Å; H963-I965 PolarHBondContact O-N 3.45Å; I965-T967 PolarHBondContact O-N 3.07Å; I965-I1007 HydrophobicContact CG2-CD1 3.53Å; I965-I1007 HydrophobicContact CG2-CG1 3.52Å; I965-I1007 HydrophobicContact CG2-CG2 4.4Å |
| 966 | T | 83.6 | Confident | 83.2 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 20% | 0.202 | 19% | 0.194 | C | C | . | . | trans | -79.3 | 52 | -169.3 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | L962 L1010 N1011 | L962-T966 WeakPolarHBondContact O-CG2 3Å; L962-T966 PolarHBondContact O-N 3.05Å; L962-T966 PolarHBondContact O-OG1 2.94Å; T966-L1010 HydrophobicContact CG2-CB 4.09Å; T966-N1011 HydrophobicContact CG2-CB 4.47Å | ||
| 967 | T | 85.4 | Confident | 83.3 | Confident | 37 Ų | 37 | 31.6 Ų | 31.6 | 23% | 0.227 | 17% | 0.173 | C | C | . | . | trans | -117.1 | 148.6 | 178.1 | 72.4 | 0 | 0 | 0 | 0 | 112.4 | I965 D969 I970 V971 | I965-T967 PolarHBondContact O-N 3.07Å; T967-D969 PolarHBondContact O-N 2.91Å; T967-I970 PolarHBondContact O-N 2.7Å; T967-I970 WeakPolarHBondContact OG1-CD1 2.53Å; T967-I970 VanDerWaalsContact OG1-CG1 3.23Å; T967-I970 WeakPolarHBondContact OG1-CG1 2.49Å; T967-V971 PolarHBondContact O-N 3.07Å | ||
| 968 | G | 83 | Confident | 83.4 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -23.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | S972 R1022 | G968-S972 VanDerWaalsContact O-CB 3.24Å; G968-S972 WeakPolarHBondContact O-CB 3.49Å; G968-S972 PolarHBondContact O-N 2.89Å; G968-R1022 PolarHBondContact O-NH1 3.38Å |
| 969 | D | 84.8 | Confident | 83.4 | Confident | 83 Ų | 83 | 30.7 Ų | 30.7 | 44% | 0.444 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.5 | -39 | 176.3 | -58.4 | -45.1 | 0 | 0 | 0 | 111.7 | T967 R973 R1022 | T967-D969 PolarHBondContact O-N 2.91Å; D969-R973 WeakPolarHBondContact O-CB 3.5Å; D969-R973 WeakPolarHBondContact O-CG 3.32Å; D969-R973 PolarHBondContact O-N 3.32Å; D969-R1022 IonicContact OD1-CZ 2.7Å; D969-R1022 IonicContact OD1-NH1 2.66Å; D969-R1022 PolarHBondContact OD1-NH1 2.91Å; D969-R1022 IonicContact OD1-NH2 3.41Å; D969-R1022 PolarHBondContact OD1-NH2 3.36Å |
| 970 | I | 86 | Confident | 83.2 | Confident | 18 Ų | 18 | 29.4 Ų | 29.4 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -49.6 | 176.6 | -70.2 | 177.5 | 0 | 0 | 0 | 110.4 | V852 I856 S964 T967 S972 R973 L974 I1007 | V852-I970 HydrophobicContact CG1-CD1 3.93Å; I856-I970 HydrophobicContact CD1-CB 3.98Å; I856-I970 HydrophobicContact CD1-CD1 3.83Å; I856-I970 HydrophobicContact CD1-CG1 3.5Å; I856-I970 HydrophobicContact CD1-CG2 3.55Å; S964-I970 WeakPolarHBondContact O-CD1 3.38Å; T967-I970 PolarHBondContact O-N 2.7Å; T967-I970 WeakPolarHBondContact OG1-CD1 2.53Å; T967-I970 VanDerWaalsContact OG1-CG1 3.23Å; T967-I970 WeakPolarHBondContact OG1-CG1 2.49Å; I970-S972 VanDerWaalsContact C-N 3.34Å; I970-S972 PolarHBondContact O-N 3.42Å; I970-R973 PolarHBondContact O-N 2.97Å; I970-L974 HydrophobicContact CG2-CD1 3.85Å; I970-L974 HydrophobicContact CG2-CG 4.46Å; I970-L974 WeakPolarHBondContact O-CB 3.43Å; I970-L974 WeakPolarHBondContact O-CG 3.48Å; I970-L974 PolarHBondContact O-N 2.95Å; I970-I1007 HydrophobicContact CG2-CD1 4.06Å |
| 971 | V | 86.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 177.1 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | T967 W975 L1004 I1007 L1014 L1019 | T967-V971 PolarHBondContact O-N 3.07Å; V971-W975 PolarHBondContact O-N 2.98Å; V971-W975 VanDerWaalsContact O-N 3.14Å; V971-L1004 HydrophobicContact CB-CD1 4.48Å; V971-L1004 HydrophobicContact CG1-CD1 3.84Å; V971-L1004 HydrophobicContact CG2-CD1 4.45Å; V971-I1007 HydrophobicContact CG2-CG2 3.8Å; V971-L1014 HydrophobicContact CG2-CB 4.26Å; V971-L1014 HydrophobicContact CG2-CD1 4.25Å; V971-L1019 HydrophobicContact CG1-CB 3.84Å |
| 972 | S | 85.3 | Confident | 81.1 | Confident | 28 Ų | 28 | 32.6 Ų | 32.6 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 112.9 | G968 I970 W975 S976 | G968-S972 VanDerWaalsContact O-CB 3.24Å; G968-S972 WeakPolarHBondContact O-CB 3.49Å; G968-S972 PolarHBondContact O-N 2.89Å; I970-S972 VanDerWaalsContact C-N 3.34Å; I970-S972 PolarHBondContact O-N 3.42Å; S972-W975 PolarHBondContact O-N 3.02Å; S972-S976 PolarHBondContact O-N 3.11Å; S972-S976 VanDerWaalsContact O-N 3.09Å; S972-S976 PolarHBondContact O-OG 2.95Å; S972-S976 VanDerWaalsContact O-OG 3.11Å |
| 973 | R | 84.8 | Confident | 79.5 | Confident | 95 Ų | 95 | 33.1 Ų | 33.1 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 176.9 | -72.8 | 179.2 | -172.6 | 174.3 | 5.1 | 113.2 | H853 I856 T860 D969 I970 W975 Q977 | H853-R973 PolarHBondContact CD2-NH1 3.47Å; H853-R973 PolarHBondContact NE2-NH1 3.07Å; I856-R973 HydrophobicContact CG2-CB 4.34Å; T860-R973 HydrophobicContact CG2-CB 4.24Å; D969-R973 WeakPolarHBondContact O-CB 3.5Å; D969-R973 WeakPolarHBondContact O-CG 3.32Å; D969-R973 PolarHBondContact O-N 3.32Å; I970-R973 PolarHBondContact O-N 2.97Å; R973-W975 VanDerWaalsContact C-N 3.26Å; R973-W975 PolarHBondContact O-N 3.34Å; R973-Q977 PolarHBondContact O-N 3.26Å |
| 974 | L | 85.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -60.9 | -38.3 | 175.7 | -74.2 | 171.7 | 0 | 0 | 0 | 111.1 | L933 I970 G978 I979 I1007 | L933-L974 HydrophobicContact CD2-CD1 4.21Å; L933-L974 HydrophobicContact CD2-CD2 3.87Å; I970-L974 HydrophobicContact CG2-CD1 3.85Å; I970-L974 HydrophobicContact CG2-CG 4.46Å; I970-L974 WeakPolarHBondContact O-CB 3.43Å; I970-L974 WeakPolarHBondContact O-CG 3.48Å; I970-L974 PolarHBondContact O-N 2.95Å; L974-G978 CarbonylContact O-C 3.58Å; L974-G978 WeakPolarHBondContact O-CA 3.34Å; L974-G978 PolarHBondContact O-N 3.19Å; L974-G978 VanDerWaalsContact O-N 3.16Å; L974-I979 PolarHBondContact O-N 2.71Å; L974-I1007 HydrophobicContact CD1-CD1 3.67Å |
| 975 | W | 86.2 | Confident | 75.9 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -64.9 | -60.8 | 173.9 | -178.1 | -89.4 | 0 | 0 | 0 | 112.6 | V971 S972 R973 I979 V980 L1004 L1019 V1023 F1028 L1031 L1050 | V971-W975 PolarHBondContact O-N 2.98Å; V971-W975 VanDerWaalsContact O-N 3.14Å; S972-W975 PolarHBondContact O-N 3.02Å; R973-W975 VanDerWaalsContact C-N 3.26Å; R973-W975 PolarHBondContact O-N 3.34Å; W975-I979 HydrophobicContact CE3-CD1 3.98Å; W975-I979 HydrophobicContact CZ3-CD1 4.4Å; W975-I979 WeakPolarHBondContact O-CA 3.36Å; W975-I979 WeakPolarHBondContact O-CB 3.3Å; W975-I979 PolarHBondContact O-N 3.11Å; W975-I979 VanDerWaalsContact O-N 3.08Å; W975-V980 HydrophobicContact CG-CG2 4.45Å; W975-V980 HydrophobicContact CZ2-CG2 4.37Å; W975-V980 PolarHBondContact O-N 3.28Å; W975-L1004 HydrophobicContact CE3-CD2 3.81Å; W975-L1004 HydrophobicContact CZ3-CD2 4.31Å; W975-L1019 HydrophobicContact CB-CD1 3.85Å; W975-L1019 HydrophobicContact CD2-CD1 3.62Å; W975-L1019 HydrophobicContact CE3-CD1 3.6Å; W975-L1019 HydrophobicContact CE3-CD2 4.46Å; W975-L1019 HydrophobicContact CG-CD1 3.72Å; W975-L1019 HydrophobicContact CZ3-CD1 4.37Å; W975-V1023 VanDerWaalsContact CD1-CG1 3.42Å; W975-V1023 HydrophobicContact CG-CG1 4.25Å; W975-V1023 HydrophobicContact CG-CG2 4.29Å; W975-V1023 VanDerWaalsContact NE1-CG1 3.3Å; W975-F1028 HydrophobicContact CH2-CB 4.43Å; W975-F1028 AromaticContact CH2-CD2 3.57Å; W975-F1028 HydrophobicContact CH2-CD2 3.57Å; W975-F1028 HydrophobicContact CH2-CE2 4.29Å; W975-F1028 HydrophobicContact CH2-CG 4.41Å; W975-F1028 HydrophobicContact CZ2-CD2 4.43Å; W975-F1028 AromaticContact CZ3-CD2 3.66Å; W975-F1028 HydrophobicContact CZ3-CD2 3.66Å; W975-F1028 HydrophobicContact CZ3-CE2 4.06Å; W975-L1031 HydrophobicContact CH2-CB 4.32Å; W975-L1031 HydrophobicContact CH2-CD2 3.7Å; W975-L1031 HydrophobicContact CZ2-CB 4.48Å; W975-L1031 HydrophobicContact CZ2-CD2 3.96Å; W975-L1031 HydrophobicContact CZ3-CD2 4.43Å; W975-L1050 HydrophobicContact CH2-CD2 4.29Å; W975-L1050 HydrophobicContact CZ3-CD2 3.67Å |
| 976 | S | 82.5 | Confident | 74 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -64.3 | -54.3 | -172.7 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | S972 V980 D981 | S972-S976 PolarHBondContact O-N 3.11Å; S972-S976 VanDerWaalsContact O-N 3.09Å; S972-S976 PolarHBondContact O-OG 2.95Å; S972-S976 VanDerWaalsContact O-OG 3.11Å; S976-V980 WeakPolarHBondContact O-CB 3.49Å; S976-V980 PolarHBondContact O-N 2.69Å; S976-D981 PolarHBondContact O-N 2.78Å |
| 977 | Q | 77.3 | Confident | 71.8 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -94.2 | -16 | -168 | -62.8 | 170.9 | -69.2 | 0 | 0 | 113.4 | T860 R926 R973 D981 | T860-Q977 HydrophobicContact CG2-CB 3.87Å; T860-Q977 HydrophobicContact CG2-CG 4.42Å; T860-Q977 PolarHBondContact O-NE2 3.15Å; R926-Q977 PolarHBondContact NH2-O 3.06Å; R973-Q977 PolarHBondContact O-N 3.26Å; Q977-D981 WeakPolarHBondContact CA-OD2 3.14Å |
| 978 | G | 75.7 | Confident | 69.9 | Low | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -97.8 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L974 S982 C1000 | L974-G978 CarbonylContact O-C 3.58Å; L974-G978 WeakPolarHBondContact O-CA 3.34Å; L974-G978 PolarHBondContact O-N 3.19Å; L974-G978 VanDerWaalsContact O-N 3.16Å; G978-S982 PolarHBondContact O-OG 2.95Å; G978-C1000 VanDerWaalsContact CA-SG 3.59Å |
| 979 | I | 80.8 | Confident | 68.5 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -107.3 | -52.6 | -174.4 | -57 | 174.9 | 0 | 0 | 0 | 111.9 | L974 W975 T997 C1000 A1001 L1004 L1031 L1046 | L974-I979 PolarHBondContact O-N 2.71Å; W975-I979 HydrophobicContact CE3-CD1 3.98Å; W975-I979 HydrophobicContact CZ3-CD1 4.4Å; W975-I979 WeakPolarHBondContact O-CA 3.36Å; W975-I979 WeakPolarHBondContact O-CB 3.3Å; W975-I979 PolarHBondContact O-N 3.11Å; W975-I979 VanDerWaalsContact O-N 3.08Å; I979-T997 HydrophobicContact CG2-CG2 4.15Å; I979-C1000 HydrophobicContact CG1-CB 3.81Å; I979-A1001 HydrophobicContact CD1-CB 4.18Å; I979-L1004 HydrophobicContact CD1-CD2 3.7Å; I979-L1031 HydrophobicContact CG2-CD2 3.52Å; I979-L1046 HydrophobicContact CG2-CD1 4.48Å |
| 980 | V | 76.1 | Confident | 67.7 | Low | 49 Ų | 49 | 57.3 Ų | 57.3 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -72.4 | -52.6 | -174 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | W975 S976 S982 S983 T984 | W975-V980 HydrophobicContact CG-CG2 4.45Å; W975-V980 HydrophobicContact CZ2-CG2 4.37Å; W975-V980 PolarHBondContact O-N 3.28Å; S976-V980 WeakPolarHBondContact O-CB 3.49Å; S976-V980 PolarHBondContact O-N 2.69Å; V980-S982 PolarHBondContact O-N 3.41Å; V980-S983 PolarHBondContact O-N 3.14Å; V980-S983 PolarHBondContact O-OG 2.82Å; V980-T984 HydrophobicContact CG1-CG2 4.47Å; V980-T984 PolarHBondContact O-N 2.85Å |
| 981 | D | 64 | Low | 67 | Low | 67 Ų | 67 | 58.7 Ų | 58.7 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -20.1 | 178.6 | -72.4 | -12.6 | 0 | 0 | 0 | 113.1 | S976 Q977 T984 | S976-D981 PolarHBondContact O-N 2.78Å; Q977-D981 WeakPolarHBondContact CA-OD2 3.14Å; D981-T984 PolarHBondContact O-OG1 3Å |
| 982 | S | 56.6 | Low | 66.4 | Low | 14 Ų | 14 | 59.7 Ų | 59.7 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -79.9 | -21.9 | 174.6 | -60 | 0 | 0 | 0 | 0 | 113.8 | G978 V980 Q993 T997 | G978-S982 PolarHBondContact O-OG 2.95Å; V980-S982 PolarHBondContact O-N 3.41Å; S982-Q993 PolarHBondContact OG-NE2 3.34Å; S982-T997 WeakPolarHBondContact CB-OG1 3.31Å |
| 983 | S | 52.4 | Low | 65.9 | Low | 44 Ų | 44 | 59.7 Ų | 59.7 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -99.5 | -13.6 | -172.6 | 73 | 0 | 0 | 0 | 0 | 114.7 | V980 | V980-S983 PolarHBondContact O-N 3.14Å; V980-S983 PolarHBondContact O-OG 2.82Å |
| 984 | T | 49.5 | Very low | 65.4 | Low | 83 Ų | 83 | 58.4 Ų | 58.4 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | trans | -81 | -22.8 | -173.3 | 46.5 | 0 | 0 | 0 | 0 | 113.9 | V980 D981 R986 | V980-T984 HydrophobicContact CG1-CG2 4.47Å; V980-T984 PolarHBondContact O-N 2.85Å; D981-T984 PolarHBondContact O-OG1 3Å; T984-R986 VanDerWaalsContact C-N 3.28Å; T984-R986 PolarHBondContact O-N 2.87Å | ||
| 985 | N | 43.6 | Very low | 65 | Low | 121 Ų | 121 | 60 Ų | 60 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | trans | -74.5 | 74.9 | 175.1 | -77.5 | -24.6 | 0 | 0 | 0 | 111.8 | T987 | N985-T987 PolarHBondContact O-N 3.09Š| ||
| 986 | R | 43.5 | Very low | 64.8 | Low | 234 Ų | 234 | 59.9 Ų | 59.9 | 88% | 0.883 | 34% | 0.336 | S | S | * | . | trans | -71.9 | 21 | -178.1 | -66.8 | -178.5 | 172.4 | -171 | -3.6 | 115.1 | T984 | T984-R986 VanDerWaalsContact C-N 3.28Å; T984-R986 PolarHBondContact O-N 2.87Å | ||
| 987 | T | 39 | Very low | 64.8 | Low | 124 Ų | 124 | 58.4 Ų | 58.4 | 76% | 0.761 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -134.4 | 89 | -174 | 53.7 | 0 | 0 | 0 | 0 | 111 | N985 | N985-T987 PolarHBondContact O-N 3.09Š|
| 988 | G | 44.5 | Very low | 65 | Low | 68 Ų | 68 | 57.5 Ų | 57.5 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 83.9 | 114.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N990 | G988-N990 PolarHBondContact O-N 3.07Å; G988-N990 VanDerWaalsContact O-N 3.08Å |
| 989 | V | 54.4 | Low | 65.2 | Low | 83 Ų | 83 | 58 Ų | 58 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | trans | -74.3 | 101.7 | 179 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | P991 | V989-P991 VanDerWaalsContact O-CD 3.31Å; V989-P991 WeakPolarHBondContact O-CD 3.48Å | ||
| 990 | N | 66.9 | Low | 65.5 | Low | 79 Ų | 79 | 58 Ų | 58 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | trans | -75.9 | 109.8 | 164.5 | 179.3 | -12.4 | 0 | 0 | 0 | 108 | G988 I992 Q993 Q994 | G988-N990 PolarHBondContact O-N 3.07Å; G988-N990 VanDerWaalsContact O-N 3.08Å; N990-I992 VanDerWaalsContact C-N 3.27Å; N990-I992 PolarHBondContact O-N 3.3Å; N990-I992 WeakPolarHBondContact OD1-CB 3.32Å; N990-I992 PolarHBondContact OD1-N 3.09Å; N990-Q993 HydrophobicContact CB-CB 4.43Å; N990-Q993 WeakPolarHBondContact O-CA 3.49Å; N990-Q993 VanDerWaalsContact O-CB 3.23Å; N990-Q993 WeakPolarHBondContact O-CB 3.23Å; N990-Q993 PolarHBondContact O-N 3.26Å; N990-Q994 PolarHBondContact O-N 3.34Å | ||
| 991 | P | 71.6 | Confident | 65.8 | Low | 47 Ų | 47 | 55.6 Ų | 55.6 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -80.9 | -10.6 | -164.8 | 36.8 | -38.1 | 0 | 0 | 0 | 112.6 | L894 V989 Q993 Q994 E995 | L894-P991 HydrophobicContact CB-CG 4.37Å; L894-P991 HydrophobicContact CD1-CG 4.29Å; L894-P991 HydrophobicContact CD2-CB 3.81Å; L894-P991 HydrophobicContact CD2-CG 4.05Å; L894-P991 HydrophobicContact CG-CG 4.47Å; V989-P991 VanDerWaalsContact O-CD 3.31Å; V989-P991 WeakPolarHBondContact O-CD 3.48Å; P991-Q993 PolarHBondContact O-N 3.45Å; P991-Q994 WeakPolarHBondContact O-CB 3.04Å; P991-Q994 PolarHBondContact O-N 2.84Å; P991-E995 PolarHBondContact O-N 3.26Å |
| 992 | I | 74.3 | Confident | 66.6 | Low | 21 Ų | 21 | 52.9 Ų | 52.9 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 163.4 | -57 | 162 | 0 | 0 | 0 | 109.9 | L894 H924 L927 N990 L996 | L894-I992 HydrophobicContact CD1-CB 4.27Å; L894-I992 HydrophobicContact CD1-CG1 3.53Å; H924-I992 VanDerWaalsContact NE2-CD1 3.32Å; H924-I992 WeakPolarHBondContact NE2-CD1 3.49Å; L927-I992 HydrophobicContact CB-CG2 4.33Å; L927-I992 HydrophobicContact CD2-CG2 4.1Å; N990-I992 VanDerWaalsContact C-N 3.27Å; N990-I992 PolarHBondContact O-N 3.3Å; N990-I992 WeakPolarHBondContact OD1-CB 3.32Å; N990-I992 PolarHBondContact OD1-N 3.09Å; I992-L996 WeakPolarHBondContact O-CB 3.41Å; I992-L996 PolarHBondContact O-N 3.27Å |
| 993 | Q | 74.5 | Confident | 68 | Low | 29 Ų | 29 | 52.2 Ų | 52.2 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.9 | -33.7 | 179 | -158.5 | 69 | 26.2 | 0 | 0 | 111.1 | S982 N990 P991 T997 | S982-Q993 PolarHBondContact OG-NE2 3.34Å; N990-Q993 HydrophobicContact CB-CB 4.43Å; N990-Q993 WeakPolarHBondContact O-CA 3.49Å; N990-Q993 VanDerWaalsContact O-CB 3.23Å; N990-Q993 WeakPolarHBondContact O-CB 3.23Å; N990-Q993 PolarHBondContact O-N 3.26Å; P991-Q993 PolarHBondContact O-N 3.45Å; Q993-T997 PolarHBondContact O-N 2.99Å; Q993-T997 PolarHBondContact O-OG1 2.85Å |
| 994 | Q | 75 | Confident | 69.6 | Low | 68 Ų | 68 | 50.1 Ų | 50.1 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -52 | 171.5 | -171.7 | 177.6 | -0.5 | 0 | 0 | 110.7 | N990 P991 L996 T997 L998 Q1042 | N990-Q994 PolarHBondContact O-N 3.34Å; P991-Q994 WeakPolarHBondContact O-CB 3.04Å; P991-Q994 PolarHBondContact O-N 2.84Å; Q994-L996 VanDerWaalsContact C-N 3.31Å; Q994-L996 PolarHBondContact O-N 2.84Å; Q994-T997 WeakPolarHBondContact O-CA 3.12Å; Q994-T997 VanDerWaalsContact O-CB 3.3Å; Q994-T997 WeakPolarHBondContact O-CB 3.3Å; Q994-T997 PolarHBondContact O-N 2.72Å; Q994-L998 WeakPolarHBondContact O-CG 3.41Å; Q994-L998 PolarHBondContact O-N 3.38Å; Q994-Q1042 PolarHBondContact NE2-O 3.47Å |
| 995 | E | 76.2 | Confident | 71.1 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -39 | 178.9 | -160.1 | -176 | -160.9 | 0 | 0 | 112.2 | L927 K931 P991 T997 L998 S999 | L927-E995 HydrophobicContact CD1-CB 3.91Å; L927-E995 HydrophobicContact CD1-CG 3.93Å; L927-E995 VanDerWaalsContact CD2-OE2 3.24Å; L927-E995 WeakPolarHBondContact CD2-OE2 3.49Å; K931-E995 VanDerWaalsContact CE-CD 3.41Å; K931-E995 WeakPolarHBondContact CE-OE1 3.39Å; K931-E995 IonicContact NZ-OE1 2.81Å; K931-E995 PolarHBondContact NZ-OE1 3.22Å; K931-E995 IonicContact NZ-OE2 2.71Å; K931-E995 PolarHBondContact NZ-OE2 3.37Å; P991-E995 PolarHBondContact O-N 3.26Å; E995-T997 PolarHBondContact O-N 2.82Å; E995-L998 PolarHBondContact O-N 3.45Å; E995-S999 PolarHBondContact O-N 3.47Å |
| 996 | L | 82.9 | Confident | 72.7 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 171.4 | 175 | 62.8 | 0 | 0 | 0 | 111.7 | V859 R926 L927 I992 Q994 L998 S999 C1000 | V859-L996 HydrophobicContact CG1-CD1 4.49Å; R926-L996 HydrophobicContact CB-CD1 4.35Å; R926-L996 HydrophobicContact CB-CD2 4Å; L927-L996 HydrophobicContact CD1-CB 4.35Å; I992-L996 WeakPolarHBondContact O-CB 3.41Å; I992-L996 PolarHBondContact O-N 3.27Å; Q994-L996 VanDerWaalsContact C-N 3.31Å; Q994-L996 PolarHBondContact O-N 2.84Å; L996-L998 PolarHBondContact O-N 2.77Å; L996-S999 PolarHBondContact O-N 2.73Å; L996-C1000 WeakPolarHBondContact O-CB 3.41Å; L996-C1000 PolarHBondContact O-N 2.8Å; L996-C1000 PolarHBondContact O-SG 3.17Å |
| 997 | T | 82.1 | Confident | 74.7 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 178.5 | -52.1 | 0 | 0 | 0 | 0 | 111.4 | I979 S982 Q993 Q994 E995 C1000 A1001 L1046 | I979-T997 HydrophobicContact CG2-CG2 4.15Å; S982-T997 WeakPolarHBondContact CB-OG1 3.31Å; Q993-T997 PolarHBondContact O-N 2.99Å; Q993-T997 PolarHBondContact O-OG1 2.85Å; Q994-T997 WeakPolarHBondContact O-CA 3.12Å; Q994-T997 VanDerWaalsContact O-CB 3.3Å; Q994-T997 WeakPolarHBondContact O-CB 3.3Å; Q994-T997 PolarHBondContact O-N 2.72Å; E995-T997 PolarHBondContact O-N 2.82Å; T997-C1000 PolarHBondContact O-N 3.1Å; T997-A1001 WeakPolarHBondContact O-CB 3.35Å; T997-A1001 PolarHBondContact O-N 3.39Å; T997-L1046 HydrophobicContact CG2-CD1 3.91Å; T997-L1046 HydrophobicContact CG2-CD2 3.89Å |
| 998 | L | 80.7 | Confident | 76.8 | Confident | 29 Ų | 29 | 23.4 Ų | 23.4 | 15% | 0.152 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.7 | -38.8 | -179.7 | -62.4 | -179.6 | 0 | 0 | 0 | 112 | Q994 E995 L996 A1001 S1002 D1045 L1046 R1049 | Q994-L998 WeakPolarHBondContact O-CG 3.41Å; Q994-L998 PolarHBondContact O-N 3.38Å; E995-L998 PolarHBondContact O-N 3.45Å; L996-L998 PolarHBondContact O-N 2.77Å; L998-A1001 PolarHBondContact O-N 3.38Å; L998-S1002 WeakPolarHBondContact O-CB 3.46Å; L998-S1002 PolarHBondContact O-N 3.05Å; L998-D1045 HydrophobicContact CD2-CB 4.21Å; L998-L1046 HydrophobicContact CD2-CB 3.88Å; L998-R1049 VanDerWaalsContact O-CD 3.27Å; L998-R1049 WeakPolarHBondContact O-CD 3.47Å; L998-R1049 PolarHBondContact O-NE 3.07Å |
| 999 | S | 81.1 | Confident | 78.4 | Confident | 10 Ų | 10 | 22.8 Ų | 22.8 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.2 | -38.5 | 174.3 | -169 | 0 | 0 | 0 | 0 | 112.3 | S930 K931 E995 L996 S1002 T1003 | S930-S999 PolarHBondContact O-OG 3.45Å; S930-S999 VanDerWaalsContact OG-CB 3.23Å; S930-S999 WeakPolarHBondContact OG-CB 3.47Å; S930-S999 PolarHBondContact OG-OG 3.01Å; S930-S999 VanDerWaalsContact OG-OG 3.05Å; K931-S999 PolarHBondContact N-OG 3.23Å; E995-S999 PolarHBondContact O-N 3.47Å; L996-S999 PolarHBondContact O-N 2.73Å; S999-S1002 PolarHBondContact O-N 3.15Å; S999-T1003 PolarHBondContact O-N 3.25Å; S999-T1003 PolarHBondContact O-OG1 3.09Å |
| 1000 | C | 86.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.7 | -34.5 | 172.6 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | S930 G978 I979 L996 T997 T1003 L1004 | S930-C1000 PolarHBondContact OG-N 3.22Å; S930-C1000 PolarHBondContact OG-SG 3.17Å; G978-C1000 VanDerWaalsContact CA-SG 3.59Å; I979-C1000 HydrophobicContact CG1-CB 3.81Å; L996-C1000 WeakPolarHBondContact O-CB 3.41Å; L996-C1000 PolarHBondContact O-N 2.8Å; L996-C1000 PolarHBondContact O-SG 3.17Å; T997-C1000 PolarHBondContact O-N 3.1Å; C1000-T1003 WeakPolarHBondContact CA-OG1 3.32Å; C1000-T1003 PolarHBondContact O-OG1 2.83Å; C1000-L1004 VanDerWaalsContact O-CB 3.25Å; C1000-L1004 WeakPolarHBondContact O-CB 3.41Å; C1000-L1004 PolarHBondContact O-N 3.37Å |
| 1001 | A | 83.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -74.8 | -30.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I979 T997 L998 A1005 L1046 R1049 | I979-A1001 HydrophobicContact CD1-CB 4.18Å; T997-A1001 WeakPolarHBondContact O-CB 3.35Å; T997-A1001 PolarHBondContact O-N 3.39Å; L998-A1001 PolarHBondContact O-N 3.38Å; A1001-A1005 PolarHBondContact O-N 3.38Å; A1001-L1046 HydrophobicContact CB-CD1 3.68Å; A1001-R1049 HydrophobicContact CB-CB 3.86Å |
| 1002 | S | 80.3 | Confident | 80.5 | Confident | 9 Ų | 9 | 17.5 Ų | 17.5 | 6% | 0.063 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.5 | -56.1 | 175.6 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | W547 D934 L998 S999 L1004 A1005 G1006 | W547-S1002 WeakPolarHBondContact CZ3-O 3.48Å; D934-S1002 VanDerWaalsContact CG-OG 3.32Å; D934-S1002 WeakPolarHBondContact OD1-CB 3.34Å; D934-S1002 PolarHBondContact OD1-OG 2.7Å; D934-S1002 PolarHBondContact OD2-OG 3.06Å; L998-S1002 WeakPolarHBondContact O-CB 3.46Å; L998-S1002 PolarHBondContact O-N 3.05Å; S999-S1002 PolarHBondContact O-N 3.15Å; S1002-L1004 VanDerWaalsContact C-N 3.3Å; S1002-L1004 PolarHBondContact O-N 3.23Å; S1002-A1005 WeakPolarHBondContact O-CB 3.38Å; S1002-A1005 PolarHBondContact O-N 3.35Å; S1002-G1006 PolarHBondContact O-N 3.36Å; S1002-G1006 VanDerWaalsContact O-N 3.09Å |
| 1003 | T | 84.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -50.8 | -47.6 | 172.9 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | L933 D934 S999 C1000 A1005 G1006 I1007 | L933-T1003 HydrophobicContact CB-CG2 3.93Å; L933-T1003 HydrophobicContact CD2-CG2 4.02Å; L933-T1003 HydrophobicContact CG-CG2 3.73Å; D934-T1003 HydrophobicContact CB-CG2 3.72Å; D934-T1003 VanDerWaalsContact N-CG2 3.26Å; D934-T1003 PolarHBondContact OD1-N 2.92Å; D934-T1003 VanDerWaalsContact OD1-N 3.12Å; S999-T1003 PolarHBondContact O-N 3.25Å; S999-T1003 PolarHBondContact O-OG1 3.09Å; C1000-T1003 WeakPolarHBondContact CA-OG1 3.32Å; C1000-T1003 PolarHBondContact O-OG1 2.83Å; T1003-A1005 VanDerWaalsContact C-N 3.31Å; T1003-A1005 PolarHBondContact O-N 3.5Å; T1003-G1006 PolarHBondContact O-N 3.19Å; T1003-G1006 VanDerWaalsContact O-N 3.14Å; T1003-I1007 VanDerWaalsContact O-CG1 3.26Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.24Å; T1003-I1007 PolarHBondContact O-N 3.03Å |
| 1004 | L | 87.1 | Confident | 81.2 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.7 | -41 | 178 | 179.2 | 61.5 | 0 | 0 | 0 | 112.8 | V971 W975 I979 C1000 S1002 I1008 T1053 | V971-L1004 HydrophobicContact CB-CD1 4.48Å; V971-L1004 HydrophobicContact CG1-CD1 3.84Å; V971-L1004 HydrophobicContact CG2-CD1 4.45Å; W975-L1004 HydrophobicContact CE3-CD2 3.81Å; W975-L1004 HydrophobicContact CZ3-CD2 4.31Å; I979-L1004 HydrophobicContact CD1-CD2 3.7Å; C1000-L1004 VanDerWaalsContact O-CB 3.25Å; C1000-L1004 WeakPolarHBondContact O-CB 3.41Å; C1000-L1004 PolarHBondContact O-N 3.37Å; S1002-L1004 VanDerWaalsContact C-N 3.3Å; S1002-L1004 PolarHBondContact O-N 3.23Å; L1004-I1008 HydrophobicContact CD1-CD1 3.7Å; L1004-I1008 HydrophobicContact CD1-CG1 4.33Å; L1004-I1008 HydrophobicContact CG-CD1 3.92Å; L1004-I1008 WeakPolarHBondContact O-CB 3.32Å; L1004-I1008 WeakPolarHBondContact O-CD1 3.27Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.18Å; L1004-I1008 PolarHBondContact O-N 3.21Å; L1004-T1053 HydrophobicContact CB-CG2 4.4Å; L1004-T1053 HydrophobicContact CD2-CG2 4.15Å; L1004-T1053 HydrophobicContact CG-CG2 3.89Å |
| 1005 | A | 80.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1001 S1002 T1003 I1008 R1009 T1053 | A1001-A1005 PolarHBondContact O-N 3.38Å; S1002-A1005 WeakPolarHBondContact O-CB 3.38Å; S1002-A1005 PolarHBondContact O-N 3.35Å; T1003-A1005 VanDerWaalsContact C-N 3.31Å; T1003-A1005 PolarHBondContact O-N 3.5Å; A1005-I1008 PolarHBondContact O-N 2.84Å; A1005-R1009 WeakPolarHBondContact O-CB 3.13Å; A1005-R1009 PolarHBondContact O-N 3.05Å; A1005-T1053 HydrophobicContact CB-CG2 3.81Å |
| 1006 | G | 77.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W547 H941 S1002 T1003 R1009 L1010 | W547-G1006 VanDerWaalsContact CZ3-CA 3.42Å; H941-G1006 PolarHBondContact NE2-O 2.92Å; S1002-G1006 PolarHBondContact O-N 3.36Å; S1002-G1006 VanDerWaalsContact O-N 3.09Å; T1003-G1006 PolarHBondContact O-N 3.19Å; T1003-G1006 VanDerWaalsContact O-N 3.14Å; G1006-R1009 PolarHBondContact O-N 2.98Å; G1006-L1010 WeakPolarHBondContact O-CG 3.28Å; G1006-L1010 PolarHBondContact O-N 3.39Å; G1006-L1010 VanDerWaalsContact O-N 3.16Å |
| 1007 | I | 84.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.9 | -42.5 | 179.7 | -63.8 | 171.9 | 0 | 0 | 0 | 111.2 | V937 I965 I970 V971 L974 T1003 R1009 L1010 N1011 L1014 | V937-I1007 HydrophobicContact CG1-CG1 4.28Å; V937-I1007 HydrophobicContact CG2-CD1 4.47Å; V937-I1007 HydrophobicContact CG2-CG1 4.1Å; I965-I1007 HydrophobicContact CG2-CD1 3.53Å; I965-I1007 HydrophobicContact CG2-CG1 3.52Å; I965-I1007 HydrophobicContact CG2-CG2 4.4Å; I970-I1007 HydrophobicContact CG2-CD1 4.06Å; V971-I1007 HydrophobicContact CG2-CG2 3.8Å; L974-I1007 HydrophobicContact CD1-CD1 3.67Å; T1003-I1007 VanDerWaalsContact O-CG1 3.26Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.24Å; T1003-I1007 PolarHBondContact O-N 3.03Å; I1007-R1009 VanDerWaalsContact C-N 3.31Å; I1007-R1009 PolarHBondContact O-N 3.12Å; I1007-L1010 PolarHBondContact O-N 2.99Å; I1007-N1011 PolarHBondContact O-N 3.2Å; I1007-L1014 HydrophobicContact CG2-CD1 3.88Å |
| 1008 | I | 83.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.9 | -34.3 | 175.6 | -71 | 164.3 | 0 | 0 | 0 | 111.1 | L1004 A1005 L1010 N1011 P1012 F1015 L1019 T1053 A1056 | L1004-I1008 HydrophobicContact CD1-CD1 3.7Å; L1004-I1008 HydrophobicContact CD1-CG1 4.33Å; L1004-I1008 HydrophobicContact CG-CD1 3.92Å; L1004-I1008 WeakPolarHBondContact O-CB 3.32Å; L1004-I1008 WeakPolarHBondContact O-CD1 3.27Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.18Å; L1004-I1008 PolarHBondContact O-N 3.21Å; A1005-I1008 PolarHBondContact O-N 2.84Å; I1008-L1010 VanDerWaalsContact C-N 3.34Å; I1008-L1010 PolarHBondContact O-N 3.17Å; I1008-N1011 CarbonylContact O-C 3.27Å; I1008-N1011 PolarHBondContact O-N 3.43Å; I1008-P1012 WeakPolarHBondContact O-CA 3.46Å; I1008-P1012 WeakPolarHBondContact O-CD 2.81Å; I1008-F1015 HydrophobicContact CD1-CB 4.5Å; I1008-F1015 HydrophobicContact CD1-CD2 4.15Å; I1008-F1015 HydrophobicContact CG2-CB 3.92Å; I1008-L1019 HydrophobicContact CD1-CD2 4.4Å; I1008-T1053 HydrophobicContact CD1-CG2 4.17Å; I1008-A1056 HydrophobicContact CG2-CB 4Å |
| 1009 | R | 77 | Confident | 81.6 | Confident | 56 Ų | 56 | 16.3 Ų | 16.3 | 21% | 0.211 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.1 | -33.7 | 174 | -171.4 | 175.7 | 174.2 | 176 | -0.6 | 112.8 | L543 I544 P546 A1005 G1006 I1007 A1056 I1060 | L543-R1009 PolarHBondContact O-NH1 3.13Å; I544-R1009 PolarHBondContact O-NH1 2.92Å; P546-R1009 VanDerWaalsContact CD-NH1 3.28Å; A1005-R1009 WeakPolarHBondContact O-CB 3.13Å; A1005-R1009 PolarHBondContact O-N 3.05Å; G1006-R1009 PolarHBondContact O-N 2.98Å; I1007-R1009 VanDerWaalsContact C-N 3.31Å; I1007-R1009 PolarHBondContact O-N 3.12Å; R1009-A1056 HydrophobicContact CB-CB 4.31Å; R1009-I1060 HydrophobicContact CG-CD1 4.15Å |
| 1010 | L | 77.7 | Confident | 81.7 | Confident | 31 Ų | 31 | 16.7 Ų | 16.7 | 16% | 0.162 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70 | -34.8 | 175.2 | -67.4 | 172.2 | 0 | 0 | 0 | 113 | I940 Y946 T966 G1006 I1007 I1008 | I940-L1010 HydrophobicContact CG2-CD1 4.01Å; I940-L1010 HydrophobicContact CG2-CD2 3.92Å; Y946-L1010 HydrophobicContact CD1-CD2 3.58Å; Y946-L1010 HydrophobicContact CE1-CD2 4.38Å; Y946-L1010 HydrophobicContact CG-CD2 4.03Å; T966-L1010 HydrophobicContact CG2-CB 4.09Å; G1006-L1010 WeakPolarHBondContact O-CG 3.28Å; G1006-L1010 PolarHBondContact O-N 3.39Å; G1006-L1010 VanDerWaalsContact O-N 3.16Å; I1007-L1010 PolarHBondContact O-N 2.99Å; I1008-L1010 VanDerWaalsContact C-N 3.34Å; I1008-L1010 PolarHBondContact O-N 3.17Å |
| 1011 | N | 81.7 | Confident | 81.4 | Confident | 49 Ų | 49 | 21.6 Ų | 21.6 | 26% | 0.262 | 12% | 0.115 | S | C | . | . | trans | -145.3 | 91.4 | 174.1 | -177.1 | -2.6 | 0 | 0 | 0 | 110.9 | T966 I1007 I1008 N1013 L1014 | T966-N1011 HydrophobicContact CG2-CB 4.47Å; I1007-N1011 PolarHBondContact O-N 3.2Å; I1008-N1011 CarbonylContact O-C 3.27Å; I1008-N1011 PolarHBondContact O-N 3.43Å; N1011-N1013 PolarHBondContact O-N 3.45Å; N1011-N1013 WeakPolarHBondContact OD1-CB 3.34Å; N1011-N1013 PolarHBondContact OD1-N 2.87Å; N1011-N1013 PolarHBondContact OD1-ND2 3.37Å; N1011-L1014 HydrophobicContact CB-CD1 3.9Å; N1011-L1014 HydrophobicContact CB-CG 4.03Å; N1011-L1014 VanDerWaalsContact O-CB 3.29Å; N1011-L1014 WeakPolarHBondContact O-CB 3.43Å; N1011-L1014 WeakPolarHBondContact O-CG 3.26Å; N1011-L1014 PolarHBondContact O-N 2.69Å | ||
| 1012 | P | 79 | Confident | 81.2 | Confident | 18 Ų | 18 | 27.4 Ų | 27.4 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26 | -175.9 | -31.5 | 37.5 | 0 | 0 | 0 | 115.1 | I1008 L1014 F1015 I1060 P1061 | I1008-P1012 WeakPolarHBondContact O-CA 3.46Å; I1008-P1012 WeakPolarHBondContact O-CD 2.81Å; P1012-L1014 PolarHBondContact O-N 2.91Å; P1012-F1015 VanDerWaalsContact O-CB 3.32Å; P1012-F1015 WeakPolarHBondContact O-CB 3.41Å; P1012-F1015 PolarHBondContact O-N 3.05Å; P1012-I1060 HydrophobicContact CB-CB 4.43Å; P1012-I1060 HydrophobicContact CG-CB 3.83Å; P1012-I1060 HydrophobicContact CG-CD1 4.08Å; P1012-I1060 HydrophobicContact CG-CG2 3.81Å; P1012-P1061 HydrophobicContact CB-CG 3.64Å |
| 1013 | N | 79 | Confident | 81.1 | Confident | 81 Ų | 81 | 29 Ų | 29 | 43% | 0.433 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.3 | -28 | 176.9 | -55 | -77.1 | 0 | 0 | 0 | 112.3 | N1011 F1015 T1016 T1017 | N1011-N1013 PolarHBondContact O-N 3.45Å; N1011-N1013 WeakPolarHBondContact OD1-CB 3.34Å; N1011-N1013 PolarHBondContact OD1-N 2.87Å; N1011-N1013 PolarHBondContact OD1-ND2 3.37Å; N1013-F1015 PolarHBondContact O-N 2.74Å; N1013-T1016 PolarHBondContact O-N 2.97Å; N1013-T1016 PolarHBondContact O-OG1 2.88Å; N1013-T1017 PolarHBondContact O-N 2.79Å; N1013-T1017 PolarHBondContact O-OG1 2.62Å |
| 1014 | L | 84.6 | Confident | 80.8 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -23 | 176.3 | -64.8 | 176.1 | 0 | 0 | 0 | 113.1 | V971 I1007 N1011 P1012 T1016 G1018 L1019 | V971-L1014 HydrophobicContact CG2-CB 4.26Å; V971-L1014 HydrophobicContact CG2-CD1 4.25Å; I1007-L1014 HydrophobicContact CG2-CD1 3.88Å; N1011-L1014 HydrophobicContact CB-CD1 3.9Å; N1011-L1014 HydrophobicContact CB-CG 4.03Å; N1011-L1014 VanDerWaalsContact O-CB 3.29Å; N1011-L1014 WeakPolarHBondContact O-CB 3.43Å; N1011-L1014 WeakPolarHBondContact O-CG 3.26Å; N1011-L1014 PolarHBondContact O-N 2.69Å; P1012-L1014 PolarHBondContact O-N 2.91Å; L1014-T1016 VanDerWaalsContact C-N 3.33Å; L1014-G1018 CarbonylContact O-C 3.45Å; L1014-G1018 WeakPolarHBondContact O-CA 3.48Å; L1014-G1018 PolarHBondContact O-N 2.88Å; L1014-L1019 PolarHBondContact O-N 3.42Å |
| 1015 | F | 83.7 | Confident | 80.4 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -61.2 | -45.2 | 170.1 | -179.8 | -107.1 | 0 | 0 | 0 | 110.6 | I1008 P1012 N1013 L1019 I1020 F1028 A1054 L1058 L1104 | I1008-F1015 HydrophobicContact CD1-CB 4.5Å; I1008-F1015 HydrophobicContact CD1-CD2 4.15Å; I1008-F1015 HydrophobicContact CG2-CB 3.92Å; P1012-F1015 VanDerWaalsContact O-CB 3.32Å; P1012-F1015 WeakPolarHBondContact O-CB 3.41Å; P1012-F1015 PolarHBondContact O-N 3.05Å; N1013-F1015 PolarHBondContact O-N 2.74Å; F1015-L1019 HydrophobicContact CD2-CD2 4Å; F1015-L1019 HydrophobicContact CE2-CD2 4.07Å; F1015-L1019 WeakPolarHBondContact O-CB 3.48Å; F1015-I1020 HydrophobicContact CD1-CG1 4.32Å; F1015-I1020 HydrophobicContact CE1-CD1 4.45Å; F1015-I1020 HydrophobicContact CE1-CG1 3.98Å; F1015-I1020 HydrophobicContact CE2-CD1 4.48Å; F1015-I1020 HydrophobicContact CE2-CG1 4.43Å; F1015-I1020 HydrophobicContact CZ-CD1 4.08Å; F1015-I1020 HydrophobicContact CZ-CG1 4.05Å; F1015-I1020 WeakPolarHBondContact O-CG1 3.49Å; F1015-I1020 PolarHBondContact O-N 3.28Å; F1015-F1028 AromaticContact CE2-CE1 3.93Å; F1015-F1028 HydrophobicContact CE2-CE1 3.93Å; F1015-F1028 HydrophobicContact CE2-CE2 4.12Å; F1015-F1028 AromaticContact CE2-CZ 3.69Å; F1015-F1028 HydrophobicContact CE2-CZ 3.69Å; F1015-F1028 HydrophobicContact CZ-CD1 4.45Å; F1015-F1028 AromaticContact CZ-CE1 3.91Å; F1015-F1028 HydrophobicContact CZ-CE1 3.91Å; F1015-F1028 HydrophobicContact CZ-CZ 4.14Å; F1015-A1054 HydrophobicContact CZ-CB 4.42Å; F1015-L1058 HydrophobicContact CD1-CD2 4.32Å; F1015-L1058 HydrophobicContact CD1-CG 4.38Å; F1015-L1058 HydrophobicContact CE1-CD1 4.38Å; F1015-L1058 HydrophobicContact CE1-CD2 3.83Å; F1015-L1058 HydrophobicContact CE1-CG 3.81Å; F1015-L1058 HydrophobicContact CZ-CG 4.48Å; F1015-L1104 HydrophobicContact CE1-CD2 3.64Å; F1015-L1104 HydrophobicContact CZ-CD2 3.78Å |
| 1016 | T | 79.4 | Confident | 80.3 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -74.4 | -61.1 | 173.9 | 44.5 | 0 | 0 | 0 | 0 | 112.2 | N1013 L1014 G1018 I1020 D1021 P1098 A1100 C1101 | N1013-T1016 PolarHBondContact O-N 2.97Å; N1013-T1016 PolarHBondContact O-OG1 2.88Å; L1014-T1016 VanDerWaalsContact C-N 3.33Å; T1016-G1018 PolarHBondContact O-N 2.96Å; T1016-I1020 PolarHBondContact O-N 3.34Å; T1016-D1021 VanDerWaalsContact O-CB 3.31Å; T1016-D1021 WeakPolarHBondContact O-CB 3.2Å; T1016-D1021 PolarHBondContact O-N 3.03Å; T1016-P1098 HydrophobicContact CG2-CB 4.36Å; T1016-A1100 HydrophobicContact CG2-CB 3.48Å; T1016-A1100 VanDerWaalsContact CG2-CB 3.48Å; T1016-C1101 WeakPolarHBondContact CG2-SG 3.31Å |
| 1017 | T | 80 | Confident | 80.4 | Confident | 74 Ų | 74 | 37.6 Ų | 37.6 | 45% | 0.454 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -82.9 | -16.5 | -167.1 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | N1013 D1021 | N1013-T1017 PolarHBondContact O-N 2.79Å; N1013-T1017 PolarHBondContact O-OG1 2.62Å; T1017-D1021 WeakPolarHBondContact CA-OD2 3.41Å |
| 1018 | G | 77.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -103.5 | -39.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1014 T1016 R1022 | L1014-G1018 CarbonylContact O-C 3.45Å; L1014-G1018 WeakPolarHBondContact O-CA 3.48Å; L1014-G1018 PolarHBondContact O-N 2.88Å; T1016-G1018 PolarHBondContact O-N 2.96Å; G1018-R1022 WeakPolarHBondContact O-CD 3.49Å |
| 1019 | L | 83.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -102 | -72 | -178.5 | -174.4 | 65.2 | 0 | 0 | 0 | 111.7 | V971 W975 I1008 L1014 F1015 D1021 R1022 V1023 F1028 | V971-L1019 HydrophobicContact CG1-CB 3.84Å; W975-L1019 HydrophobicContact CB-CD1 3.85Å; W975-L1019 HydrophobicContact CD2-CD1 3.62Å; W975-L1019 HydrophobicContact CE3-CD1 3.6Å; W975-L1019 HydrophobicContact CE3-CD2 4.46Å; W975-L1019 HydrophobicContact CG-CD1 3.72Å; W975-L1019 HydrophobicContact CZ3-CD1 4.37Å; I1008-L1019 HydrophobicContact CD1-CD2 4.4Å; L1014-L1019 PolarHBondContact O-N 3.42Å; F1015-L1019 HydrophobicContact CD2-CD2 4Å; F1015-L1019 HydrophobicContact CE2-CD2 4.07Å; F1015-L1019 WeakPolarHBondContact O-CB 3.48Å; L1019-D1021 PolarHBondContact O-N 3.45Å; L1019-R1022 PolarHBondContact O-N 3.38Å; L1019-V1023 HydrophobicContact CD1-CB 4.5Å; L1019-V1023 HydrophobicContact CD1-CG2 4.1Å; L1019-V1023 VanDerWaalsContact O-CB 3.24Å; L1019-V1023 WeakPolarHBondContact O-CB 3.48Å; L1019-V1023 WeakPolarHBondContact O-CG2 3.47Å; L1019-V1023 PolarHBondContact O-N 3.2Å; L1019-F1028 HydrophobicContact CD2-CD2 3.74Å; L1019-F1028 HydrophobicContact CD2-CE2 3.82Å |
| 1020 | I | 84 | Confident | 80.4 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -62.1 | -46.3 | -170 | -61.5 | -66.6 | 0 | 0 | 0 | 112.8 | F1015 T1016 R1022 G1024 F1028 L1104 | F1015-I1020 HydrophobicContact CD1-CG1 4.32Å; F1015-I1020 HydrophobicContact CE1-CD1 4.45Å; F1015-I1020 HydrophobicContact CE1-CG1 3.98Å; F1015-I1020 HydrophobicContact CE2-CD1 4.48Å; F1015-I1020 HydrophobicContact CE2-CG1 4.43Å; F1015-I1020 HydrophobicContact CZ-CD1 4.08Å; F1015-I1020 HydrophobicContact CZ-CG1 4.05Å; F1015-I1020 WeakPolarHBondContact O-CG1 3.49Å; F1015-I1020 PolarHBondContact O-N 3.28Å; T1016-I1020 PolarHBondContact O-N 3.34Å; I1020-R1022 VanDerWaalsContact C-N 3.25Å; I1020-R1022 PolarHBondContact O-N 3.3Å; I1020-G1024 WeakPolarHBondContact O-CA 3.39Å; I1020-G1024 PolarHBondContact O-N 3.02Å; I1020-F1028 HydrophobicContact CD1-CB 4.03Å; I1020-F1028 HydrophobicContact CD1-CD1 4.16Å; I1020-F1028 HydrophobicContact CD1-CG 4.12Å; I1020-L1104 HydrophobicContact CD1-CD2 4.16Å; I1020-L1104 HydrophobicContact CG1-CD2 4.47Å |
| 1021 | D | 80.8 | Confident | 80.4 | Confident | 102 Ų | 102 | 37.8 Ų | 37.8 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.1 | -18.3 | -177.3 | -67.6 | -26.6 | 0 | 0 | 0 | 113.3 | T1016 T1017 L1019 | T1016-D1021 VanDerWaalsContact O-CB 3.31Å; T1016-D1021 WeakPolarHBondContact O-CB 3.2Å; T1016-D1021 PolarHBondContact O-N 3.03Å; T1017-D1021 WeakPolarHBondContact CA-OD2 3.41Å; L1019-D1021 PolarHBondContact O-N 3.45Å |
| 1022 | R | 79.8 | Confident | 80.4 | Confident | 122 Ų | 122 | 35.6 Ų | 35.6 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -107.1 | -27.2 | -176 | -73.8 | 175 | 160 | -132.2 | 3.1 | 114.2 | G968 D969 G1018 L1019 I1020 | G968-R1022 PolarHBondContact O-NH1 3.38Å; D969-R1022 IonicContact OD1-CZ 2.7Å; D969-R1022 IonicContact OD1-NH1 2.66Å; D969-R1022 PolarHBondContact OD1-NH1 2.91Å; D969-R1022 IonicContact OD1-NH2 3.41Å; D969-R1022 PolarHBondContact OD1-NH2 3.36Å; G1018-R1022 WeakPolarHBondContact O-CD 3.49Å; L1019-R1022 PolarHBondContact O-N 3.38Å; I1020-R1022 VanDerWaalsContact C-N 3.25Å; I1020-R1022 PolarHBondContact O-N 3.3Å |
| 1023 | V | 77.7 | Confident | 80.2 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 26% | 0.255 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -109 | -26.8 | -177.2 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | W975 L1019 A1027 | W975-V1023 VanDerWaalsContact CD1-CG1 3.42Å; W975-V1023 HydrophobicContact CG-CG1 4.25Å; W975-V1023 HydrophobicContact CG-CG2 4.29Å; W975-V1023 VanDerWaalsContact NE1-CG1 3.3Å; L1019-V1023 HydrophobicContact CD1-CB 4.5Å; L1019-V1023 HydrophobicContact CD1-CG2 4.1Å; L1019-V1023 VanDerWaalsContact O-CB 3.24Å; L1019-V1023 WeakPolarHBondContact O-CB 3.48Å; L1019-V1023 WeakPolarHBondContact O-CG2 3.47Å; L1019-V1023 PolarHBondContact O-N 3.2Å; V1023-A1027 HydrophobicContact CG1-CB 3.89Å |
| 1024 | G | 78 | Confident | 79.4 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | trans | 90.5 | 141 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | I1020 S1026 A1027 | I1020-G1024 WeakPolarHBondContact O-CA 3.39Å; I1020-G1024 PolarHBondContact O-N 3.02Å; G1024-S1026 VanDerWaalsContact C-N 3.27Å; G1024-S1026 PolarHBondContact O-N 3.27Å; G1024-A1027 PolarHBondContact O-N 2.86Å | ||
| 1025 | S | 79.3 | Confident | 78.1 | Confident | 29 Ų | 29 | 40.8 Ų | 40.8 | 20% | 0.203 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.3 | -35.4 | 178.7 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | A1027 F1028 I1029 E1107 | S1025-A1027 VanDerWaalsContact C-N 3.34Å; S1025-A1027 PolarHBondContact O-N 2.8Å; S1025-F1028 PolarHBondContact O-N 3.03Å; S1025-F1028 VanDerWaalsContact O-N 3.16Å; S1025-I1029 WeakPolarHBondContact O-CB 3.23Å; S1025-I1029 VanDerWaalsContact O-CG1 3.25Å; S1025-I1029 WeakPolarHBondContact O-CG1 3.43Å; S1025-I1029 PolarHBondContact O-N 3.26Å; S1025-E1107 WeakPolarHBondContact CB-OE2 3.46Å; S1025-E1107 PolarHBondContact OG-OE2 2.95Å |
| 1026 | S | 79.1 | Confident | 76.5 | Confident | 86 Ų | 86 | 46.4 Ų | 46.4 | 60% | 0.601 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.8 | -39.3 | -180 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | G1024 G1030 | G1024-S1026 VanDerWaalsContact C-N 3.27Å; G1024-S1026 PolarHBondContact O-N 3.27Å; S1026-G1030 PolarHBondContact O-N 2.97Å |
| 1027 | A | 79.5 | Confident | 74.6 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.9 | -34.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1023 G1024 S1025 | V1023-A1027 HydrophobicContact CG1-CB 3.89Å; G1024-A1027 PolarHBondContact O-N 2.86Å; S1025-A1027 VanDerWaalsContact C-N 3.34Å; S1025-A1027 PolarHBondContact O-N 2.8Å |
| 1028 | F | 83.5 | Confident | 72.7 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.2 | -47.9 | 173.6 | -176.2 | -103.7 | 0 | 0 | 0 | 111.7 | W975 F1015 L1019 I1020 S1025 L1031 I1032 L1050 T1053 A1054 | W975-F1028 HydrophobicContact CH2-CB 4.43Å; W975-F1028 AromaticContact CH2-CD2 3.57Å; W975-F1028 HydrophobicContact CH2-CD2 3.57Å; W975-F1028 HydrophobicContact CH2-CE2 4.29Å; W975-F1028 HydrophobicContact CH2-CG 4.41Å; W975-F1028 HydrophobicContact CZ2-CD2 4.43Å; W975-F1028 AromaticContact CZ3-CD2 3.66Å; W975-F1028 HydrophobicContact CZ3-CD2 3.66Å; W975-F1028 HydrophobicContact CZ3-CE2 4.06Å; F1015-F1028 AromaticContact CE2-CE1 3.93Å; F1015-F1028 HydrophobicContact CE2-CE1 3.93Å; F1015-F1028 HydrophobicContact CE2-CE2 4.12Å; F1015-F1028 AromaticContact CE2-CZ 3.69Å; F1015-F1028 HydrophobicContact CE2-CZ 3.69Å; F1015-F1028 HydrophobicContact CZ-CD1 4.45Å; F1015-F1028 AromaticContact CZ-CE1 3.91Å; F1015-F1028 HydrophobicContact CZ-CE1 3.91Å; F1015-F1028 HydrophobicContact CZ-CZ 4.14Å; L1019-F1028 HydrophobicContact CD2-CD2 3.74Å; L1019-F1028 HydrophobicContact CD2-CE2 3.82Å; I1020-F1028 HydrophobicContact CD1-CB 4.03Å; I1020-F1028 HydrophobicContact CD1-CD1 4.16Å; I1020-F1028 HydrophobicContact CD1-CG 4.12Å; S1025-F1028 PolarHBondContact O-N 3.03Å; S1025-F1028 VanDerWaalsContact O-N 3.16Å; F1028-L1031 PolarHBondContact O-N 3.41Å; F1028-I1032 HydrophobicContact CD1-CD1 3.94Å; F1028-I1032 HydrophobicContact CE1-CD1 3.41Å; F1028-I1032 VanDerWaalsContact CE1-CD1 3.41Å; F1028-I1032 HydrophobicContact CE2-CD1 4.06Å; F1028-I1032 HydrophobicContact CG-CD1 4.47Å; F1028-I1032 HydrophobicContact CZ-CD1 3.47Å; F1028-I1032 VanDerWaalsContact CZ-CD1 3.47Å; F1028-L1050 HydrophobicContact CE2-CD2 4.43Å; F1028-T1053 WeakPolarHBondContact CE2-OG1 3.46Å; F1028-A1054 HydrophobicContact CE1-CB 4.09Å; F1028-A1054 HydrophobicContact CZ-CB 4Å |
| 1029 | I | 82.5 | Confident | 70.5 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 178.5 | -66.2 | 163.5 | 0 | 0 | 0 | 110.7 | S1025 L1031 I1032 E1033 L1104 E1107 K1109 F1110 | S1025-I1029 WeakPolarHBondContact O-CB 3.23Å; S1025-I1029 VanDerWaalsContact O-CG1 3.25Å; S1025-I1029 WeakPolarHBondContact O-CG1 3.43Å; S1025-I1029 PolarHBondContact O-N 3.26Å; I1029-L1031 PolarHBondContact O-N 3.3Å; I1029-I1032 CarbonylContact O-C 3.57Å; I1029-I1032 PolarHBondContact O-N 3.11Å; I1029-E1033 PolarHBondContact O-N 3.39Å; I1029-L1104 HydrophobicContact CD1-CD1 4.23Å; I1029-E1107 VanDerWaalsContact CD1-OE1 3.31Å; I1029-E1107 WeakPolarHBondContact CD1-OE1 3.49Å; I1029-K1109 HydrophobicContact CG2-CB 4.43Å; I1029-F1110 HydrophobicContact CD1-CB 4Å; I1029-F1110 HydrophobicContact CG1-CB 4.32Å; I1029-F1110 HydrophobicContact CG1-CD2 4.21Å |
| 1030 | G | 78.3 | Confident | 68.3 | Low | 54 Ų | 54 | 60.7 Ų | 60.7 | 56% | 0.557 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1026 | S1026-G1030 PolarHBondContact O-N 2.97Š|
| 1031 | L | 78.5 | Confident | 66.2 | Low | 29 Ų | 29 | 63.8 Ų | 63.8 | 15% | 0.152 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -10.2 | 171.8 | -167.1 | 61.1 | 0 | 0 | 0 | 112.8 | W975 I979 F1028 I1029 L1050 | W975-L1031 HydrophobicContact CH2-CB 4.32Å; W975-L1031 HydrophobicContact CH2-CD2 3.7Å; W975-L1031 HydrophobicContact CZ2-CB 4.48Å; W975-L1031 HydrophobicContact CZ2-CD2 3.96Å; W975-L1031 HydrophobicContact CZ3-CD2 4.43Å; I979-L1031 HydrophobicContact CG2-CD2 3.52Å; F1028-L1031 PolarHBondContact O-N 3.41Å; I1029-L1031 PolarHBondContact O-N 3.3Å; L1031-L1050 HydrophobicContact CB-CD1 4.34Å; L1031-L1050 HydrophobicContact CD2-CD1 3.7Å; L1031-L1050 HydrophobicContact CG-CD1 3.75Å |
| 1032 | I | 81.1 | Confident | 64.7 | Low | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -22.2 | 176.5 | -62.4 | 174.4 | 0 | 0 | 0 | 111.1 | F1028 I1029 L1050 L1051 T1113 H1117 | F1028-I1032 HydrophobicContact CD1-CD1 3.94Å; F1028-I1032 HydrophobicContact CE1-CD1 3.41Å; F1028-I1032 VanDerWaalsContact CE1-CD1 3.41Å; F1028-I1032 HydrophobicContact CE2-CD1 4.06Å; F1028-I1032 HydrophobicContact CG-CD1 4.47Å; F1028-I1032 HydrophobicContact CZ-CD1 3.47Å; F1028-I1032 VanDerWaalsContact CZ-CD1 3.47Å; I1029-I1032 CarbonylContact O-C 3.57Å; I1029-I1032 PolarHBondContact O-N 3.11Å; I1032-L1050 HydrophobicContact CD1-CB 3.97Å; I1032-L1050 HydrophobicContact CG1-CB 3.92Å; I1032-L1050 HydrophobicContact CG1-CD1 4.18Å; I1032-L1051 HydrophobicContact CG2-CD2 3.86Å; I1032-L1051 HydrophobicContact CG2-CG 4.46Å; I1032-T1113 HydrophobicContact CG2-CG2 3.94Å; I1032-H1117 PolarHBondContact O-CE1 2.67Å; I1032-H1117 PolarHBondContact O-NE2 2.97Å |
| 1033 | E | 74.6 | Confident | 64 | Low | 94 Ų | 94 | 63 Ų | 63 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -62 | 124.1 | 178.5 | -173.9 | 164.6 | -160.3 | 0 | 0 | 111.2 | I1029 T1113 R1116 | I1029-E1033 PolarHBondContact O-N 3.39Å; E1033-T1113 HydrophobicContact CB-CG2 4.44Å; E1033-R1116 IonicContact OE1-CZ 2.7Å; E1033-R1116 IonicContact OE1-NH1 2.73Å; E1033-R1116 PolarHBondContact OE1-NH1 3.44Å |
| 1034 | P | 62.3 | Low | 63.7 | Low | 50 Ų | 50 | 63 Ų | 63 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -65 | 129.8 | 178.6 | 25.9 | -33.9 | 0 | 0 | 0 | 110.3 | R1116 | P1034-R1116 HydrophobicContact CG-CB 4.31Š|
| 1035 | P | 57.3 | Low | 63.4 | Low | 72 Ų | 72 | 64.6 Ų | 64.6 | 47% | 0.468 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.3 | -177.4 | 26 | -33.6 | 0 | 0 | 0 | 111.4 | S1037 A1040 | P1035-S1037 PolarHBondContact O-N 3.31Å; P1035-A1040 HydrophobicContact CG-CB 3.33Å |
| 1036 | A | 50 | Low | 63.3 | Low | 120 Ų | 120 | 63.8 Ų | 63.8 | 99% | 0.992 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -70.6 | 8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1037 | S | 40.8 | Very low | 63.5 | Low | 84 Ų | 84 | 60.5 Ų | 60.5 | 59% | 0.587 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -133.1 | 129.2 | 176 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | P1035 L1039 | P1035-S1037 PolarHBondContact O-N 3.31Å; S1037-L1039 VanDerWaalsContact C-N 3.25Å; S1037-L1039 PolarHBondContact O-N 3.21Å |
| 1038 | G | 38.4 | Very low | 63.4 | Low | 91 Ų | 91 | 58.5 Ų | 58.5 | 94% | 0.938 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -75.8 | 49.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1039 | L | 31.8 | Very low | 63.1 | Low | 159 Ų | 159 | 59.5 Ų | 59.5 | 83% | 0.832 | 38% | 0.384 | S | S | * | . | trans | -118.3 | 5.8 | -179.7 | -86.7 | 158.7 | 0 | 0 | 0 | 113.8 | S1037 C1041 | S1037-L1039 VanDerWaalsContact C-N 3.25Å; S1037-L1039 PolarHBondContact O-N 3.21Å; L1039-C1041 VanDerWaalsContact C-N 3.34Å; L1039-C1041 PolarHBondContact O-N 3.12Å; L1039-C1041 VanDerWaalsContact O-N 3.12Å | ||
| 1040 | A | 36.8 | Very low | 63.2 | Low | 45 Ų | 45 | 59.2 Ų | 59.2 | 37% | 0.372 | 38% | 0.382 | S | S | . | . | trans | -89.1 | 39.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116 | P1035 Q1042 | P1035-A1040 HydrophobicContact CG-CB 3.33Å; A1040-Q1042 PolarHBondContact O-N 3.47Å | ||
| 1041 | C | 41 | Very low | 63.5 | Low | 82 Ų | 82 | 56.6 Ų | 56.6 | 55% | 0.554 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8 | -180 | -157.3 | 0 | 0 | 0 | 0 | 114.2 | L1039 | L1039-C1041 VanDerWaalsContact C-N 3.34Å; L1039-C1041 PolarHBondContact O-N 3.12Å; L1039-C1041 VanDerWaalsContact O-N 3.12Å |
| 1042 | Q | 49.3 | Very low | 63.5 | Low | 125 Ų | 125 | 55.3 Ų | 55.3 | 58% | 0.584 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 1.1 | -169.8 | -65.6 | 177 | -25.9 | 0 | 0 | 115.5 | Q994 A1040 | Q994-Q1042 PolarHBondContact NE2-O 3.47Å; A1040-Q1042 PolarHBondContact O-N 3.47Å |
| 1043 | Q | 64.9 | Low | 63.5 | Low | 83 Ų | 83 | 55.2 Ų | 55.2 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | trans | -125.5 | 6.7 | -172.4 | -69.1 | -171.1 | -17.6 | 0 | 0 | 115.7 | D1045 L1046 V1047 | Q1043-D1045 VanDerWaalsContact C-N 3.3Å; Q1043-D1045 PolarHBondContact O-N 3.16Å; Q1043-L1046 PolarHBondContact O-N 3.16Å; Q1043-V1047 WeakPolarHBondContact O-CG2 3.49Å; Q1043-V1047 PolarHBondContact O-N 3.24Å | ||
| 1044 | T | 71.6 | Confident | 64 | Low | 42 Ų | 42 | 50.7 Ų | 50.7 | 26% | 0.258 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -48.6 | -49.3 | -179.4 | 43.9 | 0 | 0 | 0 | 0 | 112.9 | L1046 V1047 A1048 | T1044-L1046 VanDerWaalsContact C-N 3.33Å; T1044-L1046 PolarHBondContact O-N 3.47Å; T1044-V1047 PolarHBondContact O-N 3.32Å; T1044-A1048 VanDerWaalsContact O-CB 3.32Å; T1044-A1048 WeakPolarHBondContact O-CB 3.38Å; T1044-A1048 PolarHBondContact O-N 3.33Å |
| 1045 | D | 71.7 | Confident | 64.8 | Low | 60 Ų | 60 | 48.6 Ų | 48.6 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -82.2 | -17.6 | -169.3 | -33.1 | -25.7 | 0 | 0 | 0 | 112.2 | L998 Q1043 R1049 | L998-D1045 HydrophobicContact CD2-CB 4.21Å; Q1043-D1045 VanDerWaalsContact C-N 3.3Å; Q1043-D1045 PolarHBondContact O-N 3.16Å; D1045-R1049 VanDerWaalsContact O-CG 3.25Å; D1045-R1049 WeakPolarHBondContact O-CG 3.49Å; D1045-R1049 PolarHBondContact O-N 3.2Å; D1045-R1049 PolarHBondContact O-NH1 3.47Å |
| 1046 | L | 77.4 | Confident | 65.6 | Low | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.1 | -51.9 | 169 | 178.6 | 57 | 0 | 0 | 0 | 109.3 | I979 T997 L998 A1001 Q1043 T1044 A1048 R1049 L1050 | I979-L1046 HydrophobicContact CG2-CD1 4.48Å; T997-L1046 HydrophobicContact CG2-CD1 3.91Å; T997-L1046 HydrophobicContact CG2-CD2 3.89Å; L998-L1046 HydrophobicContact CD2-CB 3.88Å; A1001-L1046 HydrophobicContact CB-CD1 3.68Å; Q1043-L1046 PolarHBondContact O-N 3.16Å; T1044-L1046 VanDerWaalsContact C-N 3.33Å; T1044-L1046 PolarHBondContact O-N 3.47Å; L1046-A1048 VanDerWaalsContact C-N 3.27Å; L1046-A1048 PolarHBondContact O-N 2.96Å; L1046-R1049 PolarHBondContact O-N 3.47Å; L1046-R1049 VanDerWaalsContact O-N 3.09Å; L1046-L1050 HydrophobicContact CD1-CD1 4.07Å; L1046-L1050 HydrophobicContact CD1-CG 4.14Å; L1046-L1050 HydrophobicContact CG-CD1 4Å; L1046-L1050 HydrophobicContact CG-CG 4.45Å; L1046-L1050 WeakPolarHBondContact O-CG 3.44Å; L1046-L1050 PolarHBondContact O-N 3.04Å |
| 1047 | V | 81.7 | Confident | 66.7 | Low | 16 Ų | 16 | 39.7 Ų | 39.7 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 176 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | Q1043 T1044 R1049 L1050 L1051 I1125 | Q1043-V1047 WeakPolarHBondContact O-CG2 3.49Å; Q1043-V1047 PolarHBondContact O-N 3.24Å; T1044-V1047 PolarHBondContact O-N 3.32Å; V1047-R1049 PolarHBondContact O-N 2.97Å; V1047-L1050 PolarHBondContact O-N 2.95Å; V1047-L1051 HydrophobicContact CG1-CD1 3.93Å; V1047-L1051 HydrophobicContact CG1-CG 4.24Å; V1047-L1051 WeakPolarHBondContact O-CB 3.01Å; V1047-L1051 WeakPolarHBondContact O-CG 3.08Å; V1047-L1051 PolarHBondContact O-N 2.87Å; V1047-I1125 HydrophobicContact CB-CD1 4.37Å; V1047-I1125 HydrophobicContact CG1-CD1 4.18Å |
| 1048 | A | 77.6 | Confident | 68.5 | Low | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1044 L1046 S1052 M1124 I1125 K1128 | T1044-A1048 VanDerWaalsContact O-CB 3.32Å; T1044-A1048 WeakPolarHBondContact O-CB 3.38Å; T1044-A1048 PolarHBondContact O-N 3.33Å; L1046-A1048 VanDerWaalsContact C-N 3.27Å; L1046-A1048 PolarHBondContact O-N 2.96Å; A1048-S1052 PolarHBondContact O-OG 3.47Å; A1048-M1124 HydrophobicContact CB-CG 4.13Å; A1048-I1125 HydrophobicContact CB-CG1 4.28Å; A1048-K1128 WeakPolarHBondContact O-CD 3.47Å; A1048-K1128 PolarHBondContact O-NZ 3.38Å |
| 1049 | R | 77.6 | Confident | 70.1 | Confident | 23 Ų | 23 | 31.4 Ų | 31.4 | 9% | 0.087 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.1 | -39.9 | 172.5 | -74.1 | 171.8 | 178.9 | 88.1 | -7.9 | 111.5 | D550 L998 A1001 D1045 L1046 V1047 S1052 T1053 | D550-R1049 IonicContact OD2-NH2 3.31Å; L998-R1049 VanDerWaalsContact O-CD 3.27Å; L998-R1049 WeakPolarHBondContact O-CD 3.47Å; L998-R1049 PolarHBondContact O-NE 3.07Å; A1001-R1049 HydrophobicContact CB-CB 3.86Å; D1045-R1049 VanDerWaalsContact O-CG 3.25Å; D1045-R1049 WeakPolarHBondContact O-CG 3.49Å; D1045-R1049 PolarHBondContact O-N 3.2Å; D1045-R1049 PolarHBondContact O-NH1 3.47Å; L1046-R1049 PolarHBondContact O-N 3.47Å; L1046-R1049 VanDerWaalsContact O-N 3.09Å; V1047-R1049 PolarHBondContact O-N 2.97Å; R1049-S1052 WeakPolarHBondContact O-CA 3.28Å; R1049-S1052 WeakPolarHBondContact O-CB 3.19Å; R1049-S1052 PolarHBondContact O-N 3.19Å; R1049-T1053 PolarHBondContact O-N 3.16Å; R1049-T1053 VanDerWaalsContact O-N 3.11Å |
| 1050 | L | 84.7 | Confident | 71.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.7 | -35.8 | 179.3 | -67.8 | 178.2 | 0 | 0 | 0 | 114.1 | W975 F1028 L1031 I1032 L1046 V1047 S1052 T1053 A1054 | W975-L1050 HydrophobicContact CH2-CD2 4.29Å; W975-L1050 HydrophobicContact CZ3-CD2 3.67Å; F1028-L1050 HydrophobicContact CE2-CD2 4.43Å; L1031-L1050 HydrophobicContact CB-CD1 4.34Å; L1031-L1050 HydrophobicContact CD2-CD1 3.7Å; L1031-L1050 HydrophobicContact CG-CD1 3.75Å; I1032-L1050 HydrophobicContact CD1-CB 3.97Å; I1032-L1050 HydrophobicContact CG1-CB 3.92Å; I1032-L1050 HydrophobicContact CG1-CD1 4.18Å; L1046-L1050 HydrophobicContact CD1-CD1 4.07Å; L1046-L1050 HydrophobicContact CD1-CG 4.14Å; L1046-L1050 HydrophobicContact CG-CD1 4Å; L1046-L1050 HydrophobicContact CG-CG 4.45Å; L1046-L1050 WeakPolarHBondContact O-CG 3.44Å; L1046-L1050 PolarHBondContact O-N 3.04Å; V1047-L1050 PolarHBondContact O-N 2.95Å; L1050-S1052 PolarHBondContact O-N 2.82Å; L1050-T1053 PolarHBondContact O-N 3.01Å; L1050-T1053 PolarHBondContact O-OG1 3Å; L1050-A1054 PolarHBondContact O-N 3.32Å; L1050-A1054 VanDerWaalsContact O-N 3.14Å |
| 1051 | L | 84.9 | Confident | 73 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -20.3 | 169.5 | -70.1 | 171.5 | 0 | 0 | 0 | 111.8 | I1032 V1047 A1055 I1114 I1125 K1128 L1132 | I1032-L1051 HydrophobicContact CG2-CD2 3.86Å; I1032-L1051 HydrophobicContact CG2-CG 4.46Å; V1047-L1051 HydrophobicContact CG1-CD1 3.93Å; V1047-L1051 HydrophobicContact CG1-CG 4.24Å; V1047-L1051 WeakPolarHBondContact O-CB 3.01Å; V1047-L1051 WeakPolarHBondContact O-CG 3.08Å; V1047-L1051 PolarHBondContact O-N 2.87Å; L1051-A1055 VanDerWaalsContact O-CB 3.31Å; L1051-A1055 WeakPolarHBondContact O-CB 3.35Å; L1051-A1055 PolarHBondContact O-N 3.43Å; L1051-I1114 HydrophobicContact CD2-CD1 3.54Å; L1051-I1125 HydrophobicContact CD1-CB 4.47Å; L1051-I1125 HydrophobicContact CD1-CG2 3.83Å; L1051-K1128 HydrophobicContact CB-CB 3.87Å; L1051-K1128 HydrophobicContact CB-CD 4.34Å; L1051-K1128 HydrophobicContact CD1-CB 4.45Å; L1051-L1132 HydrophobicContact CD2-CD1 3.98Å |
| 1052 | S | 78.4 | Confident | 73.9 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -85 | -34.1 | 176.5 | -44.6 | 0 | 0 | 0 | 0 | 113.1 | P546 A1048 R1049 L1050 A1054 A1055 A1056 K1128 | P546-S1052 WeakPolarHBondContact O-CB 3.42Å; P546-S1052 PolarHBondContact O-OG 2.75Å; A1048-S1052 PolarHBondContact O-OG 3.47Å; R1049-S1052 WeakPolarHBondContact O-CA 3.28Å; R1049-S1052 WeakPolarHBondContact O-CB 3.19Å; R1049-S1052 PolarHBondContact O-N 3.19Å; L1050-S1052 PolarHBondContact O-N 2.82Å; S1052-A1054 VanDerWaalsContact C-N 3.3Å; S1052-A1055 PolarHBondContact O-N 3.35Å; S1052-A1056 WeakPolarHBondContact O-CB 3.05Å; S1052-A1056 PolarHBondContact O-N 3.01Å; S1052-K1128 VanDerWaalsContact OG-CD 3.28Å; S1052-K1128 WeakPolarHBondContact OG-CD 3.43Å; S1052-K1128 WeakPolarHBondContact OG-CE 3.38Å; S1052-K1128 PolarHBondContact OG-NZ 2.91Å |
| 1053 | T | 81 | Confident | 74.4 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 170.1 | 64.1 | 0 | 0 | 0 | 0 | 110 | L1004 A1005 I1008 F1028 R1049 L1050 G1057 | L1004-T1053 HydrophobicContact CB-CG2 4.4Å; L1004-T1053 HydrophobicContact CD2-CG2 4.15Å; L1004-T1053 HydrophobicContact CG-CG2 3.89Å; A1005-T1053 HydrophobicContact CB-CG2 3.81Å; I1008-T1053 HydrophobicContact CD1-CG2 4.17Å; F1028-T1053 WeakPolarHBondContact CE2-OG1 3.46Å; R1049-T1053 PolarHBondContact O-N 3.16Å; R1049-T1053 VanDerWaalsContact O-N 3.11Å; L1050-T1053 PolarHBondContact O-N 3.01Å; L1050-T1053 PolarHBondContact O-OG1 3Å; T1053-G1057 PolarHBondContact O-N 3.04Å |
| 1054 | A | 84.3 | Confident | 73.5 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1015 F1028 L1050 S1052 G1057 L1058 L1132 | F1015-A1054 HydrophobicContact CZ-CB 4.42Å; F1028-A1054 HydrophobicContact CE1-CB 4.09Å; F1028-A1054 HydrophobicContact CZ-CB 4Å; L1050-A1054 PolarHBondContact O-N 3.32Å; L1050-A1054 VanDerWaalsContact O-N 3.14Å; S1052-A1054 VanDerWaalsContact C-N 3.3Å; A1054-G1057 PolarHBondContact O-N 3.44Å; A1054-L1058 VanDerWaalsContact O-CB 3.26Å; A1054-L1058 WeakPolarHBondContact O-CB 3.32Å; A1054-L1058 WeakPolarHBondContact O-CG 3.25Å; A1054-L1058 PolarHBondContact O-N 3.21Å; A1054-L1132 HydrophobicContact CB-CD1 4.15Å; A1054-L1132 HydrophobicContact CB-CD2 4.37Å |
| 1055 | A | 78.8 | Confident | 72.1 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 5% | 0.05 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.9 | -51.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1051 S1052 G1057 L1059 | L1051-A1055 VanDerWaalsContact O-CB 3.31Å; L1051-A1055 WeakPolarHBondContact O-CB 3.35Å; L1051-A1055 PolarHBondContact O-N 3.43Å; S1052-A1055 PolarHBondContact O-N 3.35Å; A1055-G1057 PolarHBondContact O-N 2.98Å; A1055-L1059 HydrophobicContact CB-CD1 3.87Å; A1055-L1059 WeakPolarHBondContact O-CB 3.3Å; A1055-L1059 WeakPolarHBondContact O-CG 3.18Å; A1055-L1059 PolarHBondContact O-N 2.86Å |
| 1056 | A | 74.5 | Confident | 70.5 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1008 R1009 S1052 I1060 | I1008-A1056 HydrophobicContact CG2-CB 4Å; R1009-A1056 HydrophobicContact CB-CB 4.31Å; S1052-A1056 WeakPolarHBondContact O-CB 3.05Å; S1052-A1056 PolarHBondContact O-N 3.01Å; A1056-I1060 HydrophobicContact CB-CD1 4.09Å; A1056-I1060 WeakPolarHBondContact O-CB 3.41Å; A1056-I1060 WeakPolarHBondContact O-CD1 3.23Å; A1056-I1060 WeakPolarHBondContact O-CG1 3.39Å |
| 1057 | G | 73.8 | Confident | 68.1 | Low | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.3 | -29.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T1053 A1054 A1055 | T1053-G1057 PolarHBondContact O-N 3.04Å; A1054-G1057 PolarHBondContact O-N 3.44Å; A1055-G1057 PolarHBondContact O-N 2.98Å |
| 1058 | L | 79.5 | Confident | 65.4 | Low | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -98.1 | -40.1 | -178.7 | -66.6 | 172.1 | 0 | 0 | 0 | 113.1 | F1015 A1054 L1062 C1101 L1104 L1105 F1110 L1132 | F1015-L1058 HydrophobicContact CD1-CD2 4.32Å; F1015-L1058 HydrophobicContact CD1-CG 4.38Å; F1015-L1058 HydrophobicContact CE1-CD1 4.38Å; F1015-L1058 HydrophobicContact CE1-CD2 3.83Å; F1015-L1058 HydrophobicContact CE1-CG 3.81Å; F1015-L1058 HydrophobicContact CZ-CG 4.48Å; A1054-L1058 VanDerWaalsContact O-CB 3.26Å; A1054-L1058 WeakPolarHBondContact O-CB 3.32Å; A1054-L1058 WeakPolarHBondContact O-CG 3.25Å; A1054-L1058 PolarHBondContact O-N 3.21Å; L1058-L1062 WeakPolarHBondContact O-CD1 3.48Å; L1058-L1062 VanDerWaalsContact O-CG 3.3Å; L1058-L1062 WeakPolarHBondContact O-CG 3.34Å; L1058-C1101 HydrophobicContact CD2-CB 4.04Å; L1058-L1104 HydrophobicContact CD1-CD2 4.36Å; L1058-L1104 HydrophobicContact CD2-CD2 4.34Å; L1058-L1105 HydrophobicContact CD1-CD2 4.16Å; L1058-L1105 HydrophobicContact CD2-CD1 4.45Å; L1058-L1105 HydrophobicContact CD2-CG 4.28Å; L1058-F1110 HydrophobicContact CD1-CE1 3.88Å; L1058-F1110 HydrophobicContact CD1-CZ 3.72Å; L1058-L1132 HydrophobicContact CD1-CD2 4.19Å |
| 1059 | L | 71.8 | Confident | 63.1 | Low | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -85.9 | -41.2 | -167.4 | -56 | 175.3 | 0 | 0 | 0 | 112.7 | L543 A1055 L1062 F1063 L1131 L1132 A1135 | L543-L1059 HydrophobicContact CD1-CB 4.19Å; L543-L1059 HydrophobicContact CD2-CB 3.92Å; L543-L1059 HydrophobicContact CD2-CD1 3.86Å; A1055-L1059 HydrophobicContact CB-CD1 3.87Å; A1055-L1059 WeakPolarHBondContact O-CB 3.3Å; A1055-L1059 WeakPolarHBondContact O-CG 3.18Å; A1055-L1059 PolarHBondContact O-N 2.86Å; L1059-L1062 PolarHBondContact O-N 3.43Å; L1059-F1063 HydrophobicContact CB-CD2 4Å; L1059-F1063 HydrophobicContact CB-CE2 3.97Å; L1059-F1063 HydrophobicContact CD2-CE2 4.23Å; L1059-F1063 VanDerWaalsContact O-CD2 3.26Å; L1059-F1063 WeakPolarHBondContact O-CD2 3.46Å; L1059-F1063 PolarHBondContact O-N 3.38Å; L1059-L1131 HydrophobicContact CD1-CD2 3.68Å; L1059-L1131 HydrophobicContact CD1-CG 3.61Å; L1059-L1132 HydrophobicContact CD1-CD2 4.49Å; L1059-L1132 HydrophobicContact CG-CD2 4.49Å; L1059-A1135 HydrophobicContact CD2-CB 3.2Å |
| 1060 | I | 67.9 | Low | 60.6 | Low | 31 Ų | 31 | 40.3 Ų | 40.3 | 16% | 0.159 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | -179.6 | -57 | 170.8 | 0 | 0 | 0 | 110.9 | L543 R1009 P1012 A1056 L1062 F1063 M1064 | L543-I1060 HydrophobicContact CD1-CG1 4.1Å; L543-I1060 HydrophobicContact CD2-CG1 4.45Å; R1009-I1060 HydrophobicContact CG-CD1 4.15Å; P1012-I1060 HydrophobicContact CB-CB 4.43Å; P1012-I1060 HydrophobicContact CG-CB 3.83Å; P1012-I1060 HydrophobicContact CG-CD1 4.08Å; P1012-I1060 HydrophobicContact CG-CG2 3.81Å; A1056-I1060 HydrophobicContact CB-CD1 4.09Å; A1056-I1060 WeakPolarHBondContact O-CB 3.41Å; A1056-I1060 WeakPolarHBondContact O-CD1 3.23Å; A1056-I1060 WeakPolarHBondContact O-CG1 3.39Å; I1060-L1062 VanDerWaalsContact C-N 3.25Å; I1060-L1062 PolarHBondContact O-N 3.34Å; I1060-F1063 PolarHBondContact O-N 2.9Å; I1060-M1064 HydrophobicContact CG2-CG 3.99Å; I1060-M1064 HydrophobicContact CG2-SD 4.22Å; I1060-M1064 WeakPolarHBondContact O-CB 3.33Å; I1060-M1064 WeakPolarHBondContact O-CG 3.46Å; I1060-M1064 PolarHBondContact O-N 3.26Å; I1060-M1064 VanDerWaalsContact O-N 3.11Å |
| 1061 | P | 61.5 | Low | 57.9 | Low | 24 Ų | 24 | 47.4 Ų | 47.4 | 16% | 0.156 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -19.8 | 174.5 | -23.9 | 36.5 | 0 | 0 | 0 | 115.7 | P1012 | P1012-P1061 HydrophobicContact CB-CG 3.64Å |
| 1062 | L | 59.2 | Low | 55.1 | Low | 43 Ų | 43 | 52.8 Ų | 52.8 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -85 | -48.1 | 176.2 | -70.9 | 172.1 | 0 | 0 | 0 | 111.1 | L1058 L1059 I1060 T1097 L1105 A1135 | L1058-L1062 WeakPolarHBondContact O-CD1 3.48Å; L1058-L1062 VanDerWaalsContact O-CG 3.3Å; L1058-L1062 WeakPolarHBondContact O-CG 3.34Å; L1059-L1062 PolarHBondContact O-N 3.43Å; I1060-L1062 VanDerWaalsContact C-N 3.25Å; I1060-L1062 PolarHBondContact O-N 3.34Å; L1062-T1097 HydrophobicContact CD2-CG2 3.95Å; L1062-L1105 HydrophobicContact CD1-CD1 3.91Å; L1062-A1135 HydrophobicContact CD1-CB 4.14Å |
| 1063 | F | 58.8 | Low | 52.5 | Low | 30 Ų | 30 | 62 Ų | 62 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -74.8 | -40.7 | -174.8 | -71.9 | -62.1 | 0 | 0 | 0 | 113.6 | H536 A539 L543 L1059 I1060 K1065 R1066 | H536-F1063 PolarHBondContact CE1-O 2.94Å; A539-F1063 HydrophobicContact CB-CD1 3.8Å; A539-F1063 HydrophobicContact CB-CD2 3.98Å; A539-F1063 HydrophobicContact CB-CE1 3.65Å; A539-F1063 HydrophobicContact CB-CE2 3.83Å; A539-F1063 HydrophobicContact CB-CG 3.98Å; A539-F1063 HydrophobicContact CB-CZ 3.67Å; L543-F1063 HydrophobicContact CD1-CD2 4.03Å; L1059-F1063 HydrophobicContact CB-CD2 4Å; L1059-F1063 HydrophobicContact CB-CE2 3.97Å; L1059-F1063 HydrophobicContact CD2-CE2 4.23Å; L1059-F1063 VanDerWaalsContact O-CD2 3.26Å; L1059-F1063 WeakPolarHBondContact O-CD2 3.46Å; L1059-F1063 PolarHBondContact O-N 3.38Å; I1060-F1063 PolarHBondContact O-N 2.9Å; F1063-K1065 PolarHBondContact O-N 3.14Å; F1063-R1066 PolarHBondContact O-N 3.09Å |
| 1064 | M | 47.6 | Very low | 50 | Low | 90 Ų | 90 | 67.9 Ų | 67.9 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -63.7 | -16.1 | 178.1 | -64.2 | -141.9 | 83.6 | 0 | 0 | 113.1 | I1060 R1066 S1067 | I1060-M1064 HydrophobicContact CG2-CG 3.99Å; I1060-M1064 HydrophobicContact CG2-SD 4.22Å; I1060-M1064 WeakPolarHBondContact O-CB 3.33Å; I1060-M1064 WeakPolarHBondContact O-CG 3.46Å; I1060-M1064 PolarHBondContact O-N 3.26Å; I1060-M1064 VanDerWaalsContact O-N 3.11Å; M1064-R1066 VanDerWaalsContact C-N 3.26Å; M1064-R1066 PolarHBondContact O-N 3.32Å; M1064-S1067 PolarHBondContact O-N 2.73Å; M1064-S1067 PolarHBondContact O-OG 2.85Å; M1064-S1067 VanDerWaalsContact O-OG 3.09Å |
| 1065 | K | 42.1 | Very low | 47.2 | Very low | 106 Ų | 106 | 77.2 Ų | 77.2 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -74.7 | -8.2 | -179.1 | -128.9 | -174.3 | -178.4 | -163.5 | 0 | 114.8 | F1063 A1095 T1097 | F1063-K1065 PolarHBondContact O-N 3.14Å; K1065-A1095 VanDerWaalsContact CE-O 3.31Å; K1065-A1095 WeakPolarHBondContact CE-O 3.37Å; K1065-A1095 PolarHBondContact NZ-O 3.47Å; K1065-T1097 WeakPolarHBondContact CD-OG1 3.27Å; K1065-T1097 PolarHBondContact NZ-OG1 3.03Å |
| 1066 | R | 36.6 | Very low | 44.5 | Very low | 172 Ų | 172 | 86.9 Ų | 86.9 | 65% | 0.649 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -88.2 | -7.8 | 172.5 | -77.4 | -173.8 | 173.6 | 177.1 | -0.5 | 113.5 | F1063 M1064 D1215 | F1063-R1066 PolarHBondContact O-N 3.09Å; M1064-R1066 VanDerWaalsContact C-N 3.26Å; M1064-R1066 PolarHBondContact O-N 3.32Å; R1066-D1215 IonicContact NH1-OD2 3.93Å; R1066-D1215 IonicContact NH2-OD2 3.93Å; R1066-D1215 PolarHBondContact NH2-OD2 3.35Å |
| 1067 | S | 28.5 | Very low | 42.2 | Very low | 28 Ų | 28 | 91.4 Ų | 91.4 | 20% | 0.196 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -115.8 | 122.5 | 176.3 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | M1064 V1069 | M1064-S1067 PolarHBondContact O-N 2.73Å; M1064-S1067 PolarHBondContact O-OG 2.85Å; M1064-S1067 VanDerWaalsContact O-OG 3.09Å; S1067-V1069 PolarHBondContact O-N 3.29Å |
| 1068 | S | 24.7 | Very low | 39.9 | Very low | 108 Ų | 108 | 98.8 Ų | 98.8 | 76% | 0.755 | 51% | 0.51 | S | S | * | . | trans | -80 | 62.9 | -178 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1069 | V | 28.5 | Very low | 37.3 | Very low | 84 Ų | 84 | 104.1 Ų | 104.1 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | trans | -106.5 | 113.2 | 173.2 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | V588 S1067 L1071 | V588-V1069 HydrophobicContact CG1-CG2 4.46Å; S1067-V1069 PolarHBondContact O-N 3.29Å; V1069-L1071 PolarHBondContact O-N 3.14Å | ||
| 1070 | T | 26.4 | Very low | 35.2 | Very low | 119 Ų | 119 | 108.7 Ų | 108.7 | 73% | 0.73 | 59% | 0.585 | S | S | * | * | trans | -74.2 | 122.1 | 170 | 49 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1071 | L | 26.8 | Very low | 33.2 | Very low | 149 Ų | 149 | 112.8 Ų | 112.8 | 78% | 0.78 | 62% | 0.617 | S | S | * | * | trans | -50.6 | 143.2 | 160.8 | -91.5 | 79 | 0 | 0 | 0 | 109.3 | V1069 K1073 | V1069-L1071 PolarHBondContact O-N 3.14Å; L1071-K1073 PolarHBondContact O-N 2.75Å | ||
| 1072 | P | 25.9 | Very low | 31.6 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | -54.9 | 114.3 | 173.2 | -24.4 | 34.1 | 0 | 0 | 0 | 110.2 | V1074 | P1072-V1074 VanDerWaalsContact C-N 3.3Å; P1072-V1074 PolarHBondContact O-N 2.94Å | ||
| 1073 | K | 24.8 | Very low | 29.9 | Very low | 195 Ų | 195 | 124.3 Ų | 124.3 | 85% | 0.848 | 68% | 0.676 | S | S | * | * | trans | -66.9 | 95.3 | 167.2 | -74.7 | -179 | 179.6 | 174.2 | 0 | 107.4 | L1071 K1075 | L1071-K1073 PolarHBondContact O-N 2.75Å; K1073-K1075 PolarHBondContact O-N 3.35Å | ||
| 1074 | V | 28.7 | Very low | 28.3 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -50.8 | 107.9 | 169.3 | 178.1 | 0 | 0 | 0 | 0 | 107.3 | P1072 R1076 | P1072-V1074 VanDerWaalsContact C-N 3.3Å; P1072-V1074 PolarHBondContact O-N 2.94Å; V1074-R1076 PolarHBondContact O-N 2.85Å | ||
| 1075 | K | 23.9 | Very low | 27.3 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | trans | -67.3 | 105.8 | -178 | -82.9 | -175.9 | 176.6 | 176.7 | 0 | 107.5 | K1073 A1077 | K1073-K1075 PolarHBondContact O-N 3.35Å; K1075-A1077 VanDerWaalsContact C-N 3.25Å; K1075-A1077 PolarHBondContact O-N 3.35Å | ||
| 1076 | R | 23.8 | Very low | 26.5 | Very low | 209 Ų | 209 | 137.5 Ų | 137.5 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | trans | -66.3 | 81.3 | 179.2 | -167.5 | -177.6 | -163 | 161.4 | 7.9 | 110.4 | V1074 Q1078 | V1074-R1076 PolarHBondContact O-N 2.85Å; R1076-Q1078 VanDerWaalsContact C-N 3.3Å; R1076-Q1078 HydrophobicContact CG-CG 4.23Å; R1076-Q1078 PolarHBondContact O-N 3.35Å | ||
| 1077 | A | 25.7 | Very low | 26 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -72.1 | 83.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | K1075 | K1075-A1077 VanDerWaalsContact C-N 3.25Å; K1075-A1077 PolarHBondContact O-N 3.35Å | ||
| 1078 | Q | 25.6 | Very low | 25.8 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -105.1 | 106.3 | 168.3 | -76.6 | -175.3 | -55.1 | 0 | 0 | 109.5 | R1076 | R1076-Q1078 VanDerWaalsContact C-N 3.3Å; R1076-Q1078 HydrophobicContact CG-CG 4.23Å; R1076-Q1078 PolarHBondContact O-N 3.35Å | ||
| 1079 | S | 24.9 | Very low | 25.9 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -116.1 | 156.3 | 166.1 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1080 | A | 28 | Very low | 25.7 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 71.8 | 99.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1081 | S | 25.1 | Very low | 25.6 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -12 | 146.2 | 148.2 | 51 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1082 | S | 27.5 | Very low | 25.7 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | -158.8 | 148.1 | 54.5 | 57.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1083 | K | 24.3 | Very low | 25.6 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -10.6 | 118.6 | 160.1 | -56.6 | 168.6 | -177.5 | 173.5 | 0 | 118.1 | ||||
| 1084 | L | 25.5 | Very low | 25.6 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | 172.1 | 151.4 | 131.8 | -114.1 | 72 | 0 | 0 | 0 | 108.2 | ||||
| 1085 | S | 27.2 | Very low | 25.8 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | cis | -166.5 | 110.6 | -41.1 | 48.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1086 | R | 23.6 | Very low | 26.3 | Very low | 244 Ų | 244 | 129.9 Ų | 129.9 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | 44.7 | 105.1 | 159.1 | -64.3 | 177.8 | 173.4 | 167.6 | -3.3 | 120.1 | ||||
| 1087 | T | 26.8 | Very low | 27.4 | Very low | 156 Ų | 156 | 121.4 Ų | 121.4 | 96% | 0.957 | 78% | 0.776 | S | S | * | * | -146.2 | 154.2 | 120.8 | 31.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1088 | S | 23.8 | Very low | 28.9 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -105 | 137.8 | -165.8 | 61 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1089 | V | 27.9 | Very low | 30.6 | Very low | 146 Ų | 146 | 113.7 Ų | 113.7 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | trans | -140.9 | 137.8 | 132.2 | -177 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1090 | N | 23.7 | Very low | 32.6 | Very low | 133 Ų | 133 | 109.1 Ų | 109.1 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | trans | -96.1 | 161.8 | -177 | -68.9 | -29.3 | 0 | 0 | 0 | 112.8 | ||||
| 1091 | N | 24.7 | Very low | 34.5 | Very low | 164 Ų | 164 | 104.6 Ų | 104.6 | 88% | 0.877 | 67% | 0.668 | S | S | * | * | trans | 58.7 | 92.8 | 158.9 | -62.2 | -7.8 | 0 | 0 | 0 | 118.1 | ||||
| 1092 | A | 27.5 | Very low | 36.6 | Very low | 114 Ų | 114 | 104.3 Ų | 104.3 | 94% | 0.942 | 65% | 0.652 | S | S | * | * | trans | -124.6 | 94.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1093 | G | 24.5 | Very low | 38.7 | Very low | 81 Ų | 81 | 107.5 Ų | 107.5 | 84% | 0.835 | 65% | 0.648 | S | S | * | * | trans | -160.6 | 132.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1094 | G | 25.7 | Very low | 41.3 | Very low | 74 Ų | 74 | 98.4 Ų | 98.4 | 76% | 0.763 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 96.8 | 108.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | G1096 | G1094-G1096 VanDerWaalsContact C-N 3.27Å; G1094-G1096 PolarHBondContact O-N 3.16Å |
| 1095 | A | 31.3 | Very low | 43.8 | Very low | 94 Ų | 94 | 90.6 Ų | 90.6 | 78% | 0.777 | 57% | 0.567 | S | S | * | * | trans | 47.6 | 19.2 | 137.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | K1065 | K1065-A1095 VanDerWaalsContact CE-O 3.31Å; K1065-A1095 WeakPolarHBondContact CE-O 3.37Å; K1065-A1095 PolarHBondContact NZ-O 3.47Å | ||
| 1096 | G | 34.4 | Very low | 46.1 | Very low | 59 Ų | 59 | 89.8 Ų | 89.8 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 142.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1094 | G1094-G1096 VanDerWaalsContact C-N 3.27Å; G1094-G1096 PolarHBondContact O-N 3.16Å |
| 1097 | T | 48.2 | Very low | 48.9 | Very low | 31 Ų | 31 | 80.5 Ų | 80.5 | 19% | 0.19 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 131.8 | 153.7 | -44.1 | 0 | 0 | 0 | 0 | 105.1 | L1062 K1065 A1099 | L1062-T1097 HydrophobicContact CD2-CG2 3.95Å; K1065-T1097 WeakPolarHBondContact CD-OG1 3.27Å; K1065-T1097 PolarHBondContact NZ-OG1 3.03Å; T1097-A1099 PolarHBondContact O-N 3.32Å; T1097-A1099 VanDerWaalsContact O-N 3.16Å |
| 1098 | P | 56.4 | Low | 51.6 | Low | 31 Ų | 31 | 77.7 Ų | 77.7 | 20% | 0.201 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 127.2 | -173.7 | -25.9 | 33.4 | 0 | 0 | 0 | 110.8 | T1016 A1100 C1101 K1102 | T1016-P1098 HydrophobicContact CG2-CB 4.36Å; P1098-A1100 PolarHBondContact O-N 3.18Å; P1098-A1100 VanDerWaalsContact O-N 3.12Å; P1098-C1101 HydrophobicContact CB-CB 4.45Å; P1098-C1101 WeakPolarHBondContact O-CB 3.17Å; P1098-C1101 PolarHBondContact O-N 3.2Å; P1098-K1102 PolarHBondContact O-N 3.14Å |
| 1099 | A | 62.2 | Low | 54.5 | Low | 62 Ų | 62 | 79.6 Ų | 79.6 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.7 | -30 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1097 K1102 R1103 | T1097-A1099 PolarHBondContact O-N 3.32Å; T1097-A1099 VanDerWaalsContact O-N 3.16Å; A1099-K1102 PolarHBondContact O-N 2.97Å; A1099-R1103 WeakPolarHBondContact O-CB 3.31Å; A1099-R1103 VanDerWaalsContact O-CG 3.23Å; A1099-R1103 WeakPolarHBondContact O-CG 3.19Å; A1099-R1103 PolarHBondContact O-N 3.17Å |
| 1100 | A | 65.5 | Low | 57.3 | Low | 17 Ų | 17 | 72.7 Ų | 72.7 | 14% | 0.14 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1016 P1098 K1102 R1103 L1104 | T1016-A1100 HydrophobicContact CG2-CB 3.48Å; T1016-A1100 VanDerWaalsContact CG2-CB 3.48Å; P1098-A1100 PolarHBondContact O-N 3.18Å; P1098-A1100 VanDerWaalsContact O-N 3.12Å; A1100-K1102 PolarHBondContact O-N 3.32Å; A1100-R1103 PolarHBondContact O-N 2.88Å; A1100-L1104 PolarHBondContact O-N 3.11Å |
| 1101 | C | 68.4 | Low | 60.2 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.014 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 174.6 | -63.2 | 0 | 0 | 0 | 0 | 111.3 | T1016 L1058 P1098 L1104 L1105 | T1016-C1101 WeakPolarHBondContact CG2-SG 3.31Å; L1058-C1101 HydrophobicContact CD2-CB 4.04Å; P1098-C1101 HydrophobicContact CB-CB 4.45Å; P1098-C1101 WeakPolarHBondContact O-CB 3.17Å; P1098-C1101 PolarHBondContact O-N 3.2Å; C1101-L1104 PolarHBondContact O-N 2.98Å; C1101-L1105 WeakPolarHBondContact O-CB 3.33Å; C1101-L1105 WeakPolarHBondContact O-CG 3.5Å; C1101-L1105 PolarHBondContact O-N 2.81Å |
| 1102 | K | 68.4 | Low | 63.1 | Low | 110 Ų | 110 | 61 Ų | 61 | 48% | 0.478 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.3 | -75.4 | -160.6 | 167.4 | -157.9 | 0 | 112.2 | P1098 A1099 A1100 L1105 S1106 | P1098-K1102 PolarHBondContact O-N 3.14Å; A1099-K1102 PolarHBondContact O-N 2.97Å; A1100-K1102 PolarHBondContact O-N 3.32Å; K1102-L1105 PolarHBondContact O-N 2.87Å; K1102-S1106 PolarHBondContact O-N 2.85Å; K1102-S1106 PolarHBondContact O-OG 2.96Å |
| 1103 | R | 73 | Confident | 65.9 | Low | 178 Ų | 178 | 55.8 Ų | 55.8 | 67% | 0.672 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59 | -46.5 | 175.6 | -75.1 | 166.9 | -178.7 | 173.5 | -0.7 | 112.1 | A1099 A1100 S1106 E1107 | A1099-R1103 WeakPolarHBondContact O-CB 3.31Å; A1099-R1103 VanDerWaalsContact O-CG 3.23Å; A1099-R1103 WeakPolarHBondContact O-CG 3.19Å; A1099-R1103 PolarHBondContact O-N 3.17Å; A1100-R1103 PolarHBondContact O-N 2.88Å; R1103-S1106 WeakPolarHBondContact CA-OG 3.39Å; R1103-S1106 CarbonylContact O-C 3.54Å; R1103-S1106 PolarHBondContact O-N 3.2Å; R1103-S1106 PolarHBondContact O-OG 3.41Å; R1103-E1107 PolarHBondContact O-N 2.77Å; R1103-E1107 VanDerWaalsContact O-N 3.11Å |
| 1104 | L | 79.1 | Confident | 68.9 | Low | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 179.5 | -169 | 68.8 | 0 | 0 | 0 | 112.1 | F1015 I1020 I1029 L1058 A1100 C1101 S1106 E1107 F1110 | F1015-L1104 HydrophobicContact CE1-CD2 3.64Å; F1015-L1104 HydrophobicContact CZ-CD2 3.78Å; I1020-L1104 HydrophobicContact CD1-CD2 4.16Å; I1020-L1104 HydrophobicContact CG1-CD2 4.47Å; I1029-L1104 HydrophobicContact CD1-CD1 4.23Å; L1058-L1104 HydrophobicContact CD1-CD2 4.36Å; L1058-L1104 HydrophobicContact CD2-CD2 4.34Å; A1100-L1104 PolarHBondContact O-N 3.11Å; C1101-L1104 PolarHBondContact O-N 2.98Å; L1104-S1106 PolarHBondContact O-N 3.23Å; L1104-E1107 WeakPolarHBondContact O-CB 3.49Å; L1104-E1107 PolarHBondContact O-N 3.04Å; L1104-F1110 HydrophobicContact CD1-CB 4.46Å; L1104-F1110 HydrophobicContact CD1-CG 4.44Å; L1104-F1110 HydrophobicContact CG-CD1 4.29Å; L1104-F1110 HydrophobicContact CG-CG 4.25Å; L1104-F1110 WeakPolarHBondContact O-CD1 3.34Å |
| 1105 | L | 76.5 | Confident | 71.8 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -17.4 | 174.1 | -72.4 | 166.9 | 0 | 0 | 0 | 113.5 | L1058 L1062 C1101 K1102 F1110 I1111 I1136 | L1058-L1105 HydrophobicContact CD1-CD2 4.16Å; L1058-L1105 HydrophobicContact CD2-CD1 4.45Å; L1058-L1105 HydrophobicContact CD2-CG 4.28Å; L1062-L1105 HydrophobicContact CD1-CD1 3.91Å; C1101-L1105 WeakPolarHBondContact O-CB 3.33Å; C1101-L1105 WeakPolarHBondContact O-CG 3.5Å; C1101-L1105 PolarHBondContact O-N 2.81Å; K1102-L1105 PolarHBondContact O-N 2.87Å; L1105-F1110 HydrophobicContact CD2-CE1 4.31Å; L1105-I1111 WeakPolarHBondContact O-CD1 3.44Å; L1105-I1136 HydrophobicContact CD2-CG1 3.68Å |
| 1106 | S | 75.9 | Confident | 74.4 | Confident | 78 Ų | 78 | 48.8 Ų | 48.8 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -0.7 | 169.2 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | K1102 R1103 L1104 Q1108 | K1102-S1106 PolarHBondContact O-N 2.85Å; K1102-S1106 PolarHBondContact O-OG 2.96Å; R1103-S1106 WeakPolarHBondContact CA-OG 3.39Å; R1103-S1106 CarbonylContact O-C 3.54Å; R1103-S1106 PolarHBondContact O-N 3.2Å; R1103-S1106 PolarHBondContact O-OG 3.41Å; L1104-S1106 PolarHBondContact O-N 3.23Å; S1106-Q1108 PolarHBondContact O-N 2.91Å |
| 1107 | E | 82.8 | Confident | 76.9 | Confident | 49 Ų | 49 | 46.5 Ų | 46.5 | 23% | 0.229 | 23% | 0.23 | C | C | . | . | trans | -79.2 | 107 | -179.5 | -165.7 | -177.2 | 151.4 | 0 | 0 | 109.9 | S1025 I1029 R1103 L1104 K1109 F1110 I1111 | S1025-E1107 WeakPolarHBondContact CB-OE2 3.46Å; S1025-E1107 PolarHBondContact OG-OE2 2.95Å; I1029-E1107 VanDerWaalsContact CD1-OE1 3.31Å; I1029-E1107 WeakPolarHBondContact CD1-OE1 3.49Å; R1103-E1107 PolarHBondContact O-N 2.77Å; R1103-E1107 VanDerWaalsContact O-N 3.11Å; L1104-E1107 WeakPolarHBondContact O-CB 3.49Å; L1104-E1107 PolarHBondContact O-N 3.04Å; E1107-K1109 HydrophobicContact CG-CB 4.46Å; E1107-K1109 PolarHBondContact O-N 3.03Å; E1107-F1110 HydrophobicContact CB-CB 4.28Å; E1107-F1110 WeakPolarHBondContact O-CA 3.27Å; E1107-F1110 WeakPolarHBondContact O-CB 3.25Å; E1107-F1110 PolarHBondContact O-N 3.12Å; E1107-I1111 PolarHBondContact O-N 3.23Å | ||
| 1108 | Q | 84 | Confident | 78.6 | Confident | 98 Ų | 98 | 45 Ų | 45 | 46% | 0.458 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -52.1 | -32.2 | -175.3 | -166.5 | 67.3 | 45.3 | 0 | 0 | 113.9 | S1106 I1111 N1112 | S1106-Q1108 PolarHBondContact O-N 2.91Å; Q1108-I1111 PolarHBondContact O-N 3.47Å; Q1108-N1112 PolarHBondContact NE2-OD1 3.43Å; Q1108-N1112 WeakPolarHBondContact O-CB 3.44Å; Q1108-N1112 PolarHBondContact O-N 3.39Å; Q1108-N1112 PolarHBondContact O-OD1 3.07Å |
| 1109 | K | 84.7 | Confident | 79.9 | Confident | 143 Ų | 143 | 47.8 Ų | 47.8 | 62% | 0.622 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.7 | -43.3 | 174.6 | -69 | -173.4 | 175.2 | -173.9 | 0 | 112.7 | I1029 E1107 T1113 | I1029-K1109 HydrophobicContact CG2-CB 4.43Å; E1107-K1109 HydrophobicContact CG-CB 4.46Å; E1107-K1109 PolarHBondContact O-N 3.03Å; K1109-T1113 VanDerWaalsContact O-CB 3.3Å; K1109-T1113 WeakPolarHBondContact O-CB 3.29Å; K1109-T1113 PolarHBondContact O-N 3.13Å; K1109-T1113 VanDerWaalsContact O-N 3.08Å; K1109-T1113 PolarHBondContact O-OG1 2.79Å |
| 1110 | F | 86 | Confident | 80.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.7 | -48.4 | 175.7 | -178.8 | -108.7 | 0 | 0 | 0 | 110.2 | I1029 L1058 L1104 L1105 E1107 N1112 T1113 I1114 I1136 | I1029-F1110 HydrophobicContact CD1-CB 4Å; I1029-F1110 HydrophobicContact CG1-CB 4.32Å; I1029-F1110 HydrophobicContact CG1-CD2 4.21Å; L1058-F1110 HydrophobicContact CD1-CE1 3.88Å; L1058-F1110 HydrophobicContact CD1-CZ 3.72Å; L1104-F1110 HydrophobicContact CD1-CB 4.46Å; L1104-F1110 HydrophobicContact CD1-CG 4.44Å; L1104-F1110 HydrophobicContact CG-CD1 4.29Å; L1104-F1110 HydrophobicContact CG-CG 4.25Å; L1104-F1110 WeakPolarHBondContact O-CD1 3.34Å; L1105-F1110 HydrophobicContact CD2-CE1 4.31Å; E1107-F1110 HydrophobicContact CB-CB 4.28Å; E1107-F1110 WeakPolarHBondContact O-CA 3.27Å; E1107-F1110 WeakPolarHBondContact O-CB 3.25Å; E1107-F1110 PolarHBondContact O-N 3.12Å; F1110-N1112 PolarHBondContact O-N 2.83Å; F1110-T1113 PolarHBondContact O-N 3Å; F1110-T1113 VanDerWaalsContact O-N 3.16Å; F1110-I1114 HydrophobicContact CD1-CG1 4.35Å; F1110-I1114 HydrophobicContact CD2-CG1 4.28Å; F1110-I1114 HydrophobicContact CE1-CG1 4Å; F1110-I1114 HydrophobicContact CE2-CD1 3.92Å; F1110-I1114 HydrophobicContact CE2-CG1 3.92Å; F1110-I1114 HydrophobicContact CG-CG1 4.49Å; F1110-I1114 HydrophobicContact CZ-CD1 4Å; F1110-I1114 HydrophobicContact CZ-CG1 3.77Å; F1110-I1114 WeakPolarHBondContact O-CG1 3.43Å; F1110-I1114 PolarHBondContact O-N 3.09Å; F1110-I1136 HydrophobicContact CE1-CD1 4.36Å |
| 1111 | I | 85.5 | Confident | 81.2 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.1 | -54 | 177.5 | -61.6 | 172.8 | 0 | 0 | 0 | 111.3 | L1105 E1107 Q1108 T1113 I1114 F1115 I1136 T1144 | L1105-I1111 WeakPolarHBondContact O-CD1 3.44Å; E1107-I1111 PolarHBondContact O-N 3.23Å; Q1108-I1111 PolarHBondContact O-N 3.47Å; I1111-T1113 VanDerWaalsContact C-N 3.29Å; I1111-T1113 PolarHBondContact O-N 3.07Å; I1111-I1114 PolarHBondContact O-N 3.46Å; I1111-F1115 HydrophobicContact CG2-CD2 3.67Å; I1111-F1115 HydrophobicContact CG2-CE2 3.29Å; I1111-F1115 HydrophobicContact CG2-CZ 4.08Å; I1111-F1115 WeakPolarHBondContact O-CD2 3.32Å; I1111-F1115 PolarHBondContact O-N 3.18Å; I1111-I1136 HydrophobicContact CG1-CG2 4.26Å; I1111-I1136 HydrophobicContact CG2-CG2 4.33Å; I1111-T1144 HydrophobicContact CD1-CG2 4.39Å |
| 1112 | N | 86 | Confident | 81.6 | Confident | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -36.4 | 179.9 | -70.1 | 2.8 | 0 | 0 | 0 | 112.2 | Q1108 F1110 R1116 | Q1108-N1112 PolarHBondContact NE2-OD1 3.43Å; Q1108-N1112 WeakPolarHBondContact O-CB 3.44Å; Q1108-N1112 PolarHBondContact O-N 3.39Å; Q1108-N1112 PolarHBondContact O-OD1 3.07Å; F1110-N1112 PolarHBondContact O-N 2.83Å; N1112-R1116 WeakPolarHBondContact O-CB 3.22Å; N1112-R1116 VanDerWaalsContact O-CG 3.3Å; N1112-R1116 WeakPolarHBondContact O-CG 3.48Å; N1112-R1116 PolarHBondContact O-N 2.86Å |
| 1113 | T | 85.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.9 | -42.4 | 177.6 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | I1032 E1033 K1109 F1110 I1111 R1116 H1117 | I1032-T1113 HydrophobicContact CG2-CG2 3.94Å; E1033-T1113 HydrophobicContact CB-CG2 4.44Å; K1109-T1113 VanDerWaalsContact O-CB 3.3Å; K1109-T1113 WeakPolarHBondContact O-CB 3.29Å; K1109-T1113 PolarHBondContact O-N 3.13Å; K1109-T1113 VanDerWaalsContact O-N 3.08Å; K1109-T1113 PolarHBondContact O-OG1 2.79Å; F1110-T1113 PolarHBondContact O-N 3Å; F1110-T1113 VanDerWaalsContact O-N 3.16Å; I1111-T1113 VanDerWaalsContact C-N 3.29Å; I1111-T1113 PolarHBondContact O-N 3.07Å; T1113-R1116 PolarHBondContact O-N 2.65Å; T1113-H1117 PolarHBondContact O-CD2 2.93Å; T1113-H1117 PolarHBondContact O-N 3.45Å |
| 1114 | I | 86.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 176 | -64.4 | -52.9 | 0 | 0 | 0 | 111.2 | L1051 F1110 I1111 H1117 L1132 I1136 | L1051-I1114 HydrophobicContact CD2-CD1 3.54Å; F1110-I1114 HydrophobicContact CD1-CG1 4.35Å; F1110-I1114 HydrophobicContact CD2-CG1 4.28Å; F1110-I1114 HydrophobicContact CE1-CG1 4Å; F1110-I1114 HydrophobicContact CE2-CD1 3.92Å; F1110-I1114 HydrophobicContact CE2-CG1 3.92Å; F1110-I1114 HydrophobicContact CG-CG1 4.49Å; F1110-I1114 HydrophobicContact CZ-CD1 4Å; F1110-I1114 HydrophobicContact CZ-CG1 3.77Å; F1110-I1114 WeakPolarHBondContact O-CG1 3.43Å; F1110-I1114 PolarHBondContact O-N 3.09Å; I1111-I1114 PolarHBondContact O-N 3.46Å; I1114-H1117 PolarHBondContact O-N 3.02Å; I1114-L1132 HydrophobicContact CD1-CD1 3.71Å; I1114-L1132 HydrophobicContact CG1-CD1 4.48Å; I1114-L1132 HydrophobicContact CG2-CB 3.84Å; I1114-I1136 HydrophobicContact CB-CD1 4.05Å; I1114-I1136 HydrophobicContact CG1-CD1 4.25Å; I1114-I1136 HydrophobicContact CG2-CD1 3.93Å |
| 1115 | F | 87.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -37.2 | 177.6 | -66.3 | -36.7 | 0 | 0 | 0 | 113.1 | I1111 H1117 L1118 S1133 I1136 I1137 V1147 A1148 Y1151 | I1111-F1115 HydrophobicContact CG2-CD2 3.67Å; I1111-F1115 HydrophobicContact CG2-CE2 3.29Å; I1111-F1115 HydrophobicContact CG2-CZ 4.08Å; I1111-F1115 WeakPolarHBondContact O-CD2 3.32Å; I1111-F1115 PolarHBondContact O-N 3.18Å; F1115-H1117 PolarHBondContact O-N 3.15Å; F1115-L1118 HydrophobicContact CD1-CD1 3.93Å; F1115-L1118 VanDerWaalsContact O-CB 3.3Å; F1115-L1118 WeakPolarHBondContact O-CB 3.11Å; F1115-L1118 WeakPolarHBondContact O-CG 3.31Å; F1115-L1118 PolarHBondContact O-N 3.15Å; F1115-L1118 VanDerWaalsContact O-N 3.07Å; F1115-S1133 WeakPolarHBondContact CD1-OG 3.47Å; F1115-S1133 WeakPolarHBondContact CE1-OG 3.31Å; F1115-I1136 HydrophobicContact CZ-CG2 4.16Å; F1115-I1137 HydrophobicContact CE1-CD1 4.22Å; F1115-I1137 HydrophobicContact CZ-CD1 4.33Å; F1115-I1137 HydrophobicContact CZ-CG1 4.28Å; F1115-V1147 HydrophobicContact CD2-CG1 3.85Å; F1115-V1147 HydrophobicContact CE2-CB 4.15Å; F1115-V1147 HydrophobicContact CE2-CG1 3.81Å; F1115-A1148 HydrophobicContact CD1-CB 4.4Å; F1115-A1148 HydrophobicContact CE1-CB 3.81Å; F1115-A1148 HydrophobicContact CE2-CB 4.08Å; F1115-A1148 HydrophobicContact CZ-CB 3.63Å; F1115-Y1151 HydrophobicContact CB-CD1 4.29Å; F1115-Y1151 HydrophobicContact CB-CD2 3.4Å; F1115-Y1151 VanDerWaalsContact CB-CD2 3.4Å; F1115-Y1151 HydrophobicContact CB-CE2 3.96Å; F1115-Y1151 HydrophobicContact CB-CG 3.6Å; F1115-Y1151 AromaticContact CD2-CD2 3.69Å; F1115-Y1151 HydrophobicContact CD2-CD2 3.69Å; F1115-Y1151 HydrophobicContact CD2-CE2 4.12Å; F1115-Y1151 AromaticContact CG-CD2 3.94Å; F1115-Y1151 HydrophobicContact CG-CD2 3.94Å; F1115-Y1151 HydrophobicContact CG-CG 4.46Å |
| 1116 | R | 85.5 | Confident | 82.8 | Confident | 103 Ų | 103 | 40.7 Ų | 40.7 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.7 | -36.1 | 169.7 | -78.5 | 170.9 | 172.9 | 171 | -2.9 | 112.6 | E1033 P1034 N1112 T1113 L1118 E1119 Y1151 | E1033-R1116 IonicContact OE1-CZ 2.7Å; E1033-R1116 IonicContact OE1-NH1 2.73Å; E1033-R1116 PolarHBondContact OE1-NH1 3.44Å; P1034-R1116 HydrophobicContact CG-CB 4.31Å; N1112-R1116 WeakPolarHBondContact O-CB 3.22Å; N1112-R1116 VanDerWaalsContact O-CG 3.3Å; N1112-R1116 WeakPolarHBondContact O-CG 3.48Å; N1112-R1116 PolarHBondContact O-N 2.86Å; T1113-R1116 PolarHBondContact O-N 2.65Å; R1116-L1118 PolarHBondContact O-N 2.96Å; R1116-E1119 PolarHBondContact O-N 2.84Å; R1116-Y1151 HydrophobicContact CG-CE1 4.01Å |
| 1117 | H | 86.4 | Confident | 83 | Confident | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.046 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -69.8 | -12.5 | 178.3 | -79.3 | -58.7 | 0 | 0 | 0 | 114.6 | I1032 T1113 I1114 F1115 E1119 S1120 I1125 A1129 | I1032-H1117 PolarHBondContact O-CE1 2.67Å; I1032-H1117 PolarHBondContact O-NE2 2.97Å; T1113-H1117 PolarHBondContact O-CD2 2.93Å; T1113-H1117 PolarHBondContact O-N 3.45Å; I1114-H1117 PolarHBondContact O-N 3.02Å; F1115-H1117 PolarHBondContact O-N 3.15Å; H1117-E1119 PolarHBondContact O-N 3.31Å; H1117-S1120 VanDerWaalsContact O-CB 3.23Å; H1117-S1120 WeakPolarHBondContact O-CB 3.35Å; H1117-S1120 PolarHBondContact O-N 2.92Å; H1117-I1125 HydrophobicContact CB-CG2 3.92Å; H1117-I1125 WeakPolarHBondContact ND1-CG2 3.18Å; H1117-A1129 HydrophobicContact CB-CB 3.77Å |
| 1118 | L | 84.9 | Confident | 83 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -68.8 | -24 | 171.3 | -59.7 | 173.1 | 0 | 0 | 0 | 112.6 | F1115 R1116 R1126 A1129 F1130 L1153 L1156 | F1115-L1118 HydrophobicContact CD1-CD1 3.93Å; F1115-L1118 VanDerWaalsContact O-CB 3.3Å; F1115-L1118 WeakPolarHBondContact O-CB 3.11Å; F1115-L1118 WeakPolarHBondContact O-CG 3.31Å; F1115-L1118 PolarHBondContact O-N 3.15Å; F1115-L1118 VanDerWaalsContact O-N 3.07Å; R1116-L1118 PolarHBondContact O-N 2.96Å; L1118-R1126 WeakPolarHBondContact O-CD 3.35Å; L1118-R1126 WeakPolarHBondContact O-CG 3.38Å; L1118-A1129 HydrophobicContact CD2-CB 3.72Å; L1118-A1129 HydrophobicContact CG-CB 4.28Å; L1118-F1130 HydrophobicContact CD2-CB 4.38Å; L1118-F1130 HydrophobicContact CD2-CD1 3.75Å; L1118-F1130 HydrophobicContact CD2-CD2 3.99Å; L1118-F1130 HydrophobicContact CD2-CE1 3.96Å; L1118-F1130 HydrophobicContact CD2-CE2 4.18Å; L1118-F1130 HydrophobicContact CD2-CG 3.76Å; L1118-F1130 HydrophobicContact CD2-CZ 4.16Å; L1118-L1153 HydrophobicContact CD1-CD1 4.12Å; L1118-L1156 HydrophobicContact CB-CD1 3.81Å |
| 1119 | E | 83.5 | Confident | 83.2 | Confident | 90 Ų | 90 | 30 Ų | 30 | 42% | 0.421 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -86.1 | -9 | 176.4 | -62.1 | -168.7 | 129 | 0 | 0 | 113 | R1116 H1117 L1156 | R1116-E1119 PolarHBondContact O-N 2.84Å; H1117-E1119 PolarHBondContact O-N 3.31Å; E1119-L1156 HydrophobicContact CG-CD1 3.98Å |
| 1120 | S | 79.9 | Confident | 83.3 | Confident | 19 Ų | 19 | 23.2 Ų | 23.2 | 13% | 0.133 | 12% | 0.118 | C | C | . | . | trans | -55.2 | 139.6 | -178.4 | -178.6 | 0 | 0 | 0 | 0 | 113 | H1117 H1122 R1126 | H1117-S1120 VanDerWaalsContact O-CB 3.23Å; H1117-S1120 WeakPolarHBondContact O-CB 3.35Å; H1117-S1120 PolarHBondContact O-N 2.92Å; S1120-H1122 VanDerWaalsContact C-N 3.26Å; S1120-H1122 PolarHBondContact O-N 3.43Å; S1120-H1122 PolarHBondContact OG-N 3.36Å; S1120-R1126 WeakPolarHBondContact O-CD 3.39Å; S1120-R1126 VanDerWaalsContact O-CG 3.28Å; S1120-R1126 WeakPolarHBondContact O-CG 3.34Å; S1120-R1126 PolarHBondContact O-NE 3.26Å | ||
| 1121 | P | 76 | Confident | 83.2 | Confident | 100 Ų | 100 | 23.2 Ų | 23.2 | 65% | 0.649 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -62.9 | -34.3 | 174 | 25.4 | -33.5 | 0 | 0 | 0 | 111.9 | A1123 R1126 | P1121-A1123 PolarHBondContact O-N 2.89Å; P1121-R1126 PolarHBondContact O-NH2 3.38Å |
| 1122 | H | 76.4 | Confident | 83.2 | Confident | 49 Ų | 49 | 23 Ų | 23 | 23% | 0.227 | 12% | 0.117 | C | C | . | . | trans | -72.9 | 122.1 | -171.4 | -154.2 | -74.8 | 0 | 0 | 0 | 112.5 | D549 S1120 M1124 I1125 R1126 | D549-H1122 IonicContact OD2-CE1 3.21Å; S1120-H1122 VanDerWaalsContact C-N 3.26Å; S1120-H1122 PolarHBondContact O-N 3.43Å; S1120-H1122 PolarHBondContact OG-N 3.36Å; H1122-M1124 PolarHBondContact O-N 3.22Å; H1122-I1125 HydrophobicContact CB-CB 4.14Å; H1122-I1125 HydrophobicContact CB-CD1 3.91Å; H1122-I1125 HydrophobicContact CB-CG1 4.01Å; H1122-I1125 PolarHBondContact O-N 3.22Å; H1122-R1126 PolarHBondContact O-N 2.87Å; H1122-R1126 VanDerWaalsContact O-N 3.09Å | ||
| 1123 | A | 77.6 | Confident | 83.2 | Confident | 18 Ų | 18 | 20.8 Ų | 20.8 | 15% | 0.149 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | P1121 I1125 R1126 A1127 C1197 L1201 | P1121-A1123 PolarHBondContact O-N 2.89Å; A1123-I1125 VanDerWaalsContact C-N 3.32Å; A1123-I1125 PolarHBondContact O-N 3.47Å; A1123-R1126 PolarHBondContact O-N 3.02Å; A1123-A1127 WeakPolarHBondContact O-CB 3.24Å; A1123-A1127 PolarHBondContact O-N 3.14Å; A1123-C1197 HydrophobicContact CB-CB 4.38Å; A1123-L1201 HydrophobicContact CB-CD2 4.02Å |
| 1124 | M | 76.5 | Confident | 83 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.9 | -34.7 | 178.1 | -176.6 | 58.6 | 68.7 | 0 | 0 | 113.5 | D549 F554 A1048 H1122 K1128 C1197 Y1200 | D549-M1124 WeakPolarHBondContact OD1-CG 3.38Å; F554-M1124 HydrophobicContact CE2-CE 4.18Å; A1048-M1124 HydrophobicContact CB-CG 4.13Å; H1122-M1124 PolarHBondContact O-N 3.22Å; M1124-K1128 HydrophobicContact CG-CD 4.3Å; M1124-K1128 WeakPolarHBondContact O-CG 3.38Å; M1124-K1128 PolarHBondContact O-N 2.97Å; M1124-K1128 HydrophobicContact SD-CD 4.01Å; M1124-K1128 WeakPolarHBondContact SD-CE 3.5Å; M1124-K1128 HydrophobicContact SD-CG 4.48Å; M1124-K1128 PolarHBondContact SD-NZ 3.16Å; M1124-K1128 VanDerWaalsContact SD-NZ 3.4Å; M1124-C1197 HydrophobicContact CB-CB 4.41Å; M1124-C1197 HydrophobicContact CE-CB 3.97Å; M1124-C1197 VanDerWaalsContact CE-SG 3.52Å; M1124-Y1200 HydrophobicContact CE-CD1 3.99Å; M1124-Y1200 HydrophobicContact SD-CD1 3.72Å; M1124-Y1200 HydrophobicContact SD-CE1 3.75Å |
| 1125 | I | 81.3 | Confident | 82.6 | Confident | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.036 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70 | -48.2 | 176.5 | -67 | 179.7 | 0 | 0 | 0 | 109.5 | V1047 A1048 L1051 H1117 H1122 A1123 A1127 K1128 A1129 | V1047-I1125 HydrophobicContact CB-CD1 4.37Å; V1047-I1125 HydrophobicContact CG1-CD1 4.18Å; A1048-I1125 HydrophobicContact CB-CG1 4.28Å; L1051-I1125 HydrophobicContact CD1-CB 4.47Å; L1051-I1125 HydrophobicContact CD1-CG2 3.83Å; H1117-I1125 HydrophobicContact CB-CG2 3.92Å; H1117-I1125 WeakPolarHBondContact ND1-CG2 3.18Å; H1122-I1125 HydrophobicContact CB-CB 4.14Å; H1122-I1125 HydrophobicContact CB-CD1 3.91Å; H1122-I1125 HydrophobicContact CB-CG1 4.01Å; H1122-I1125 PolarHBondContact O-N 3.22Å; A1123-I1125 VanDerWaalsContact C-N 3.32Å; A1123-I1125 PolarHBondContact O-N 3.47Å; I1125-A1127 VanDerWaalsContact C-N 3.32Å; I1125-A1127 PolarHBondContact O-N 3.41Å; I1125-K1128 PolarHBondContact O-N 2.66Å; I1125-A1129 WeakPolarHBondContact O-CB 3.34Å; I1125-A1129 PolarHBondContact O-N 3.22Å |
| 1126 | R | 85.4 | Confident | 82.4 | Confident | 33 Ų | 33 | 21 Ų | 21 | 13% | 0.125 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.7 | -44.7 | 173.5 | -78.6 | -173.8 | -84.6 | 144.4 | -6.2 | 112.1 | L1118 S1120 P1121 H1122 A1123 K1128 A1129 F1130 N1160 L1201 | L1118-R1126 WeakPolarHBondContact O-CD 3.35Å; L1118-R1126 WeakPolarHBondContact O-CG 3.38Å; S1120-R1126 WeakPolarHBondContact O-CD 3.39Å; S1120-R1126 VanDerWaalsContact O-CG 3.28Å; S1120-R1126 WeakPolarHBondContact O-CG 3.34Å; S1120-R1126 PolarHBondContact O-NE 3.26Å; P1121-R1126 PolarHBondContact O-NH2 3.38Å; H1122-R1126 PolarHBondContact O-N 2.87Å; H1122-R1126 VanDerWaalsContact O-N 3.09Å; A1123-R1126 PolarHBondContact O-N 3.02Å; R1126-K1128 VanDerWaalsContact C-N 3.34Å; R1126-K1128 PolarHBondContact O-N 2.97Å; R1126-A1129 PolarHBondContact O-N 2.71Å; R1126-F1130 HydrophobicContact CB-CD2 4.45Å; R1126-F1130 HydrophobicContact CB-CE2 4.46Å; R1126-F1130 WeakPolarHBondContact O-CD2 3.47Å; R1126-F1130 PolarHBondContact O-N 3.02Å; R1126-N1160 PolarHBondContact NH1-OD1 3.03Å; R1126-L1201 HydrophobicContact CB-CD1 3.79Å |
| 1127 | A | 81.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1123 I1125 L1131 Y1200 L1201 C1204 | A1123-A1127 WeakPolarHBondContact O-CB 3.24Å; A1123-A1127 PolarHBondContact O-N 3.14Å; I1125-A1127 VanDerWaalsContact C-N 3.32Å; I1125-A1127 PolarHBondContact O-N 3.41Å; A1127-L1131 PolarHBondContact O-N 3.46Å; A1127-L1131 VanDerWaalsContact O-N 3.1Å; A1127-Y1200 HydrophobicContact CB-CD1 3.5Å; A1127-Y1200 VanDerWaalsContact CB-CD1 3.5Å; A1127-Y1200 HydrophobicContact CB-CE1 3.55Å; A1127-L1201 HydrophobicContact CB-CB 3.97Å; A1127-L1201 HydrophobicContact CB-CD1 4.07Å; A1127-C1204 HydrophobicContact CB-CB 4.46Å; A1127-C1204 WeakPolarHBondContact O-CB 3.5Å; A1127-C1204 PolarHBondContact O-SG 3.1Å |
| 1128 | K | 83.3 | Confident | 81.7 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -74 | -33.9 | 178.6 | -68.4 | 169.7 | 175.5 | 173.8 | 0 | 111.9 | P546 A1048 L1051 S1052 M1124 I1125 R1126 L1131 L1132 Y1200 | P546-K1128 PolarHBondContact O-NZ 3.37Å; A1048-K1128 WeakPolarHBondContact O-CD 3.47Å; A1048-K1128 PolarHBondContact O-NZ 3.38Å; L1051-K1128 HydrophobicContact CB-CB 3.87Å; L1051-K1128 HydrophobicContact CB-CD 4.34Å; L1051-K1128 HydrophobicContact CD1-CB 4.45Å; S1052-K1128 VanDerWaalsContact OG-CD 3.28Å; S1052-K1128 WeakPolarHBondContact OG-CD 3.43Å; S1052-K1128 WeakPolarHBondContact OG-CE 3.38Å; S1052-K1128 PolarHBondContact OG-NZ 2.91Å; M1124-K1128 HydrophobicContact CG-CD 4.3Å; M1124-K1128 WeakPolarHBondContact O-CG 3.38Å; M1124-K1128 PolarHBondContact O-N 2.97Å; M1124-K1128 HydrophobicContact SD-CD 4.01Å; M1124-K1128 WeakPolarHBondContact SD-CE 3.5Å; M1124-K1128 HydrophobicContact SD-CG 4.48Å; M1124-K1128 PolarHBondContact SD-NZ 3.16Å; M1124-K1128 VanDerWaalsContact SD-NZ 3.4Å; I1125-K1128 PolarHBondContact O-N 2.66Å; R1126-K1128 VanDerWaalsContact C-N 3.34Å; R1126-K1128 PolarHBondContact O-N 2.97Å; K1128-L1131 PolarHBondContact O-N 3.48Å; K1128-L1132 WeakPolarHBondContact O-CB 3.36Å; K1128-L1132 WeakPolarHBondContact O-CG 3.37Å; K1128-L1132 PolarHBondContact O-N 3.11Å; K1128-Y1200 HydrophobicContact CG-CE1 4.19Å |
| 1129 | A | 87.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1117 L1118 I1125 R1126 L1131 L1132 S1133 | H1117-A1129 HydrophobicContact CB-CB 3.77Å; L1118-A1129 HydrophobicContact CD2-CB 3.72Å; L1118-A1129 HydrophobicContact CG-CB 4.28Å; I1125-A1129 WeakPolarHBondContact O-CB 3.34Å; I1125-A1129 PolarHBondContact O-N 3.22Å; R1126-A1129 PolarHBondContact O-N 2.71Å; A1129-L1131 VanDerWaalsContact C-N 3.34Å; A1129-L1131 PolarHBondContact O-N 3.31Å; A1129-L1132 PolarHBondContact O-N 3.35Å; A1129-S1133 WeakPolarHBondContact O-CB 3.09Å; A1129-S1133 PolarHBondContact O-N 3.21Å; A1129-S1133 PolarHBondContact O-OG 3.03Å |
| 1130 | F | 87.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 173.9 | -83.5 | -67.9 | 0 | 0 | 0 | 112.3 | L1118 R1126 S1133 S1134 L1153 L1156 L1157 L1201 C1204 V1205 M1208 | L1118-F1130 HydrophobicContact CD2-CB 4.38Å; L1118-F1130 HydrophobicContact CD2-CD1 3.75Å; L1118-F1130 HydrophobicContact CD2-CD2 3.99Å; L1118-F1130 HydrophobicContact CD2-CE1 3.96Å; L1118-F1130 HydrophobicContact CD2-CE2 4.18Å; L1118-F1130 HydrophobicContact CD2-CG 3.76Å; L1118-F1130 HydrophobicContact CD2-CZ 4.16Å; R1126-F1130 HydrophobicContact CB-CD2 4.45Å; R1126-F1130 HydrophobicContact CB-CE2 4.46Å; R1126-F1130 WeakPolarHBondContact O-CD2 3.47Å; R1126-F1130 PolarHBondContact O-N 3.02Å; F1130-S1133 PolarHBondContact O-N 3.17Å; F1130-S1134 PolarHBondContact O-N 2.83Å; F1130-L1153 HydrophobicContact CD1-CD1 4.47Å; F1130-L1153 HydrophobicContact CE1-CD1 3.88Å; F1130-L1156 HydrophobicContact CZ-CB 4.29Å; F1130-L1157 HydrophobicContact CD1-CD2 4.18Å; F1130-L1157 HydrophobicContact CE1-CD2 3.65Å; F1130-L1157 HydrophobicContact CE1-CG 4.16Å; F1130-L1157 HydrophobicContact CZ-CD2 4.48Å; F1130-L1201 HydrophobicContact CD2-CD1 3.9Å; F1130-L1201 HydrophobicContact CE2-CD1 4.18Å; F1130-C1204 HydrophobicContact CB-CB 4.39Å; F1130-V1205 HydrophobicContact CB-CG2 4.42Å; F1130-V1205 HydrophobicContact CD1-CG2 4.19Å; F1130-V1205 HydrophobicContact CD2-CG2 3.38Å; F1130-V1205 HydrophobicContact CE1-CG2 4.31Å; F1130-V1205 HydrophobicContact CE2-CG2 3.53Å; F1130-V1205 HydrophobicContact CG-CG2 3.75Å; F1130-V1205 HydrophobicContact CZ-CG2 4.01Å; F1130-M1208 HydrophobicContact CD1-CG 4.39Å |
| 1131 | L | 83.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 178.4 | -168.9 | 67 | 0 | 0 | 0 | 111.7 | A542 L543 L1059 A1127 K1128 A1129 S1134 | A542-L1131 HydrophobicContact CB-CD1 3.71Å; A542-L1131 HydrophobicContact CB-CD2 4.17Å; L543-L1131 HydrophobicContact CD2-CD2 4.31Å; L1059-L1131 HydrophobicContact CD1-CD2 3.68Å; L1059-L1131 HydrophobicContact CD1-CG 3.61Å; A1127-L1131 PolarHBondContact O-N 3.46Å; A1127-L1131 VanDerWaalsContact O-N 3.1Å; K1128-L1131 PolarHBondContact O-N 3.48Å; A1129-L1131 VanDerWaalsContact C-N 3.34Å; A1129-L1131 PolarHBondContact O-N 3.31Å; L1131-S1134 PolarHBondContact O-N 3.06Å; L1131-S1134 PolarHBondContact O-OG 3.45Å |
| 1132 | L | 85.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.8 | -41.1 | 174.7 | -74.3 | 167.9 | 0 | 0 | 0 | 112.4 | L1051 A1054 L1058 L1059 I1114 K1128 A1129 S1134 A1135 I1136 | L1051-L1132 HydrophobicContact CD2-CD1 3.98Å; A1054-L1132 HydrophobicContact CB-CD1 4.15Å; A1054-L1132 HydrophobicContact CB-CD2 4.37Å; L1058-L1132 HydrophobicContact CD1-CD2 4.19Å; L1059-L1132 HydrophobicContact CD1-CD2 4.49Å; L1059-L1132 HydrophobicContact CG-CD2 4.49Å; I1114-L1132 HydrophobicContact CD1-CD1 3.71Å; I1114-L1132 HydrophobicContact CG1-CD1 4.48Å; I1114-L1132 HydrophobicContact CG2-CB 3.84Å; K1128-L1132 WeakPolarHBondContact O-CB 3.36Å; K1128-L1132 WeakPolarHBondContact O-CG 3.37Å; K1128-L1132 PolarHBondContact O-N 3.11Å; A1129-L1132 PolarHBondContact O-N 3.35Å; L1132-S1134 VanDerWaalsContact C-N 3.25Å; L1132-S1134 PolarHBondContact O-N 3.02Å; L1132-A1135 PolarHBondContact O-N 3.34Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.45Å; L1132-I1136 PolarHBondContact O-N 2.7Å |
| 1133 | S | 86.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.1 | -38.2 | 173.6 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | F1115 A1129 F1130 A1135 I1136 I1137 | F1115-S1133 WeakPolarHBondContact CD1-OG 3.47Å; F1115-S1133 WeakPolarHBondContact CE1-OG 3.31Å; A1129-S1133 WeakPolarHBondContact O-CB 3.09Å; A1129-S1133 PolarHBondContact O-N 3.21Å; A1129-S1133 PolarHBondContact O-OG 3.03Å; F1130-S1133 PolarHBondContact O-N 3.17Å; S1133-A1135 VanDerWaalsContact C-N 3.3Å; S1133-A1135 PolarHBondContact O-N 2.96Å; S1133-I1136 PolarHBondContact O-N 3.37Å; S1133-I1137 WeakPolarHBondContact O-CG1 3.2Å; S1133-I1137 PolarHBondContact O-N 3.33Å |
| 1134 | S | 81.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | 178.2 | 78.9 | 0 | 0 | 0 | 0 | 112.9 | F1130 L1131 L1132 A1138 M1208 | F1130-S1134 PolarHBondContact O-N 2.83Å; L1131-S1134 PolarHBondContact O-N 3.06Å; L1131-S1134 PolarHBondContact O-OG 3.45Å; L1132-S1134 VanDerWaalsContact C-N 3.25Å; L1132-S1134 PolarHBondContact O-N 3.02Å; S1134-A1138 WeakPolarHBondContact O-CB 3.49Å; S1134-A1138 PolarHBondContact O-N 3.25Å; S1134-M1208 WeakPolarHBondContact CA-SD 3.3Å; S1134-M1208 WeakPolarHBondContact CB-SD 3.25Å |
| 1135 | A | 77.6 | Confident | 79.7 | Confident | 7 Ų | 7 | 18.2 Ų | 18.2 | 6% | 0.058 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -81.2 | -32.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1059 L1062 L1132 S1133 I1137 N1139 | L1059-A1135 HydrophobicContact CD2-CB 3.2Å; L1062-A1135 HydrophobicContact CD1-CB 4.14Å; L1132-A1135 PolarHBondContact O-N 3.34Å; S1133-A1135 VanDerWaalsContact C-N 3.3Å; S1133-A1135 PolarHBondContact O-N 2.96Å; A1135-I1137 VanDerWaalsContact C-N 3.34Å; A1135-N1139 WeakPolarHBondContact O-CB 3.27Å; A1135-N1139 PolarHBondContact O-N 2.99Å |
| 1136 | I | 83.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 171 | -69.9 | 166 | 0 | 0 | 0 | 109.6 | L1105 F1110 I1111 I1114 F1115 L1132 S1133 N1139 S1140 T1144 | L1105-I1136 HydrophobicContact CD2-CG1 3.68Å; F1110-I1136 HydrophobicContact CE1-CD1 4.36Å; I1111-I1136 HydrophobicContact CG1-CG2 4.26Å; I1111-I1136 HydrophobicContact CG2-CG2 4.33Å; I1114-I1136 HydrophobicContact CB-CD1 4.05Å; I1114-I1136 HydrophobicContact CG1-CD1 4.25Å; I1114-I1136 HydrophobicContact CG2-CD1 3.93Å; F1115-I1136 HydrophobicContact CZ-CG2 4.16Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.45Å; L1132-I1136 PolarHBondContact O-N 2.7Å; S1133-I1136 PolarHBondContact O-N 3.37Å; I1136-N1139 PolarHBondContact O-N 3.31Å; I1136-S1140 PolarHBondContact O-N 3.43Å; I1136-S1140 PolarHBondContact O-OG 3.27Å; I1136-T1144 HydrophobicContact CG2-CG2 3.88Å |
| 1137 | I | 81.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75.2 | -39.1 | -176.1 | -58.6 | 164.1 | 0 | 0 | 0 | 111.2 | F1115 S1133 A1135 N1139 S1140 P1141 T1144 L1145 A1148 L1153 M1208 I1216 | F1115-I1137 HydrophobicContact CE1-CD1 4.22Å; F1115-I1137 HydrophobicContact CZ-CD1 4.33Å; F1115-I1137 HydrophobicContact CZ-CG1 4.28Å; S1133-I1137 WeakPolarHBondContact O-CG1 3.2Å; S1133-I1137 PolarHBondContact O-N 3.33Å; A1135-I1137 VanDerWaalsContact C-N 3.34Å; I1137-N1139 VanDerWaalsContact C-N 3.28Å; I1137-N1139 PolarHBondContact O-N 3.32Å; I1137-S1140 CarbonylContact O-C 3.5Å; I1137-S1140 PolarHBondContact O-N 3.34Å; I1137-P1141 WeakPolarHBondContact O-CA 3.33Å; I1137-P1141 WeakPolarHBondContact O-CB 3.5Å; I1137-P1141 WeakPolarHBondContact O-CD 3.25Å; I1137-P1141 VanDerWaalsContact O-N 3.11Å; I1137-T1144 WeakPolarHBondContact CA-OG1 3.46Å; I1137-L1145 HydrophobicContact CG2-CB 4.44Å; I1137-L1145 HydrophobicContact CG2-CD1 4.35Å; I1137-A1148 HydrophobicContact CD1-CB 3.89Å; I1137-L1153 HydrophobicContact CD1-CD2 4.14Å; I1137-M1208 HydrophobicContact CD1-CE 3.57Å; I1137-I1216 HydrophobicContact CB-CD1 4.38Å; I1137-I1216 HydrophobicContact CG2-CD1 3.58Å |
| 1138 | A | 76.6 | Confident | 79.1 | Confident | 58 Ų | 58 | 19.1 Ų | 19.1 | 48% | 0.479 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -65.8 | -25.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1134 | S1134-A1138 WeakPolarHBondContact O-CB 3.49Å; S1134-A1138 PolarHBondContact O-N 3.25Å |
| 1139 | N | 74.3 | Confident | 78.9 | Confident | 55 Ų | 55 | 19.7 Ų | 19.7 | 29% | 0.294 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -84.3 | -23.2 | 178.1 | 176.8 | 82.6 | 0 | 0 | 0 | 113.5 | A1135 I1136 I1137 | A1135-N1139 WeakPolarHBondContact O-CB 3.27Å; A1135-N1139 PolarHBondContact O-N 2.99Å; I1136-N1139 PolarHBondContact O-N 3.31Å; I1137-N1139 VanDerWaalsContact C-N 3.28Å; I1137-N1139 PolarHBondContact O-N 3.32Å |
| 1140 | S | 73.4 | Confident | 78.6 | Confident | 30 Ų | 30 | 27.1 Ų | 27.1 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -156.8 | 66.9 | -174.8 | 35.2 | 0 | 0 | 0 | 0 | 112.1 | I1136 I1137 Q1142 T1144 | I1136-S1140 PolarHBondContact O-N 3.43Å; I1136-S1140 PolarHBondContact O-OG 3.27Å; I1137-S1140 CarbonylContact O-C 3.5Å; I1137-S1140 PolarHBondContact O-N 3.34Å; S1140-Q1142 PolarHBondContact O-N 3.48Å; S1140-T1144 WeakPolarHBondContact O-CB 3.25Å; S1140-T1144 WeakPolarHBondContact O-CG2 3.33Å; S1140-T1144 PolarHBondContact O-N 2.97Å; S1140-T1144 PolarHBondContact O-OG1 2.8Å |
| 1141 | P | 69.2 | Low | 78.2 | Confident | 36 Ų | 36 | 29.7 Ų | 29.7 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.3 | -32.2 | -166.6 | 24.7 | -34.1 | 0 | 0 | 0 | 114.5 | I1137 L1145 I1216 | I1137-P1141 WeakPolarHBondContact O-CA 3.33Å; I1137-P1141 WeakPolarHBondContact O-CB 3.5Å; I1137-P1141 WeakPolarHBondContact O-CD 3.25Å; I1137-P1141 VanDerWaalsContact O-N 3.11Å; P1141-L1145 WeakPolarHBondContact O-CB 3.5Å; P1141-L1145 PolarHBondContact O-N 2.95Å; P1141-I1216 HydrophobicContact CB-CG2 4.2Å |
| 1142 | Q | 68.6 | Low | 78.1 | Confident | 49 Ų | 49 | 36.8 Ų | 36.8 | 23% | 0.229 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -48.8 | -174.2 | -69 | 176.6 | -10.5 | 0 | 0 | 112.3 | S1140 T1294 | S1140-Q1142 PolarHBondContact O-N 3.48Å; Q1142-T1294 PolarHBondContact OE1-OG1 3.28Å |
| 1143 | D | 71.5 | Confident | 78 | Confident | 95 Ų | 95 | 36.9 Ų | 36.9 | 51% | 0.508 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -85.4 | -41.3 | -178.1 | -49.9 | -51.2 | 0 | 0 | 0 | 112.2 | T1294 | D1143-T1294 VanDerWaalsContact OD1-CG2 3.32Å; D1143-T1294 WeakPolarHBondContact OD1-CG2 3.3Å |
| 1144 | T | 77.4 | Confident | 77.7 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -80 | -24.3 | -169 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | I1111 I1136 I1137 S1140 V1147 A1148 | I1111-T1144 HydrophobicContact CD1-CG2 4.39Å; I1136-T1144 HydrophobicContact CG2-CG2 3.88Å; I1137-T1144 WeakPolarHBondContact CA-OG1 3.46Å; S1140-T1144 WeakPolarHBondContact O-CB 3.25Å; S1140-T1144 WeakPolarHBondContact O-CG2 3.33Å; S1140-T1144 PolarHBondContact O-N 2.97Å; S1140-T1144 PolarHBondContact O-OG1 2.8Å; T1144-V1147 PolarHBondContact O-N 2.97Å; T1144-A1148 WeakPolarHBondContact O-CB 3.29Å; T1144-A1148 PolarHBondContact O-N 3.25Å |
| 1145 | L | 78.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 177.5 | -176.2 | 63.8 | 0 | 0 | 0 | 111.5 | I1137 P1141 A1148 C1149 L1212 I1216 I1220 A1298 C1301 I1305 | I1137-L1145 HydrophobicContact CG2-CB 4.44Å; I1137-L1145 HydrophobicContact CG2-CD1 4.35Å; P1141-L1145 WeakPolarHBondContact O-CB 3.5Å; P1141-L1145 PolarHBondContact O-N 2.95Å; L1145-A1148 PolarHBondContact O-N 3.43Å; L1145-C1149 PolarHBondContact O-N 2.75Å; L1145-C1149 PolarHBondContact O-SG 3.39Å; L1145-L1212 HydrophobicContact CD1-CD2 4.06Å; L1145-I1216 HydrophobicContact CD2-CG2 4.4Å; L1145-I1220 HydrophobicContact CD2-CD1 3.73Å; L1145-A1298 HydrophobicContact CD2-CB 4.42Å; L1145-C1301 HydrophobicContact CD2-CB 4.49Å; L1145-I1305 HydrophobicContact CD1-CD1 4.34Å |
| 1146 | S | 75.7 | Confident | 78 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -47.5 | 174.9 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | A1148 C1149 H1150 | S1146-A1148 VanDerWaalsContact C-N 3.33Å; S1146-A1148 PolarHBondContact O-N 3.01Å; S1146-C1149 PolarHBondContact O-N 3.28Å; S1146-C1149 VanDerWaalsContact O-N 3.16Å; S1146-H1150 PolarHBondContact O-CD2 3.34Å; S1146-H1150 VanDerWaalsContact O-CD2 3.24Å; S1146-H1150 PolarHBondContact O-N 3.16Å |
| 1147 | V | 80.3 | Confident | 78.1 | Confident | 35 Ų | 35 | 40.3 Ų | 40.3 | 21% | 0.212 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | F1115 T1144 C1149 H1150 Y1151 | F1115-V1147 HydrophobicContact CD2-CG1 3.85Å; F1115-V1147 HydrophobicContact CE2-CB 4.15Å; F1115-V1147 HydrophobicContact CE2-CG1 3.81Å; T1144-V1147 PolarHBondContact O-N 2.97Å; V1147-C1149 VanDerWaalsContact C-N 3.34Å; V1147-C1149 PolarHBondContact O-N 3.21Å; V1147-H1150 WeakPolarHBondContact O-CB 3.04Å; V1147-H1150 PolarHBondContact O-N 3Å; V1147-Y1151 HydrophobicContact CG1-CD2 4.02Å; V1147-Y1151 HydrophobicContact CG1-CE2 3.91Å; V1147-Y1151 VanDerWaalsContact O-CD2 3.3Å; V1147-Y1151 WeakPolarHBondContact O-CD2 3.44Å; V1147-Y1151 PolarHBondContact O-N 3.28Å; V1147-Y1151 VanDerWaalsContact O-N 3.1Å |
| 1148 | A | 79.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1115 I1137 T1144 L1145 S1146 Y1151 R1152 L1153 | F1115-A1148 HydrophobicContact CD1-CB 4.4Å; F1115-A1148 HydrophobicContact CE1-CB 3.81Å; F1115-A1148 HydrophobicContact CE2-CB 4.08Å; F1115-A1148 HydrophobicContact CZ-CB 3.63Å; I1137-A1148 HydrophobicContact CD1-CB 3.89Å; T1144-A1148 WeakPolarHBondContact O-CB 3.29Å; T1144-A1148 PolarHBondContact O-N 3.25Å; L1145-A1148 PolarHBondContact O-N 3.43Å; S1146-A1148 VanDerWaalsContact C-N 3.33Å; S1146-A1148 PolarHBondContact O-N 3.01Å; A1148-Y1151 CarbonylContact O-C 3.6Å; A1148-Y1151 VanDerWaalsContact O-C 3.27Å; A1148-Y1151 WeakPolarHBondContact O-CA 3.17Å; A1148-Y1151 PolarHBondContact O-N 3.14Å; A1148-Y1151 VanDerWaalsContact O-N 3.17Å; A1148-R1152 PolarHBondContact O-N 3.42Å; A1148-L1153 HydrophobicContact CB-CB 4.21Å; A1148-L1153 HydrophobicContact CB-CD2 3.75Å; A1148-L1153 WeakPolarHBondContact O-CB 3.38Å; A1148-L1153 PolarHBondContact O-N 2.95Å; A1148-L1153 VanDerWaalsContact O-N 3.15Å |
| 1149 | C | 78 | Confident | 78.4 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 10% | 0.095 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.8 | -35.6 | 174.4 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | L1145 S1146 V1147 Y1151 R1152 L1304 | L1145-C1149 PolarHBondContact O-N 2.75Å; L1145-C1149 PolarHBondContact O-SG 3.39Å; S1146-C1149 PolarHBondContact O-N 3.28Å; S1146-C1149 VanDerWaalsContact O-N 3.16Å; V1147-C1149 VanDerWaalsContact C-N 3.34Å; V1147-C1149 PolarHBondContact O-N 3.21Å; C1149-Y1151 VanDerWaalsContact C-N 3.31Å; C1149-Y1151 PolarHBondContact O-N 2.87Å; C1149-R1152 PolarHBondContact O-N 2.88Å; C1149-L1304 HydrophobicContact CB-CD2 3.98Å |
| 1150 | H | 80.6 | Confident | 78.8 | Confident | 155 Ų | 155 | 43.3 Ų | 43.3 | 72% | 0.718 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61.8 | -36.5 | 168.8 | -76.5 | -67.1 | 0 | 0 | 0 | 112.5 | S1146 V1147 R1152 | S1146-H1150 PolarHBondContact O-CD2 3.34Å; S1146-H1150 VanDerWaalsContact O-CD2 3.24Å; S1146-H1150 PolarHBondContact O-N 3.16Å; V1147-H1150 WeakPolarHBondContact O-CB 3.04Å; V1147-H1150 PolarHBondContact O-N 3Å; H1150-R1152 PolarHBondContact O-N 3.33Å; H1150-R1152 VanDerWaalsContact O-N 3.1Å |
| 1151 | Y | 78.9 | Confident | 79 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 21% | 0.212 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 32.4 | 168.3 | -71.4 | -72.2 | 0 | 0 | 0 | 113.6 | F1115 R1116 V1147 A1148 C1149 L1153 L1156 | F1115-Y1151 HydrophobicContact CB-CD1 4.29Å; F1115-Y1151 HydrophobicContact CB-CD2 3.4Å; F1115-Y1151 VanDerWaalsContact CB-CD2 3.4Å; F1115-Y1151 HydrophobicContact CB-CE2 3.96Å; F1115-Y1151 HydrophobicContact CB-CG 3.6Å; F1115-Y1151 AromaticContact CD2-CD2 3.69Å; F1115-Y1151 HydrophobicContact CD2-CD2 3.69Å; F1115-Y1151 HydrophobicContact CD2-CE2 4.12Å; F1115-Y1151 AromaticContact CG-CD2 3.94Å; F1115-Y1151 HydrophobicContact CG-CD2 3.94Å; F1115-Y1151 HydrophobicContact CG-CG 4.46Å; R1116-Y1151 HydrophobicContact CG-CE1 4.01Å; V1147-Y1151 HydrophobicContact CG1-CD2 4.02Å; V1147-Y1151 HydrophobicContact CG1-CE2 3.91Å; V1147-Y1151 VanDerWaalsContact O-CD2 3.3Å; V1147-Y1151 WeakPolarHBondContact O-CD2 3.44Å; V1147-Y1151 PolarHBondContact O-N 3.28Å; V1147-Y1151 VanDerWaalsContact O-N 3.1Å; A1148-Y1151 CarbonylContact O-C 3.6Å; A1148-Y1151 VanDerWaalsContact O-C 3.27Å; A1148-Y1151 WeakPolarHBondContact O-CA 3.17Å; A1148-Y1151 PolarHBondContact O-N 3.14Å; A1148-Y1151 VanDerWaalsContact O-N 3.17Å; C1149-Y1151 VanDerWaalsContact C-N 3.31Å; C1149-Y1151 PolarHBondContact O-N 2.87Å; Y1151-L1153 PolarHBondContact O-N 3.31Å; Y1151-L1156 WeakPolarHBondContact O-CD1 3.46Å |
| 1152 | R | 81.8 | Confident | 79.3 | Confident | 151 Ų | 151 | 45.6 Ų | 45.6 | 57% | 0.57 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 18.6 | 170.6 | -56.5 | 178.8 | 65 | -178.9 | 4.1 | 115.8 | A1148 C1149 H1150 P1154 T1155 L1156 | A1148-R1152 PolarHBondContact O-N 3.42Å; C1149-R1152 PolarHBondContact O-N 2.88Å; H1150-R1152 PolarHBondContact O-N 3.33Å; H1150-R1152 VanDerWaalsContact O-N 3.1Å; R1152-P1154 VanDerWaalsContact C-CD 3.46Å; R1152-P1154 VanDerWaalsContact O-N 3.1Å; R1152-T1155 PolarHBondContact O-N 3.42Å; R1152-T1155 PolarHBondContact O-OG1 2.61Å; R1152-L1156 HydrophobicContact CB-CD1 4.42Å; R1152-L1156 PolarHBondContact O-N 2.88Å; R1152-L1156 VanDerWaalsContact O-N 3.17Å |
| 1153 | L | 84.1 | Confident | 79.2 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -46.1 | -44.5 | -172.4 | 176.1 | 68 | 0 | 0 | 0 | 114.6 | L1118 F1130 I1137 A1148 Y1151 T1155 L1156 L1157 M1208 | L1118-L1153 HydrophobicContact CD1-CD1 4.12Å; F1130-L1153 HydrophobicContact CD1-CD1 4.47Å; F1130-L1153 HydrophobicContact CE1-CD1 3.88Å; I1137-L1153 HydrophobicContact CD1-CD2 4.14Å; A1148-L1153 HydrophobicContact CB-CB 4.21Å; A1148-L1153 HydrophobicContact CB-CD2 3.75Å; A1148-L1153 WeakPolarHBondContact O-CB 3.38Å; A1148-L1153 PolarHBondContact O-N 2.95Å; A1148-L1153 VanDerWaalsContact O-N 3.15Å; Y1151-L1153 PolarHBondContact O-N 3.31Å; L1153-T1155 PolarHBondContact O-N 3.1Å; L1153-L1156 PolarHBondContact O-N 3.34Å; L1153-L1157 HydrophobicContact CD1-CD1 3.92Å; L1153-L1157 HydrophobicContact CD1-CD2 4.38Å; L1153-L1157 HydrophobicContact CD1-CG 3.8Å; L1153-L1157 HydrophobicContact CD2-CD1 4.28Å; L1153-L1157 HydrophobicContact CG-CD1 3.77Å; L1153-L1157 HydrophobicContact CG-CG 4.14Å; L1153-L1157 WeakPolarHBondContact O-CB 3.47Å; L1153-L1157 WeakPolarHBondContact O-CG 3.41Å; L1153-L1157 PolarHBondContact O-N 2.97Å; L1153-M1208 HydrophobicContact CD2-CE 4.16Å |
| 1154 | P | 80.1 | Confident | 79 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -45 | 178.4 | -27.1 | 37 | 0 | 0 | 0 | 113.3 | R1152 L1156 L1157 E1158 L1304 I1305 | R1152-P1154 VanDerWaalsContact C-CD 3.46Å; R1152-P1154 VanDerWaalsContact O-N 3.1Å; P1154-L1156 VanDerWaalsContact C-N 3.33Å; P1154-L1156 PolarHBondContact O-N 2.98Å; P1154-L1157 PolarHBondContact O-N 3.45Å; P1154-E1158 PolarHBondContact O-N 2.98Å; P1154-L1304 HydrophobicContact CG-CD2 4.24Å; P1154-L1304 HydrophobicContact CG-CG 4.16Å; P1154-I1305 HydrophobicContact CG-CG1 4.05Å |
| 1155 | T | 81.8 | Confident | 78.4 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.5 | -31.9 | 178.8 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | R1152 L1153 R1159 | R1152-T1155 PolarHBondContact O-N 3.42Å; R1152-T1155 PolarHBondContact O-OG1 2.61Å; L1153-T1155 PolarHBondContact O-N 3.1Å; T1155-R1159 WeakPolarHBondContact O-CB 3.23Å; T1155-R1159 PolarHBondContact O-N 3.25Å |
| 1156 | L | 83.7 | Confident | 77.7 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.8 | -39.7 | 174.8 | -66.6 | 170.3 | 0 | 0 | 0 | 111.3 | L1118 E1119 F1130 Y1151 R1152 L1153 P1154 N1160 | L1118-L1156 HydrophobicContact CB-CD1 3.81Å; E1119-L1156 HydrophobicContact CG-CD1 3.98Å; F1130-L1156 HydrophobicContact CZ-CB 4.29Å; Y1151-L1156 WeakPolarHBondContact O-CD1 3.46Å; R1152-L1156 HydrophobicContact CB-CD1 4.42Å; R1152-L1156 PolarHBondContact O-N 2.88Å; R1152-L1156 VanDerWaalsContact O-N 3.17Å; L1153-L1156 PolarHBondContact O-N 3.34Å; P1154-L1156 VanDerWaalsContact C-N 3.33Å; P1154-L1156 PolarHBondContact O-N 2.98Å; L1156-N1160 PolarHBondContact O-N 2.96Å; L1156-N1160 VanDerWaalsContact O-N 3.16Å; L1156-N1160 PolarHBondContact O-ND2 2.98Å |
| 1157 | L | 84.4 | Confident | 77 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 171.1 | -74.9 | 168.5 | 0 | 0 | 0 | 110.4 | F1130 L1153 P1154 N1160 L1161 V1205 M1208 L1212 I1312 | F1130-L1157 HydrophobicContact CD1-CD2 4.18Å; F1130-L1157 HydrophobicContact CE1-CD2 3.65Å; F1130-L1157 HydrophobicContact CE1-CG 4.16Å; F1130-L1157 HydrophobicContact CZ-CD2 4.48Å; L1153-L1157 HydrophobicContact CD1-CD1 3.92Å; L1153-L1157 HydrophobicContact CD1-CD2 4.38Å; L1153-L1157 HydrophobicContact CD1-CG 3.8Å; L1153-L1157 HydrophobicContact CD2-CD1 4.28Å; L1153-L1157 HydrophobicContact CG-CD1 3.77Å; L1153-L1157 HydrophobicContact CG-CG 4.14Å; L1153-L1157 WeakPolarHBondContact O-CB 3.47Å; L1153-L1157 WeakPolarHBondContact O-CG 3.41Å; L1153-L1157 PolarHBondContact O-N 2.97Å; P1154-L1157 PolarHBondContact O-N 3.45Å; L1157-N1160 PolarHBondContact O-N 2.75Å; L1157-L1161 HydrophobicContact CB-CD1 4.26Å; L1157-L1161 VanDerWaalsContact O-CB 3.23Å; L1157-L1161 WeakPolarHBondContact O-CB 3.39Å; L1157-L1161 WeakPolarHBondContact O-CD1 3.45Å; L1157-L1161 WeakPolarHBondContact O-CG 3.43Å; L1157-L1161 PolarHBondContact O-N 3.34Å; L1157-V1205 HydrophobicContact CD2-CG1 4.31Å; L1157-M1208 HydrophobicContact CD2-CB 4.47Å; L1157-M1208 HydrophobicContact CD2-CG 4.07Å; L1157-L1212 HydrophobicContact CD1-CD1 3.55Å; L1157-I1312 HydrophobicContact CD1-CD1 3.96Å |
| 1158 | E | 81.6 | Confident | 76 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -45.8 | 179.5 | -157.2 | -148.6 | -158.8 | 0 | 0 | 112.7 | P1154 N1160 L1161 K1162 G1308 | P1154-E1158 PolarHBondContact O-N 2.98Å; E1158-N1160 VanDerWaalsContact C-N 3.3Å; E1158-N1160 PolarHBondContact O-N 3.12Å; E1158-L1161 PolarHBondContact O-N 2.94Å; E1158-K1162 HydrophobicContact CG-CD 4.27Å; E1158-K1162 WeakPolarHBondContact O-CB 3.28Å; E1158-K1162 WeakPolarHBondContact O-CG 3.42Å; E1158-K1162 PolarHBondContact O-N 3.36Å; E1158-K1162 WeakPolarHBondContact OE1-CE 3.17Å; E1158-K1162 IonicContact OE1-NZ 3.29Å; E1158-K1162 PolarHBondContact OE1-NZ 3.39Å; E1158-K1162 WeakPolarHBondContact OE2-CE 3.29Å; E1158-K1162 IonicContact OE2-NZ 3.82Å; E1158-K1162 PolarHBondContact OE2-NZ 2.92Å; E1158-G1308 VanDerWaalsContact CB-O 3.31Å; E1158-G1308 WeakPolarHBondContact CB-O 3.16Å |
| 1159 | R | 82.2 | Confident | 74.8 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 43% | 0.434 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.8 | -46.6 | 175.4 | 179.5 | 173.9 | 69.2 | 136.1 | -7.6 | 111.8 | T1155 | T1155-R1159 WeakPolarHBondContact O-CB 3.23Å; T1155-R1159 PolarHBondContact O-N 3.25Å |
| 1160 | N | 83 | Confident | 73.6 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -80 | -35.2 | -177.4 | -65.2 | -76 | 0 | 0 | 0 | 112.3 | R1126 L1156 L1157 E1158 K1162 A1163 T1164 V1205 | R1126-N1160 PolarHBondContact NH1-OD1 3.03Å; L1156-N1160 PolarHBondContact O-N 2.96Å; L1156-N1160 VanDerWaalsContact O-N 3.16Å; L1156-N1160 PolarHBondContact O-ND2 2.98Å; L1157-N1160 PolarHBondContact O-N 2.75Å; E1158-N1160 VanDerWaalsContact C-N 3.3Å; E1158-N1160 PolarHBondContact O-N 3.12Å; N1160-K1162 VanDerWaalsContact C-N 3.34Å; N1160-K1162 PolarHBondContact O-N 2.9Å; N1160-A1163 CarbonylContact O-C 3.49Å; N1160-A1163 WeakPolarHBondContact O-CA 3.47Å; N1160-A1163 WeakPolarHBondContact O-CB 3.49Å; N1160-A1163 PolarHBondContact O-N 2.88Å; N1160-A1163 VanDerWaalsContact O-N 3.12Å; N1160-T1164 VanDerWaalsContact O-CG2 3.27Å; N1160-T1164 WeakPolarHBondContact O-CG2 3.48Å; N1160-T1164 PolarHBondContact O-N 3.31Å; N1160-V1205 HydrophobicContact CB-CB 4.44Å; N1160-V1205 HydrophobicContact CB-CG1 3.94Å; N1160-V1205 HydrophobicContact CB-CG2 3.87Å |
| 1161 | L | 78.4 | Confident | 72.2 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70 | -26.7 | 175.3 | -71.2 | 165.4 | 0 | 0 | 0 | 113.1 | L1157 E1158 T1164 R1165 V1205 T1206 A1209 P1311 I1312 | L1157-L1161 HydrophobicContact CB-CD1 4.26Å; L1157-L1161 VanDerWaalsContact O-CB 3.23Å; L1157-L1161 WeakPolarHBondContact O-CB 3.39Å; L1157-L1161 WeakPolarHBondContact O-CD1 3.45Å; L1157-L1161 WeakPolarHBondContact O-CG 3.43Å; L1157-L1161 PolarHBondContact O-N 3.34Å; E1158-L1161 PolarHBondContact O-N 2.94Å; L1161-T1164 WeakPolarHBondContact CA-OG1 3.48Å; L1161-T1164 HydrophobicContact CD2-CG2 4.46Å; L1161-T1164 PolarHBondContact O-N 3.08Å; L1161-T1164 PolarHBondContact O-OG1 3.48Å; L1161-R1165 PolarHBondContact O-N 3.16Å; L1161-V1205 HydrophobicContact CD2-CG1 3.69Å; L1161-V1205 HydrophobicContact CG-CG1 3.62Å; L1161-T1206 HydrophobicContact CD2-CG2 4.03Å; L1161-A1209 HydrophobicContact CD1-CB 4.12Å; L1161-A1209 HydrophobicContact CD2-CB 4.36Å; L1161-P1311 HydrophobicContact CB-CB 4.35Å; L1161-P1311 HydrophobicContact CB-CG 3.86Å; L1161-P1311 HydrophobicContact CD1-CB 4.16Å; L1161-P1311 HydrophobicContact CD1-CG 4.29Å; L1161-I1312 HydrophobicContact CD1-CD1 4.48Å; L1161-I1312 HydrophobicContact CD1-CG1 4.35Å |
| 1162 | K | 75.6 | Confident | 70.6 | Confident | 106 Ų | 106 | 54.1 Ų | 54.1 | 46% | 0.461 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 166.4 | -77.5 | 170.4 | 174.9 | 167.7 | 0 | 110.5 | E1158 N1160 T1164 R1165 T1166 | E1158-K1162 HydrophobicContact CG-CD 4.27Å; E1158-K1162 WeakPolarHBondContact O-CB 3.28Å; E1158-K1162 WeakPolarHBondContact O-CG 3.42Å; E1158-K1162 PolarHBondContact O-N 3.36Å; E1158-K1162 WeakPolarHBondContact OE1-CE 3.17Å; E1158-K1162 IonicContact OE1-NZ 3.29Å; E1158-K1162 PolarHBondContact OE1-NZ 3.39Å; E1158-K1162 WeakPolarHBondContact OE2-CE 3.29Å; E1158-K1162 IonicContact OE2-NZ 3.82Å; E1158-K1162 PolarHBondContact OE2-NZ 2.92Å; N1160-K1162 VanDerWaalsContact C-N 3.34Å; N1160-K1162 PolarHBondContact O-N 2.9Å; K1162-T1164 PolarHBondContact O-N 3.24Å; K1162-R1165 WeakPolarHBondContact O-CB 3.36Å; K1162-R1165 PolarHBondContact O-N 2.88Å; K1162-T1166 PolarHBondContact O-N 3.33Å |
| 1163 | A | 67.3 | Low | 68.7 | Low | 48 Ų | 48 | 49.8 Ų | 49.8 | 40% | 0.397 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.5 | -27.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1160 R1165 T1166 L1167 | N1160-A1163 CarbonylContact O-C 3.49Å; N1160-A1163 WeakPolarHBondContact O-CA 3.47Å; N1160-A1163 WeakPolarHBondContact O-CB 3.49Å; N1160-A1163 PolarHBondContact O-N 2.88Å; N1160-A1163 VanDerWaalsContact O-N 3.12Å; A1163-R1165 VanDerWaalsContact C-N 3.26Å; A1163-R1165 PolarHBondContact O-N 2.97Å; A1163-T1166 PolarHBondContact O-OG1 2.85Å; A1163-L1167 PolarHBondContact O-N 3.02Å |
| 1164 | T | 66.5 | Low | 66.5 | Low | 12 Ų | 12 | 52.6 Ų | 52.6 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.6 | -21.1 | 172 | 75.5 | 0 | 0 | 0 | 0 | 112.9 | N1160 L1161 K1162 N1168 A1202 T1206 | N1160-T1164 VanDerWaalsContact O-CG2 3.27Å; N1160-T1164 WeakPolarHBondContact O-CG2 3.48Å; N1160-T1164 PolarHBondContact O-N 3.31Å; L1161-T1164 WeakPolarHBondContact CA-OG1 3.48Å; L1161-T1164 HydrophobicContact CD2-CG2 4.46Å; L1161-T1164 PolarHBondContact O-N 3.08Å; L1161-T1164 PolarHBondContact O-OG1 3.48Å; K1162-T1164 PolarHBondContact O-N 3.24Å; T1164-N1168 WeakPolarHBondContact O-CB 3.45Å; T1164-N1168 PolarHBondContact O-N 3.38Å; T1164-A1202 VanDerWaalsContact CG2-CA 3.45Å; T1164-A1202 HydrophobicContact CG2-CB 3.36Å; T1164-T1206 HydrophobicContact CG2-CG2 4.37Å |
| 1165 | R | 64.8 | Low | 64.4 | Low | 110 Ų | 110 | 56 Ų | 56 | 42% | 0.415 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.1 | -42.3 | 174.4 | -72.8 | 174.6 | 172.6 | -175.9 | -5.2 | 112 | L1161 K1162 A1163 L1167 N1168 H1169 | L1161-R1165 PolarHBondContact O-N 3.16Å; K1162-R1165 WeakPolarHBondContact O-CB 3.36Å; K1162-R1165 PolarHBondContact O-N 2.88Å; A1163-R1165 VanDerWaalsContact C-N 3.26Å; A1163-R1165 PolarHBondContact O-N 2.97Å; R1165-L1167 PolarHBondContact O-N 3.47Å; R1165-N1168 PolarHBondContact O-N 2.85Å; R1165-N1168 VanDerWaalsContact O-N 3.09Å; R1165-H1169 PolarHBondContact O-CD2 2.98Å; R1165-H1169 PolarHBondContact O-N 3.48Å |
| 1166 | T | 63.8 | Low | 62.1 | Low | 68 Ų | 68 | 56.8 Ų | 56.8 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67 | -25 | 174.7 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | K1162 A1163 R1170 | K1162-T1166 PolarHBondContact O-N 3.33Å; A1163-T1166 PolarHBondContact O-OG1 2.85Å; T1166-R1170 PolarHBondContact O-NE 3.01Å; T1166-R1170 PolarHBondContact O-NH2 3.14Å |
| 1167 | L | 61.7 | Low | 59.6 | Low | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.1 | -50.5 | 163.9 | -77.8 | 166.2 | 0 | 0 | 0 | 111.8 | W565 A1163 R1165 H1169 R1170 Y1171 E1194 V1199 A1202 | W565-L1167 HydrophobicContact CZ2-CB 4.49Å; A1163-L1167 PolarHBondContact O-N 3.02Å; R1165-L1167 PolarHBondContact O-N 3.47Å; L1167-H1169 VanDerWaalsContact C-N 3.35Å; L1167-H1169 PolarHBondContact O-N 3Å; L1167-R1170 PolarHBondContact O-N 3.15Å; L1167-Y1171 HydrophobicContact CB-CD2 4.49Å; L1167-Y1171 HydrophobicContact CD2-CD2 3.99Å; L1167-Y1171 HydrophobicContact CD2-CE2 3.63Å; L1167-Y1171 WeakPolarHBondContact O-CD2 3.47Å; L1167-Y1171 PolarHBondContact O-N 3.18Å; L1167-E1194 WeakPolarHBondContact CD2-OE2 3.49Å; L1167-V1199 HydrophobicContact CD2-CG2 3.89Å; L1167-A1202 HydrophobicContact CD1-CB 3.57Å |
| 1168 | N | 58.3 | Low | 57.3 | Low | 52 Ų | 52 | 64.4 Ų | 64.4 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.2 | -42.3 | -177.8 | -112.7 | 12.4 | 0 | 0 | 0 | 113.6 | W565 T1164 R1165 N1172 | W565-N1168 VanDerWaalsContact CZ2-OD1 3.3Å; W565-N1168 WeakPolarHBondContact CZ2-OD1 3.34Å; W565-N1168 PolarHBondContact NE1-OD1 3.32Å; T1164-N1168 WeakPolarHBondContact O-CB 3.45Å; T1164-N1168 PolarHBondContact O-N 3.38Å; R1165-N1168 PolarHBondContact O-N 2.85Å; R1165-N1168 VanDerWaalsContact O-N 3.09Å; N1168-N1172 WeakPolarHBondContact O-CB 3.44Å; N1168-N1172 PolarHBondContact O-N 3.48Å; N1168-N1172 PolarHBondContact O-ND2 3.48Å; N1168-N1172 VanDerWaalsContact O-ND2 3.14Å |
| 1169 | H | 55 | Low | 54.8 | Low | 124 Ų | 124 | 67.3 Ų | 67.3 | 57% | 0.574 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.8 | -61.9 | 174.3 | -72.4 | -71.1 | 0 | 0 | 0 | 110.2 | R1165 L1167 Y1171 N1172 D1173 | R1165-H1169 PolarHBondContact O-CD2 2.98Å; R1165-H1169 PolarHBondContact O-N 3.48Å; L1167-H1169 VanDerWaalsContact C-N 3.35Å; L1167-H1169 PolarHBondContact O-N 3Å; H1169-Y1171 VanDerWaalsContact C-N 3.28Å; H1169-Y1171 PolarHBondContact O-N 3.46Å; H1169-Y1171 VanDerWaalsContact O-N 3.1Å; H1169-N1172 PolarHBondContact O-N 3.36Å; H1169-D1173 VanDerWaalsContact C-OD2 3.25Å; H1169-D1173 WeakPolarHBondContact O-CB 3.35Å; H1169-D1173 PolarHBondContact O-N 2.71Å; H1169-D1173 VanDerWaalsContact O-OD2 3.04Å |
| 1170 | R | 52.9 | Low | 52.2 | Low | 118 Ų | 118 | 66.7 Ų | 66.7 | 45% | 0.445 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56 | -34.4 | -177.7 | -76 | 178.8 | -73.2 | -173.4 | -0.4 | 114.8 | T1166 L1167 A1174 E1194 | T1166-R1170 PolarHBondContact O-NE 3.01Å; T1166-R1170 PolarHBondContact O-NH2 3.14Å; L1167-R1170 PolarHBondContact O-N 3.15Å; R1170-A1174 VanDerWaalsContact O-CB 3.27Å; R1170-A1174 WeakPolarHBondContact O-CB 3.43Å; R1170-A1174 PolarHBondContact O-N 3.35Å; R1170-A1174 VanDerWaalsContact O-N 3.15Å; R1170-E1194 IonicContact CZ-OE1 2.59Å; R1170-E1194 IonicContact CZ-OE2 2.87Å; R1170-E1194 IonicContact NH1-OE1 3.64Å; R1170-E1194 IonicContact NH1-OE2 3.7Å; R1170-E1194 IonicContact NH2-OE1 3.41Å; R1170-E1194 PolarHBondContact NH2-OE1 3.26Å; R1170-E1194 IonicContact NH2-OE2 2.7Å; R1170-E1194 PolarHBondContact NH2-OE2 3.27Å |
| 1171 | Y | 51 | Low | 49.6 | Very low | 37 Ų | 37 | 73.6 Ų | 73.6 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -85.1 | -24.5 | 177.9 | -81.5 | -77.4 | 0 | 0 | 0 | 114.5 | I561 A562 L1167 H1169 F1175 V1199 | I561-Y1171 HydrophobicContact CG2-CE1 4.3Å; I561-Y1171 WeakPolarHBondContact CG2-OH 3.48Å; A562-Y1171 HydrophobicContact CB-CD1 3.53Å; A562-Y1171 HydrophobicContact CB-CE1 3.69Å; L1167-Y1171 HydrophobicContact CB-CD2 4.49Å; L1167-Y1171 HydrophobicContact CD2-CD2 3.99Å; L1167-Y1171 HydrophobicContact CD2-CE2 3.63Å; L1167-Y1171 WeakPolarHBondContact O-CD2 3.47Å; L1167-Y1171 PolarHBondContact O-N 3.18Å; H1169-Y1171 VanDerWaalsContact C-N 3.28Å; H1169-Y1171 PolarHBondContact O-N 3.46Å; H1169-Y1171 VanDerWaalsContact O-N 3.1Å; Y1171-F1175 PolarHBondContact O-N 2.99Å; Y1171-V1199 HydrophobicContact CE2-CG2 4.2Å |
| 1172 | N | 45.4 | Very low | 47 | Very low | 39 Ų | 39 | 74.3 Ų | 74.3 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -77.4 | -42.8 | 170 | -69.1 | -19.2 | 0 | 0 | 0 | 110.7 | N571 N1168 H1169 A1174 F1175 D1176 | N571-N1172 PolarHBondContact ND2-ND2 3.24Å; N571-N1172 VanDerWaalsContact ND2-ND2 3.11Å; N571-N1172 PolarHBondContact ND2-OD1 3.36Å; N1168-N1172 WeakPolarHBondContact O-CB 3.44Å; N1168-N1172 PolarHBondContact O-N 3.48Å; N1168-N1172 PolarHBondContact O-ND2 3.48Å; N1168-N1172 VanDerWaalsContact O-ND2 3.14Å; H1169-N1172 PolarHBondContact O-N 3.36Å; N1172-A1174 VanDerWaalsContact C-N 3.25Å; N1172-A1174 PolarHBondContact O-N 2.92Å; N1172-F1175 CarbonylContact O-C 3.51Å; N1172-F1175 WeakPolarHBondContact O-CA 3.34Å; N1172-F1175 PolarHBondContact O-N 3.19Å; N1172-D1176 PolarHBondContact O-N 2.75Å |
| 1173 | D | 40.9 | Very low | 44.7 | Very low | 60 Ų | 60 | 71.7 Ų | 71.7 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.1 | -46.3 | 171.8 | -57.3 | -28.3 | 0 | 0 | 0 | 109.3 | H1169 F1175 Y1177 | H1169-D1173 VanDerWaalsContact C-OD2 3.25Å; H1169-D1173 WeakPolarHBondContact O-CB 3.35Å; H1169-D1173 PolarHBondContact O-N 2.71Å; H1169-D1173 VanDerWaalsContact O-OD2 3.04Å; D1173-F1175 PolarHBondContact O-N 3.3Å; D1173-Y1177 WeakPolarHBondContact O-CB 3.26Å; D1173-Y1177 VanDerWaalsContact O-CD2 3.23Å; D1173-Y1177 WeakPolarHBondContact O-CD2 3.24Å; D1173-Y1177 PolarHBondContact O-N 2.95Å; D1173-Y1177 VanDerWaalsContact O-N 3.13Å |
| 1174 | A | 39.1 | Very low | 42.8 | Very low | 62 Ų | 62 | 75.4 Ų | 75.4 | 51% | 0.512 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.6 | -13.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1170 N1172 | R1170-A1174 VanDerWaalsContact O-CB 3.27Å; R1170-A1174 WeakPolarHBondContact O-CB 3.43Å; R1170-A1174 PolarHBondContact O-N 3.35Å; R1170-A1174 VanDerWaalsContact O-N 3.15Å; N1172-A1174 VanDerWaalsContact C-N 3.25Å; N1172-A1174 PolarHBondContact O-N 2.92Å |
| 1175 | F | 34.6 | Very low | 40.9 | Very low | 76 Ų | 76 | 81 Ų | 81 | 33% | 0.333 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -99.1 | -45.2 | 176.1 | -109.3 | -80.7 | 0 | 0 | 0 | 112.3 | A562 Y1171 N1172 D1173 Y1177 S1178 | A562-F1175 HydrophobicContact CB-CE2 3.98Å; Y1171-F1175 PolarHBondContact O-N 2.99Å; N1172-F1175 CarbonylContact O-C 3.51Å; N1172-F1175 WeakPolarHBondContact O-CA 3.34Å; N1172-F1175 PolarHBondContact O-N 3.19Å; D1173-F1175 PolarHBondContact O-N 3.3Å; F1175-Y1177 PolarHBondContact O-N 3.25Å; F1175-S1178 VanDerWaalsContact O-CB 3.32Å; F1175-S1178 WeakPolarHBondContact O-CB 3.41Å; F1175-S1178 PolarHBondContact O-N 3.21Å; F1175-S1178 PolarHBondContact O-OG 2.88Å |
| 1176 | D | 33.1 | Very low | 39.2 | Very low | 80 Ų | 80 | 79.9 Ų | 79.9 | 43% | 0.428 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.8 | -33.4 | -179.8 | -71.3 | -31.8 | 0 | 0 | 0 | 111.6 | N1172 S1178 L1179 | N1172-D1176 PolarHBondContact O-N 2.75Å; D1176-S1178 PolarHBondContact O-N 3.23Å; D1176-S1178 VanDerWaalsContact O-N 3.15Å; D1176-L1179 PolarHBondContact O-N 3.23Å |
| 1177 | Y | 33 | Very low | 37.4 | Very low | 98 Ų | 98 | 79.9 Ų | 79.9 | 38% | 0.384 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.6 | 168.6 | -86.5 | -100.7 | 0 | 0 | 0 | 113.7 | D1173 F1175 S1183 N1184 | D1173-Y1177 WeakPolarHBondContact O-CB 3.26Å; D1173-Y1177 VanDerWaalsContact O-CD2 3.23Å; D1173-Y1177 WeakPolarHBondContact O-CD2 3.24Å; D1173-Y1177 PolarHBondContact O-N 2.95Å; D1173-Y1177 VanDerWaalsContact O-N 3.13Å; F1175-Y1177 PolarHBondContact O-N 3.25Å; Y1177-S1183 PolarHBondContact OH-O 3.38Å; Y1177-N1184 PolarHBondContact OH-O 3.39Å |
| 1178 | S | 34.5 | Very low | 35.6 | Very low | 75 Ų | 75 | 84.3 Ų | 84.3 | 52% | 0.524 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10.4 | -177.5 | 79.7 | 0 | 0 | 0 | 0 | 115 | F1175 D1176 | F1175-S1178 VanDerWaalsContact O-CB 3.32Å; F1175-S1178 WeakPolarHBondContact O-CB 3.41Å; F1175-S1178 PolarHBondContact O-N 3.21Å; F1175-S1178 PolarHBondContact O-OG 2.88Å; D1176-S1178 PolarHBondContact O-N 3.23Å; D1176-S1178 VanDerWaalsContact O-N 3.15Å |
| 1179 | L | 30.2 | Very low | 34.1 | Very low | 114 Ų | 114 | 87.6 Ų | 87.6 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | -19.2 | 171.3 | -87.7 | 88.7 | 0 | 0 | 0 | 114.4 | N574 D1176 | N574-L1179 HydrophobicContact CB-CD2 4.49Å; D1176-L1179 PolarHBondContact O-N 3.23Å |
| 1180 | T | 27.2 | Very low | 32.7 | Very low | 102 Ų | 102 | 84.6 Ų | 84.6 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -136.8 | 108.2 | 175.2 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1181 | K | 27.8 | Very low | 31.4 | Very low | 151 Ų | 151 | 84.3 Ų | 84.3 | 66% | 0.657 | 49% | 0.494 | S | S | * | . | trans | 33.2 | 97.2 | 154.4 | -69.7 | 177.8 | 178.7 | 170.3 | 0 | 117.2 | ||||
| 1182 | S | 23.8 | Very low | 30.4 | Very low | 23 Ų | 23 | 88.9 Ų | 88.9 | 16% | 0.161 | 52% | 0.521 | C | S | . | . | 42.1 | 124.9 | 122.2 | 65 | 0 | 0 | 0 | 0 | 119.5 | D90 | D90-S1182 VanDerWaalsContact OD1-CA 3.32Å; D90-S1182 WeakPolarHBondContact OD1-CA 3.2Å; D90-S1182 WeakPolarHBondContact OD1-CB 3.28Å; D90-S1182 WeakPolarHBondContact OD2-CB 3.48Å | |||
| 1183 | S | 27.2 | Very low | 30.1 | Very low | 52 Ų | 52 | 93.4 Ų | 93.4 | 36% | 0.364 | 55% | 0.55 | S | S | . | . | trans | 93.6 | 129.4 | 158.7 | 79.9 | 0 | 0 | 0 | 0 | 121.3 | Y1177 | Y1177-S1183 PolarHBondContact OH-O 3.38Š| ||
| 1184 | N | 27.1 | Very low | 30.5 | Very low | 125 Ų | 125 | 93.4 Ų | 93.4 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | trans | 87.1 | 78.2 | 158.2 | -40.5 | -70 | 0 | 0 | 0 | 120.3 | Y1177 | Y1177-N1184 PolarHBondContact OH-O 3.39Š| ||
| 1185 | I | 28.5 | Very low | 31.5 | Very low | 131 Ų | 131 | 93 Ų | 93 | 67% | 0.672 | 54% | 0.541 | S | S | * | . | -125.6 | 133 | 129.7 | -64.6 | -174.1 | 0 | 0 | 0 | 108.8 | |||||
| 1186 | S | 27.9 | Very low | 32.9 | Very low | 85 Ų | 85 | 91.2 Ų | 91.2 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | trans | -79.1 | 144.8 | -167 | 53.1 | 0 | 0 | 0 | 0 | 115 | S1188 | S1186-S1188 PolarHBondContact O-N 3.38Š| ||
| 1187 | S | 25.4 | Very low | 34.5 | Very low | 69 Ų | 69 | 87.6 Ų | 87.6 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | trans | -73.6 | 89.4 | 177.7 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | T79 | T79-S1187 WeakPolarHBondContact CB-OG 3.3Å; T79-S1187 PolarHBondContact O-OG 3.15Å; T79-S1187 PolarHBondContact OG1-OG 3.09Å | ||
| 1188 | S | 25.4 | Very low | 36.4 | Very low | 97 Ų | 97 | 84.6 Ų | 84.6 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | trans | -100.8 | 117.2 | 170.9 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | S1186 | S1186-S1188 PolarHBondContact O-N 3.38Š| ||
| 1189 | S | 26.1 | Very low | 38 | Very low | 121 Ų | 121 | 81.5 Ų | 81.5 | 85% | 0.846 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 46.8 | 112.9 | 157.9 | 60.5 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1190 | G | 25.2 | Very low | 40.1 | Very low | 62 Ų | 62 | 76.4 Ų | 76.4 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | trans | 128.7 | 135.8 | 149 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1192 | G1190-N1192 PolarHBondContact O-N 3.06Š| ||
| 1191 | Q | 26.3 | Very low | 42.6 | Very low | 112 Ų | 112 | 72.2 Ų | 72.2 | 52% | 0.523 | 43% | 0.434 | S | S | . | . | trans | -60.5 | 126.8 | 155 | -68.7 | 164.3 | -43.6 | 0 | 0 | 107.8 | D8 | D8-Q1191 VanDerWaalsContact CG-NE2 3.34Å; D8-Q1191 WeakPolarHBondContact OD1-CG 3.49Å; D8-Q1191 PolarHBondContact OD1-NE2 2.88Å; D8-Q1191 WeakPolarHBondContact OD2-CG 3.35Å; D8-Q1191 PolarHBondContact OD2-NE2 3.25Å | ||
| 1192 | N | 30.5 | Very low | 44.9 | Very low | 133 Ų | 133 | 65.1 Ų | 65.1 | 71% | 0.711 | 40% | 0.404 | S | S | * | . | trans | 175.9 | 87.1 | 149.5 | -92.8 | -41.3 | 0 | 0 | 0 | 108.4 | G1190 E1194 | G1190-N1192 PolarHBondContact O-N 3.06Å; N1192-E1194 HydrophobicContact CB-CG 4.36Å; N1192-E1194 PolarHBondContact O-N 2.8Å | ||
| 1193 | T | 38.6 | Very low | 47.3 | Very low | 134 Ų | 134 | 64.1 Ų | 64.1 | 82% | 0.822 | 40% | 0.397 | S | S | * | . | trans | -64.1 | 90.3 | 151.7 | 47.9 | 0 | 0 | 0 | 0 | 106.3 | S1195 | T1193-S1195 PolarHBondContact O-N 3.36Š| ||
| 1194 | E | 50.2 | Low | 49.8 | Very low | 60 Ų | 60 | 61.7 Ų | 61.7 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | trans | -52.9 | 114.4 | -170.2 | -81.2 | -177.9 | 161.2 | 0 | 0 | 109.8 | L1167 R1170 N1192 | L1167-E1194 WeakPolarHBondContact CD2-OE2 3.49Å; R1170-E1194 IonicContact CZ-OE1 2.59Å; R1170-E1194 IonicContact CZ-OE2 2.87Å; R1170-E1194 IonicContact NH1-OE1 3.64Å; R1170-E1194 IonicContact NH1-OE2 3.7Å; R1170-E1194 IonicContact NH2-OE1 3.41Å; R1170-E1194 PolarHBondContact NH2-OE1 3.26Å; R1170-E1194 IonicContact NH2-OE2 2.7Å; R1170-E1194 PolarHBondContact NH2-OE2 3.27Å; N1192-E1194 HydrophobicContact CB-CG 4.36Å; N1192-E1194 PolarHBondContact O-N 2.8Å | ||
| 1195 | S | 59.9 | Low | 52.5 | Low | 53 Ų | 53 | 55.7 Ų | 55.7 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | trans | -60.6 | 150.6 | -164.2 | 68.8 | 0 | 0 | 0 | 0 | 110.1 | T1193 C1197 T1198 | T1193-S1195 PolarHBondContact O-N 3.36Å; S1195-C1197 PolarHBondContact O-N 3.1Å; S1195-T1198 PolarHBondContact O-N 3.21Å; S1195-T1198 PolarHBondContact O-OG1 3.27Å | ||
| 1196 | P | 63.2 | Low | 54.8 | Low | 38 Ų | 38 | 50.8 Ų | 50.8 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.8 | -26.6 | -173.9 | -23.6 | 32.8 | 0 | 0 | 0 | 112.8 | F554 I561 T1198 V1199 Y1200 | F554-P1196 HydrophobicContact CD1-CB 3.54Å; F554-P1196 HydrophobicContact CD1-CG 4.49Å; F554-P1196 HydrophobicContact CE1-CB 3.14Å; F554-P1196 HydrophobicContact CE1-CG 4.42Å; F554-P1196 HydrophobicContact CE2-CB 4.29Å; F554-P1196 HydrophobicContact CG-CB 4.34Å; F554-P1196 HydrophobicContact CZ-CB 3.57Å; F554-P1196 WeakPolarHBondContact CZ-O 3.21Å; I561-P1196 HydrophobicContact CD1-CB 4Å; I561-P1196 HydrophobicContact CD1-CG 4.15Å; P1196-T1198 VanDerWaalsContact C-N 3.31Å; P1196-T1198 PolarHBondContact O-N 2.96Å; P1196-V1199 PolarHBondContact O-N 2.67Å; P1196-Y1200 PolarHBondContact O-N 3.19Å; P1196-Y1200 VanDerWaalsContact O-N 3.08Å |
| 1197 | C | 66.8 | Low | 57.3 | Low | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -25.9 | 172.5 | -49.9 | 0 | 0 | 0 | 0 | 115.1 | D549 A1123 M1124 S1195 L1201 | D549-C1197 PolarHBondContact OD2-SG 3.01Å; A1123-C1197 HydrophobicContact CB-CB 4.38Å; M1124-C1197 HydrophobicContact CB-CB 4.41Å; M1124-C1197 HydrophobicContact CE-CB 3.97Å; M1124-C1197 VanDerWaalsContact CE-SG 3.52Å; S1195-C1197 PolarHBondContact O-N 3.1Å; C1197-L1201 VanDerWaalsContact O-CB 3.25Å; C1197-L1201 WeakPolarHBondContact O-CB 3.47Å; C1197-L1201 PolarHBondContact O-N 3.05Å |
| 1198 | T | 71.8 | Confident | 60.1 | Low | 35 Ų | 35 | 43.5 Ų | 43.5 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.8 | -39.2 | 174.6 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | S1195 P1196 L1201 A1202 | S1195-T1198 PolarHBondContact O-N 3.21Å; S1195-T1198 PolarHBondContact O-OG1 3.27Å; P1196-T1198 VanDerWaalsContact C-N 3.31Å; P1196-T1198 PolarHBondContact O-N 2.96Å; T1198-L1201 WeakPolarHBondContact O-CB 3.46Å; T1198-L1201 PolarHBondContact O-N 2.81Å; T1198-A1202 WeakPolarHBondContact O-CB 3.25Å; T1198-A1202 PolarHBondContact O-N 3.14Å |
| 1199 | V | 68.7 | Low | 62.8 | Low | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.4 | -38.4 | 175.3 | -168.2 | 0 | 0 | 0 | 0 | 110.3 | I561 W565 L1167 Y1171 P1196 A1202 A1203 | I561-V1199 HydrophobicContact CG2-CB 3.92Å; I561-V1199 HydrophobicContact CG2-CG1 3.77Å; I561-V1199 HydrophobicContact CG2-CG2 3.73Å; W565-V1199 HydrophobicContact CD2-CG1 4.15Å; W565-V1199 HydrophobicContact CE3-CG1 3.57Å; W565-V1199 HydrophobicContact CZ3-CG1 4.21Å; L1167-V1199 HydrophobicContact CD2-CG2 3.89Å; Y1171-V1199 HydrophobicContact CE2-CG2 4.2Å; P1196-V1199 PolarHBondContact O-N 2.67Å; V1199-A1202 WeakPolarHBondContact O-CB 3.42Å; V1199-A1202 PolarHBondContact O-N 3.41Å; V1199-A1203 PolarHBondContact O-N 2.74Å |
| 1200 | Y | 73.9 | Confident | 65.2 | Low | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 170.7 | 179.2 | -112.3 | 0 | 0 | 0 | 112.8 | A542 Y545 F554 M1124 A1127 K1128 P1196 A1202 A1203 C1204 | A542-Y1200 WeakPolarHBondContact O-CE2 3.37Å; A542-Y1200 PolarHBondContact O-OH 3.48Å; Y545-Y1200 AromaticContact CD2-CD2 3.58Å; Y545-Y1200 HydrophobicContact CD2-CD2 3.58Å; Y545-Y1200 AromaticContact CD2-CE2 3.74Å; Y545-Y1200 HydrophobicContact CD2-CE2 3.74Å; Y545-Y1200 HydrophobicContact CE2-CD2 4.14Å; Y545-Y1200 AromaticContact CG-CD2 3.86Å; Y545-Y1200 HydrophobicContact CG-CD2 3.86Å; Y545-Y1200 HydrophobicContact CG-CE2 4.01Å; F554-Y1200 HydrophobicContact CE2-CG 4.44Å; M1124-Y1200 HydrophobicContact CE-CD1 3.99Å; M1124-Y1200 HydrophobicContact SD-CD1 3.72Å; M1124-Y1200 HydrophobicContact SD-CE1 3.75Å; A1127-Y1200 HydrophobicContact CB-CD1 3.5Å; A1127-Y1200 VanDerWaalsContact CB-CD1 3.5Å; A1127-Y1200 HydrophobicContact CB-CE1 3.55Å; K1128-Y1200 HydrophobicContact CG-CE1 4.19Å; P1196-Y1200 PolarHBondContact O-N 3.19Å; P1196-Y1200 VanDerWaalsContact O-N 3.08Å; Y1200-A1202 VanDerWaalsContact C-N 3.3Å; Y1200-A1202 PolarHBondContact O-N 2.96Å; Y1200-A1203 PolarHBondContact O-N 3.04Å; Y1200-C1204 PolarHBondContact O-N 3.45Å |
| 1201 | L | 80.5 | Confident | 67.8 | Low | 13 Ų | 13 | 31.2 Ų | 31.2 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 170.8 | 172 | 62.6 | 0 | 0 | 0 | 111.5 | A1123 R1126 A1127 F1130 C1197 T1198 A1203 C1204 V1205 | A1123-L1201 HydrophobicContact CB-CD2 4.02Å; R1126-L1201 HydrophobicContact CB-CD1 3.79Å; A1127-L1201 HydrophobicContact CB-CB 3.97Å; A1127-L1201 HydrophobicContact CB-CD1 4.07Å; F1130-L1201 HydrophobicContact CD2-CD1 3.9Å; F1130-L1201 HydrophobicContact CE2-CD1 4.18Å; C1197-L1201 VanDerWaalsContact O-CB 3.25Å; C1197-L1201 WeakPolarHBondContact O-CB 3.47Å; C1197-L1201 PolarHBondContact O-N 3.05Å; T1198-L1201 WeakPolarHBondContact O-CB 3.46Å; T1198-L1201 PolarHBondContact O-N 2.81Å; L1201-A1203 PolarHBondContact O-N 3.23Å; L1201-C1204 PolarHBondContact O-N 3.38Å; L1201-V1205 HydrophobicContact CD1-CG2 3.79Å; L1201-V1205 HydrophobicContact CG-CG2 4.38Å; L1201-V1205 VanDerWaalsContact O-CB 3.31Å; L1201-V1205 WeakPolarHBondContact O-CB 3.32Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.39Å; L1201-V1205 PolarHBondContact O-N 3.47Å |
| 1202 | A | 76.3 | Confident | 70.4 | Confident | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W565 T1164 L1167 T1198 V1199 Y1200 T1206 | W565-A1202 HydrophobicContact CH2-CB 3.53Å; W565-A1202 HydrophobicContact CZ3-CB 3.59Å; T1164-A1202 VanDerWaalsContact CG2-CA 3.45Å; T1164-A1202 HydrophobicContact CG2-CB 3.36Å; L1167-A1202 HydrophobicContact CD1-CB 3.57Å; T1198-A1202 WeakPolarHBondContact O-CB 3.25Å; T1198-A1202 PolarHBondContact O-N 3.14Å; V1199-A1202 WeakPolarHBondContact O-CB 3.42Å; V1199-A1202 PolarHBondContact O-N 3.41Å; Y1200-A1202 VanDerWaalsContact C-N 3.3Å; Y1200-A1202 PolarHBondContact O-N 2.96Å; A1202-T1206 WeakPolarHBondContact O-CB 3.45Å; A1202-T1206 WeakPolarHBondContact O-CG2 3.47Å; A1202-T1206 PolarHBondContact O-N 3.17Å; A1202-T1206 PolarHBondContact O-OG1 2.94Å |
| 1203 | A | 73.2 | Confident | 72.7 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W565 F568 V1199 Y1200 L1201 V1205 T1206 H1207 | W565-A1203 HydrophobicContact CZ3-CB 4.48Å; F568-A1203 HydrophobicContact CD1-CB 4.14Å; F568-A1203 HydrophobicContact CD2-CB 3.96Å; F568-A1203 HydrophobicContact CE1-CB 3.8Å; F568-A1203 HydrophobicContact CE2-CB 3.6Å; F568-A1203 HydrophobicContact CG-CB 4.22Å; F568-A1203 HydrophobicContact CZ-CB 3.5Å; V1199-A1203 PolarHBondContact O-N 2.74Å; Y1200-A1203 PolarHBondContact O-N 3.04Å; L1201-A1203 PolarHBondContact O-N 3.23Å; A1203-V1205 VanDerWaalsContact C-N 3.33Å; A1203-V1205 PolarHBondContact O-N 2.94Å; A1203-T1206 PolarHBondContact O-OG1 3Å; A1203-T1206 VanDerWaalsContact O-OG1 3.06Å; A1203-H1207 VanDerWaalsContact O-CB 3.28Å; A1203-H1207 WeakPolarHBondContact O-CB 3.43Å; A1203-H1207 PolarHBondContact O-N 3.41Å |
| 1204 | C | 80.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 177 | -71.2 | 0 | 0 | 0 | 0 | 112.9 | A1127 F1130 Y1200 L1201 M1208 | A1127-C1204 HydrophobicContact CB-CB 4.46Å; A1127-C1204 WeakPolarHBondContact O-CB 3.5Å; A1127-C1204 PolarHBondContact O-SG 3.1Å; F1130-C1204 HydrophobicContact CB-CB 4.39Å; Y1200-C1204 PolarHBondContact O-N 3.45Å; L1201-C1204 PolarHBondContact O-N 3.38Å; C1204-M1208 WeakPolarHBondContact O-CB 3.47Å; C1204-M1208 PolarHBondContact O-N 3.15Å |
| 1205 | V | 83.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.9 | -40.1 | -180 | 167.4 | 0 | 0 | 0 | 0 | 111.9 | F1130 L1157 N1160 L1161 L1201 A1203 M1208 A1209 | F1130-V1205 HydrophobicContact CB-CG2 4.42Å; F1130-V1205 HydrophobicContact CD1-CG2 4.19Å; F1130-V1205 HydrophobicContact CD2-CG2 3.38Å; F1130-V1205 HydrophobicContact CE1-CG2 4.31Å; F1130-V1205 HydrophobicContact CE2-CG2 3.53Å; F1130-V1205 HydrophobicContact CG-CG2 3.75Å; F1130-V1205 HydrophobicContact CZ-CG2 4.01Å; L1157-V1205 HydrophobicContact CD2-CG1 4.31Å; N1160-V1205 HydrophobicContact CB-CB 4.44Å; N1160-V1205 HydrophobicContact CB-CG1 3.94Å; N1160-V1205 HydrophobicContact CB-CG2 3.87Å; L1161-V1205 HydrophobicContact CD2-CG1 3.69Å; L1161-V1205 HydrophobicContact CG-CG1 3.62Å; L1201-V1205 HydrophobicContact CD1-CG2 3.79Å; L1201-V1205 HydrophobicContact CG-CG2 4.38Å; L1201-V1205 VanDerWaalsContact O-CB 3.31Å; L1201-V1205 WeakPolarHBondContact O-CB 3.32Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.39Å; L1201-V1205 PolarHBondContact O-N 3.47Å; A1203-V1205 VanDerWaalsContact C-N 3.33Å; A1203-V1205 PolarHBondContact O-N 2.94Å; V1205-M1208 PolarHBondContact O-N 3.35Å; V1205-A1209 WeakPolarHBondContact O-CB 3.28Å; V1205-A1209 PolarHBondContact O-N 3.11Å |
| 1206 | T | 77.1 | Confident | 76.3 | Confident | 27 Ų | 27 | 15.3 Ų | 15.3 | 17% | 0.166 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.6 | -40.9 | 174.1 | 48 | 0 | 0 | 0 | 0 | 111.9 | L1161 T1164 A1202 A1203 M1208 A1209 D1210 | L1161-T1206 HydrophobicContact CD2-CG2 4.03Å; T1164-T1206 HydrophobicContact CG2-CG2 4.37Å; A1202-T1206 WeakPolarHBondContact O-CB 3.45Å; A1202-T1206 WeakPolarHBondContact O-CG2 3.47Å; A1202-T1206 PolarHBondContact O-N 3.17Å; A1202-T1206 PolarHBondContact O-OG1 2.94Å; A1203-T1206 PolarHBondContact O-OG1 3Å; A1203-T1206 VanDerWaalsContact O-OG1 3.06Å; T1206-M1208 PolarHBondContact O-N 3.22Å; T1206-A1209 PolarHBondContact O-N 3.08Å; T1206-D1210 PolarHBondContact O-N 3.47Å |
| 1207 | H | 80.1 | Confident | 77.2 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56 | -46 | 170.4 | 173.3 | -98.6 | 0 | 0 | 0 | 112.1 | A1203 D1210 I1211 | A1203-H1207 VanDerWaalsContact O-CB 3.28Å; A1203-H1207 WeakPolarHBondContact O-CB 3.43Å; A1203-H1207 PolarHBondContact O-N 3.41Å; H1207-D1210 PolarHBondContact O-N 3.46Å; H1207-I1211 WeakPolarHBondContact CE1-CD1 3.38Å; H1207-I1211 WeakPolarHBondContact O-CG1 3.1Å; H1207-I1211 PolarHBondContact O-N 3.02Å |
| 1208 | M | 84.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.5 | -179.4 | 59.6 | -164.9 | 0 | 0 | 112.7 | F1130 S1134 I1137 L1153 L1157 C1204 V1205 T1206 D1210 I1211 L1212 | F1130-M1208 HydrophobicContact CD1-CG 4.39Å; S1134-M1208 WeakPolarHBondContact CA-SD 3.3Å; S1134-M1208 WeakPolarHBondContact CB-SD 3.25Å; I1137-M1208 HydrophobicContact CD1-CE 3.57Å; L1153-M1208 HydrophobicContact CD2-CE 4.16Å; L1157-M1208 HydrophobicContact CD2-CB 4.47Å; L1157-M1208 HydrophobicContact CD2-CG 4.07Å; C1204-M1208 WeakPolarHBondContact O-CB 3.47Å; C1204-M1208 PolarHBondContact O-N 3.15Å; V1205-M1208 PolarHBondContact O-N 3.35Å; T1206-M1208 PolarHBondContact O-N 3.22Å; M1208-D1210 VanDerWaalsContact C-N 3.34Å; M1208-D1210 PolarHBondContact O-N 3.14Å; M1208-I1211 PolarHBondContact O-N 3.42Å; M1208-L1212 HydrophobicContact CE-CD1 3.92Å; M1208-L1212 HydrophobicContact CE-CD2 4.19Å; M1208-L1212 HydrophobicContact CE-CG 3.9Å; M1208-L1212 PolarHBondContact O-N 3.42Å; M1208-L1212 VanDerWaalsContact O-N 3.1Å |
| 1209 | A | 82 | Confident | 78 | Confident | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.033 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1161 V1205 T1206 L1212 V1213 I1312 | L1161-A1209 HydrophobicContact CD1-CB 4.12Å; L1161-A1209 HydrophobicContact CD2-CB 4.36Å; V1205-A1209 WeakPolarHBondContact O-CB 3.28Å; V1205-A1209 PolarHBondContact O-N 3.11Å; T1206-A1209 PolarHBondContact O-N 3.08Å; A1209-L1212 WeakPolarHBondContact O-CB 3.39Å; A1209-L1212 PolarHBondContact O-N 3.09Å; A1209-V1213 WeakPolarHBondContact O-CG2 3.32Å; A1209-V1213 PolarHBondContact O-N 2.88Å; A1209-I1312 HydrophobicContact CB-CD1 4.04Å; A1209-I1312 HydrophobicContact CB-CG1 4.06Å |
| 1210 | D | 75.9 | Confident | 78.5 | Confident | 14 Ų | 14 | 15.4 Ų | 15.4 | 8% | 0.075 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -74.9 | -31 | 178.1 | -76.6 | -32.5 | 0 | 0 | 0 | 113.2 | R538 T1206 H1207 M1208 L1212 V1213 C1214 K1315 | R538-D1210 IonicContact CZ-OD2 3.42Å; R538-D1210 IonicContact NH1-OD2 2.7Å; R538-D1210 PolarHBondContact NH1-OD2 3.41Å; R538-D1210 IonicContact NH2-OD2 2.66Å; T1206-D1210 PolarHBondContact O-N 3.47Å; H1207-D1210 PolarHBondContact O-N 3.46Å; M1208-D1210 VanDerWaalsContact C-N 3.34Å; M1208-D1210 PolarHBondContact O-N 3.14Å; D1210-L1212 VanDerWaalsContact C-N 3.32Å; D1210-V1213 PolarHBondContact O-N 3.37Å; D1210-C1214 VanDerWaalsContact O-CB 3.23Å; D1210-C1214 WeakPolarHBondContact O-CB 3.45Å; D1210-C1214 PolarHBondContact O-N 3.4Å; D1210-C1214 PolarHBondContact O-SG 2.88Å; D1210-K1315 IonicContact OD1-NZ 3.44Å; D1210-K1315 PolarHBondContact OD1-NZ 2.99Å; D1210-K1315 IonicContact OD2-NZ 3.37Å; D1210-K1315 PolarHBondContact OD2-NZ 3.39Å |
| 1211 | I | 79.2 | Confident | 78.8 | Confident | 5 Ų | 5 | 15.1 Ų | 15.1 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 168.9 | -67.1 | 172.3 | 0 | 0 | 0 | 111 | L535 H1207 M1208 D1215 I1216 | L535-I1211 HydrophobicContact CD1-CD1 3.98Å; L535-I1211 HydrophobicContact CD1-CG1 3.49Å; L535-I1211 VanDerWaalsContact CD1-CG1 3.49Å; L535-I1211 HydrophobicContact CD2-CD1 4.29Å; L535-I1211 HydrophobicContact CD2-CG1 3.8Å; L535-I1211 HydrophobicContact CG-CG1 4.25Å; H1207-I1211 WeakPolarHBondContact CE1-CD1 3.38Å; H1207-I1211 WeakPolarHBondContact O-CG1 3.1Å; H1207-I1211 PolarHBondContact O-N 3.02Å; M1208-I1211 PolarHBondContact O-N 3.42Å; I1211-D1215 HydrophobicContact CG2-CB 4.44Å; I1211-D1215 PolarHBondContact O-N 3.01Å; I1211-D1215 VanDerWaalsContact O-N 3.13Å; I1211-I1216 HydrophobicContact CG2-CD1 3.65Å; I1211-I1216 HydrophobicContact CG2-CG1 4Å; I1211-I1216 PolarHBondContact O-N 3.14Å |
| 1212 | L | 81.4 | Confident | 78.7 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -62.4 | -49.4 | 174.2 | -75.9 | 166.7 | 0 | 0 | 0 | 111.6 | L1145 L1157 M1208 A1209 D1210 I1216 I1217 I1312 | L1145-L1212 HydrophobicContact CD1-CD2 4.06Å; L1157-L1212 HydrophobicContact CD1-CD1 3.55Å; M1208-L1212 HydrophobicContact CE-CD1 3.92Å; M1208-L1212 HydrophobicContact CE-CD2 4.19Å; M1208-L1212 HydrophobicContact CE-CG 3.9Å; M1208-L1212 PolarHBondContact O-N 3.42Å; M1208-L1212 VanDerWaalsContact O-N 3.1Å; A1209-L1212 WeakPolarHBondContact O-CB 3.39Å; A1209-L1212 PolarHBondContact O-N 3.09Å; D1210-L1212 VanDerWaalsContact C-N 3.32Å; L1212-I1216 HydrophobicContact CD2-CB 4.47Å; L1212-I1216 HydrophobicContact CD2-CD1 3.8Å; L1212-I1216 HydrophobicContact CD2-CG2 4.49Å; L1212-I1216 HydrophobicContact CG-CD1 4.31Å; L1212-I1217 HydrophobicContact CB-CD1 4.39Å; L1212-I1217 VanDerWaalsContact O-CB 3.28Å; L1212-I1217 WeakPolarHBondContact O-CB 3.41Å; L1212-I1217 WeakPolarHBondContact O-CG1 3.45Å; L1212-I1217 PolarHBondContact O-N 3.48Å; L1212-I1312 HydrophobicContact CD1-CD1 3.96Å |
| 1213 | V | 78.2 | Confident | 78.7 | Confident | 18 Ų | 18 | 21 Ų | 21 | 11% | 0.109 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -70.6 | -41.6 | -176.8 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | A1209 D1210 P1218 I1312 K1315 L1316 | A1209-V1213 WeakPolarHBondContact O-CG2 3.32Å; A1209-V1213 PolarHBondContact O-N 2.88Å; D1210-V1213 PolarHBondContact O-N 3.37Å; V1213-P1218 WeakPolarHBondContact O-CD 3.43Å; V1213-P1218 WeakPolarHBondContact O-CG 3.21Å; V1213-I1312 HydrophobicContact CG2-CG2 3.96Å; V1213-K1315 HydrophobicContact CG1-CB 3.99Å; V1213-K1315 HydrophobicContact CG2-CB 3.93Å; V1213-K1315 HydrophobicContact CG2-CD 4.36Å; V1213-L1316 HydrophobicContact CG1-CD2 4.42Å; V1213-L1316 HydrophobicContact CG2-CD2 4.42Å; V1213-L1316 HydrophobicContact CG2-CG 4.4Å |
| 1214 | C | 73.1 | Confident | 79 | Confident | 74 Ų | 74 | 21 Ų | 21 | 50% | 0.5 | 12% | 0.115 | S | C | . | . | I | π-helix | trans | -95.1 | -42.1 | -169.1 | -52.6 | 0 | 0 | 0 | 0 | 113.5 | D1210 P1218 | D1210-C1214 VanDerWaalsContact O-CB 3.23Å; D1210-C1214 WeakPolarHBondContact O-CB 3.45Å; D1210-C1214 PolarHBondContact O-N 3.4Å; D1210-C1214 PolarHBondContact O-SG 2.88Å; C1214-P1218 WeakPolarHBondContact O-CG 3.11Å |
| 1215 | D | 72.8 | Confident | 78.8 | Confident | 58 Ų | 58 | 21.6 Ų | 21.6 | 31% | 0.31 | 12% | 0.118 | S | C | . | . | I | π-helix | trans | -100.2 | -55.5 | -175.1 | -79.3 | 34 | 0 | 0 | 0 | 110.9 | R1066 I1211 T1219 | R1066-D1215 IonicContact NH1-OD2 3.93Å; R1066-D1215 IonicContact NH2-OD2 3.93Å; R1066-D1215 PolarHBondContact NH2-OD2 3.35Å; I1211-D1215 HydrophobicContact CG2-CB 4.44Å; I1211-D1215 PolarHBondContact O-N 3.01Å; I1211-D1215 VanDerWaalsContact O-N 3.13Å; D1215-T1219 VanDerWaalsContact O-CB 3.22Å; D1215-T1219 WeakPolarHBondContact O-CB 3.12Å; D1215-T1219 PolarHBondContact O-N 2.93Å; D1215-T1219 PolarHBondContact O-OG1 3.4Å |
| 1216 | I | 78.5 | Confident | 78.4 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -75.4 | -57.7 | -165.8 | -61.3 | 162.5 | 0 | 0 | 0 | 112.9 | I1137 P1141 L1145 I1211 L1212 T1219 I1220 | I1137-I1216 HydrophobicContact CB-CD1 4.38Å; I1137-I1216 HydrophobicContact CG2-CD1 3.58Å; P1141-I1216 HydrophobicContact CB-CG2 4.2Å; L1145-I1216 HydrophobicContact CD2-CG2 4.4Å; I1211-I1216 HydrophobicContact CG2-CD1 3.65Å; I1211-I1216 HydrophobicContact CG2-CG1 4Å; I1211-I1216 PolarHBondContact O-N 3.14Å; L1212-I1216 HydrophobicContact CD2-CB 4.47Å; L1212-I1216 HydrophobicContact CD2-CD1 3.8Å; L1212-I1216 HydrophobicContact CD2-CG2 4.49Å; L1212-I1216 HydrophobicContact CG-CD1 4.31Å; I1216-T1219 WeakPolarHBondContact O-CB 3.32Å; I1216-T1219 PolarHBondContact O-N 3.26Å; I1216-I1220 HydrophobicContact CG2-CD1 3.76Å; I1216-I1220 WeakPolarHBondContact O-CG1 3.42Å; I1216-I1220 PolarHBondContact O-N 3.46Å |
| 1217 | I | 82 | Confident | 78 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | -173.3 | -65.6 | 172.1 | 0 | 0 | 0 | 111.4 | L1212 T1219 I1220 C1221 L1302 I1305 L1316 F1365 | L1212-I1217 HydrophobicContact CB-CD1 4.39Å; L1212-I1217 VanDerWaalsContact O-CB 3.28Å; L1212-I1217 WeakPolarHBondContact O-CB 3.41Å; L1212-I1217 WeakPolarHBondContact O-CG1 3.45Å; L1212-I1217 PolarHBondContact O-N 3.48Å; I1217-T1219 VanDerWaalsContact C-N 3.29Å; I1217-T1219 PolarHBondContact O-N 2.7Å; I1217-I1220 PolarHBondContact O-N 3.01Å; I1217-C1221 PolarHBondContact O-N 3.44Å; I1217-L1302 HydrophobicContact CB-CD2 4.33Å; I1217-L1302 HydrophobicContact CD1-CD2 4.01Å; I1217-L1302 HydrophobicContact CG1-CD2 3.74Å; I1217-L1302 HydrophobicContact CG2-CD1 4.19Å; I1217-L1302 HydrophobicContact CG2-CD2 3.82Å; I1217-I1305 HydrophobicContact CD1-CG2 4.26Å; I1217-L1316 HydrophobicContact CB-CD2 4.36Å; I1217-L1316 HydrophobicContact CD1-CD1 3.89Å; I1217-L1316 HydrophobicContact CD1-CD2 4.2Å; I1217-L1316 HydrophobicContact CG2-CD2 3.94Å; I1217-F1365 HydrophobicContact CG2-CE1 4.3Å |
| 1218 | P | 79.5 | Confident | 77.6 | Confident | 22 Ų | 22 | 23.7 Ų | 23.7 | 14% | 0.143 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.8 | -36.6 | 174.1 | -24.9 | 36.7 | 0 | 0 | 0 | 112.7 | V1213 C1214 C1221 Y1222 F1365 | V1213-P1218 WeakPolarHBondContact O-CD 3.43Å; V1213-P1218 WeakPolarHBondContact O-CG 3.21Å; C1214-P1218 WeakPolarHBondContact O-CG 3.11Å; P1218-C1221 PolarHBondContact O-N 3.3Å; P1218-Y1222 VanDerWaalsContact O-CB 3.28Å; P1218-Y1222 WeakPolarHBondContact O-CB 3.23Å; P1218-Y1222 PolarHBondContact O-N 3.32Å; P1218-F1365 HydrophobicContact CB-CB 4.2Å; P1218-F1365 HydrophobicContact CB-CD1 4.28Å; P1218-F1365 HydrophobicContact CB-CD2 4.12Å; P1218-F1365 HydrophobicContact CB-CG 3.94Å; P1218-F1365 HydrophobicContact CG-CB 3.94Å; P1218-F1365 HydrophobicContact CG-CD1 3.8Å; P1218-F1365 HydrophobicContact CG-CD2 4.48Å; P1218-F1365 HydrophobicContact CG-CE1 4.42Å; P1218-F1365 HydrophobicContact CG-CG 3.83Å |
| 1219 | T | 76.3 | Confident | 76.7 | Confident | 66 Ų | 66 | 26.5 Ų | 26.5 | 41% | 0.405 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.9 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | D1215 I1216 I1217 Q1223 | D1215-T1219 VanDerWaalsContact O-CB 3.22Å; D1215-T1219 WeakPolarHBondContact O-CB 3.12Å; D1215-T1219 PolarHBondContact O-N 2.93Å; D1215-T1219 PolarHBondContact O-OG1 3.4Å; I1216-T1219 WeakPolarHBondContact O-CB 3.32Å; I1216-T1219 PolarHBondContact O-N 3.26Å; I1217-T1219 VanDerWaalsContact C-N 3.29Å; I1217-T1219 PolarHBondContact O-N 2.7Å; T1219-Q1223 WeakPolarHBondContact O-CB 3.09Å; T1219-Q1223 VanDerWaalsContact O-CG 3.31Å; T1219-Q1223 WeakPolarHBondContact O-CG 3.45Å; T1219-Q1223 PolarHBondContact O-N 3.44Å |
| 1220 | I | 79.8 | Confident | 75.9 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -50.1 | 176 | -66.9 | 163.8 | 0 | 0 | 0 | 110.1 | L1145 I1216 I1217 Y1222 Q1223 I1224 L1295 A1298 F1299 | L1145-I1220 HydrophobicContact CD2-CD1 3.73Å; I1216-I1220 HydrophobicContact CG2-CD1 3.76Å; I1216-I1220 WeakPolarHBondContact O-CG1 3.42Å; I1216-I1220 PolarHBondContact O-N 3.46Å; I1217-I1220 PolarHBondContact O-N 3.01Å; I1220-Y1222 VanDerWaalsContact C-N 3.33Å; I1220-Y1222 PolarHBondContact O-N 3.15Å; I1220-Q1223 PolarHBondContact O-N 3.27Å; I1220-I1224 HydrophobicContact CG2-CD1 3.92Å; I1220-I1224 WeakPolarHBondContact O-CG1 3.27Å; I1220-I1224 PolarHBondContact O-N 3.17Å; I1220-L1295 HydrophobicContact CG2-CD1 4.22Å; I1220-A1298 HydrophobicContact CD1-CB 3.96Å; I1220-A1298 HydrophobicContact CG1-CB 4.4Å; I1220-F1299 HydrophobicContact CG2-CB 4.34Å; I1220-F1299 HydrophobicContact CG2-CD2 4.34Å |
| 1221 | C | 80.8 | Confident | 75.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -38.7 | 178.4 | -73.6 | 0 | 0 | 0 | 0 | 112.8 | I1217 P1218 I1224 L1225 F1365 F1370 | I1217-C1221 PolarHBondContact O-N 3.44Å; P1218-C1221 PolarHBondContact O-N 3.3Å; C1221-I1224 PolarHBondContact O-N 2.93Å; C1221-L1225 PolarHBondContact O-N 3.05Å; C1221-F1365 HydrophobicContact CB-CE2 3.91Å; C1221-F1365 HydrophobicContact CB-CZ 3.65Å; C1221-F1370 HydrophobicContact CB-CD2 3.7Å; C1221-F1370 HydrophobicContact CB-CE2 3.66Å; C1221-F1370 HydrophobicContact CB-CG 4.28Å; C1221-F1370 HydrophobicContact CB-CZ 4.21Å |
| 1222 | Y | 77.7 | Confident | 74 | Confident | 100 Ų | 100 | 34.3 Ų | 34.3 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.2 | -41.5 | 174.6 | -164.9 | -70.4 | 0 | 0 | 0 | 111.8 | P1218 I1220 I1224 L1225 S1226 I1231 I1236 | P1218-Y1222 VanDerWaalsContact O-CB 3.28Å; P1218-Y1222 WeakPolarHBondContact O-CB 3.23Å; P1218-Y1222 PolarHBondContact O-N 3.32Å; I1220-Y1222 VanDerWaalsContact C-N 3.33Å; I1220-Y1222 PolarHBondContact O-N 3.15Å; Y1222-I1224 PolarHBondContact O-N 3.05Å; Y1222-L1225 PolarHBondContact O-N 3.16Å; Y1222-S1226 VanDerWaalsContact O-CB 3.29Å; Y1222-S1226 WeakPolarHBondContact O-CB 3.43Å; Y1222-S1226 PolarHBondContact O-N 3.24Å; Y1222-I1231 HydrophobicContact CD2-CD1 4.17Å; Y1222-I1231 HydrophobicContact CE1-CD1 4.5Å; Y1222-I1231 HydrophobicContact CE1-CG2 4.04Å; Y1222-I1231 HydrophobicContact CE2-CD1 3.95Å; Y1222-I1231 WeakPolarHBondContact OH-CG2 3.39Å; Y1222-I1236 HydrophobicContact CD1-CD1 4.17Å; Y1222-I1236 HydrophobicContact CD1-CG1 4.46Å; Y1222-I1236 HydrophobicContact CE1-CD1 3.72Å; Y1222-I1236 HydrophobicContact CE1-CG1 3.74Å |
| 1223 | Q | 76.8 | Confident | 72.2 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -31.7 | 174.5 | -76.6 | 176.8 | 21.8 | 0 | 0 | 112 | T1219 I1220 A1227 L1295 | T1219-Q1223 WeakPolarHBondContact O-CB 3.09Å; T1219-Q1223 VanDerWaalsContact O-CG 3.31Å; T1219-Q1223 WeakPolarHBondContact O-CG 3.45Å; T1219-Q1223 PolarHBondContact O-N 3.44Å; I1220-Q1223 PolarHBondContact O-N 3.27Å; Q1223-A1227 VanDerWaalsContact O-CB 3.32Å; Q1223-A1227 WeakPolarHBondContact O-CB 3.33Å; Q1223-A1227 PolarHBondContact O-N 2.93Å; Q1223-L1295 HydrophobicContact CB-CD1 3.72Å; Q1223-L1295 HydrophobicContact CB-CD2 4.22Å |
| 1224 | I | 79.3 | Confident | 70 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.3 | -48.3 | 175.5 | -65.8 | 161.7 | 0 | 0 | 0 | 111.7 | I1220 C1221 Y1222 S1226 A1227 V1228 L1295 F1299 F1370 I1403 | I1220-I1224 HydrophobicContact CG2-CD1 3.92Å; I1220-I1224 WeakPolarHBondContact O-CG1 3.27Å; I1220-I1224 PolarHBondContact O-N 3.17Å; C1221-I1224 PolarHBondContact O-N 2.93Å; Y1222-I1224 PolarHBondContact O-N 3.05Å; I1224-S1226 PolarHBondContact O-N 3.23Å; I1224-A1227 WeakPolarHBondContact O-CA 3.26Å; I1224-A1227 PolarHBondContact O-N 3.08Å; I1224-V1228 HydrophobicContact CG2-CG2 4.32Å; I1224-V1228 WeakPolarHBondContact O-CG2 3.14Å; I1224-V1228 PolarHBondContact O-N 3.33Å; I1224-L1295 HydrophobicContact CG1-CD1 4.17Å; I1224-L1295 HydrophobicContact CG1-CD2 3.86Å; I1224-L1295 HydrophobicContact CG1-CG 3.98Å; I1224-F1299 HydrophobicContact CD1-CB 3.69Å; I1224-F1299 HydrophobicContact CD1-CD1 3.88Å; I1224-F1299 HydrophobicContact CD1-CD2 3.12Å; I1224-F1299 HydrophobicContact CD1-CE1 4.29Å; I1224-F1299 HydrophobicContact CD1-CE2 3.59Å; I1224-F1299 HydrophobicContact CD1-CG 3.28Å; I1224-F1299 HydrophobicContact CD1-CZ 4.16Å; I1224-F1370 HydrophobicContact CG2-CZ 4.47Å; I1224-I1403 HydrophobicContact CG2-CD1 3.95Å; I1224-I1403 HydrophobicContact CG2-CG2 4.39Å |
| 1225 | L | 76.7 | Confident | 68.1 | Low | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.2 | -34.2 | 174 | -69 | 177.1 | 0 | 0 | 0 | 111.8 | C1221 Y1222 G1229 L1230 I1231 F1370 L1374 | C1221-L1225 PolarHBondContact O-N 3.05Å; Y1222-L1225 PolarHBondContact O-N 3.16Å; L1225-G1229 PolarHBondContact O-N 2.8Å; L1225-L1230 HydrophobicContact CD2-CB 4.27Å; L1225-L1230 HydrophobicContact CD2-CD1 3.8Å; L1225-L1230 PolarHBondContact O-N 3.07Å; L1225-I1231 HydrophobicContact CB-CD1 3.73Å; L1225-I1231 HydrophobicContact CB-CG1 3.99Å; L1225-I1231 HydrophobicContact CD1-CD1 3.79Å; L1225-I1231 HydrophobicContact CG-CD1 4.43Å; L1225-I1231 PolarHBondContact O-N 3.44Å; L1225-F1370 HydrophobicContact CD1-CD2 3.98Å; L1225-F1370 HydrophobicContact CD2-CD2 4.11Å; L1225-F1370 HydrophobicContact CD2-CE2 4.19Å; L1225-F1370 HydrophobicContact CG-CD2 3.88Å; L1225-F1370 HydrophobicContact CG-CE2 3.98Å; L1225-L1374 HydrophobicContact CD2-CD2 4.1Å; L1225-L1374 HydrophobicContact CD2-CG 4.15Å |
| 1226 | S | 73.7 | Confident | 66.1 | Low | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -75.3 | -19.9 | 173.6 | -173.2 | 0 | 0 | 0 | 0 | 114.3 | Y1222 I1224 I1233 | Y1222-S1226 VanDerWaalsContact O-CB 3.29Å; Y1222-S1226 WeakPolarHBondContact O-CB 3.43Å; Y1222-S1226 PolarHBondContact O-N 3.24Å; I1224-S1226 PolarHBondContact O-N 3.23Å; S1226-I1233 WeakPolarHBondContact OG-CG1 3.46Å |
| 1227 | A | 70.4 | Confident | 63.7 | Low | 45 Ų | 45 | 51.2 Ų | 51.2 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -88.8 | -32.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1223 I1224 G1229 L1295 F1399 | Q1223-A1227 VanDerWaalsContact O-CB 3.32Å; Q1223-A1227 WeakPolarHBondContact O-CB 3.33Å; Q1223-A1227 PolarHBondContact O-N 2.93Å; I1224-A1227 WeakPolarHBondContact O-CA 3.26Å; I1224-A1227 PolarHBondContact O-N 3.08Å; A1227-G1229 PolarHBondContact O-N 3.29Å; A1227-L1295 HydrophobicContact CB-CD2 4.47Å; A1227-F1399 HydrophobicContact CB-CE1 4.15Å; A1227-F1399 HydrophobicContact CB-CZ 4.37Å |
| 1228 | V | 70.5 | Confident | 61.1 | Low | 20 Ų | 20 | 52.6 Ų | 52.6 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.5 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | I1224 L1230 L1374 I1403 | I1224-V1228 HydrophobicContact CG2-CG2 4.32Å; I1224-V1228 WeakPolarHBondContact O-CG2 3.14Å; I1224-V1228 PolarHBondContact O-N 3.33Å; V1228-L1230 VanDerWaalsContact C-N 3.31Å; V1228-L1230 HydrophobicContact CG1-CD1 4.08Å; V1228-L1230 HydrophobicContact CG1-CG 4.29Å; V1228-L1230 PolarHBondContact O-N 3.03Å; V1228-L1374 HydrophobicContact CG1-CD2 4.35Å; V1228-I1403 HydrophobicContact CG2-CD1 4.25Å |
| 1229 | G | 66 | Low | 58.7 | Low | 60 Ų | 60 | 56.6 Ų | 56.6 | 62% | 0.619 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -0.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1225 A1227 I1231 | L1225-G1229 PolarHBondContact O-N 2.8Å; A1227-G1229 PolarHBondContact O-N 3.29Å; G1229-I1231 PolarHBondContact O-N 2.83Å |
| 1230 | L | 65.3 | Low | 56.5 | Low | 65 Ų | 65 | 57.4 Ų | 57.4 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -67.3 | -12.9 | 177.5 | -73.9 | 168.1 | 0 | 0 | 0 | 114.3 | L1225 V1228 L1374 H1377 | L1225-L1230 HydrophobicContact CD2-CB 4.27Å; L1225-L1230 HydrophobicContact CD2-CD1 3.8Å; L1225-L1230 PolarHBondContact O-N 3.07Å; V1228-L1230 VanDerWaalsContact C-N 3.31Å; V1228-L1230 HydrophobicContact CG1-CD1 4.08Å; V1228-L1230 HydrophobicContact CG1-CG 4.29Å; V1228-L1230 PolarHBondContact O-N 3.03Å; L1230-L1374 HydrophobicContact CD1-CD2 3.78Å; L1230-H1377 HydrophobicContact CD1-CB 3.97Å; L1230-H1377 HydrophobicContact CD2-CB 3.95Å; L1230-H1377 HydrophobicContact CG-CB 4.42Å |
| 1231 | I | 65.4 | Low | 53.9 | Low | 27 Ų | 27 | 62.4 Ų | 62.4 | 14% | 0.138 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -135.6 | 130.4 | 173.1 | -60.3 | 179.4 | 0 | 0 | 0 | 109.3 | Y1222 L1225 G1229 | Y1222-I1231 HydrophobicContact CD2-CD1 4.17Å; Y1222-I1231 HydrophobicContact CE1-CD1 4.5Å; Y1222-I1231 HydrophobicContact CE1-CG2 4.04Å; Y1222-I1231 HydrophobicContact CE2-CD1 3.95Å; Y1222-I1231 WeakPolarHBondContact OH-CG2 3.39Å; L1225-I1231 HydrophobicContact CB-CD1 3.73Å; L1225-I1231 HydrophobicContact CB-CG1 3.99Å; L1225-I1231 HydrophobicContact CD1-CD1 3.79Å; L1225-I1231 HydrophobicContact CG-CD1 4.43Å; L1225-I1231 PolarHBondContact O-N 3.44Å; G1229-I1231 PolarHBondContact O-N 2.83Å |
| 1232 | P | 48.8 | Very low | 51.3 | Low | 94 Ų | 94 | 69.6 Ų | 69.6 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | trans | -66.4 | 135 | 176.1 | 27.3 | -34.6 | 0 | 0 | 0 | 111.7 | S1234 | P1232-S1234 PolarHBondContact O-N 3.03Š| ||
| 1233 | I | 45.2 | Very low | 48.8 | Very low | 127 Ų | 127 | 73.4 Ų | 73.4 | 65% | 0.651 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -61.4 | -12.7 | -175.3 | -66.3 | 159.7 | 0 | 0 | 0 | 113.4 | S1226 K1235 | S1226-I1233 WeakPolarHBondContact OG-CG1 3.46Å; I1233-K1235 PolarHBondContact O-N 3.01Å |
| 1234 | S | 32.4 | Very low | 46.4 | Very low | 83 Ų | 83 | 77 Ų | 77 | 58% | 0.58 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 128.3 | 176.5 | 53 | 0 | 0 | 0 | 0 | 113.2 | P1232 | P1232-S1234 PolarHBondContact O-N 3.03Š|
| 1235 | K | 31.3 | Very low | 43.7 | Very low | 151 Ų | 151 | 87.9 Ų | 87.9 | 66% | 0.657 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -1.2 | 175.5 | -59 | -176.8 | 177.5 | 176.9 | 0 | 119.1 | I1233 S1237 S1238 | I1233-K1235 PolarHBondContact O-N 3.01Å; K1235-S1237 PolarHBondContact O-N 2.8Å; K1235-S1238 VanDerWaalsContact CA-OG 3.28Å; K1235-S1238 WeakPolarHBondContact CA-OG 3.25Å; K1235-S1238 WeakPolarHBondContact CB-OG 3.49Å; K1235-S1238 PolarHBondContact O-N 2.88Å; K1235-S1238 PolarHBondContact O-OG 2.73Å |
| 1236 | I | 32.1 | Very low | 41.3 | Very low | 60 Ų | 60 | 96.4 Ų | 96.4 | 31% | 0.308 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60 | -32 | 172.8 | -52.9 | 177.8 | 0 | 0 | 0 | 111.5 | Y1222 S1238 | Y1222-I1236 HydrophobicContact CD1-CD1 4.17Å; Y1222-I1236 HydrophobicContact CD1-CG1 4.46Å; Y1222-I1236 HydrophobicContact CE1-CD1 3.72Å; Y1222-I1236 HydrophobicContact CE1-CG1 3.74Å; I1236-S1238 VanDerWaalsContact C-N 3.26Å; I1236-S1238 PolarHBondContact O-N 3.45Å |
| 1237 | S | 28.5 | Very low | 38.9 | Very low | 91 Ų | 91 | 102.9 Ų | 102.9 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.5 | -3 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | K1235 N1241 | K1235-S1237 PolarHBondContact O-N 2.8Å; S1237-N1241 WeakPolarHBondContact O-CB 3.24Å; S1237-N1241 PolarHBondContact O-ND2 3.04Å |
| 1238 | S | 27.3 | Very low | 36.8 | Very low | 29 Ų | 29 | 105.7 Ų | 105.7 | 20% | 0.203 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -102.5 | -46.2 | -176.9 | 18.9 | 0 | 0 | 0 | 0 | 114.7 | K1235 I1236 A1240 N1241 Q1242 | K1235-S1238 VanDerWaalsContact CA-OG 3.28Å; K1235-S1238 WeakPolarHBondContact CA-OG 3.25Å; K1235-S1238 WeakPolarHBondContact CB-OG 3.49Å; K1235-S1238 PolarHBondContact O-N 2.88Å; K1235-S1238 PolarHBondContact O-OG 2.73Å; I1236-S1238 VanDerWaalsContact C-N 3.26Å; I1236-S1238 PolarHBondContact O-N 3.45Å; S1238-A1240 VanDerWaalsContact C-N 3.31Å; S1238-A1240 PolarHBondContact O-N 2.86Å; S1238-N1241 PolarHBondContact O-N 3.3Å; S1238-N1241 VanDerWaalsContact O-N 3.1Å; S1238-Q1242 VanDerWaalsContact O-CB 3.31Å; S1238-Q1242 WeakPolarHBondContact O-CB 3.36Å; S1238-Q1242 WeakPolarHBondContact O-CG 3.34Å; S1238-Q1242 PolarHBondContact O-N 3.23Å |
| 1239 | S | 27.9 | Very low | 34.8 | Very low | 106 Ų | 106 | 112.2 Ų | 112.2 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.6 | -30.7 | -175.5 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1240 | A | 29.7 | Very low | 32.9 | Very low | 84 Ų | 84 | 113.9 Ų | 113.9 | 69% | 0.694 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -4.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1238 | S1238-A1240 VanDerWaalsContact C-N 3.31Å; S1238-A1240 PolarHBondContact O-N 2.86Å |
| 1241 | N | 26.6 | Very low | 31 | Very low | 108 Ų | 108 | 116.3 Ų | 116.3 | 58% | 0.578 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.1 | -5.6 | -172.2 | -78 | -56.1 | 0 | 0 | 0 | 116 | S1237 S1238 F1243 V1244 | S1237-N1241 WeakPolarHBondContact O-CB 3.24Å; S1237-N1241 PolarHBondContact O-ND2 3.04Å; S1238-N1241 PolarHBondContact O-N 3.3Å; S1238-N1241 VanDerWaalsContact O-N 3.1Å; N1241-F1243 PolarHBondContact O-N 3.21Å; N1241-F1243 VanDerWaalsContact O-N 3.16Å; N1241-V1244 PolarHBondContact O-N 3.07Å |
| 1242 | Q | 26 | Very low | 29.3 | Very low | 152 Ų | 152 | 119.5 Ų | 119.5 | 71% | 0.71 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -7.4 | -173.3 | -93.9 | -179.6 | -51.5 | 0 | 0 | 116 | S1238 V1244 | S1238-Q1242 VanDerWaalsContact O-CB 3.31Å; S1238-Q1242 WeakPolarHBondContact O-CB 3.36Å; S1238-Q1242 WeakPolarHBondContact O-CG 3.34Å; S1238-Q1242 PolarHBondContact O-N 3.23Å; Q1242-V1244 VanDerWaalsContact C-N 3.29Å; Q1242-V1244 PolarHBondContact O-N 3.2Å |
| 1243 | F | 25.7 | Very low | 28.3 | Very low | 180 Ų | 180 | 120.7 Ų | 120.7 | 79% | 0.789 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 14.6 | 172.7 | -91.3 | -81.8 | 0 | 0 | 0 | 115 | N1241 | N1241-F1243 PolarHBondContact O-N 3.21Å; N1241-F1243 VanDerWaalsContact O-N 3.16Å |
| 1244 | V | 26.1 | Very low | 27.4 | Very low | 115 Ų | 115 | 125 Ų | 125 | 70% | 0.697 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -126.4 | 59.4 | 177.4 | -164.8 | 0 | 0 | 0 | 0 | 112.4 | N1241 Q1242 | N1241-V1244 PolarHBondContact O-N 3.07Å; Q1242-V1244 VanDerWaalsContact C-N 3.29Å; Q1242-V1244 PolarHBondContact O-N 3.2Å |
| 1245 | R | 23.3 | Very low | 27 | Very low | 231 Ų | 231 | 129.5 Ų | 129.5 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | trans | -175.7 | 99.5 | 156.7 | -105.7 | 167.2 | -170.4 | -163.9 | 3.9 | 111.7 | ||||
| 1246 | Q | 24.7 | Very low | 26.7 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | trans | 169.8 | 84.4 | 140.8 | -95.8 | 175.9 | 35.4 | 0 | 0 | 112.2 | ||||
| 1247 | T | 23.7 | Very low | 26.4 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 87% | 0.871 | 72% | 0.719 | S | S | * | * | trans | -145.6 | 64.6 | 157.4 | 41.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1248 | S | 26.9 | Very low | 26.3 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -143.2 | 96.6 | 174.3 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1249 | N | 27.6 | Very low | 26.2 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | 59.2 | 108.9 | 155.8 | -56 | 0.8 | 0 | 0 | 0 | 118.5 | ||||
| 1250 | A | 25.8 | Very low | 26.2 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -72.8 | 155.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1251 | S | 26.4 | Very low | 26.1 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 69 | 142 | 179.4 | 85 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1252 | S | 28.9 | Very low | 26.1 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | -150.2 | 158.7 | 3.6 | 84 | 0 | 0 | 0 | 0 | 114 | ||||
| 1253 | N | 28.2 | Very low | 26.2 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | 64.2 | 123.9 | 151.7 | -74.5 | -61.4 | 0 | 0 | 0 | 121.6 | ||||
| 1254 | R | 26.4 | Very low | 26.3 | Very low | 218 Ų | 218 | 135 Ų | 135 | 82% | 0.823 | 75% | 0.749 | S | S | * | * | 54.5 | 135.2 | 127 | -59.2 | 174.3 | -166.1 | -152.1 | -2.3 | 117.4 | |||||
| 1255 | K | 24 | Very low | 26.2 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | cis | 161.4 | 151.6 | 1.3 | -117.9 | -171.5 | 175.2 | -172.5 | 0 | 101.4 | ||||
| 1256 | T | 24.8 | Very low | 26.4 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | 60.9 | 147.2 | 157.4 | 48.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1257 | S | 25.8 | Very low | 26.4 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | cis | -179.2 | 152 | -12.4 | 50.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1258 | L | 26.5 | Very low | 26.5 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | 66 | 160.3 | 159.8 | -55.7 | 153.3 | 0 | 0 | 0 | 114 | ||||
| 1259 | T | 26.2 | Very low | 26.5 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 61% | 0.607 | 73% | 0.732 | S | S | * | * | cis | -160.4 | 159.6 | -13 | 10.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1260 | K | 26.6 | Very low | 26.3 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | 68.6 | 147 | 150.5 | -71 | 162.6 | -175.3 | 178.8 | 0 | 116.7 | ||||
| 1261 | S | 27 | Very low | 26.3 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | cis | -165.8 | 168.9 | -11 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1262 | S | 27.6 | Very low | 26.2 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | 66.5 | 137.8 | 136.7 | 54.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1263 | T | 27.2 | Very low | 26 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | cis | -171.1 | 157.2 | -13.5 | 21.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1264 | T | 27.6 | Very low | 25.8 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | trans | 62.2 | 133.7 | 150.4 | 50.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1265 | Y | 25 | Very low | 25.7 | Very low | 223 Ų | 223 | 135 Ų | 135 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | 67.1 | 136.5 | 53.3 | -75.8 | -70.4 | 0 | 0 | 0 | 113.2 | |||||
| 1266 | A | 26.8 | Very low | 25.8 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | cis | -157.6 | -178.6 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1267 | R | 25.2 | Very low | 25.8 | Very low | 221 Ų | 221 | 130 Ų | 130 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 10.5 | 142 | 139.3 | -65.3 | 170.1 | 179.4 | -176 | 1.6 | 117.5 | ||||
| 1268 | Q | 26.3 | Very low | 25.8 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | -157.6 | -174.1 | 10.6 | -122 | 160.6 | -103.2 | 0 | 0 | 107.6 | ||||
| 1269 | T | 26.1 | Very low | 25.7 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | cis | -153.1 | -153.6 | 24.3 | -22.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1270 | L | 23.6 | Very low | 25.7 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -51.5 | 151 | 167 | -68 | 65.8 | 0 | 0 | 0 | 112.1 | ||||
| 1271 | S | 25.7 | Very low | 25.8 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | cis | -166.8 | 163.4 | 37.9 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1272 | N | 24.8 | Very low | 25.7 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | 52.8 | 118.3 | 152.5 | -72.8 | 5.3 | 0 | 0 | 0 | 122.3 | ||||
| 1273 | T | 24.4 | Very low | 25.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 75.4 | 131 | 135.3 | 58.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1274 | N | 25 | Very low | 25.4 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 75.2 | 96.6 | 145.6 | -58.8 | -12.2 | 0 | 0 | 0 | 121.1 | ||||
| 1275 | N | 23.9 | Very low | 25.2 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 66.2 | 126.8 | 132 | -66.7 | -16.2 | 0 | 0 | 0 | 123.1 | ||||
| 1276 | S | 25.9 | Very low | 25.3 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | 83.5 | 150.1 | 145.3 | 78.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1277 | G | 25.3 | Very low | 25.3 | Very low | 74 Ų | 74 | 132.5 Ų | 132.5 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 93.3 | 70.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1278 | L | 24.5 | Very low | 25.5 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | 78.9 | 113.3 | 65.1 | -162.4 | 100 | 0 | 0 | 0 | 115.4 | |||||
| 1279 | S | 25.7 | Very low | 26 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | 72.3 | 156.2 | 160.6 | 83.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1280 | T | 25.6 | Very low | 27.2 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | cis | -139.7 | -173.7 | 8.4 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1281 | L | 27.4 | Very low | 29 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 87.8 | 85.6 | 176.5 | -55.8 | 169.1 | 0 | 0 | 0 | 114.5 | ||||
| 1282 | N | 25.5 | Very low | 30.7 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | 67.2 | 126.2 | 75 | -60.7 | -22.7 | 0 | 0 | 0 | 113.4 | |||||
| 1283 | S | 26.1 | Very low | 32.6 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | cis | -144.7 | 130.9 | 22.1 | 55.1 | 0 | 0 | 0 | 0 | 115.6 | T1285 | S1283-T1285 PolarHBondContact O-N 2.93Š| ||
| 1284 | N | 22.1 | Very low | 34.6 | Very low | 163 Ų | 163 | 121.4 Ų | 121.4 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | trans | 55.8 | 45.4 | 151.3 | -61 | 2.6 | 0 | 0 | 0 | 120 | ||||
| 1285 | T | 25.2 | Very low | 36.7 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 83% | 0.834 | 66% | 0.664 | S | S | * | * | trans | -117.4 | 82.7 | 155.1 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | S1283 S1287 | S1283-T1285 PolarHBondContact O-N 2.93Å; T1285-S1287 PolarHBondContact O-N 2.98Å | ||
| 1286 | S | 26.3 | Very low | 39 | Very low | 115 Ų | 115 | 109 Ų | 109 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | trans | -69.3 | 117 | 177.1 | 54 | 0 | 0 | 0 | 0 | 110.8 | I1288 | S1286-I1288 PolarHBondContact O-N 3.3Š| ||
| 1287 | S | 26.3 | Very low | 41.3 | Very low | 103 Ų | 103 | 105.3 Ų | 105.3 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | trans | -56 | 128.4 | 175.1 | 48 | 0 | 0 | 0 | 0 | 112 | T1285 Q1289 | T1285-S1287 PolarHBondContact O-N 2.98Å; S1287-Q1289 PolarHBondContact O-N 2.97Å; S1287-Q1289 VanDerWaalsContact O-N 3.09Å | ||
| 1288 | I | 29.8 | Very low | 43.5 | Very low | 150 Ų | 150 | 101.8 Ų | 101.8 | 77% | 0.769 | 57% | 0.568 | S | S | * | * | trans | -76.1 | 97 | 169.2 | -59 | 174.3 | 0 | 0 | 0 | 107.3 | S1286 I1290 | S1286-I1288 PolarHBondContact O-N 3.3Å; I1288-I1290 HydrophobicContact CG2-CG1 4.22Å; I1288-I1290 PolarHBondContact O-N 3.39Å; I1288-I1290 VanDerWaalsContact O-N 3.08Å | ||
| 1289 | Q | 36.7 | Very low | 46.1 | Very low | 181 Ų | 181 | 94.2 Ų | 94.2 | 85% | 0.846 | 53% | 0.528 | S | S | * | . | trans | -67 | 102.6 | 161.2 | -75.3 | -176 | -46.4 | 0 | 0 | 107.6 | S1287 N1291 | S1287-Q1289 PolarHBondContact O-N 2.97Å; S1287-Q1289 VanDerWaalsContact O-N 3.09Å; Q1289-N1291 PolarHBondContact O-N 2.96Å; Q1289-N1291 VanDerWaalsContact O-N 3.14Å | ||
| 1290 | I | 52.3 | Low | 48.6 | Very low | 60 Ų | 60 | 92 Ų | 92 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | trans | -66.9 | 111.4 | 168.9 | -59.1 | 177.3 | 0 | 0 | 0 | 106.3 | I1288 T1292 L1295 | I1288-I1290 HydrophobicContact CG2-CG1 4.22Å; I1288-I1290 PolarHBondContact O-N 3.39Å; I1288-I1290 VanDerWaalsContact O-N 3.08Å; I1290-T1292 PolarHBondContact O-N 3.47Å; I1290-L1295 HydrophobicContact CG2-CB 4.34Å; I1290-L1295 HydrophobicContact CG2-CD2 3.94Å | ||
| 1291 | N | 59.8 | Low | 51.1 | Low | 85 Ų | 85 | 86.8 Ų | 86.8 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | trans | -70.8 | 97.6 | 174.6 | -179.2 | -2 | 0 | 0 | 0 | 108.1 | Q1289 R1293 T1294 L1295 | Q1289-N1291 PolarHBondContact O-N 2.96Å; Q1289-N1291 VanDerWaalsContact O-N 3.14Å; N1291-R1293 PolarHBondContact O-N 2.68Å; N1291-R1293 VanDerWaalsContact O-N 3.08Å; N1291-R1293 PolarHBondContact OD1-N 2.99Å; N1291-T1294 WeakPolarHBondContact CB-OG1 3.45Å; N1291-T1294 WeakPolarHBondContact ND2-CG2 3.44Å; N1291-T1294 PolarHBondContact O-N 2.89Å; N1291-T1294 PolarHBondContact O-OG1 2.7Å; N1291-T1294 VanDerWaalsContact O-OG1 3.12Å; N1291-L1295 PolarHBondContact O-N 3.28Å | ||
| 1292 | T | 61.9 | Low | 53.5 | Low | 71 Ų | 71 | 80.5 Ų | 80.5 | 44% | 0.436 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -53.4 | -32.9 | -175.9 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | I1290 L1296 F1399 | I1290-T1292 PolarHBondContact O-N 3.47Å; T1292-L1296 VanDerWaalsContact O-CB 3.26Å; T1292-L1296 WeakPolarHBondContact O-CB 3.25Å; T1292-L1296 PolarHBondContact O-N 2.81Å; T1292-F1399 HydrophobicContact CG2-CE2 4.29Å; T1292-F1399 HydrophobicContact CG2-CZ 4.23Å |
| 1293 | R | 65.7 | Low | 56 | Low | 197 Ų | 197 | 74.6 Ų | 74.6 | 74% | 0.743 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.4 | -41 | 177.7 | -165.3 | 174.7 | -172.9 | 163.6 | 4.7 | 113.2 | N1291 T1297 | N1291-R1293 PolarHBondContact O-N 2.68Å; N1291-R1293 VanDerWaalsContact O-N 3.08Å; N1291-R1293 PolarHBondContact OD1-N 2.99Å; R1293-T1297 PolarHBondContact O-N 2.89Å; R1293-T1297 VanDerWaalsContact O-N 3.08Å; R1293-T1297 PolarHBondContact O-OG1 2.93Å |
| 1294 | T | 64.7 | Low | 58.4 | Low | 22 Ų | 22 | 73.9 Ų | 73.9 | 14% | 0.135 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -78.2 | -32.2 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | Q1142 D1143 N1291 T1297 A1298 | Q1142-T1294 PolarHBondContact OE1-OG1 3.28Å; D1143-T1294 VanDerWaalsContact OD1-CG2 3.32Å; D1143-T1294 WeakPolarHBondContact OD1-CG2 3.3Å; N1291-T1294 WeakPolarHBondContact CB-OG1 3.45Å; N1291-T1294 WeakPolarHBondContact ND2-CG2 3.44Å; N1291-T1294 PolarHBondContact O-N 2.89Å; N1291-T1294 PolarHBondContact O-OG1 2.7Å; N1291-T1294 VanDerWaalsContact O-OG1 3.12Å; T1294-T1297 WeakPolarHBondContact CA-OG1 3.42Å; T1294-T1297 PolarHBondContact O-N 3.07Å; T1294-T1297 PolarHBondContact O-OG1 2.81Å; T1294-A1298 PolarHBondContact O-N 3.26Å; T1294-A1298 VanDerWaalsContact O-N 3.12Å |
| 1295 | L | 70 | Confident | 61 | Low | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 168.3 | -177.9 | 65.5 | 0 | 0 | 0 | 111.2 | I1220 Q1223 I1224 A1227 I1290 N1291 A1298 F1299 F1399 | I1220-L1295 HydrophobicContact CG2-CD1 4.22Å; Q1223-L1295 HydrophobicContact CB-CD1 3.72Å; Q1223-L1295 HydrophobicContact CB-CD2 4.22Å; I1224-L1295 HydrophobicContact CG1-CD1 4.17Å; I1224-L1295 HydrophobicContact CG1-CD2 3.86Å; I1224-L1295 HydrophobicContact CG1-CG 3.98Å; A1227-L1295 HydrophobicContact CB-CD2 4.47Å; I1290-L1295 HydrophobicContact CG2-CB 4.34Å; I1290-L1295 HydrophobicContact CG2-CD2 3.94Å; N1291-L1295 PolarHBondContact O-N 3.28Å; L1295-A1298 PolarHBondContact O-N 3.31Å; L1295-F1299 PolarHBondContact O-N 3.1Å; L1295-F1399 HydrophobicContact CD2-CZ 4.49Å |
| 1296 | L | 72.9 | Confident | 63.2 | Low | 24 Ų | 24 | 60.2 Ų | 60.2 | 13% | 0.126 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 178 | -172.7 | 74.2 | 0 | 0 | 0 | 112.1 | T1292 A1298 F1299 S1300 F1399 E1402 I1403 I1406 | T1292-L1296 VanDerWaalsContact O-CB 3.26Å; T1292-L1296 WeakPolarHBondContact O-CB 3.25Å; T1292-L1296 PolarHBondContact O-N 2.81Å; L1296-A1298 PolarHBondContact O-N 3.11Å; L1296-F1299 PolarHBondContact O-N 3.49Å; L1296-F1299 VanDerWaalsContact O-N 3.09Å; L1296-S1300 PolarHBondContact O-N 3.23Å; L1296-S1300 PolarHBondContact O-OG 2.86Å; L1296-F1399 HydrophobicContact CB-CE2 4.39Å; L1296-F1399 HydrophobicContact CD1-CD2 4.49Å; L1296-F1399 HydrophobicContact CD1-CE2 4.44Å; L1296-E1402 HydrophobicContact CD1-CB 4.07Å; L1296-E1402 HydrophobicContact CD2-CB 4.29Å; L1296-E1402 WeakPolarHBondContact CD2-OE2 3.32Å; L1296-I1403 HydrophobicContact CD1-CG1 4.26Å; L1296-I1406 HydrophobicContact CD1-CD1 4.04Å |
| 1297 | T | 72.5 | Confident | 65.4 | Low | 52 Ų | 52 | 57.5 Ų | 57.5 | 32% | 0.319 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -25.3 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | R1293 T1294 S1300 C1301 | R1293-T1297 PolarHBondContact O-N 2.89Å; R1293-T1297 VanDerWaalsContact O-N 3.08Å; R1293-T1297 PolarHBondContact O-OG1 2.93Å; T1294-T1297 WeakPolarHBondContact CA-OG1 3.42Å; T1294-T1297 PolarHBondContact O-N 3.07Å; T1294-T1297 PolarHBondContact O-OG1 2.81Å; T1297-S1300 PolarHBondContact O-OG 3.46Å; T1297-C1301 PolarHBondContact O-SG 3.17Å |
| 1298 | A | 72.9 | Confident | 67.3 | Low | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -77.6 | -34.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1145 I1220 T1294 L1295 L1296 C1301 | L1145-A1298 HydrophobicContact CD2-CB 4.42Å; I1220-A1298 HydrophobicContact CD1-CB 3.96Å; I1220-A1298 HydrophobicContact CG1-CB 4.4Å; T1294-A1298 PolarHBondContact O-N 3.26Å; T1294-A1298 VanDerWaalsContact O-N 3.12Å; L1295-A1298 PolarHBondContact O-N 3.31Å; L1296-A1298 PolarHBondContact O-N 3.11Å; A1298-C1301 WeakPolarHBondContact O-CB 3.41Å |
| 1299 | F | 79.5 | Confident | 69.3 | Low | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.2 | -40.3 | 177.9 | -170.1 | -126.6 | 0 | 0 | 0 | 113.5 | I1220 I1224 L1295 L1296 C1301 L1302 F1370 I1403 I1406 V1407 | I1220-F1299 HydrophobicContact CG2-CB 4.34Å; I1220-F1299 HydrophobicContact CG2-CD2 4.34Å; I1224-F1299 HydrophobicContact CD1-CB 3.69Å; I1224-F1299 HydrophobicContact CD1-CD1 3.88Å; I1224-F1299 HydrophobicContact CD1-CD2 3.12Å; I1224-F1299 HydrophobicContact CD1-CE1 4.29Å; I1224-F1299 HydrophobicContact CD1-CE2 3.59Å; I1224-F1299 HydrophobicContact CD1-CG 3.28Å; I1224-F1299 HydrophobicContact CD1-CZ 4.16Å; L1295-F1299 PolarHBondContact O-N 3.1Å; L1296-F1299 PolarHBondContact O-N 3.49Å; L1296-F1299 VanDerWaalsContact O-N 3.09Å; F1299-C1301 PolarHBondContact O-N 2.88Å; F1299-C1301 VanDerWaalsContact O-N 3.12Å; F1299-L1302 HydrophobicContact CD2-CD1 3.53Å; F1299-L1302 HydrophobicContact CD2-CG 4.12Å; F1299-L1302 HydrophobicContact CE2-CD1 3.63Å; F1299-L1302 WeakPolarHBondContact O-CB 3.36Å; F1299-L1302 WeakPolarHBondContact O-CG 3.23Å; F1299-L1302 PolarHBondContact O-N 3.05Å; F1299-F1370 AromaticContact CE2-CE1 3.82Å; F1299-F1370 HydrophobicContact CE2-CE1 3.82Å; F1299-F1370 AromaticContact CE2-CZ 3.66Å; F1299-F1370 HydrophobicContact CE2-CZ 3.66Å; F1299-F1370 AromaticContact CZ-CE1 3.83Å; F1299-F1370 HydrophobicContact CZ-CE1 3.83Å; F1299-F1370 AromaticContact CZ-CZ 3.74Å; F1299-F1370 HydrophobicContact CZ-CZ 3.74Å; F1299-I1403 HydrophobicContact CD1-CG1 4.34Å; F1299-I1403 HydrophobicContact CE1-CB 4.37Å; F1299-I1403 HydrophobicContact CE1-CG1 4.28Å; F1299-I1403 HydrophobicContact CE1-CG2 3.94Å; F1299-I1406 HydrophobicContact CD1-CB 4.07Å; F1299-I1406 HydrophobicContact CD1-CD1 3.69Å; F1299-I1406 HydrophobicContact CD1-CG1 4.48Å; F1299-I1406 HydrophobicContact CD1-CG2 3.66Å; F1299-I1406 HydrophobicContact CE1-CB 3.74Å; F1299-I1406 HydrophobicContact CE1-CD1 4.22Å; F1299-I1406 HydrophobicContact CE1-CG2 3.38Å; F1299-I1406 HydrophobicContact CG-CG2 4.35Å; F1299-I1406 HydrophobicContact CZ-CG2 3.88Å; F1299-V1407 HydrophobicContact CE1-CG2 4.46Å; F1299-V1407 HydrophobicContact CZ-CG2 4.08Å |
| 1300 | S | 77.8 | Confident | 70.9 | Confident | 58 Ų | 58 | 38.8 Ų | 38.8 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.7 | 175.8 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | L1296 T1297 P1303 | L1296-S1300 PolarHBondContact O-N 3.23Å; L1296-S1300 PolarHBondContact O-OG 2.86Å; T1297-S1300 PolarHBondContact O-OG 3.46Å; S1300-P1303 WeakPolarHBondContact O-CD 3.43Å |
| 1301 | C | 77.1 | Confident | 71.8 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -18.2 | 167.2 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | L1145 T1297 A1298 F1299 L1304 I1305 | L1145-C1301 HydrophobicContact CD2-CB 4.49Å; T1297-C1301 PolarHBondContact O-SG 3.17Å; A1298-C1301 WeakPolarHBondContact O-CB 3.41Å; F1299-C1301 PolarHBondContact O-N 2.88Å; F1299-C1301 VanDerWaalsContact O-N 3.12Å; C1301-L1304 WeakPolarHBondContact O-CB 3.39Å; C1301-L1304 PolarHBondContact O-N 2.99Å; C1301-L1304 VanDerWaalsContact O-N 3.12Å; C1301-I1305 HydrophobicContact CB-CD1 4.35Å; C1301-I1305 WeakPolarHBondContact O-CG1 3.39Å; C1301-I1305 PolarHBondContact O-N 3.41Å |
| 1302 | L | 79.5 | Confident | 72.5 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | -179.2 | -62.3 | -170 | 0 | 0 | 0 | 113.6 | I1217 F1299 L1304 I1305 S1306 I1410 | I1217-L1302 HydrophobicContact CB-CD2 4.33Å; I1217-L1302 HydrophobicContact CD1-CD2 4.01Å; I1217-L1302 HydrophobicContact CG1-CD2 3.74Å; I1217-L1302 HydrophobicContact CG2-CD1 4.19Å; I1217-L1302 HydrophobicContact CG2-CD2 3.82Å; F1299-L1302 HydrophobicContact CD2-CD1 3.53Å; F1299-L1302 HydrophobicContact CD2-CG 4.12Å; F1299-L1302 HydrophobicContact CE2-CD1 3.63Å; F1299-L1302 WeakPolarHBondContact O-CB 3.36Å; F1299-L1302 WeakPolarHBondContact O-CG 3.23Å; F1299-L1302 PolarHBondContact O-N 3.05Å; L1302-L1304 PolarHBondContact O-N 3.34Å; L1302-I1305 HydrophobicContact CD2-CD1 4.42Å; L1302-I1305 PolarHBondContact O-N 3.3Å; L1302-S1306 WeakPolarHBondContact O-CB 3.37Å; L1302-S1306 PolarHBondContact O-N 3.35Å; L1302-I1410 HydrophobicContact CB-CD1 4.29Å |
| 1303 | P | 76.8 | Confident | 73.1 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 15% | 0.149 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.5 | -37.6 | 169.5 | -25.9 | 33.5 | 0 | 0 | 0 | 112.9 | S1300 S1307 I1406 T1409 I1410 | S1300-P1303 WeakPolarHBondContact O-CD 3.43Å; P1303-S1307 WeakPolarHBondContact O-CB 3.28Å; P1303-S1307 PolarHBondContact O-N 2.77Å; P1303-S1307 PolarHBondContact O-OG 3.22Å; P1303-I1406 HydrophobicContact CG-CG2 3.84Å; P1303-T1409 HydrophobicContact CB-CG2 4.19Å; P1303-T1409 HydrophobicContact CG-CG2 4.45Å; P1303-I1410 HydrophobicContact CG-CD1 4.41Å; P1303-I1410 HydrophobicContact CG-CG1 4.04Å |
| 1304 | L | 75.9 | Confident | 73.4 | Confident | 84 Ų | 84 | 25 Ų | 25 | 44% | 0.44 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -72.2 | -33 | 179.2 | -165 | 71.7 | 0 | 0 | 0 | 112.6 | C1149 P1154 C1301 L1302 S1307 G1308 | C1149-L1304 HydrophobicContact CB-CD2 3.98Å; P1154-L1304 HydrophobicContact CG-CD2 4.24Å; P1154-L1304 HydrophobicContact CG-CG 4.16Å; C1301-L1304 WeakPolarHBondContact O-CB 3.39Å; C1301-L1304 PolarHBondContact O-N 2.99Å; C1301-L1304 VanDerWaalsContact O-N 3.12Å; L1302-L1304 PolarHBondContact O-N 3.34Å; L1304-S1307 WeakPolarHBondContact CA-OG 3.18Å; L1304-S1307 PolarHBondContact O-OG 2.86Å; L1304-G1308 WeakPolarHBondContact O-CA 3.36Å; L1304-G1308 PolarHBondContact O-N 3.33Å |
| 1305 | I | 76.9 | Confident | 73.7 | Confident | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -76 | -39.7 | 175.3 | -66.5 | 162.9 | 0 | 0 | 0 | 111.1 | L1145 P1154 I1217 C1301 L1302 C1309 I1312 | L1145-I1305 HydrophobicContact CD1-CD1 4.34Å; P1154-I1305 HydrophobicContact CG-CG1 4.05Å; I1217-I1305 HydrophobicContact CD1-CG2 4.26Å; C1301-I1305 HydrophobicContact CB-CD1 4.35Å; C1301-I1305 WeakPolarHBondContact O-CG1 3.39Å; C1301-I1305 PolarHBondContact O-N 3.41Å; L1302-I1305 HydrophobicContact CD2-CD1 4.42Å; L1302-I1305 PolarHBondContact O-N 3.3Å; I1305-C1309 WeakPolarHBondContact O-CB 3.2Å; I1305-C1309 PolarHBondContact O-N 2.85Å; I1305-C1309 VanDerWaalsContact O-N 3.13Å; I1305-I1312 HydrophobicContact CG2-CG2 3.74Å |
| 1306 | S | 73 | Confident | 73.8 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -61.8 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | L1302 G1308 C1309 R1313 D1413 | L1302-S1306 WeakPolarHBondContact O-CB 3.37Å; L1302-S1306 PolarHBondContact O-N 3.35Å; S1306-G1308 PolarHBondContact O-N 2.89Å; S1306-C1309 PolarHBondContact O-N 3.29Å; S1306-R1313 PolarHBondContact O-NE 3.46Å; S1306-R1313 PolarHBondContact O-NH2 2.96Å; S1306-D1413 WeakPolarHBondContact CB-OD2 3.46Å; S1306-D1413 PolarHBondContact OG-OD2 3Å |
| 1307 | S | 70.8 | Confident | 73.7 | Confident | 59 Ų | 59 | 27.5 Ų | 27.5 | 41% | 0.413 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55.4 | -52.2 | -178 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | P1303 L1304 R1313 | P1303-S1307 WeakPolarHBondContact O-CB 3.28Å; P1303-S1307 PolarHBondContact O-N 2.77Å; P1303-S1307 PolarHBondContact O-OG 3.22Å; L1304-S1307 WeakPolarHBondContact CA-OG 3.18Å; L1304-S1307 PolarHBondContact O-OG 2.86Å; S1307-R1313 VanDerWaalsContact CA-NH2 3.26Å; S1307-R1313 PolarHBondContact O-NH2 3.08Å |
| 1308 | G | 67.2 | Low | 73.4 | Confident | 18 Ų | 18 | 28.8 Ų | 28.8 | 19% | 0.186 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -84.2 | -3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117 | E1158 L1304 S1306 | E1158-G1308 VanDerWaalsContact CB-O 3.31Å; E1158-G1308 WeakPolarHBondContact CB-O 3.16Å; L1304-G1308 WeakPolarHBondContact O-CA 3.36Å; L1304-G1308 PolarHBondContact O-N 3.33Å; S1306-G1308 PolarHBondContact O-N 2.89Å |
| 1309 | C | 70.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -144.6 | 79.8 | -177.6 | -157.6 | 0 | 0 | 0 | 0 | 114.3 | I1305 S1306 P1311 I1312 R1313 | I1305-C1309 WeakPolarHBondContact O-CB 3.2Å; I1305-C1309 PolarHBondContact O-N 2.85Å; I1305-C1309 VanDerWaalsContact O-N 3.13Å; S1306-C1309 PolarHBondContact O-N 3.29Å; C1309-P1311 VanDerWaalsContact C-N 3.34Å; C1309-P1311 VanDerWaalsContact O-N 3.12Å; C1309-I1312 HydrophobicContact CB-CB 4.22Å; C1309-I1312 HydrophobicContact CB-CD1 4.4Å; C1309-I1312 PolarHBondContact O-N 3.13Å; C1309-R1313 PolarHBondContact O-N 2.96Å | ||
| 1310 | G | 72.1 | Confident | 71.2 | Confident | 23 Ų | 23 | 38 Ų | 38 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -46.3 | -38.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | R1313 L1314 | G1310-R1313 WeakPolarHBondContact O-CB 3.36Å; G1310-L1314 WeakPolarHBondContact O-CG 3.49Å; G1310-L1314 PolarHBondContact O-N 2.72Å |
| 1311 | P | 70.4 | Confident | 69.3 | Low | 19 Ų | 19 | 40.2 Ų | 40.2 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -36.7 | 176.1 | -20.3 | 32.5 | 0 | 0 | 0 | 114.1 | L1161 C1309 K1315 | L1161-P1311 HydrophobicContact CB-CB 4.35Å; L1161-P1311 HydrophobicContact CB-CG 3.86Å; L1161-P1311 HydrophobicContact CD1-CB 4.16Å; L1161-P1311 HydrophobicContact CD1-CG 4.29Å; C1309-P1311 VanDerWaalsContact C-N 3.34Å; C1309-P1311 VanDerWaalsContact O-N 3.12Å; P1311-K1315 PolarHBondContact O-N 2.78Å |
| 1312 | I | 74.6 | Confident | 67 | Low | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -74.6 | -42.3 | 175.5 | -69 | 177.1 | 0 | 0 | 0 | 109.5 | L1157 L1161 A1209 L1212 V1213 I1305 C1309 L1314 K1315 L1316 | L1157-I1312 HydrophobicContact CD1-CD1 3.96Å; L1161-I1312 HydrophobicContact CD1-CD1 4.48Å; L1161-I1312 HydrophobicContact CD1-CG1 4.35Å; A1209-I1312 HydrophobicContact CB-CD1 4.04Å; A1209-I1312 HydrophobicContact CB-CG1 4.06Å; L1212-I1312 HydrophobicContact CD1-CD1 3.96Å; V1213-I1312 HydrophobicContact CG2-CG2 3.96Å; I1305-I1312 HydrophobicContact CG2-CG2 3.74Å; C1309-I1312 HydrophobicContact CB-CB 4.22Å; C1309-I1312 HydrophobicContact CB-CD1 4.4Å; C1309-I1312 PolarHBondContact O-N 3.13Å; I1312-L1314 VanDerWaalsContact C-N 3.31Å; I1312-L1314 PolarHBondContact O-N 2.68Å; I1312-K1315 PolarHBondContact O-N 2.72Å; I1312-K1315 VanDerWaalsContact O-N 3.1Å; I1312-L1316 HydrophobicContact CG2-CD1 3.77Å; I1312-L1316 HydrophobicContact CG2-CG 4.27Å; I1312-L1316 WeakPolarHBondContact O-CG 3.03Å; I1312-L1316 PolarHBondContact O-N 2.93Å |
| 1313 | R | 74.7 | Confident | 64.4 | Low | 20 Ų | 20 | 55.7 Ų | 55.7 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -49.6 | -51.6 | 172.2 | -162.6 | -161.5 | -67.3 | -139 | 9.9 | 111.2 | S1306 S1307 C1309 G1310 K1315 L1316 F1317 D1413 Q1417 | S1306-R1313 PolarHBondContact O-NE 3.46Å; S1306-R1313 PolarHBondContact O-NH2 2.96Å; S1307-R1313 VanDerWaalsContact CA-NH2 3.26Å; S1307-R1313 PolarHBondContact O-NH2 3.08Å; C1309-R1313 PolarHBondContact O-N 2.96Å; G1310-R1313 WeakPolarHBondContact O-CB 3.36Å; R1313-K1315 PolarHBondContact O-N 3.38Å; R1313-L1316 PolarHBondContact O-N 3.21Å; R1313-F1317 HydrophobicContact CG-CD2 3.8Å; R1313-F1317 HydrophobicContact CG-CE2 3.57Å; R1313-F1317 WeakPolarHBondContact O-CD2 3.47Å; R1313-F1317 PolarHBondContact O-N 3.45Å; R1313-D1413 IonicContact CZ-OD1 3.96Å; R1313-D1413 IonicContact CZ-OD2 2.7Å; R1313-D1413 PolarHBondContact NH1-O 2.87Å; R1313-D1413 IonicContact NH1-OD1 3.19Å; R1313-D1413 PolarHBondContact NH1-OD1 3.49Å; R1313-D1413 IonicContact NH1-OD2 2.76Å; R1313-D1413 PolarHBondContact NH1-OD2 2.91Å; R1313-D1413 IonicContact NH2-OD1 3.86Å; R1313-D1413 PolarHBondContact NH2-OD1 3.39Å; R1313-D1413 IonicContact NH2-OD2 2.67Å; R1313-Q1417 VanDerWaalsContact CZ-NE2 3.29Å; R1313-Q1417 VanDerWaalsContact NH1-NE2 3.18Å |
| 1314 | L | 70.7 | Confident | 62 | Low | 84 Ų | 84 | 60.4 Ų | 60.4 | 44% | 0.44 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.2 | -75.7 | 166.4 | 0 | 0 | 0 | 112.6 | G1310 I1312 L1316 F1317 Y1318 | G1310-L1314 WeakPolarHBondContact O-CG 3.49Å; G1310-L1314 PolarHBondContact O-N 2.72Å; I1312-L1314 VanDerWaalsContact C-N 3.31Å; I1312-L1314 PolarHBondContact O-N 2.68Å; L1314-L1316 VanDerWaalsContact C-N 3.32Å; L1314-L1316 PolarHBondContact O-N 3.5Å; L1314-F1317 PolarHBondContact O-N 2.94Å; L1314-Y1318 VanDerWaalsContact O-CA 3.32Å; L1314-Y1318 WeakPolarHBondContact O-CA 3.24Å; L1314-Y1318 WeakPolarHBondContact O-CB 3.47Å; L1314-Y1318 PolarHBondContact O-N 3.25Å |
| 1315 | K | 71.5 | Confident | 59.6 | Low | 84 Ų | 84 | 61.8 Ų | 61.8 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.1 | -31.2 | 178.4 | -76.2 | -173.9 | 167.9 | -177.5 | 0 | 113.8 | D1210 V1213 P1311 I1312 R1313 | D1210-K1315 IonicContact OD1-NZ 3.44Å; D1210-K1315 PolarHBondContact OD1-NZ 2.99Å; D1210-K1315 IonicContact OD2-NZ 3.37Å; D1210-K1315 PolarHBondContact OD2-NZ 3.39Å; V1213-K1315 HydrophobicContact CG1-CB 3.99Å; V1213-K1315 HydrophobicContact CG2-CB 3.93Å; V1213-K1315 HydrophobicContact CG2-CD 4.36Å; P1311-K1315 PolarHBondContact O-N 2.78Å; I1312-K1315 PolarHBondContact O-N 2.72Å; I1312-K1315 VanDerWaalsContact O-N 3.1Å; R1313-K1315 PolarHBondContact O-N 3.38Å |
| 1316 | L | 73.2 | Confident | 57.1 | Low | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -77.1 | -26.8 | 179.7 | -71.2 | 170.5 | 0 | 0 | 0 | 114 | V1213 I1217 I1312 R1313 L1314 V1367 | V1213-L1316 HydrophobicContact CG1-CD2 4.42Å; V1213-L1316 HydrophobicContact CG2-CD2 4.42Å; V1213-L1316 HydrophobicContact CG2-CG 4.4Å; I1217-L1316 HydrophobicContact CB-CD2 4.36Å; I1217-L1316 HydrophobicContact CD1-CD1 3.89Å; I1217-L1316 HydrophobicContact CD1-CD2 4.2Å; I1217-L1316 HydrophobicContact CG2-CD2 3.94Å; I1312-L1316 HydrophobicContact CG2-CD1 3.77Å; I1312-L1316 HydrophobicContact CG2-CG 4.27Å; I1312-L1316 WeakPolarHBondContact O-CG 3.03Å; I1312-L1316 PolarHBondContact O-N 2.93Å; R1313-L1316 PolarHBondContact O-N 3.21Å; L1314-L1316 VanDerWaalsContact C-N 3.32Å; L1314-L1316 PolarHBondContact O-N 3.5Å; L1316-V1367 HydrophobicContact CB-CG2 3.93Å; L1316-V1367 HydrophobicContact CD2-CG2 4.3Å; L1316-V1367 PolarHBondContact O-N 2.89Å; L1316-V1367 VanDerWaalsContact O-N 3.17Å |
| 1317 | F | 70.5 | Confident | 54.7 | Low | 4 Ų | 4 | 74.2 Ų | 74.2 | 2% | 0.018 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -105.5 | -15.4 | 178 | -59.6 | -59.8 | 0 | 0 | 0 | 113.7 | R1313 L1314 V1367 L1368 I1410 I1414 L1420 R1424 | R1313-F1317 HydrophobicContact CG-CD2 3.8Å; R1313-F1317 HydrophobicContact CG-CE2 3.57Å; R1313-F1317 WeakPolarHBondContact O-CD2 3.47Å; R1313-F1317 PolarHBondContact O-N 3.45Å; L1314-F1317 PolarHBondContact O-N 2.94Å; F1317-V1367 HydrophobicContact CD1-CB 3.89Å; F1317-V1367 HydrophobicContact CD1-CG1 4.4Å; F1317-V1367 HydrophobicContact CE1-CB 3.53Å; F1317-V1367 HydrophobicContact CE1-CG1 3.57Å; F1317-V1367 HydrophobicContact CE1-CG2 4.35Å; F1317-V1367 HydrophobicContact CZ-CB 4.43Å; F1317-V1367 HydrophobicContact CZ-CG1 4.25Å; F1317-L1368 HydrophobicContact CD1-CD2 4.39Å; F1317-L1368 HydrophobicContact CD1-CG 4.28Å; F1317-I1410 HydrophobicContact CE1-CG2 4.48Å; F1317-I1410 HydrophobicContact CZ-CG2 4.08Å; F1317-I1414 HydrophobicContact CD1-CD1 4.12Å; F1317-I1414 HydrophobicContact CE1-CD1 3.37Å; F1317-I1414 HydrophobicContact CE1-CG1 3.99Å; F1317-I1414 HydrophobicContact CE2-CD1 4.31Å; F1317-I1414 HydrophobicContact CE2-CG1 4.01Å; F1317-I1414 HydrophobicContact CZ-CD1 3.51Å; F1317-I1414 HydrophobicContact CZ-CG1 3.67Å; F1317-L1420 HydrophobicContact CB-CD1 4.06Å; F1317-L1420 HydrophobicContact CB-CD2 4.33Å; F1317-L1420 HydrophobicContact CD2-CD2 3.79Å; F1317-L1420 HydrophobicContact CE2-CD2 4.42Å; F1317-L1420 HydrophobicContact CG-CD2 4.2Å; F1317-R1424 PolarHBondContact O-NH1 2.86Å |
| 1318 | Y | 64.6 | Low | 52.6 | Low | 79 Ų | 79 | 79.2 Ų | 79.2 | 31% | 0.31 | 44% | 0.443 | S | S | . | . | trans | -136.1 | 71.2 | -177.3 | -152.7 | -78.9 | 0 | 0 | 0 | 110.5 | L1314 | L1314-Y1318 VanDerWaalsContact O-CA 3.32Å; L1314-Y1318 WeakPolarHBondContact O-CA 3.24Å; L1314-Y1318 WeakPolarHBondContact O-CB 3.47Å; L1314-Y1318 PolarHBondContact O-N 3.25Å | ||
| 1319 | P | 58.5 | Low | 50.6 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 29% | 0.286 | 47% | 0.472 | S | S | . | . | trans | -57.8 | 145.4 | 161.9 | 27 | -34.1 | 0 | 0 | 0 | 109.6 | D1321 | P1319-D1321 PolarHBondContact O-N 2.89Š| ||
| 1320 | H | 48.5 | Very low | 48.3 | Very low | 151 Ų | 151 | 92.6 Ų | 92.6 | 70% | 0.699 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -88.7 | -6.5 | -151.5 | -119.4 | -89.9 | 0 | 0 | 0 | 115.9 | L1322 | H1320-L1322 PolarHBondContact O-N 3.27Š|
| 1321 | D | 37.6 | Very low | 46.1 | Very low | 104 Ų | 104 | 99.6 Ų | 99.6 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | trans | -104.9 | 72.9 | -157.7 | -51.2 | -71.8 | 0 | 0 | 0 | 113.4 | P1319 | P1319-D1321 PolarHBondContact O-N 2.89Š| ||
| 1322 | L | 29 | Very low | 43.9 | Very low | 164 Ų | 164 | 106.8 Ų | 106.8 | 86% | 0.859 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -159.8 | 5.2 | 174.7 | -118 | 158.7 | 0 | 0 | 0 | 118.2 | H1320 | H1320-L1322 PolarHBondContact O-N 3.27Š|
| 1323 | K | 26.1 | Very low | 41.5 | Very low | 186 Ų | 186 | 111.6 Ų | 111.6 | 81% | 0.809 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -143.4 | 54.4 | -176 | -69.5 | -165 | 174.7 | -174.7 | 0 | 115.2 | ||
| 1324 | S | 24.7 | Very low | 39.1 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 85% | 0.846 | 64% | 0.639 | S | S | * | * | trans | -149.8 | 50.2 | 174.4 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1325 | S | 25.8 | Very low | 37 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | trans | -142.7 | 86.6 | 168.4 | 55.1 | 0 | 0 | 0 | 0 | 109.1 | E1327 | S1325-E1327 VanDerWaalsContact C-N 3.28Å; S1325-E1327 PolarHBondContact O-N 3.27Å | ||
| 1326 | G | 24.1 | Very low | 34.8 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 92% | 0.918 | 67% | 0.674 | S | S | * | * | trans | -83.2 | 54.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1327 | E | 24.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -156.8 | 93 | 174.8 | -130.8 | 170.3 | -138.7 | 0 | 0 | 111.6 | S1325 | S1325-E1327 VanDerWaalsContact C-N 3.28Å; S1325-E1327 PolarHBondContact O-N 3.27Å | ||
| 1328 | L | 25.6 | Very low | 30.3 | Very low | 164 Ų | 164 | 135 Ų | 135 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -176.5 | 93.6 | 152.7 | -106.2 | 163.4 | 0 | 0 | 0 | 109.9 | ||||
| 1329 | N | 24.3 | Very low | 28.5 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -77 | 133.9 | 164 | -74.7 | -56.6 | 0 | 0 | 0 | 109.4 | ||||
| 1330 | N | 23.3 | Very low | 26.9 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 37.5 | 80.8 | 150.7 | -59.5 | -14.8 | 0 | 0 | 0 | 117.9 | ||
| 1331 | K | 25 | Very low | 25.9 | Very low | 171 Ų | 171 | 139 Ų | 139 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 179.9 | 152.8 | 141.6 | -101.6 | 154 | -169.5 | -176.9 | 0 | 112.6 | ||||
| 1332 | E | 25.1 | Very low | 25.5 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 63.3 | 140.2 | 157.1 | -69 | 149.7 | -128.2 | 0 | 0 | 117.2 | ||||
| 1333 | C | 24.1 | Very low | 25.5 | Very low | 103 Ų | 103 | 135 Ų | 135 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | cis | -150.6 | 126.6 | -4.2 | -137.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1334 | H | 24.1 | Very low | 25.5 | Very low | 198 Ų | 198 | 132.9 Ų | 132.9 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -89.2 | 131.1 | 150.3 | -76.7 | -78.9 | 0 | 0 | 0 | 107.9 | ||||
| 1335 | S | 27.9 | Very low | 25.7 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -150.5 | 115.1 | 168.2 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1336 | T | 24.5 | Very low | 25.9 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -88.5 | 147.3 | 175.3 | 39.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1337 | T | 24.7 | Very low | 25.9 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 62.2 | 134.8 | 145.8 | 53.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1338 | N | 24.2 | Very low | 26.2 | Very low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | 95 | 155.4 | 144.5 | -62.5 | -23.7 | 0 | 0 | 0 | 121.5 | ||||
| 1339 | L | 26.8 | Very low | 26.2 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 86.8 | 65.7 | 162.5 | -66.5 | 152.6 | 0 | 0 | 0 | 120.4 | ||||
| 1340 | S | 24.4 | Very low | 26.3 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 65.3 | 154.1 | 109.1 | 68.6 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1341 | A | 28.4 | Very low | 26.4 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | 74.3 | 137 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1342 | S | 29.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | cis | -162.3 | 147 | -12.4 | -174.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1343 | G | 28 | Very low | 26.7 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | cis | 170.1 | -170.3 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1344 | V | 27.6 | Very low | 26.7 | Very low | 142 Ų | 142 | 120 Ų | 120 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 69.5 | 124.5 | 159.8 | 178.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1345 | V | 28 | Very low | 26.8 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | cis | -164.6 | 150.1 | -5.1 | 92.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1346 | T | 29.7 | Very low | 26.7 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 57.3 | 161.5 | 162.2 | 59.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1347 | S | 25.1 | Very low | 26.7 | Very low | 104 Ų | 104 | 115.7 Ų | 115.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | 178.5 | 114.1 | -57.1 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1348 | S | 29.9 | Very low | 26.7 | Very low | 130 Ų | 130 | 115.7 Ų | 115.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -171.9 | 145.9 | 153.3 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1349 | S | 25.4 | Very low | 26.8 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -100.8 | 135.9 | -168.3 | 53.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1350 | S | 27.7 | Very low | 26.7 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -160.3 | 132.2 | 141.6 | 58 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1351 | S | 24.9 | Very low | 26.9 | Very low | 125 Ų | 125 | 114 Ų | 114 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -41.4 | 123.9 | 177.4 | 51.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1352 | S | 28.5 | Very low | 26.9 | Very low | 116 Ų | 116 | 113 Ų | 113 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -153.1 | 146.3 | 148.8 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1353 | S | 27.2 | Very low | 27.5 | Very low | 124 Ų | 124 | 111.2 Ų | 111.2 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 138.9 | -176.1 | 37.8 | 0 | 0 | 0 | 0 | 112 | ||
| 1354 | G | 25.6 | Very low | 28.7 | Very low | 79 Ų | 79 | 110.8 Ų | 110.8 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 132.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1355 | G | 24.8 | Very low | 30.6 | Very low | 80 Ų | 80 | 107.1 Ų | 107.1 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 142.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1356 | I | 26.8 | Very low | 32.7 | Very low | 162 Ų | 162 | 102.4 Ų | 102.4 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | trans | -106.5 | 142 | 174.1 | -68 | 177.7 | 0 | 0 | 0 | 107.6 | ||||
| 1357 | P | 24.9 | Very low | 35 | Very low | 101 Ų | 101 | 97.2 Ų | 97.2 | 66% | 0.656 | 68% | 0.681 | S | S | * | * | trans | -72.5 | 151 | -152.7 | 25.5 | -35.4 | 0 | 0 | 0 | 115.9 | S1359 | P1357-S1359 VanDerWaalsContact C-N 3.32Å; P1357-S1359 PolarHBondContact O-N 2.85Å | ||
| 1358 | S | 24.5 | Very low | 37.5 | Very low | 114 Ų | 114 | 92.5 Ų | 92.5 | 80% | 0.797 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -84.2 | 64.2 | -177.2 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1359 | S | 24.9 | Very low | 39.7 | Very low | 92 Ų | 92 | 88.8 Ų | 88.8 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | trans | -140.5 | 43.2 | -173.7 | 57.9 | 0 | 0 | 0 | 0 | 114 | P1357 | P1357-S1359 VanDerWaalsContact C-N 3.32Å; P1357-S1359 PolarHBondContact O-N 2.85Å | ||
| 1360 | T | 26 | Very low | 42.4 | Very low | 105 Ų | 105 | 83.4 Ų | 83.4 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | trans | -145.4 | 59.5 | 176.4 | -29.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1361 | I | 27.9 | Very low | 45 | Very low | 172 Ų | 172 | 78.3 Ų | 78.3 | 88% | 0.882 | 55% | 0.547 | S | S | * | . | trans | -94.3 | 2.6 | 173.6 | -60.4 | 178.4 | 0 | 0 | 0 | 111.4 | ||||
| 1362 | G | 29 | Very low | 47.6 | Very low | 80 Ų | 80 | 72.6 Ų | 72.6 | 83% | 0.825 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -82.4 | -11.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1363 | S | 40.8 | Very low | 49.9 | Very low | 85 Ų | 85 | 73.7 Ų | 73.7 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -96.6 | 120.7 | 180 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1364 | G | 54.1 | Low | 52.5 | Low | 50 Ų | 50 | 67.8 Ų | 67.8 | 52% | 0.515 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 149.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | C1366 | G1364-C1366 PolarHBondContact O-N 3.37Š|
| 1365 | F | 66.9 | Low | 55.1 | Low | 65 Ų | 65 | 64 Ų | 64 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 131 | 176.4 | 173.6 | -98.7 | 0 | 0 | 0 | 111.7 | I1217 P1218 C1221 V1367 F1370 | I1217-F1365 HydrophobicContact CG2-CE1 4.3Å; P1218-F1365 HydrophobicContact CB-CB 4.2Å; P1218-F1365 HydrophobicContact CB-CD1 4.28Å; P1218-F1365 HydrophobicContact CB-CD2 4.12Å; P1218-F1365 HydrophobicContact CB-CG 3.94Å; P1218-F1365 HydrophobicContact CG-CB 3.94Å; P1218-F1365 HydrophobicContact CG-CD1 3.8Å; P1218-F1365 HydrophobicContact CG-CD2 4.48Å; P1218-F1365 HydrophobicContact CG-CE1 4.42Å; P1218-F1365 HydrophobicContact CG-CG 3.83Å; C1221-F1365 HydrophobicContact CB-CE2 3.91Å; C1221-F1365 HydrophobicContact CB-CZ 3.65Å; F1365-V1367 HydrophobicContact CD1-CG2 4.48Å; F1365-V1367 HydrophobicContact CE1-CG2 3.62Å; F1365-V1367 HydrophobicContact CZ-CG2 4.21Å; F1365-F1370 HydrophobicContact CE2-CB 4.25Å; F1365-F1370 HydrophobicContact CZ-CB 4.24Å |
| 1366 | C | 71.9 | Confident | 57.6 | Low | 16 Ų | 16 | 65.2 Ų | 65.2 | 11% | 0.108 | 40% | 0.398 | C | S | . | . | trans | -126.3 | 122.5 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | G1364 L1368 S1369 F1370 | G1364-C1366 PolarHBondContact O-N 3.37Å; C1366-L1368 PolarHBondContact O-N 2.95Å; C1366-S1369 PolarHBondContact O-N 3.23Å; C1366-S1369 VanDerWaalsContact O-N 3.08Å; C1366-S1369 PolarHBondContact O-OG 3.39Å; C1366-F1370 PolarHBondContact O-N 3.43Å | ||
| 1367 | V | 78.2 | Confident | 59.8 | Low | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63 | -28.9 | -176.9 | 176 | 0 | 0 | 0 | 0 | 112.6 | L1316 F1317 F1365 S1369 F1370 A1371 I1410 | L1316-V1367 HydrophobicContact CB-CG2 3.93Å; L1316-V1367 HydrophobicContact CD2-CG2 4.3Å; L1316-V1367 PolarHBondContact O-N 2.89Å; L1316-V1367 VanDerWaalsContact O-N 3.17Å; F1317-V1367 HydrophobicContact CD1-CB 3.89Å; F1317-V1367 HydrophobicContact CD1-CG1 4.4Å; F1317-V1367 HydrophobicContact CE1-CB 3.53Å; F1317-V1367 HydrophobicContact CE1-CG1 3.57Å; F1317-V1367 HydrophobicContact CE1-CG2 4.35Å; F1317-V1367 HydrophobicContact CZ-CB 4.43Å; F1317-V1367 HydrophobicContact CZ-CG1 4.25Å; F1365-V1367 HydrophobicContact CD1-CG2 4.48Å; F1365-V1367 HydrophobicContact CE1-CG2 3.62Å; F1365-V1367 HydrophobicContact CZ-CG2 4.21Å; V1367-S1369 VanDerWaalsContact C-N 3.33Å; V1367-S1369 PolarHBondContact O-N 3.21Å; V1367-F1370 PolarHBondContact O-N 2.81Å; V1367-A1371 PolarHBondContact O-N 3.41Å; V1367-I1410 HydrophobicContact CG1-CG2 4.34Å |
| 1368 | L | 77.4 | Confident | 62.1 | Low | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 174.5 | -63.2 | 177.3 | 0 | 0 | 0 | 111.8 | F1317 C1366 F1370 A1371 S1372 I1414 R1424 D1427 L1428 I1432 | F1317-L1368 HydrophobicContact CD1-CD2 4.39Å; F1317-L1368 HydrophobicContact CD1-CG 4.28Å; C1366-L1368 PolarHBondContact O-N 2.95Å; L1368-F1370 VanDerWaalsContact C-N 3.33Å; L1368-F1370 PolarHBondContact O-N 2.93Å; L1368-A1371 PolarHBondContact O-N 3.34Å; L1368-S1372 WeakPolarHBondContact O-CB 3.39Å; L1368-S1372 PolarHBondContact O-N 2.95Å; L1368-I1414 HydrophobicContact CD2-CD1 4.08Å; L1368-R1424 HydrophobicContact CD1-CB 4.33Å; L1368-R1424 HydrophobicContact CD1-CG 4.48Å; L1368-D1427 HydrophobicContact CD1-CB 4.08Å; L1368-L1428 HydrophobicContact CD2-CD2 3.85Å; L1368-I1432 HydrophobicContact CD2-CG1 4.33Å |
| 1369 | S | 75.9 | Confident | 64.2 | Low | 53 Ų | 53 | 53.3 Ų | 53.3 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.8 | -30.6 | 177 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | C1366 V1367 R1373 | C1366-S1369 PolarHBondContact O-N 3.23Å; C1366-S1369 VanDerWaalsContact O-N 3.08Å; C1366-S1369 PolarHBondContact O-OG 3.39Å; V1367-S1369 VanDerWaalsContact C-N 3.33Å; V1367-S1369 PolarHBondContact O-N 3.21Å; S1369-R1373 WeakPolarHBondContact O-CG 3.33Å; S1369-R1373 PolarHBondContact O-N 3.16Å |
| 1370 | F | 82.5 | Confident | 66 | Low | 5 Ų | 5 | 52.5 Ų | 52.5 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.2 | -45.7 | 173.5 | 162.4 | -94.8 | 0 | 0 | 0 | 111.5 | C1221 I1224 L1225 F1299 F1365 C1366 V1367 L1368 L1374 V1407 | C1221-F1370 HydrophobicContact CB-CD2 3.7Å; C1221-F1370 HydrophobicContact CB-CE2 3.66Å; C1221-F1370 HydrophobicContact CB-CG 4.28Å; C1221-F1370 HydrophobicContact CB-CZ 4.21Å; I1224-F1370 HydrophobicContact CG2-CZ 4.47Å; L1225-F1370 HydrophobicContact CD1-CD2 3.98Å; L1225-F1370 HydrophobicContact CD2-CD2 4.11Å; L1225-F1370 HydrophobicContact CD2-CE2 4.19Å; L1225-F1370 HydrophobicContact CG-CD2 3.88Å; L1225-F1370 HydrophobicContact CG-CE2 3.98Å; F1299-F1370 AromaticContact CE2-CE1 3.82Å; F1299-F1370 HydrophobicContact CE2-CE1 3.82Å; F1299-F1370 AromaticContact CE2-CZ 3.66Å; F1299-F1370 HydrophobicContact CE2-CZ 3.66Å; F1299-F1370 AromaticContact CZ-CE1 3.83Å; F1299-F1370 HydrophobicContact CZ-CE1 3.83Å; F1299-F1370 AromaticContact CZ-CZ 3.74Å; F1299-F1370 HydrophobicContact CZ-CZ 3.74Å; F1365-F1370 HydrophobicContact CE2-CB 4.25Å; F1365-F1370 HydrophobicContact CZ-CB 4.24Å; C1366-F1370 PolarHBondContact O-N 3.43Å; V1367-F1370 PolarHBondContact O-N 2.81Å; L1368-F1370 VanDerWaalsContact C-N 3.33Å; L1368-F1370 PolarHBondContact O-N 2.93Å; F1370-L1374 HydrophobicContact CD1-CD1 4.4Å; F1370-L1374 HydrophobicContact CD2-CD1 4.45Å; F1370-L1374 HydrophobicContact CE1-CD1 3.81Å; F1370-L1374 HydrophobicContact CE2-CD1 3.88Å; F1370-L1374 HydrophobicContact CZ-CD1 3.53Å; F1370-L1374 PolarHBondContact O-N 3.09Å; F1370-V1407 HydrophobicContact CE1-CG2 4.42Å |
| 1371 | A | 82.4 | Confident | 67 | Low | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1367 L1368 R1373 L1374 L1375 V1407 I1411 I1432 | V1367-A1371 PolarHBondContact O-N 3.41Å; L1368-A1371 PolarHBondContact O-N 3.34Å; A1371-R1373 PolarHBondContact O-N 2.93Å; A1371-L1374 PolarHBondContact O-N 3.49Å; A1371-L1375 WeakPolarHBondContact O-CG 3.49Å; A1371-L1375 PolarHBondContact O-N 2.91Å; A1371-V1407 HydrophobicContact CB-CG1 4.21Å; A1371-I1411 HydrophobicContact CB-CD1 4.44Å; A1371-I1432 HydrophobicContact CB-CD1 3.98Å |
| 1372 | S | 79.5 | Confident | 67.9 | Low | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.3 | -51.3 | 176.5 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | L1368 L1374 L1375 E1376 L1431 | L1368-S1372 WeakPolarHBondContact O-CB 3.39Å; L1368-S1372 PolarHBondContact O-N 2.95Å; S1372-L1374 VanDerWaalsContact C-N 3.27Å; S1372-L1374 PolarHBondContact O-N 3.24Å; S1372-L1375 CarbonylContact O-C 3.58Å; S1372-L1375 PolarHBondContact O-N 3.45Å; S1372-L1375 VanDerWaalsContact O-N 3.1Å; S1372-E1376 WeakPolarHBondContact O-CG 3.44Å; S1372-E1376 PolarHBondContact O-N 3.29Å; S1372-L1431 VanDerWaalsContact CB-O 3.26Å; S1372-L1431 WeakPolarHBondContact CB-O 3.37Å; S1372-L1431 PolarHBondContact OG-O 3.28Å |
| 1373 | R | 77.8 | Confident | 68.4 | Low | 138 Ų | 138 | 48.5 Ų | 48.5 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60 | -32.2 | 177.6 | -74.3 | 177.2 | 178.1 | -177.3 | 0.8 | 114.4 | S1369 A1371 H1377 | S1369-R1373 WeakPolarHBondContact O-CG 3.33Å; S1369-R1373 PolarHBondContact O-N 3.16Å; A1371-R1373 PolarHBondContact O-N 2.93Å; R1373-H1377 WeakPolarHBondContact O-CB 3.31Å; R1373-H1377 PolarHBondContact O-N 2.97Å; R1373-H1377 VanDerWaalsContact O-N 3.12Å |
| 1374 | L | 80.8 | Confident | 68.2 | Low | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.8 | -42.2 | 175 | -72.1 | 170.3 | 0 | 0 | 0 | 111.3 | L1225 V1228 L1230 F1370 A1371 S1372 E1376 H1377 W1378 I1403 V1407 | L1225-L1374 HydrophobicContact CD2-CD2 4.1Å; L1225-L1374 HydrophobicContact CD2-CG 4.15Å; V1228-L1374 HydrophobicContact CG1-CD2 4.35Å; L1230-L1374 HydrophobicContact CD1-CD2 3.78Å; F1370-L1374 HydrophobicContact CD1-CD1 4.4Å; F1370-L1374 HydrophobicContact CD2-CD1 4.45Å; F1370-L1374 HydrophobicContact CE1-CD1 3.81Å; F1370-L1374 HydrophobicContact CE2-CD1 3.88Å; F1370-L1374 HydrophobicContact CZ-CD1 3.53Å; F1370-L1374 PolarHBondContact O-N 3.09Å; A1371-L1374 PolarHBondContact O-N 3.49Å; S1372-L1374 VanDerWaalsContact C-N 3.27Å; S1372-L1374 PolarHBondContact O-N 3.24Å; L1374-E1376 VanDerWaalsContact C-N 3.34Å; L1374-E1376 PolarHBondContact O-N 3.04Å; L1374-H1377 WeakPolarHBondContact O-CB 3.25Å; L1374-H1377 PolarHBondContact O-N 2.85Å; L1374-W1378 VanDerWaalsContact C-CE3 3.45Å; L1374-W1378 HydrophobicContact CB-CE3 4.09Å; L1374-W1378 HydrophobicContact CB-CH2 3.89Å; L1374-W1378 HydrophobicContact CB-CZ3 3.62Å; L1374-W1378 HydrophobicContact CD1-CH2 4.42Å; L1374-W1378 HydrophobicContact CD2-CH2 4.45Å; L1374-W1378 HydrophobicContact CG-CH2 4.49Å; L1374-W1378 VanDerWaalsContact O-CD2 3.27Å; L1374-W1378 PolarHBondContact O-N 3.07Å; L1374-I1403 HydrophobicContact CD1-CG2 4.36Å; L1374-V1407 HydrophobicContact CD1-CG2 3.83Å |
| 1375 | L | 81.1 | Confident | 67.5 | Low | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 172.9 | -68.1 | 173.4 | 0 | 0 | 0 | 112.4 | A1371 S1372 W1378 T1379 I1411 I1432 L1439 | A1371-L1375 WeakPolarHBondContact O-CG 3.49Å; A1371-L1375 PolarHBondContact O-N 2.91Å; S1372-L1375 CarbonylContact O-C 3.58Å; S1372-L1375 PolarHBondContact O-N 3.45Å; S1372-L1375 VanDerWaalsContact O-N 3.1Å; L1375-W1378 HydrophobicContact CD2-CE3 4.49Å; L1375-T1379 WeakPolarHBondContact O-CB 3.35Å; L1375-T1379 VanDerWaalsContact O-CG2 3.31Å; L1375-T1379 WeakPolarHBondContact O-CG2 3.31Å; L1375-T1379 PolarHBondContact O-N 2.95Å; L1375-T1379 VanDerWaalsContact O-N 3.09Å; L1375-T1379 PolarHBondContact O-OG1 3.13Å; L1375-I1411 HydrophobicContact CD1-CD1 3.94Å; L1375-I1432 HydrophobicContact CD1-CD1 3.99Å; L1375-I1432 HydrophobicContact CD1-CG2 4.05Å; L1375-L1439 HydrophobicContact CD2-CD1 3.55Å |
| 1376 | E | 75.9 | Confident | 66.2 | Low | 104 Ų | 104 | 51 Ų | 51 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 172.4 | -73 | 176.8 | 147.4 | 0 | 0 | 111.3 | S1372 L1374 W1378 T1379 S1380 | S1372-E1376 WeakPolarHBondContact O-CG 3.44Å; S1372-E1376 PolarHBondContact O-N 3.29Å; L1374-E1376 VanDerWaalsContact C-N 3.34Å; L1374-E1376 PolarHBondContact O-N 3.04Å; E1376-W1378 PolarHBondContact O-N 3Å; E1376-T1379 CarbonylContact O-C 3.48Å; E1376-T1379 PolarHBondContact O-N 3.48Å; E1376-T1379 VanDerWaalsContact O-N 3.13Å; E1376-S1380 PolarHBondContact O-N 3.36Å |
| 1377 | H | 74.2 | Confident | 64.4 | Low | 64 Ų | 64 | 53.9 Ų | 53.9 | 30% | 0.296 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 177.4 | -172.5 | 53.3 | 0 | 0 | 0 | 112.5 | L1230 R1373 L1374 T1379 | L1230-H1377 HydrophobicContact CD1-CB 3.97Å; L1230-H1377 HydrophobicContact CD2-CB 3.95Å; L1230-H1377 HydrophobicContact CG-CB 4.42Å; R1373-H1377 WeakPolarHBondContact O-CB 3.31Å; R1373-H1377 PolarHBondContact O-N 2.97Å; R1373-H1377 VanDerWaalsContact O-N 3.12Å; L1374-H1377 WeakPolarHBondContact O-CB 3.25Å; L1374-H1377 PolarHBondContact O-N 2.85Å; H1377-T1379 PolarHBondContact O-N 3.43Å |
| 1378 | W | 72 | Confident | 62.3 | Low | 43 Ų | 43 | 57.8 Ų | 57.8 | 16% | 0.163 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.4 | 177.4 | -62.5 | -49.8 | 0 | 0 | 0 | 114.5 | L1374 L1375 E1376 I1403 L1404 V1407 L1439 | L1374-W1378 VanDerWaalsContact C-CE3 3.45Å; L1374-W1378 HydrophobicContact CB-CE3 4.09Å; L1374-W1378 HydrophobicContact CB-CH2 3.89Å; L1374-W1378 HydrophobicContact CB-CZ3 3.62Å; L1374-W1378 HydrophobicContact CD1-CH2 4.42Å; L1374-W1378 HydrophobicContact CD2-CH2 4.45Å; L1374-W1378 HydrophobicContact CG-CH2 4.49Å; L1374-W1378 VanDerWaalsContact O-CD2 3.27Å; L1374-W1378 PolarHBondContact O-N 3.07Å; L1375-W1378 HydrophobicContact CD2-CE3 4.49Å; E1376-W1378 PolarHBondContact O-N 3Å; W1378-I1403 HydrophobicContact CH2-CG2 3.99Å; W1378-I1403 HydrophobicContact CZ2-CG2 4.1Å; W1378-L1404 HydrophobicContact CD2-CD1 4.1Å; W1378-L1404 HydrophobicContact CE3-CD1 3.57Å; W1378-L1404 VanDerWaalsContact CH2-CA 3.47Å; W1378-L1404 HydrophobicContact CH2-CB 3.82Å; W1378-L1404 HydrophobicContact CH2-CD1 3.98Å; W1378-L1404 HydrophobicContact CZ2-CB 3.87Å; W1378-L1404 HydrophobicContact CZ2-CD1 4.47Å; W1378-L1404 HydrophobicContact CZ3-CB 4.25Å; W1378-L1404 HydrophobicContact CZ3-CD1 3.49Å; W1378-L1404 VanDerWaalsContact CZ3-CD1 3.49Å; W1378-L1404 HydrophobicContact CZ3-CG 4.48Å; W1378-V1407 HydrophobicContact CH2-CB 4.45Å; W1378-V1407 HydrophobicContact CH2-CG2 4.31Å; W1378-V1407 HydrophobicContact CZ3-CB 4.4Å; W1378-V1407 HydrophobicContact CZ3-CG1 4.34Å; W1378-L1439 HydrophobicContact CB-CD2 4.46Å |
| 1379 | T | 68.4 | Low | 60.1 | Low | 20 Ų | 20 | 60.7 Ų | 60.7 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 13.1 | -179.7 | 64.8 | 0 | 0 | 0 | 0 | 114.2 | L1375 E1376 H1377 A1381 R1438 L1439 | L1375-T1379 WeakPolarHBondContact O-CB 3.35Å; L1375-T1379 VanDerWaalsContact O-CG2 3.31Å; L1375-T1379 WeakPolarHBondContact O-CG2 3.31Å; L1375-T1379 PolarHBondContact O-N 2.95Å; L1375-T1379 VanDerWaalsContact O-N 3.09Å; L1375-T1379 PolarHBondContact O-OG1 3.13Å; E1376-T1379 CarbonylContact O-C 3.48Å; E1376-T1379 PolarHBondContact O-N 3.48Å; E1376-T1379 VanDerWaalsContact O-N 3.13Å; H1377-T1379 PolarHBondContact O-N 3.43Å; T1379-A1381 PolarHBondContact O-N 3.03Å; T1379-R1438 VanDerWaalsContact CB-NE 3.33Å; T1379-R1438 HydrophobicContact CG2-CB 3.65Å; T1379-R1438 PolarHBondContact OG1-NE 2.91Å; T1379-R1438 PolarHBondContact OG1-NH2 2.92Å; T1379-L1439 HydrophobicContact CG2-CD2 3.86Å; T1379-L1439 HydrophobicContact CG2-CG 3.77Å |
| 1380 | S | 62.9 | Low | 58.1 | Low | 76 Ų | 76 | 60.8 Ų | 60.8 | 53% | 0.531 | 38% | 0.384 | S | S | . | . | trans | -72.1 | 121.1 | 175.8 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | E1376 D1382 | E1376-S1380 PolarHBondContact O-N 3.36Å; S1380-D1382 PolarHBondContact O-N 3.38Å | ||
| 1381 | A | 47.8 | Very low | 55.5 | Low | 102 Ų | 102 | 70 Ų | 70 | 84% | 0.843 | 42% | 0.424 | S | S | * | . | trans | -83.8 | 31.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1379 P1383 | T1379-A1381 PolarHBondContact O-N 3.03Å; A1381-P1383 WeakPolarHBondContact O-CD 3.39Å | ||
| 1382 | D | 46 | Very low | 53.2 | Low | 74 Ų | 74 | 72.5 Ų | 72.5 | 40% | 0.396 | 44% | 0.442 | S | S | . | . | trans | -108.6 | 87.7 | -168.7 | -169 | 34.7 | 0 | 0 | 0 | 112.3 | S1380 V1384 S1385 V1386 | S1380-D1382 PolarHBondContact O-N 3.38Å; D1382-V1384 PolarHBondContact O-N 2.91Å; D1382-V1384 VanDerWaalsContact O-N 3.11Å; D1382-S1385 PolarHBondContact O-N 3.19Å; D1382-S1385 VanDerWaalsContact O-N 3.17Å; D1382-S1385 VanDerWaalsContact OD2-CB 3.24Å; D1382-S1385 WeakPolarHBondContact OD2-CB 3.43Å; D1382-S1385 PolarHBondContact OD2-OG 3.45Å; D1382-V1386 PolarHBondContact O-N 2.93Å | ||
| 1383 | P | 39.8 | Very low | 51.4 | Low | 96 Ų | 96 | 76 Ų | 76 | 62% | 0.623 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65 | -21 | -168.1 | 26.2 | -36.1 | 0 | 0 | 0 | 113.9 | A1381 A1387 | A1381-P1383 WeakPolarHBondContact O-CD 3.39Å; P1383-A1387 WeakPolarHBondContact O-CB 3.17Å; P1383-A1387 PolarHBondContact O-N 3.38Å |
| 1384 | V | 37.4 | Very low | 49.9 | Very low | 119 Ų | 119 | 71.3 Ų | 71.3 | 72% | 0.721 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -78.2 | -34.8 | 179.6 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | D1382 | D1382-V1384 PolarHBondContact O-N 2.91Å; D1382-V1384 VanDerWaalsContact O-N 3.11Å |
| 1385 | S | 39.7 | Very low | 48.4 | Very low | 79 Ų | 79 | 77.2 Ų | 77.2 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -74.5 | -37.8 | 175.1 | -67 | 0 | 0 | 0 | 0 | 112.2 | D1382 A1387 A1388 | D1382-S1385 PolarHBondContact O-N 3.19Å; D1382-S1385 VanDerWaalsContact O-N 3.17Å; D1382-S1385 VanDerWaalsContact OD2-CB 3.24Å; D1382-S1385 WeakPolarHBondContact OD2-CB 3.43Å; D1382-S1385 PolarHBondContact OD2-OG 3.45Å; S1385-A1387 PolarHBondContact O-N 3.02Å; S1385-A1388 PolarHBondContact O-N 2.97Å |
| 1386 | V | 39.3 | Very low | 46.6 | Very low | 54 Ų | 54 | 83.1 Ų | 83.1 | 33% | 0.327 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | D1382 A1388 G1389 L1390 | D1382-V1386 PolarHBondContact O-N 2.93Å; V1386-A1388 PolarHBondContact O-N 3.31Å; V1386-A1388 VanDerWaalsContact O-N 3.08Å; V1386-G1389 PolarHBondContact O-N 3.09Å; V1386-L1390 HydrophobicContact CG1-CB 3.96Å; V1386-L1390 HydrophobicContact CG1-CD1 4.11Å; V1386-L1390 PolarHBondContact O-N 3.07Å; V1386-L1390 VanDerWaalsContact O-N 3.15Å |
| 1387 | A | 33.7 | Very low | 45.6 | Very low | 78 Ų | 78 | 80.9 Ų | 80.9 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1383 S1385 | P1383-A1387 WeakPolarHBondContact O-CB 3.17Å; P1383-A1387 PolarHBondContact O-N 3.38Å; S1385-A1387 PolarHBondContact O-N 3.02Å |
| 1388 | A | 34.1 | Very low | 45.2 | Very low | 92 Ų | 92 | 79.4 Ų | 79.4 | 76% | 0.76 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -8.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1385 V1386 | S1385-A1388 PolarHBondContact O-N 2.97Å; V1386-A1388 PolarHBondContact O-N 3.31Å; V1386-A1388 VanDerWaalsContact O-N 3.08Å |
| 1389 | G | 32 | Very low | 45 | Very low | 66 Ų | 66 | 79.8 Ų | 79.8 | 68% | 0.68 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.1 | -16.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | V1386 F1391 | V1386-G1389 PolarHBondContact O-N 3.09Å; G1389-F1391 PolarHBondContact O-N 3.48Å |
| 1390 | L | 32.3 | Very low | 45.1 | Very low | 55 Ų | 55 | 81.5 Ų | 81.5 | 29% | 0.288 | 52% | 0.518 | S | S | . | . | trans | -107.3 | 65.9 | -168.1 | -68.1 | 160.7 | 0 | 0 | 0 | 112.6 | V1386 S1392 I1393 | V1386-L1390 HydrophobicContact CG1-CB 3.96Å; V1386-L1390 HydrophobicContact CG1-CD1 4.11Å; V1386-L1390 PolarHBondContact O-N 3.07Å; V1386-L1390 VanDerWaalsContact O-N 3.15Å; L1390-S1392 PolarHBondContact O-N 3.39Å; L1390-I1393 HydrophobicContact CB-CD1 4.45Å; L1390-I1393 HydrophobicContact CB-CG1 4.21Å; L1390-I1393 HydrophobicContact CD1-CD1 4.29Å; L1390-I1393 HydrophobicContact CD2-CG1 4.17Å | ||
| 1391 | F | 28 | Very low | 45.5 | Very low | 197 Ų | 197 | 79.1 Ų | 79.1 | 86% | 0.864 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 119.1 | 154.7 | -92 | -90.4 | 0 | 0 | 0 | 108.5 | G1389 | G1389-F1391 PolarHBondContact O-N 3.48Š|
| 1392 | S | 34.9 | Very low | 46.9 | Very low | 58 Ų | 58 | 78.2 Ų | 78.2 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 62.7 | 173 | -52.1 | 0 | 0 | 0 | 0 | 117.8 | L1390 H1394 H1395 | L1390-S1392 PolarHBondContact O-N 3.39Å; S1392-H1394 PolarHBondContact O-N 2.92Å; S1392-H1395 WeakPolarHBondContact CB-CD2 3.31Å; S1392-H1395 WeakPolarHBondContact CB-NE2 3.45Å; S1392-H1395 PolarHBondContact O-N 3.41Å; S1392-H1395 PolarHBondContact OG-CE1 2.88Å; S1392-H1395 PolarHBondContact OG-NE2 2.81Å |
| 1393 | I | 41.2 | Very low | 48.5 | Very low | 79 Ų | 79 | 74.8 Ų | 74.8 | 41% | 0.405 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 134.7 | 149.5 | -54 | 177.7 | 0 | 0 | 0 | 107.6 | L1390 | L1390-I1393 HydrophobicContact CB-CD1 4.45Å; L1390-I1393 HydrophobicContact CB-CG1 4.21Å; L1390-I1393 HydrophobicContact CD1-CD1 4.29Å; L1390-I1393 HydrophobicContact CD2-CG1 4.17Å |
| 1394 | H | 47.4 | Very low | 50.6 | Low | 41 Ų | 41 | 70.6 Ų | 70.6 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 22.7 | -175.9 | -58 | -55.1 | 0 | 0 | 0 | 119.1 | S1392 T1396 D1401 N1444 K1446 | S1392-H1394 PolarHBondContact O-N 2.92Å; H1394-T1396 PolarHBondContact O-N 2.91Å; H1394-D1401 IonicContact ND1-OD1 3.11Å; H1394-N1444 PolarHBondContact CD2-O 3.28Å; H1394-K1446 HydrophobicContact CB-CD 4.47Å; H1394-K1446 HydrophobicContact CB-CG 4.17Å |
| 1395 | H | 47.9 | Very low | 52.6 | Low | 124 Ų | 124 | 68.1 Ų | 68.1 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | trans | -61.7 | 130.6 | 149.4 | -79.9 | -26.3 | 0 | 0 | 0 | 110.2 | S1392 G1397 S1398 | S1392-H1395 WeakPolarHBondContact CB-CD2 3.31Å; S1392-H1395 WeakPolarHBondContact CB-NE2 3.45Å; S1392-H1395 PolarHBondContact O-N 3.41Å; S1392-H1395 PolarHBondContact OG-CE1 2.88Å; S1392-H1395 PolarHBondContact OG-NE2 2.81Å; H1395-G1397 PolarHBondContact O-N 2.92Å; H1395-S1398 PolarHBondContact O-N 3.35Å | ||
| 1396 | T | 44.1 | Very low | 54.6 | Low | 125 Ų | 125 | 65.3 Ų | 65.3 | 77% | 0.767 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 120.7 | -179.2 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | H1394 | H1394-T1396 PolarHBondContact O-N 2.91Š|
| 1397 | G | 54.2 | Low | 56.7 | Low | 57 Ų | 57 | 62.9 Ų | 62.9 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 27.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1395 D1401 | H1395-G1397 PolarHBondContact O-N 2.92Å; G1397-D1401 PolarHBondContact N-OD2 3.03Å |
| 1398 | S | 65.7 | Low | 59.2 | Low | 33 Ų | 33 | 59.3 Ų | 59.3 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | trans | -74.6 | 153 | 161.3 | 89.4 | 0 | 0 | 0 | 0 | 110.5 | H1395 E1400 D1401 E1402 | H1395-S1398 PolarHBondContact O-N 3.35Å; S1398-E1400 PolarHBondContact O-N 2.94Å; S1398-E1400 PolarHBondContact OG-N 3.32Å; S1398-D1401 WeakPolarHBondContact O-CB 3.22Å; S1398-D1401 PolarHBondContact O-N 2.96Å; S1398-D1401 WeakPolarHBondContact OG-CB 3.43Å; S1398-D1401 PolarHBondContact OG-N 3.45Å; S1398-D1401 VanDerWaalsContact OG-N 3.13Å; S1398-E1402 PolarHBondContact O-N 3.46Å | ||
| 1399 | F | 68 | Low | 61.6 | Low | 51 Ų | 51 | 57.9 Ų | 57.9 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.6 | -33.1 | 177.4 | 177.9 | -112.9 | 0 | 0 | 0 | 112.6 | A1227 T1292 L1295 L1296 I1403 | A1227-F1399 HydrophobicContact CB-CE1 4.15Å; A1227-F1399 HydrophobicContact CB-CZ 4.37Å; T1292-F1399 HydrophobicContact CG2-CE2 4.29Å; T1292-F1399 HydrophobicContact CG2-CZ 4.23Å; L1295-F1399 HydrophobicContact CD2-CZ 4.49Å; L1296-F1399 HydrophobicContact CB-CE2 4.39Å; L1296-F1399 HydrophobicContact CD1-CD2 4.49Å; L1296-F1399 HydrophobicContact CD1-CE2 4.44Å; F1399-I1403 HydrophobicContact CD1-CD1 3.77Å; F1399-I1403 HydrophobicContact CD2-CD1 4.27Å; F1399-I1403 HydrophobicContact CE1-CD1 3.48Å; F1399-I1403 VanDerWaalsContact CE1-CD1 3.48Å; F1399-I1403 HydrophobicContact CE2-CD1 4.01Å; F1399-I1403 HydrophobicContact CG-CD1 4.17Å; F1399-I1403 HydrophobicContact CZ-CD1 3.62Å; F1399-I1403 WeakPolarHBondContact O-CD1 3.36Å; F1399-I1403 VanDerWaalsContact O-CG1 3.23Å; F1399-I1403 WeakPolarHBondContact O-CG1 3.3Å; F1399-I1403 PolarHBondContact O-N 2.66Å; F1399-I1403 VanDerWaalsContact O-N 3.08Å |
| 1400 | E | 71 | Confident | 63.9 | Low | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -74.5 | -37.8 | 176.2 | -66.1 | 173.1 | -168.3 | 0 | 0 | 112.6 | S1398 E1402 I1403 L1404 | S1398-E1400 PolarHBondContact O-N 2.94Å; S1398-E1400 PolarHBondContact OG-N 3.32Å; E1400-E1402 VanDerWaalsContact C-N 3.32Å; E1400-I1403 PolarHBondContact O-N 3.25Å; E1400-L1404 VanDerWaalsContact O-CB 3.26Å; E1400-L1404 WeakPolarHBondContact O-CB 3.34Å; E1400-L1404 PolarHBondContact O-N 2.94Å |
| 1401 | D | 71.6 | Confident | 66.4 | Low | 26 Ų | 26 | 52.8 Ų | 52.8 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 175.7 | -165.3 | 58.4 | 0 | 0 | 0 | 110.6 | H1394 G1397 S1398 S1405 K1446 | H1394-D1401 IonicContact ND1-OD1 3.11Å; G1397-D1401 PolarHBondContact N-OD2 3.03Å; S1398-D1401 WeakPolarHBondContact O-CB 3.22Å; S1398-D1401 PolarHBondContact O-N 2.96Å; S1398-D1401 WeakPolarHBondContact OG-CB 3.43Å; S1398-D1401 PolarHBondContact OG-N 3.45Å; S1398-D1401 VanDerWaalsContact OG-N 3.13Å; D1401-S1405 WeakPolarHBondContact O-CB 3.24Å; D1401-S1405 PolarHBondContact O-N 3.35Å; D1401-K1446 IonicContact OD1-NZ 2.7Å; D1401-K1446 PolarHBondContact OD1-NZ 3.31Å; D1401-K1446 IonicContact OD2-NZ 2.69Å; D1401-K1446 PolarHBondContact OD2-NZ 2.84Å |
| 1402 | E | 76.3 | Confident | 69 | Low | 84 Ų | 84 | 45.3 Ų | 45.3 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 172.6 | -65.7 | -179.5 | 120.9 | 0 | 0 | 112.5 | L1296 S1398 E1400 S1405 I1406 | L1296-E1402 HydrophobicContact CD1-CB 4.07Å; L1296-E1402 HydrophobicContact CD2-CB 4.29Å; L1296-E1402 WeakPolarHBondContact CD2-OE2 3.32Å; S1398-E1402 PolarHBondContact O-N 3.46Å; E1400-E1402 VanDerWaalsContact C-N 3.32Å; E1402-S1405 PolarHBondContact O-N 2.93Å; E1402-I1406 WeakPolarHBondContact O-CD1 3.36Å; E1402-I1406 VanDerWaalsContact O-CG1 3.31Å; E1402-I1406 WeakPolarHBondContact O-CG1 3.3Å; E1402-I1406 PolarHBondContact O-N 3.04Å; E1402-I1406 VanDerWaalsContact O-N 3.08Å |
| 1403 | I | 80.3 | Confident | 71.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.9 | -43.4 | 176.3 | -70.9 | 164.8 | 0 | 0 | 0 | 111.1 | I1224 V1228 L1296 F1299 L1374 W1378 F1399 E1400 S1405 I1406 V1407 | I1224-I1403 HydrophobicContact CG2-CD1 3.95Å; I1224-I1403 HydrophobicContact CG2-CG2 4.39Å; V1228-I1403 HydrophobicContact CG2-CD1 4.25Å; L1296-I1403 HydrophobicContact CD1-CG1 4.26Å; F1299-I1403 HydrophobicContact CD1-CG1 4.34Å; F1299-I1403 HydrophobicContact CE1-CB 4.37Å; F1299-I1403 HydrophobicContact CE1-CG1 4.28Å; F1299-I1403 HydrophobicContact CE1-CG2 3.94Å; L1374-I1403 HydrophobicContact CD1-CG2 4.36Å; W1378-I1403 HydrophobicContact CH2-CG2 3.99Å; W1378-I1403 HydrophobicContact CZ2-CG2 4.1Å; F1399-I1403 HydrophobicContact CD1-CD1 3.77Å; F1399-I1403 HydrophobicContact CD2-CD1 4.27Å; F1399-I1403 HydrophobicContact CE1-CD1 3.48Å; F1399-I1403 VanDerWaalsContact CE1-CD1 3.48Å; F1399-I1403 HydrophobicContact CE2-CD1 4.01Å; F1399-I1403 HydrophobicContact CG-CD1 4.17Å; F1399-I1403 HydrophobicContact CZ-CD1 3.62Å; F1399-I1403 WeakPolarHBondContact O-CD1 3.36Å; F1399-I1403 VanDerWaalsContact O-CG1 3.23Å; F1399-I1403 WeakPolarHBondContact O-CG1 3.3Å; F1399-I1403 PolarHBondContact O-N 2.66Å; F1399-I1403 VanDerWaalsContact O-N 3.08Å; E1400-I1403 PolarHBondContact O-N 3.25Å; I1403-S1405 PolarHBondContact O-N 2.94Å; I1403-I1406 PolarHBondContact O-N 3.45Å; I1403-V1407 HydrophobicContact CG2-CG2 4.32Å; I1403-V1407 WeakPolarHBondContact O-CG2 3.28Å; I1403-V1407 PolarHBondContact O-N 2.98Å |
| 1404 | L | 83 | Confident | 73 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -46 | 176.1 | 175.1 | 62.5 | 0 | 0 | 0 | 111.1 | W1378 E1400 I1406 V1407 L1408 L1439 V1449 | W1378-L1404 HydrophobicContact CD2-CD1 4.1Å; W1378-L1404 HydrophobicContact CE3-CD1 3.57Å; W1378-L1404 VanDerWaalsContact CH2-CA 3.47Å; W1378-L1404 HydrophobicContact CH2-CB 3.82Å; W1378-L1404 HydrophobicContact CH2-CD1 3.98Å; W1378-L1404 HydrophobicContact CZ2-CB 3.87Å; W1378-L1404 HydrophobicContact CZ2-CD1 4.47Å; W1378-L1404 HydrophobicContact CZ3-CB 4.25Å; W1378-L1404 HydrophobicContact CZ3-CD1 3.49Å; W1378-L1404 VanDerWaalsContact CZ3-CD1 3.49Å; W1378-L1404 HydrophobicContact CZ3-CG 4.48Å; E1400-L1404 VanDerWaalsContact O-CB 3.26Å; E1400-L1404 WeakPolarHBondContact O-CB 3.34Å; E1400-L1404 PolarHBondContact O-N 2.94Å; L1404-I1406 PolarHBondContact O-N 3.34Å; L1404-V1407 PolarHBondContact O-N 3.34Å; L1404-L1408 HydrophobicContact CD1-CD1 3.81Å; L1404-L1408 HydrophobicContact CD1-CG 3.98Å; L1404-L1408 HydrophobicContact CG-CD1 3.93Å; L1404-L1408 HydrophobicContact CG-CG 4.46Å; L1404-L1408 WeakPolarHBondContact O-CB 3.28Å; L1404-L1408 WeakPolarHBondContact O-CG 3.29Å; L1404-L1408 PolarHBondContact O-N 3.41Å; L1404-L1439 HydrophobicContact CD1-CD1 4.32Å; L1404-V1449 HydrophobicContact CD2-CG1 4.48Å; L1404-V1449 HydrophobicContact CD2-CG2 4.37Å |
| 1405 | S | 80.8 | Confident | 74.6 | Confident | 68 Ų | 68 | 38.8 Ų | 38.8 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.5 | -44.2 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | D1401 E1402 I1403 T1409 | D1401-S1405 WeakPolarHBondContact O-CB 3.24Å; D1401-S1405 PolarHBondContact O-N 3.35Å; E1402-S1405 PolarHBondContact O-N 2.93Å; I1403-S1405 PolarHBondContact O-N 2.94Å; S1405-T1409 WeakPolarHBondContact O-CB 3.48Å; S1405-T1409 PolarHBondContact O-N 3.13Å; S1405-T1409 PolarHBondContact O-OG1 2.98Å |
| 1406 | I | 81.5 | Confident | 76.1 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66 | -42 | 176.7 | -67.8 | 163.1 | 0 | 0 | 0 | 111.6 | L1296 F1299 P1303 E1402 I1403 L1404 T1409 I1410 | L1296-I1406 HydrophobicContact CD1-CD1 4.04Å; F1299-I1406 HydrophobicContact CD1-CB 4.07Å; F1299-I1406 HydrophobicContact CD1-CD1 3.69Å; F1299-I1406 HydrophobicContact CD1-CG1 4.48Å; F1299-I1406 HydrophobicContact CD1-CG2 3.66Å; F1299-I1406 HydrophobicContact CE1-CB 3.74Å; F1299-I1406 HydrophobicContact CE1-CD1 4.22Å; F1299-I1406 HydrophobicContact CE1-CG2 3.38Å; F1299-I1406 HydrophobicContact CG-CG2 4.35Å; F1299-I1406 HydrophobicContact CZ-CG2 3.88Å; P1303-I1406 HydrophobicContact CG-CG2 3.84Å; E1402-I1406 WeakPolarHBondContact O-CD1 3.36Å; E1402-I1406 VanDerWaalsContact O-CG1 3.31Å; E1402-I1406 WeakPolarHBondContact O-CG1 3.3Å; E1402-I1406 PolarHBondContact O-N 3.04Å; E1402-I1406 VanDerWaalsContact O-N 3.08Å; I1403-I1406 PolarHBondContact O-N 3.45Å; L1404-I1406 PolarHBondContact O-N 3.34Å; I1406-T1409 PolarHBondContact O-N 2.94Å; I1406-I1410 HydrophobicContact CG2-CD1 4.1Å; I1406-I1410 WeakPolarHBondContact O-CG1 3.43Å; I1406-I1410 PolarHBondContact O-N 2.88Å |
| 1407 | V | 83.8 | Confident | 77.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -45.9 | 178.1 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | F1299 F1370 A1371 L1374 W1378 I1403 L1404 T1409 I1410 I1411 | F1299-V1407 HydrophobicContact CE1-CG2 4.46Å; F1299-V1407 HydrophobicContact CZ-CG2 4.08Å; F1370-V1407 HydrophobicContact CE1-CG2 4.42Å; A1371-V1407 HydrophobicContact CB-CG1 4.21Å; L1374-V1407 HydrophobicContact CD1-CG2 3.83Å; W1378-V1407 HydrophobicContact CH2-CB 4.45Å; W1378-V1407 HydrophobicContact CH2-CG2 4.31Å; W1378-V1407 HydrophobicContact CZ3-CB 4.4Å; W1378-V1407 HydrophobicContact CZ3-CG1 4.34Å; I1403-V1407 HydrophobicContact CG2-CG2 4.32Å; I1403-V1407 WeakPolarHBondContact O-CG2 3.28Å; I1403-V1407 PolarHBondContact O-N 2.98Å; L1404-V1407 PolarHBondContact O-N 3.34Å; V1407-T1409 VanDerWaalsContact C-N 3.32Å; V1407-T1409 PolarHBondContact O-N 3.05Å; V1407-I1410 WeakPolarHBondContact O-CB 3.32Å; V1407-I1410 PolarHBondContact O-N 3.08Å; V1407-I1410 VanDerWaalsContact O-N 3.15Å; V1407-I1411 HydrophobicContact CG1-CD1 3.87Å; V1407-I1411 WeakPolarHBondContact O-CG1 3.36Å; V1407-I1411 PolarHBondContact O-N 3.03Å |
| 1408 | L | 85.2 | Confident | 78.5 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 175.5 | -70.2 | 172.5 | 0 | 0 | 0 | 111.7 | L1404 I1410 I1411 E1412 L1436 V1449 I1452 I1456 | L1404-L1408 HydrophobicContact CD1-CD1 3.81Å; L1404-L1408 HydrophobicContact CD1-CG 3.98Å; L1404-L1408 HydrophobicContact CG-CD1 3.93Å; L1404-L1408 HydrophobicContact CG-CG 4.46Å; L1404-L1408 WeakPolarHBondContact O-CB 3.28Å; L1404-L1408 WeakPolarHBondContact O-CG 3.29Å; L1404-L1408 PolarHBondContact O-N 3.41Å; L1408-I1410 VanDerWaalsContact C-N 3.32Å; L1408-I1410 PolarHBondContact O-N 2.94Å; L1408-I1411 PolarHBondContact O-N 3.36Å; L1408-E1412 WeakPolarHBondContact O-CB 3.43Å; L1408-E1412 PolarHBondContact O-N 3.13Å; L1408-L1436 HydrophobicContact CD2-CD2 4.09Å; L1408-V1449 HydrophobicContact CD1-CG1 3.95Å; L1408-V1449 HydrophobicContact CD1-CG2 4.39Å; L1408-I1452 HydrophobicContact CB-CG2 4.1Å; L1408-I1456 HydrophobicContact CD2-CD1 4.42Å |
| 1409 | T | 83.6 | Confident | 78.7 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 173.1 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | P1303 S1405 I1406 V1407 D1413 | P1303-T1409 HydrophobicContact CB-CG2 4.19Å; P1303-T1409 HydrophobicContact CG-CG2 4.45Å; S1405-T1409 WeakPolarHBondContact O-CB 3.48Å; S1405-T1409 PolarHBondContact O-N 3.13Å; S1405-T1409 PolarHBondContact O-OG1 2.98Å; I1406-T1409 PolarHBondContact O-N 2.94Å; V1407-T1409 VanDerWaalsContact C-N 3.32Å; V1407-T1409 PolarHBondContact O-N 3.05Å; T1409-D1413 WeakPolarHBondContact O-CB 3.32Å; T1409-D1413 PolarHBondContact O-N 2.85Å |
| 1410 | I | 81.8 | Confident | 78.9 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 175.4 | -68.8 | 164.2 | 0 | 0 | 0 | 110.7 | L1302 P1303 F1317 V1367 I1406 V1407 L1408 D1413 I1414 | L1302-I1410 HydrophobicContact CB-CD1 4.29Å; P1303-I1410 HydrophobicContact CG-CD1 4.41Å; P1303-I1410 HydrophobicContact CG-CG1 4.04Å; F1317-I1410 HydrophobicContact CE1-CG2 4.48Å; F1317-I1410 HydrophobicContact CZ-CG2 4.08Å; V1367-I1410 HydrophobicContact CG1-CG2 4.34Å; I1406-I1410 HydrophobicContact CG2-CD1 4.1Å; I1406-I1410 WeakPolarHBondContact O-CG1 3.43Å; I1406-I1410 PolarHBondContact O-N 2.88Å; V1407-I1410 WeakPolarHBondContact O-CB 3.32Å; V1407-I1410 PolarHBondContact O-N 3.08Å; V1407-I1410 VanDerWaalsContact O-N 3.15Å; L1408-I1410 VanDerWaalsContact C-N 3.32Å; L1408-I1410 PolarHBondContact O-N 2.94Å; I1410-D1413 PolarHBondContact O-N 3.41Å; I1410-I1414 HydrophobicContact CG2-CD1 4.01Å; I1410-I1414 WeakPolarHBondContact O-CD1 3.34Å; I1410-I1414 VanDerWaalsContact O-CG1 3.24Å; I1410-I1414 WeakPolarHBondContact O-CG1 3.34Å; I1410-I1414 PolarHBondContact O-N 2.82Å |
| 1411 | I | 83.8 | Confident | 79 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -35 | 178.2 | -59.2 | 165 | 0 | 0 | 0 | 111.1 | A1371 L1375 V1407 L1408 I1414 S1415 I1432 L1436 I1456 | A1371-I1411 HydrophobicContact CB-CD1 4.44Å; L1375-I1411 HydrophobicContact CD1-CD1 3.94Å; V1407-I1411 HydrophobicContact CG1-CD1 3.87Å; V1407-I1411 WeakPolarHBondContact O-CG1 3.36Å; V1407-I1411 PolarHBondContact O-N 3.03Å; L1408-I1411 PolarHBondContact O-N 3.36Å; I1411-I1414 PolarHBondContact O-N 3.3Å; I1411-S1415 WeakPolarHBondContact O-CB 3.39Å; I1411-S1415 PolarHBondContact O-N 2.72Å; I1411-I1432 HydrophobicContact CD1-CG2 4.29Å; I1411-I1432 HydrophobicContact CG2-CG2 3.99Å; I1411-L1436 HydrophobicContact CG2-CD1 4.28Å; I1411-I1456 HydrophobicContact CB-CD1 4.22Å; I1411-I1456 HydrophobicContact CG2-CD1 3.99Å; I1411-I1456 HydrophobicContact CG2-CG2 3.76Å |
| 1412 | E | 83.5 | Confident | 79.2 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 173.6 | -157.2 | -163.3 | 162.7 | 0 | 0 | 111.4 | L1408 I1414 S1415 Q1416 K1455 I1456 | L1408-E1412 WeakPolarHBondContact O-CB 3.43Å; L1408-E1412 PolarHBondContact O-N 3.13Å; E1412-I1414 VanDerWaalsContact C-N 3.26Å; E1412-I1414 PolarHBondContact O-N 3.36Å; E1412-S1415 PolarHBondContact O-N 3.48Å; E1412-S1415 VanDerWaalsContact O-N 3.11Å; E1412-S1415 PolarHBondContact O-OG 2.91Å; E1412-Q1416 WeakPolarHBondContact O-CG 3.14Å; E1412-Q1416 PolarHBondContact O-N 3.04Å; E1412-Q1416 PolarHBondContact OE1-NE2 3.01Å; E1412-Q1416 VanDerWaalsContact OE1-NE2 3.16Å; E1412-K1455 WeakPolarHBondContact OE1-CE 3.35Å; E1412-K1455 IonicContact OE1-NZ 3.85Å; E1412-K1455 PolarHBondContact OE1-NZ 2.92Å; E1412-I1456 HydrophobicContact CB-CD1 4.39Å; E1412-I1456 HydrophobicContact CB-CG1 4.32Å; E1412-I1456 HydrophobicContact CG-CG1 4.35Å |
| 1413 | D | 80.5 | Confident | 79 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 17% | 0.171 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -30.4 | 174.3 | 179.5 | 46.1 | 0 | 0 | 0 | 112.5 | S1306 R1313 T1409 I1410 | S1306-D1413 WeakPolarHBondContact CB-OD2 3.46Å; S1306-D1413 PolarHBondContact OG-OD2 3Å; R1313-D1413 IonicContact CZ-OD1 3.96Å; R1313-D1413 IonicContact CZ-OD2 2.7Å; R1313-D1413 PolarHBondContact NH1-O 2.87Å; R1313-D1413 IonicContact NH1-OD1 3.19Å; R1313-D1413 PolarHBondContact NH1-OD1 3.49Å; R1313-D1413 IonicContact NH1-OD2 2.76Å; R1313-D1413 PolarHBondContact NH1-OD2 2.91Å; R1313-D1413 IonicContact NH2-OD1 3.86Å; R1313-D1413 PolarHBondContact NH2-OD1 3.39Å; R1313-D1413 IonicContact NH2-OD2 2.67Å; T1409-D1413 WeakPolarHBondContact O-CB 3.32Å; T1409-D1413 PolarHBondContact O-N 2.85Å; I1410-D1413 PolarHBondContact O-N 3.41Å |
| 1414 | I | 79.7 | Confident | 78.6 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.9 | -47.6 | 170.3 | -66.5 | 161.1 | 0 | 0 | 0 | 110.9 | F1317 L1368 I1410 I1411 E1412 Q1416 Q1417 L1420 V1421 L1428 | F1317-I1414 HydrophobicContact CD1-CD1 4.12Å; F1317-I1414 HydrophobicContact CE1-CD1 3.37Å; F1317-I1414 HydrophobicContact CE1-CG1 3.99Å; F1317-I1414 HydrophobicContact CE2-CD1 4.31Å; F1317-I1414 HydrophobicContact CE2-CG1 4.01Å; F1317-I1414 HydrophobicContact CZ-CD1 3.51Å; F1317-I1414 HydrophobicContact CZ-CG1 3.67Å; L1368-I1414 HydrophobicContact CD2-CD1 4.08Å; I1410-I1414 HydrophobicContact CG2-CD1 4.01Å; I1410-I1414 WeakPolarHBondContact O-CD1 3.34Å; I1410-I1414 VanDerWaalsContact O-CG1 3.24Å; I1410-I1414 WeakPolarHBondContact O-CG1 3.34Å; I1410-I1414 PolarHBondContact O-N 2.82Å; I1411-I1414 PolarHBondContact O-N 3.3Å; E1412-I1414 VanDerWaalsContact C-N 3.26Å; E1412-I1414 PolarHBondContact O-N 3.36Å; I1414-Q1416 PolarHBondContact O-N 3.29Å; I1414-Q1416 VanDerWaalsContact O-N 3.17Å; I1414-Q1417 WeakPolarHBondContact O-CB 3.19Å; I1414-Q1417 PolarHBondContact O-N 2.92Å; I1414-L1420 HydrophobicContact CG1-CD2 4.44Å; I1414-L1420 HydrophobicContact CG2-CD2 4.19Å; I1414-V1421 VanDerWaalsContact O-CG2 3.24Å; I1414-V1421 WeakPolarHBondContact O-CG2 3.45Å; I1414-L1428 HydrophobicContact CG2-CD1 4.44Å; I1414-L1428 HydrophobicContact CG2-CD2 4.1Å |
| 1415 | S | 79.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -28.6 | -175.3 | 74.7 | 0 | 0 | 0 | 0 | 113.5 | I1411 E1412 Q1417 N1459 | I1411-S1415 WeakPolarHBondContact O-CB 3.39Å; I1411-S1415 PolarHBondContact O-N 2.72Å; E1412-S1415 PolarHBondContact O-N 3.48Å; E1412-S1415 VanDerWaalsContact O-N 3.11Å; E1412-S1415 PolarHBondContact O-OG 2.91Å; S1415-Q1417 VanDerWaalsContact C-N 3.28Å; S1415-Q1417 PolarHBondContact O-N 3.5Å; S1415-N1459 PolarHBondContact OG-ND2 3.33Å |
| 1416 | Q | 80.1 | Confident | 78 | Confident | 116 Ų | 116 | 51.2 Ų | 51.2 | 54% | 0.542 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.9 | 176.8 | -65.3 | 172.6 | 26.8 | 0 | 0 | 113.2 | E1412 I1414 | E1412-Q1416 WeakPolarHBondContact O-CG 3.14Å; E1412-Q1416 PolarHBondContact O-N 3.04Å; E1412-Q1416 PolarHBondContact OE1-NE2 3.01Å; E1412-Q1416 VanDerWaalsContact OE1-NE2 3.16Å; I1414-Q1416 PolarHBondContact O-N 3.29Å; I1414-Q1416 VanDerWaalsContact O-N 3.17Å |
| 1417 | Q | 74.7 | Confident | 77.6 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | trans | -101 | 83.6 | 179.3 | -68.7 | -153.5 | -45.7 | 0 | 0 | 112.6 | R1313 I1414 S1415 N1419 L1420 V1421 | R1313-Q1417 VanDerWaalsContact CZ-NE2 3.29Å; R1313-Q1417 VanDerWaalsContact NH1-NE2 3.18Å; I1414-Q1417 WeakPolarHBondContact O-CB 3.19Å; I1414-Q1417 PolarHBondContact O-N 2.92Å; S1415-Q1417 VanDerWaalsContact C-N 3.28Å; S1415-Q1417 PolarHBondContact O-N 3.5Å; Q1417-N1419 VanDerWaalsContact C-N 3.31Å; Q1417-N1419 PolarHBondContact O-N 3.32Å; Q1417-L1420 HydrophobicContact CB-CB 3.87Å; Q1417-L1420 WeakPolarHBondContact O-CA 3.36Å; Q1417-L1420 PolarHBondContact O-N 3.03Å; Q1417-V1421 WeakPolarHBondContact O-CG2 3.24Å; Q1417-V1421 PolarHBondContact O-N 2.89Å | ||
| 1418 | T | 73.3 | Confident | 77.4 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -39.1 | -55.7 | 174.8 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | L1420 V1421 E1422 V1463 | T1418-L1420 PolarHBondContact O-N 3.31Å; T1418-L1420 VanDerWaalsContact O-N 3.14Å; T1418-V1421 PolarHBondContact O-N 3.42Å; T1418-E1422 VanDerWaalsContact O-CB 3.31Å; T1418-E1422 WeakPolarHBondContact O-CB 3.26Å; T1418-E1422 PolarHBondContact O-N 2.88Å; T1418-V1463 HydrophobicContact CG2-CG2 3.99Å |
| 1419 | N | 71 | Confident | 77.1 | Confident | 113 Ų | 113 | 52.6 Ų | 52.6 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.2 | -23.2 | 179.5 | -76.8 | -87.5 | 0 | 0 | 0 | 115.4 | Q1417 K1423 | Q1417-N1419 VanDerWaalsContact C-N 3.31Å; Q1417-N1419 PolarHBondContact O-N 3.32Å; N1419-K1423 WeakPolarHBondContact O-CD 3.45Å; N1419-K1423 VanDerWaalsContact O-CG 3.29Å; N1419-K1423 WeakPolarHBondContact O-CG 3.43Å |
| 1420 | L | 70.8 | Confident | 76.8 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -94.2 | -42 | 177.2 | -179.2 | 61.8 | 0 | 0 | 0 | 110.5 | F1317 I1414 Q1417 T1418 E1422 K1423 R1424 | F1317-L1420 HydrophobicContact CB-CD1 4.06Å; F1317-L1420 HydrophobicContact CB-CD2 4.33Å; F1317-L1420 HydrophobicContact CD2-CD2 3.79Å; F1317-L1420 HydrophobicContact CE2-CD2 4.42Å; F1317-L1420 HydrophobicContact CG-CD2 4.2Å; I1414-L1420 HydrophobicContact CG1-CD2 4.44Å; I1414-L1420 HydrophobicContact CG2-CD2 4.19Å; Q1417-L1420 HydrophobicContact CB-CB 3.87Å; Q1417-L1420 WeakPolarHBondContact O-CA 3.36Å; Q1417-L1420 PolarHBondContact O-N 3.03Å; T1418-L1420 PolarHBondContact O-N 3.31Å; T1418-L1420 VanDerWaalsContact O-N 3.14Å; L1420-E1422 VanDerWaalsContact C-N 3.34Å; L1420-K1423 PolarHBondContact O-N 3.14Å; L1420-R1424 HydrophobicContact CD1-CG 4.33Å; L1420-R1424 PolarHBondContact O-N 3.22Å |
| 1421 | V | 74.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 176.5 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | I1414 Q1417 T1418 R1424 K1425 L1428 L1460 V1463 F1464 | I1414-V1421 VanDerWaalsContact O-CG2 3.24Å; I1414-V1421 WeakPolarHBondContact O-CG2 3.45Å; Q1417-V1421 WeakPolarHBondContact O-CG2 3.24Å; Q1417-V1421 PolarHBondContact O-N 2.89Å; T1418-V1421 PolarHBondContact O-N 3.42Å; V1421-R1424 CarbonylContact O-C 3.56Å; V1421-K1425 VanDerWaalsContact O-CA 3.26Å; V1421-K1425 WeakPolarHBondContact O-CA 3.44Å; V1421-K1425 PolarHBondContact O-N 3.05Å; V1421-L1428 HydrophobicContact CB-CD1 4.2Å; V1421-L1428 HydrophobicContact CG1-CD1 4.29Å; V1421-L1428 HydrophobicContact CG2-CD1 4.12Å; V1421-L1460 HydrophobicContact CG1-CD2 3.71Å; V1421-L1460 HydrophobicContact CG2-CD2 4.25Å; V1421-V1463 HydrophobicContact CB-CG1 4.24Å; V1421-V1463 HydrophobicContact CG1-CB 4.03Å; V1421-V1463 HydrophobicContact CG1-CG1 3.67Å; V1421-F1464 HydrophobicContact CG1-CD1 4.23Å; V1421-F1464 HydrophobicContact CG1-CE1 3.37Å; V1421-F1464 HydrophobicContact CG1-CE2 4.29Å; V1421-F1464 HydrophobicContact CG1-CZ 3.4Å |
| 1422 | E | 75.1 | Confident | 76.6 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.5 | -48.7 | 174.1 | -173.9 | -179.5 | -155.2 | 0 | 0 | 111.9 | T1418 L1420 R1424 K1425 | T1418-E1422 VanDerWaalsContact O-CB 3.31Å; T1418-E1422 WeakPolarHBondContact O-CB 3.26Å; T1418-E1422 PolarHBondContact O-N 2.88Å; L1420-E1422 VanDerWaalsContact C-N 3.34Å; E1422-R1424 VanDerWaalsContact C-N 3.32Å; E1422-R1424 PolarHBondContact O-N 3.41Å; E1422-K1425 WeakPolarHBondContact O-CB 3.46Å; E1422-K1425 PolarHBondContact O-N 2.72Å |
| 1423 | K | 72.1 | Confident | 76.7 | Confident | 147 Ų | 147 | 53.8 Ų | 53.8 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.5 | -24 | -177.2 | -76.1 | -177 | -178.5 | -179.3 | 0 | 115 | N1419 L1420 | N1419-K1423 WeakPolarHBondContact O-CD 3.45Å; N1419-K1423 VanDerWaalsContact O-CG 3.29Å; N1419-K1423 WeakPolarHBondContact O-CG 3.43Å; L1420-K1423 PolarHBondContact O-N 3.14Å |
| 1424 | R | 71.5 | Confident | 76.8 | Confident | 46 Ų | 46 | 54.3 Ų | 54.3 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 26.1 | 175.9 | -57.7 | -62.8 | -63.7 | -131.8 | 18.7 | 111.8 | F1317 L1368 L1420 V1421 E1422 Q1426 D1427 L1428 | F1317-R1424 PolarHBondContact O-NH1 2.86Å; L1368-R1424 HydrophobicContact CD1-CB 4.33Å; L1368-R1424 HydrophobicContact CD1-CG 4.48Å; L1420-R1424 HydrophobicContact CD1-CG 4.33Å; L1420-R1424 PolarHBondContact O-N 3.22Å; V1421-R1424 CarbonylContact O-C 3.56Å; E1422-R1424 VanDerWaalsContact C-N 3.32Å; E1422-R1424 PolarHBondContact O-N 3.41Å; R1424-Q1426 VanDerWaalsContact C-N 3.3Å; R1424-Q1426 PolarHBondContact O-N 3.05Å; R1424-D1427 IonicContact CZ-OD2 2.75Å; R1424-D1427 IonicContact NE-OD2 3.64Å; R1424-D1427 PolarHBondContact NE-OD2 2.81Å; R1424-D1427 IonicContact NH2-OD1 3.23Å; R1424-D1427 IonicContact NH2-OD2 2.75Å; R1424-D1427 PolarHBondContact NH2-OD2 3.09Å; R1424-D1427 PolarHBondContact O-N 2.9Å; R1424-L1428 HydrophobicContact CB-CD1 4.48Å; R1424-L1428 PolarHBondContact O-N 3.5Å |
| 1425 | K | 75.9 | Confident | 76.8 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -48.6 | -47.5 | -176 | 178.9 | 162.1 | -169.2 | 174.8 | 0 | 112.9 | V1421 E1422 L1428 I1429 F1464 Y1622 | V1421-K1425 VanDerWaalsContact O-CA 3.26Å; V1421-K1425 WeakPolarHBondContact O-CA 3.44Å; V1421-K1425 PolarHBondContact O-N 3.05Å; E1422-K1425 WeakPolarHBondContact O-CB 3.46Å; E1422-K1425 PolarHBondContact O-N 2.72Å; K1425-L1428 PolarHBondContact O-N 3.38Å; K1425-I1429 HydrophobicContact CG-CD1 3.7Å; K1425-I1429 WeakPolarHBondContact O-CB 3.46Å; K1425-I1429 VanDerWaalsContact O-CG1 3.27Å; K1425-I1429 WeakPolarHBondContact O-CG1 3.43Å; K1425-I1429 PolarHBondContact O-N 3.44Å; K1425-F1464 HydrophobicContact CB-CE1 3.76Å; K1425-F1464 HydrophobicContact CB-CZ 3.96Å; K1425-F1464 HydrophobicContact CD-CD1 3.48Å; K1425-F1464 VanDerWaalsContact CD-CD1 3.48Å; K1425-F1464 HydrophobicContact CD-CE1 3.48Å; K1425-F1464 VanDerWaalsContact CD-CE1 3.48Å; K1425-F1464 HydrophobicContact CD-CG 4.13Å; K1425-F1464 HydrophobicContact CD-CZ 4.16Å; K1425-F1464 VanDerWaalsContact CE-CG 3.43Å; K1425-F1464 HydrophobicContact CG-CD1 3.91Å; K1425-F1464 HydrophobicContact CG-CE1 3.41Å; K1425-F1464 VanDerWaalsContact CG-CE1 3.41Å; K1425-F1464 HydrophobicContact CG-CE2 4.22Å; K1425-F1464 HydrophobicContact CG-CG 4.47Å; K1425-F1464 HydrophobicContact CG-CZ 3.6Å; K1425-F1464 PolarHBondContact NZ-O 3.4Å; K1425-Y1622 VanDerWaalsContact CD-OH 3.27Å; K1425-Y1622 WeakPolarHBondContact CD-OH 3.4Å; K1425-Y1622 WeakPolarHBondContact CE-OH 3.39Å |
| 1426 | Q | 74.9 | Confident | 77 | Confident | 134 Ų | 134 | 54 Ų | 54 | 63% | 0.626 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.9 | -47.7 | 177.9 | -172.5 | 174.9 | 4.5 | 0 | 0 | 112.6 | R1424 I1429 C1430 | R1424-Q1426 VanDerWaalsContact C-N 3.3Å; R1424-Q1426 PolarHBondContact O-N 3.05Å; Q1426-I1429 PolarHBondContact O-N 3.34Å; Q1426-C1430 VanDerWaalsContact O-CB 3.29Å; Q1426-C1430 WeakPolarHBondContact O-CB 3.25Å; Q1426-C1430 PolarHBondContact O-N 3.23Å; Q1426-C1430 PolarHBondContact O-SG 2.89Å |
| 1427 | D | 74.8 | Confident | 77.1 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.1 | -37.1 | -179.5 | -62.9 | -61.2 | 0 | 0 | 0 | 112.7 | L1368 R1424 C1430 L1431 | L1368-D1427 HydrophobicContact CD1-CB 4.08Å; R1424-D1427 IonicContact CZ-OD2 2.75Å; R1424-D1427 IonicContact NE-OD2 3.64Å; R1424-D1427 PolarHBondContact NE-OD2 2.81Å; R1424-D1427 IonicContact NH2-OD1 3.23Å; R1424-D1427 IonicContact NH2-OD2 2.75Å; R1424-D1427 PolarHBondContact NH2-OD2 3.09Å; R1424-D1427 PolarHBondContact O-N 2.9Å; D1427-C1430 PolarHBondContact O-N 3.38Å; D1427-L1431 HydrophobicContact CB-CD1 4.17Å; D1427-L1431 WeakPolarHBondContact O-CA 3.35Å; D1427-L1431 WeakPolarHBondContact O-CB 3.33Å; D1427-L1431 WeakPolarHBondContact O-CG 3.36Å; D1427-L1431 PolarHBondContact O-N 3.33Å |
| 1428 | L | 78.9 | Confident | 77.3 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -67.3 | -40.4 | 177.4 | -71.5 | 167.5 | 0 | 0 | 0 | 111.4 | L1368 I1414 V1421 R1424 K1425 I1432 L1433 L1460 | L1368-L1428 HydrophobicContact CD2-CD2 3.85Å; I1414-L1428 HydrophobicContact CG2-CD1 4.44Å; I1414-L1428 HydrophobicContact CG2-CD2 4.1Å; V1421-L1428 HydrophobicContact CB-CD1 4.2Å; V1421-L1428 HydrophobicContact CG1-CD1 4.29Å; V1421-L1428 HydrophobicContact CG2-CD1 4.12Å; R1424-L1428 HydrophobicContact CB-CD1 4.48Å; R1424-L1428 PolarHBondContact O-N 3.5Å; K1425-L1428 PolarHBondContact O-N 3.38Å; L1428-I1432 HydrophobicContact CD2-CG1 4.27Å; L1428-I1432 PolarHBondContact O-N 2.88Å; L1428-L1433 PolarHBondContact O-N 3.03Å; L1428-L1460 HydrophobicContact CD1-CD2 4.36Å |
| 1429 | I | 78.8 | Confident | 77.7 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -71.1 | -36.8 | 176.2 | -67.2 | 170.9 | 0 | 0 | 0 | 111.6 | K1425 Q1426 L1433 P1434 F1464 L1619 Y1622 | K1425-I1429 HydrophobicContact CG-CD1 3.7Å; K1425-I1429 WeakPolarHBondContact O-CB 3.46Å; K1425-I1429 VanDerWaalsContact O-CG1 3.27Å; K1425-I1429 WeakPolarHBondContact O-CG1 3.43Å; K1425-I1429 PolarHBondContact O-N 3.44Å; Q1426-I1429 PolarHBondContact O-N 3.34Å; I1429-L1433 HydrophobicContact CG2-CD2 4.31Å; I1429-P1434 WeakPolarHBondContact O-CD 3.4Å; I1429-F1464 HydrophobicContact CD1-CD2 4.01Å; I1429-F1464 HydrophobicContact CD1-CE2 3.84Å; I1429-F1464 HydrophobicContact CD1-CZ 4.44Å; I1429-F1464 HydrophobicContact CG1-CD2 4.29Å; I1429-F1464 HydrophobicContact CG1-CE2 3.78Å; I1429-L1619 HydrophobicContact CG2-CG 4.49Å; I1429-Y1622 HydrophobicContact CD1-CD2 3.73Å; I1429-Y1622 HydrophobicContact CD1-CE2 3.43Å; I1429-Y1622 VanDerWaalsContact CD1-CE2 3.43Å; I1429-Y1622 HydrophobicContact CG2-CD2 4.15Å; I1429-Y1622 HydrophobicContact CG2-CG 4.46Å |
| 1430 | C | 77.2 | Confident | 78.1 | Confident | 72 Ų | 72 | 43.3 Ų | 43.3 | 49% | 0.486 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -85.9 | -40.3 | -177 | -61.5 | 0 | 0 | 0 | 0 | 114.1 | Q1426 D1427 | Q1426-C1430 VanDerWaalsContact O-CB 3.29Å; Q1426-C1430 WeakPolarHBondContact O-CB 3.25Å; Q1426-C1430 PolarHBondContact O-N 3.23Å; Q1426-C1430 PolarHBondContact O-SG 2.89Å; D1427-C1430 PolarHBondContact O-N 3.38Å |
| 1431 | L | 78.1 | Confident | 78.3 | Confident | 65 Ų | 65 | 46 Ų | 46 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -100.9 | -23.7 | -169.3 | -56.2 | 177.8 | 0 | 0 | 0 | 114.3 | S1372 D1427 | S1372-L1431 VanDerWaalsContact CB-O 3.26Å; S1372-L1431 WeakPolarHBondContact CB-O 3.37Å; S1372-L1431 PolarHBondContact OG-O 3.28Å; D1427-L1431 HydrophobicContact CB-CD1 4.17Å; D1427-L1431 WeakPolarHBondContact O-CA 3.35Å; D1427-L1431 WeakPolarHBondContact O-CB 3.33Å; D1427-L1431 WeakPolarHBondContact O-CG 3.36Å; D1427-L1431 PolarHBondContact O-N 3.33Å |
| 1432 | I | 83.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -117.1 | -47.8 | -170.3 | -58.7 | -61.8 | 0 | 0 | 0 | 111.8 | L1368 A1371 L1375 I1411 L1428 P1434 G1435 L1436 | L1368-I1432 HydrophobicContact CD2-CG1 4.33Å; A1371-I1432 HydrophobicContact CB-CD1 3.98Å; L1375-I1432 HydrophobicContact CD1-CD1 3.99Å; L1375-I1432 HydrophobicContact CD1-CG2 4.05Å; I1411-I1432 HydrophobicContact CD1-CG2 4.29Å; I1411-I1432 HydrophobicContact CG2-CG2 3.99Å; L1428-I1432 HydrophobicContact CD2-CG1 4.27Å; L1428-I1432 PolarHBondContact O-N 2.88Å; I1432-P1434 VanDerWaalsContact C-CD 3.48Å; I1432-G1435 PolarHBondContact O-N 2.66Å; I1432-G1435 VanDerWaalsContact O-N 3.11Å; I1432-L1436 HydrophobicContact CG2-CD1 3.67Å; I1432-L1436 HydrophobicContact CG2-CG 3.99Å; I1432-L1436 PolarHBondContact O-N 3.34Å |
| 1433 | L | 84.5 | Confident | 77.7 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.4 | -41.5 | -177.6 | -176.7 | 67.4 | 0 | 0 | 0 | 114.1 | L1428 I1429 G1435 L1436 A1437 I1457 L1460 L1618 L1619 | L1428-L1433 PolarHBondContact O-N 3.03Å; I1429-L1433 HydrophobicContact CG2-CD2 4.31Å; L1433-G1435 VanDerWaalsContact C-N 3.33Å; L1433-G1435 PolarHBondContact O-N 3.33Å; L1433-L1436 PolarHBondContact O-N 3.41Å; L1433-A1437 WeakPolarHBondContact O-CB 3.46Å; L1433-A1437 PolarHBondContact O-N 3.49Å; L1433-I1457 HydrophobicContact CD1-CG1 3.98Å; L1433-I1457 HydrophobicContact CD1-CG2 4.34Å; L1433-L1460 HydrophobicContact CD1-CD1 4.46Å; L1433-L1618 HydrophobicContact CD1-CD1 4.35Å; L1433-L1618 HydrophobicContact CD2-CB 3.87Å; L1433-L1618 HydrophobicContact CD2-CD1 4.09Å; L1433-L1619 HydrophobicContact CD2-CD1 3.8Å |
| 1434 | P | 82.2 | Confident | 77.3 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 28% | 0.279 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.8 | -35.7 | 178.5 | -22.2 | 34.8 | 0 | 0 | 0 | 112.9 | I1429 I1432 R1438 | I1429-P1434 WeakPolarHBondContact O-CD 3.4Å; I1432-P1434 VanDerWaalsContact C-CD 3.48Å; P1434-R1438 WeakPolarHBondContact O-CG 3.23Å; P1434-R1438 PolarHBondContact O-N 2.88Å; P1434-R1438 VanDerWaalsContact O-N 3.14Å |
| 1435 | G | 80.6 | Confident | 77.1 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.1 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1432 L1433 R1438 L1439 | I1432-G1435 PolarHBondContact O-N 2.66Å; I1432-G1435 VanDerWaalsContact O-N 3.11Å; L1433-G1435 VanDerWaalsContact C-N 3.33Å; L1433-G1435 PolarHBondContact O-N 3.33Å; G1435-R1438 PolarHBondContact O-N 3.43Å; G1435-L1439 WeakPolarHBondContact O-CG 3.32Å; G1435-L1439 PolarHBondContact O-N 3.02Å |
| 1436 | L | 84 | Confident | 77 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.8 | -66.5 | 173.7 | 0 | 0 | 0 | 112.4 | L1408 I1411 I1432 L1433 L1439 A1440 I1456 I1457 | L1408-L1436 HydrophobicContact CD2-CD2 4.09Å; I1411-L1436 HydrophobicContact CG2-CD1 4.28Å; I1432-L1436 HydrophobicContact CG2-CD1 3.67Å; I1432-L1436 HydrophobicContact CG2-CG 3.99Å; I1432-L1436 PolarHBondContact O-N 3.34Å; L1433-L1436 PolarHBondContact O-N 3.41Å; L1436-L1439 PolarHBondContact O-N 3.28Å; L1436-A1440 WeakPolarHBondContact O-CB 3.48Å; L1436-A1440 PolarHBondContact O-N 3.36Å; L1436-I1456 HydrophobicContact CD1-CB 4.21Å; L1436-I1456 HydrophobicContact CD1-CG2 3.39Å; L1436-I1456 HydrophobicContact CD2-CD1 4.28Å; L1436-I1457 HydrophobicContact CB-CD1 4.17Å; L1436-I1457 HydrophobicContact CB-CG1 4.2Å |
| 1437 | A | 82 | Confident | 76.7 | Confident | 18 Ų | 18 | 38 Ų | 38 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1433 L1439 A1440 V1441 V1615 | L1433-A1437 WeakPolarHBondContact O-CB 3.46Å; L1433-A1437 PolarHBondContact O-N 3.49Å; A1437-L1439 PolarHBondContact O-N 2.98Å; A1437-A1440 PolarHBondContact O-N 2.9Å; A1437-V1441 WeakPolarHBondContact O-CG2 3.46Å; A1437-V1441 PolarHBondContact O-N 3.38Å; A1437-V1615 HydrophobicContact CB-CG2 4.13Å |
| 1438 | R | 80.3 | Confident | 76.7 | Confident | 119 Ų | 119 | 41.4 Ų | 41.4 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 174.8 | -72.5 | -169.8 | -63.3 | -115.5 | 8.2 | 112.5 | T1379 P1434 G1435 C1442 | T1379-R1438 VanDerWaalsContact CB-NE 3.33Å; T1379-R1438 HydrophobicContact CG2-CB 3.65Å; T1379-R1438 PolarHBondContact OG1-NE 2.91Å; T1379-R1438 PolarHBondContact OG1-NH2 2.92Å; P1434-R1438 WeakPolarHBondContact O-CG 3.23Å; P1434-R1438 PolarHBondContact O-N 2.88Å; P1434-R1438 VanDerWaalsContact O-N 3.14Å; G1435-R1438 PolarHBondContact O-N 3.43Å; R1438-C1442 WeakPolarHBondContact O-CB 3.38Å; R1438-C1442 PolarHBondContact O-N 3.23Å |
| 1439 | L | 80.9 | Confident | 76.7 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.5 | -35.3 | 175 | -74.1 | 179.1 | 0 | 0 | 0 | 113.5 | L1375 W1378 T1379 L1404 G1435 L1436 A1437 V1441 T1445 | L1375-L1439 HydrophobicContact CD2-CD1 3.55Å; W1378-L1439 HydrophobicContact CB-CD2 4.46Å; T1379-L1439 HydrophobicContact CG2-CD2 3.86Å; T1379-L1439 HydrophobicContact CG2-CG 3.77Å; L1404-L1439 HydrophobicContact CD1-CD1 4.32Å; G1435-L1439 WeakPolarHBondContact O-CG 3.32Å; G1435-L1439 PolarHBondContact O-N 3.02Å; L1436-L1439 PolarHBondContact O-N 3.28Å; A1437-L1439 PolarHBondContact O-N 2.98Å; L1439-V1441 VanDerWaalsContact C-N 3.34Å; L1439-T1445 HydrophobicContact CD2-CG2 4.13Å; L1439-T1445 PolarHBondContact O-OG1 2.94Å |
| 1440 | A | 78.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.3 | -33.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L1436 A1437 R1450 C1453 V1454 I1457 L1611 | L1436-A1440 WeakPolarHBondContact O-CB 3.48Å; L1436-A1440 PolarHBondContact O-N 3.36Å; A1437-A1440 PolarHBondContact O-N 2.9Å; A1440-R1450 WeakPolarHBondContact O-CD 3.4Å; A1440-R1450 WeakPolarHBondContact O-CG 3.24Å; A1440-C1453 HydrophobicContact CB-CB 3.99Å; A1440-V1454 HydrophobicContact CB-CG2 4.14Å; A1440-I1457 HydrophobicContact CB-CD1 4.42Å; A1440-L1611 HydrophobicContact CB-CD2 3.92Å |
| 1441 | V | 75.5 | Confident | 76.6 | Confident | 67 Ų | 67 | 41 Ų | 41 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -89.2 | -33.2 | -177.7 | 175.7 | 0 | 0 | 0 | 0 | 113.1 | A1437 L1439 S1443 L1608 L1611 | A1437-V1441 WeakPolarHBondContact O-CG2 3.46Å; A1437-V1441 PolarHBondContact O-N 3.38Å; L1439-V1441 VanDerWaalsContact C-N 3.34Å; V1441-S1443 PolarHBondContact O-N 3.21Å; V1441-L1608 HydrophobicContact CB-CD2 4.47Å; V1441-L1608 HydrophobicContact CG1-CD2 3.93Å; V1441-L1608 HydrophobicContact CG2-CD2 3.98Å; V1441-L1611 HydrophobicContact CG2-CD2 3.53Å |
| 1442 | C | 73 | Confident | 76.8 | Confident | 54 Ų | 54 | 40.5 Ų | 40.5 | 37% | 0.365 | 22% | 0.224 | S | C | . | . | trans | -58.3 | 118.4 | -171.2 | 178.8 | 0 | 0 | 0 | 0 | 113.1 | R1438 N1444 T1445 | R1438-C1442 WeakPolarHBondContact O-CB 3.38Å; R1438-C1442 PolarHBondContact O-N 3.23Å; C1442-N1444 PolarHBondContact O-N 2.98Å; C1442-N1444 VanDerWaalsContact O-N 3.07Å; C1442-T1445 HydrophobicContact CB-CG2 3.83Å; C1442-T1445 PolarHBondContact O-N 3.16Å; C1442-T1445 PolarHBondContact O-OG1 3.07Å | ||
| 1443 | S | 63.4 | Low | 76.8 | Confident | 69 Ų | 69 | 40.5 Ų | 40.5 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.6 | -175.7 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | V1441 T1445 | V1441-S1443 PolarHBondContact O-N 3.21Å; S1443-T1445 VanDerWaalsContact C-N 3.28Å; S1443-T1445 PolarHBondContact O-N 3.27Å |
| 1444 | N | 64.6 | Low | 76.7 | Confident | 123 Ų | 123 | 40.8 Ų | 40.8 | 66% | 0.658 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.1 | -173.4 | -60.3 | 0.3 | 0 | 0 | 0 | 112.2 | H1394 C1442 | H1394-N1444 PolarHBondContact CD2-O 3.28Å; C1442-N1444 PolarHBondContact O-N 2.98Å; C1442-N1444 VanDerWaalsContact O-N 3.07Å |
| 1445 | T | 67.3 | Low | 76.7 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -82.5 | 139.6 | -176.3 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | L1439 C1442 S1443 R1450 | L1439-T1445 HydrophobicContact CD2-CG2 4.13Å; L1439-T1445 PolarHBondContact O-OG1 2.94Å; C1442-T1445 HydrophobicContact CB-CG2 3.83Å; C1442-T1445 PolarHBondContact O-N 3.16Å; C1442-T1445 PolarHBondContact O-OG1 3.07Å; S1443-T1445 VanDerWaalsContact C-N 3.28Å; S1443-T1445 PolarHBondContact O-N 3.27Å; T1445-R1450 PolarHBondContact O-NE 3.09Å; T1445-R1450 PolarHBondContact O-NH2 3.37Å; T1445-R1450 VanDerWaalsContact OG1-CD 3.22Å; T1445-R1450 WeakPolarHBondContact OG1-CD 3.3Å; T1445-R1450 WeakPolarHBondContact OG1-CG 3.48Å; T1445-R1450 PolarHBondContact OG1-NE 3.3Å |
| 1446 | K | 72.7 | Confident | 76.8 | Confident | 41 Ų | 41 | 43 Ų | 43 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | trans | -51 | 138.9 | 173.9 | -74.7 | -180 | 178.3 | 173.6 | 0 | 111.7 | H1394 D1401 E1448 V1449 R1450 | H1394-K1446 HydrophobicContact CB-CD 4.47Å; H1394-K1446 HydrophobicContact CB-CG 4.17Å; D1401-K1446 IonicContact OD1-NZ 2.7Å; D1401-K1446 PolarHBondContact OD1-NZ 3.31Å; D1401-K1446 IonicContact OD2-NZ 2.69Å; D1401-K1446 PolarHBondContact OD2-NZ 2.84Å; K1446-E1448 WeakPolarHBondContact CB-OE2 3.46Å; K1446-E1448 PolarHBondContact O-N 3.49Å; K1446-V1449 HydrophobicContact CB-CB 4.27Å; K1446-V1449 HydrophobicContact CB-CG2 4.05Å; K1446-V1449 WeakPolarHBondContact O-CB 3.44Å; K1446-V1449 PolarHBondContact O-N 2.92Å; K1446-R1450 PolarHBondContact O-N 3Å; K1446-R1450 VanDerWaalsContact O-N 3.07Å | ||
| 1447 | P | 70.2 | Confident | 76.8 | Confident | 50 Ų | 50 | 43 Ų | 43 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61 | -32.1 | -178 | 25.4 | -33.6 | 0 | 0 | 0 | 112.7 | R1450 S1451 | P1447-R1450 PolarHBondContact O-N 2.81Å; P1447-S1451 WeakPolarHBondContact O-CB 3.33Å; P1447-S1451 PolarHBondContact O-N 2.81Å |
| 1448 | E | 74.5 | Confident | 76.8 | Confident | 120 Ų | 120 | 43.3 Ų | 43.3 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.5 | -40 | 175 | -52.8 | 84.6 | 170.4 | 0 | 0 | 111.6 | K1446 S1451 I1452 | K1446-E1448 WeakPolarHBondContact CB-OE2 3.46Å; K1446-E1448 PolarHBondContact O-N 3.49Å; E1448-S1451 PolarHBondContact O-N 3.28Å; E1448-I1452 WeakPolarHBondContact O-CD1 3.31Å; E1448-I1452 VanDerWaalsContact O-CG1 3.27Å; E1448-I1452 WeakPolarHBondContact O-CG1 3.23Å; E1448-I1452 PolarHBondContact O-N 2.81Å |
| 1449 | V | 78.2 | Confident | 76.9 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 176 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | L1404 L1408 K1446 I1452 C1453 | L1404-V1449 HydrophobicContact CD2-CG1 4.48Å; L1404-V1449 HydrophobicContact CD2-CG2 4.37Å; L1408-V1449 HydrophobicContact CD1-CG1 3.95Å; L1408-V1449 HydrophobicContact CD1-CG2 4.39Å; K1446-V1449 HydrophobicContact CB-CB 4.27Å; K1446-V1449 HydrophobicContact CB-CG2 4.05Å; K1446-V1449 WeakPolarHBondContact O-CB 3.44Å; K1446-V1449 PolarHBondContact O-N 2.92Å; V1449-I1452 PolarHBondContact O-N 3.2Å; V1449-C1453 PolarHBondContact O-N 3.03Å; V1449-C1453 PolarHBondContact O-SG 3.27Å |
| 1450 | R | 76.9 | Confident | 76.9 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.06 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 175.2 | -68.6 | -172.6 | -91.9 | 147.9 | -5.6 | 111.8 | A1440 T1445 K1446 P1447 I1452 C1453 V1454 Y1484 | A1440-R1450 WeakPolarHBondContact O-CD 3.4Å; A1440-R1450 WeakPolarHBondContact O-CG 3.24Å; T1445-R1450 PolarHBondContact O-NE 3.09Å; T1445-R1450 PolarHBondContact O-NH2 3.37Å; T1445-R1450 VanDerWaalsContact OG1-CD 3.22Å; T1445-R1450 WeakPolarHBondContact OG1-CD 3.3Å; T1445-R1450 WeakPolarHBondContact OG1-CG 3.48Å; T1445-R1450 PolarHBondContact OG1-NE 3.3Å; K1446-R1450 PolarHBondContact O-N 3Å; K1446-R1450 VanDerWaalsContact O-N 3.07Å; P1447-R1450 PolarHBondContact O-N 2.81Å; R1450-I1452 VanDerWaalsContact C-N 3.35Å; R1450-I1452 PolarHBondContact O-N 2.71Å; R1450-C1453 PolarHBondContact O-N 2.7Å; R1450-C1453 VanDerWaalsContact O-N 3.16Å; R1450-V1454 WeakPolarHBondContact O-CG2 3.36Å; R1450-V1454 PolarHBondContact O-N 2.94Å; R1450-Y1484 HydrophobicContact CB-CD1 4.16Å; R1450-Y1484 HydrophobicContact CB-CE1 3.55Å |
| 1451 | S | 77 | Confident | 76.9 | Confident | 43 Ų | 43 | 39.2 Ų | 39.2 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 112 | P1447 E1448 V1454 K1455 | P1447-S1451 WeakPolarHBondContact O-CB 3.33Å; P1447-S1451 PolarHBondContact O-N 2.81Å; E1448-S1451 PolarHBondContact O-N 3.28Å; S1451-V1454 PolarHBondContact O-N 2.85Å; S1451-K1455 VanDerWaalsContact O-CB 3.3Å; S1451-K1455 WeakPolarHBondContact O-CB 3.43Å; S1451-K1455 PolarHBondContact O-N 3.05Å |
| 1452 | I | 81.7 | Confident | 77 | Confident | 55 Ų | 55 | 39.2 Ų | 39.2 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.5 | -66.8 | 162.7 | 0 | 0 | 0 | 111.5 | L1408 E1448 V1449 R1450 K1455 I1456 | L1408-I1452 HydrophobicContact CB-CG2 4.1Å; E1448-I1452 WeakPolarHBondContact O-CD1 3.31Å; E1448-I1452 VanDerWaalsContact O-CG1 3.27Å; E1448-I1452 WeakPolarHBondContact O-CG1 3.23Å; E1448-I1452 PolarHBondContact O-N 2.81Å; V1449-I1452 PolarHBondContact O-N 3.2Å; R1450-I1452 VanDerWaalsContact C-N 3.35Å; R1450-I1452 PolarHBondContact O-N 2.71Å; I1452-K1455 PolarHBondContact O-N 2.94Å; I1452-I1456 HydrophobicContact CG2-CD1 3.78Å; I1452-I1456 HydrophobicContact CG2-CG1 4.46Å; I1452-I1456 WeakPolarHBondContact O-CD1 3.49Å; I1452-I1456 VanDerWaalsContact O-CG1 3.26Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.43Å; I1452-I1456 PolarHBondContact O-N 2.68Å |
| 1453 | C | 83.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | A1440 V1449 R1450 I1456 I1457 | A1440-C1453 HydrophobicContact CB-CB 3.99Å; V1449-C1453 PolarHBondContact O-N 3.03Å; V1449-C1453 PolarHBondContact O-SG 3.27Å; R1450-C1453 PolarHBondContact O-N 2.7Å; R1450-C1453 VanDerWaalsContact O-N 3.16Å; C1453-I1456 PolarHBondContact O-N 2.76Å; C1453-I1457 VanDerWaalsContact O-CG1 3.29Å; C1453-I1457 WeakPolarHBondContact O-CG1 3.34Å; C1453-I1457 PolarHBondContact O-N 3.4Å |
| 1454 | V | 82.3 | Confident | 77.8 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -48.3 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | A1440 R1450 S1451 I1456 I1457 T1458 L1480 Y1484 L1611 | A1440-V1454 HydrophobicContact CB-CG2 4.14Å; R1450-V1454 WeakPolarHBondContact O-CG2 3.36Å; R1450-V1454 PolarHBondContact O-N 2.94Å; S1451-V1454 PolarHBondContact O-N 2.85Å; V1454-I1456 VanDerWaalsContact C-N 3.3Å; V1454-I1456 PolarHBondContact O-N 2.83Å; V1454-I1457 CarbonylContact O-C 3.55Å; V1454-I1457 WeakPolarHBondContact O-CA 3.31Å; V1454-I1457 WeakPolarHBondContact O-CB 3.34Å; V1454-I1457 PolarHBondContact O-N 3.34Å; V1454-T1458 HydrophobicContact CG1-CG2 4.36Å; V1454-T1458 WeakPolarHBondContact O-CG2 3.48Å; V1454-T1458 PolarHBondContact O-N 3.48Å; V1454-T1458 PolarHBondContact O-OG1 3.11Å; V1454-L1480 HydrophobicContact CG1-CB 4.43Å; V1454-L1480 HydrophobicContact CG1-CD2 4.27Å; V1454-Y1484 HydrophobicContact CG2-CD2 4.31Å; V1454-Y1484 HydrophobicContact CG2-CE2 3.95Å; V1454-L1611 HydrophobicContact CG2-CD1 4.34Å |
| 1455 | K | 82.4 | Confident | 78 | Confident | 94 Ų | 94 | 31.9 Ų | 31.9 | 41% | 0.409 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.8 | -37.3 | 177.5 | -173.2 | -171.9 | -178.4 | -167.4 | 0 | 113.4 | E1412 S1451 I1452 T1458 N1459 | E1412-K1455 WeakPolarHBondContact OE1-CE 3.35Å; E1412-K1455 IonicContact OE1-NZ 3.85Å; E1412-K1455 PolarHBondContact OE1-NZ 2.92Å; S1451-K1455 VanDerWaalsContact O-CB 3.3Å; S1451-K1455 WeakPolarHBondContact O-CB 3.43Å; S1451-K1455 PolarHBondContact O-N 3.05Å; I1452-K1455 PolarHBondContact O-N 2.94Å; K1455-T1458 WeakPolarHBondContact CA-OG1 3.38Å; K1455-T1458 PolarHBondContact O-OG1 3.48Å; K1455-T1458 VanDerWaalsContact O-OG1 3.11Å; K1455-N1459 WeakPolarHBondContact O-CB 3.27Å; K1455-N1459 PolarHBondContact O-N 2.94Å; K1455-N1459 PolarHBondContact O-ND2 2.66Å |
| 1456 | I | 83.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68 | -41.1 | 174.4 | -67.8 | 162.8 | 0 | 0 | 0 | 110.3 | L1408 I1411 E1412 L1436 I1452 C1453 V1454 N1459 L1460 | L1408-I1456 HydrophobicContact CD2-CD1 4.42Å; I1411-I1456 HydrophobicContact CB-CD1 4.22Å; I1411-I1456 HydrophobicContact CG2-CD1 3.99Å; I1411-I1456 HydrophobicContact CG2-CG2 3.76Å; E1412-I1456 HydrophobicContact CB-CD1 4.39Å; E1412-I1456 HydrophobicContact CB-CG1 4.32Å; E1412-I1456 HydrophobicContact CG-CG1 4.35Å; L1436-I1456 HydrophobicContact CD1-CB 4.21Å; L1436-I1456 HydrophobicContact CD1-CG2 3.39Å; L1436-I1456 HydrophobicContact CD2-CD1 4.28Å; I1452-I1456 HydrophobicContact CG2-CD1 3.78Å; I1452-I1456 HydrophobicContact CG2-CG1 4.46Å; I1452-I1456 WeakPolarHBondContact O-CD1 3.49Å; I1452-I1456 VanDerWaalsContact O-CG1 3.26Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.43Å; I1452-I1456 PolarHBondContact O-N 2.68Å; C1453-I1456 PolarHBondContact O-N 2.76Å; V1454-I1456 VanDerWaalsContact C-N 3.3Å; V1454-I1456 PolarHBondContact O-N 2.83Å; I1456-N1459 PolarHBondContact O-N 2.8Å; I1456-L1460 HydrophobicContact CG2-CD1 4.26Å; I1456-L1460 WeakPolarHBondContact O-CG 3.28Å; I1456-L1460 PolarHBondContact O-N 3.39Å |
| 1457 | I | 83.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.9 | -64.9 | 164.6 | 0 | 0 | 0 | 111 | L1433 L1436 A1440 C1453 V1454 L1460 A1461 L1611 L1614 V1615 | L1433-I1457 HydrophobicContact CD1-CG1 3.98Å; L1433-I1457 HydrophobicContact CD1-CG2 4.34Å; L1436-I1457 HydrophobicContact CB-CD1 4.17Å; L1436-I1457 HydrophobicContact CB-CG1 4.2Å; A1440-I1457 HydrophobicContact CB-CD1 4.42Å; C1453-I1457 VanDerWaalsContact O-CG1 3.29Å; C1453-I1457 WeakPolarHBondContact O-CG1 3.34Å; C1453-I1457 PolarHBondContact O-N 3.4Å; V1454-I1457 CarbonylContact O-C 3.55Å; V1454-I1457 WeakPolarHBondContact O-CA 3.31Å; V1454-I1457 WeakPolarHBondContact O-CB 3.34Å; V1454-I1457 PolarHBondContact O-N 3.34Å; I1457-L1460 PolarHBondContact O-N 2.94Å; I1457-A1461 WeakPolarHBondContact O-CB 3.48Å; I1457-A1461 PolarHBondContact O-N 3.08Å; I1457-L1611 HydrophobicContact CD1-CD1 4.06Å; I1457-L1614 HydrophobicContact CG2-CD2 3.94Å; I1457-L1614 HydrophobicContact CG2-CG 4.43Å; I1457-V1615 HydrophobicContact CG2-CG2 4.44Å |
| 1458 | T | 80.9 | Confident | 75.9 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.6 | -34.3 | 176.1 | 60.7 | 0 | 0 | 0 | 0 | 113 | V1454 K1455 A1461 S1462 L1477 L1614 | V1454-T1458 HydrophobicContact CG1-CG2 4.36Å; V1454-T1458 WeakPolarHBondContact O-CG2 3.48Å; V1454-T1458 PolarHBondContact O-N 3.48Å; V1454-T1458 PolarHBondContact O-OG1 3.11Å; K1455-T1458 WeakPolarHBondContact CA-OG1 3.38Å; K1455-T1458 PolarHBondContact O-OG1 3.48Å; K1455-T1458 VanDerWaalsContact O-OG1 3.11Å; T1458-A1461 PolarHBondContact O-N 3.46Å; T1458-S1462 PolarHBondContact O-N 2.68Å; T1458-S1462 PolarHBondContact O-OG 3.4Å; T1458-S1462 VanDerWaalsContact O-OG 3.07Å; T1458-L1477 HydrophobicContact CG2-CD2 3.47Å; T1458-L1477 VanDerWaalsContact CG2-CD2 3.47Å; T1458-L1614 HydrophobicContact CG2-CD2 4.26Å |
| 1459 | N | 82.2 | Confident | 74.9 | Confident | 36 Ų | 36 | 40.2 Ų | 40.2 | 19% | 0.193 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 168.9 | -76.4 | -11.2 | 0 | 0 | 0 | 112.1 | S1415 K1455 I1456 S1462 V1463 | S1415-N1459 PolarHBondContact OG-ND2 3.33Å; K1455-N1459 WeakPolarHBondContact O-CB 3.27Å; K1455-N1459 PolarHBondContact O-N 2.94Å; K1455-N1459 PolarHBondContact O-ND2 2.66Å; I1456-N1459 PolarHBondContact O-N 2.8Å; N1459-S1462 PolarHBondContact O-OG 3.15Å; N1459-V1463 WeakPolarHBondContact O-CG2 3.37Å; N1459-V1463 PolarHBondContact O-N 3.44Å |
| 1460 | L | 82.3 | Confident | 73.6 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.3 | -41.1 | 175.2 | -69 | 172.4 | 0 | 0 | 0 | 111.1 | V1421 L1428 L1433 I1456 I1457 V1463 F1464 | V1421-L1460 HydrophobicContact CG1-CD2 3.71Å; V1421-L1460 HydrophobicContact CG2-CD2 4.25Å; L1428-L1460 HydrophobicContact CD1-CD2 4.36Å; L1433-L1460 HydrophobicContact CD1-CD1 4.46Å; I1456-L1460 HydrophobicContact CG2-CD1 4.26Å; I1456-L1460 WeakPolarHBondContact O-CG 3.28Å; I1456-L1460 PolarHBondContact O-N 3.39Å; I1457-L1460 PolarHBondContact O-N 2.94Å; L1460-V1463 PolarHBondContact O-N 3.19Å; L1460-F1464 HydrophobicContact CB-CD2 4.16Å; L1460-F1464 HydrophobicContact CB-CE2 4.05Å; L1460-F1464 HydrophobicContact CD2-CE2 3.95Å; L1460-F1464 HydrophobicContact CD2-CZ 4.17Å; L1460-F1464 VanDerWaalsContact O-CB 3.26Å; L1460-F1464 WeakPolarHBondContact O-CB 3.48Å; L1460-F1464 WeakPolarHBondContact O-CD2 3.48Å; L1460-F1464 WeakPolarHBondContact O-CG 3.31Å; L1460-F1464 PolarHBondContact O-N 2.77Å; L1460-F1464 VanDerWaalsContact O-N 3.08Å |
| 1461 | A | 79.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1457 T1458 V1463 F1464 L1465 L1614 L1618 | I1457-A1461 WeakPolarHBondContact O-CB 3.48Å; I1457-A1461 PolarHBondContact O-N 3.08Å; T1458-A1461 PolarHBondContact O-N 3.46Å; A1461-V1463 PolarHBondContact O-N 2.67Å; A1461-F1464 PolarHBondContact O-N 3.09Å; A1461-L1465 HydrophobicContact CB-CD1 4.41Å; A1461-L1465 WeakPolarHBondContact O-CB 3.36Å; A1461-L1465 PolarHBondContact O-N 2.82Å; A1461-L1614 HydrophobicContact CB-CD1 3.67Å; A1461-L1614 HydrophobicContact CB-CD2 4.21Å; A1461-L1614 HydrophobicContact CB-CG 4.09Å; A1461-L1618 HydrophobicContact CB-CD1 4.45Å |
| 1462 | S | 77.4 | Confident | 71 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 46% | 0.462 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.6 | -14.5 | 179.9 | 57 | 0 | 0 | 0 | 0 | 114.6 | T1458 N1459 | T1458-S1462 PolarHBondContact O-N 2.68Å; T1458-S1462 PolarHBondContact O-OG 3.4Å; T1458-S1462 VanDerWaalsContact O-OG 3.07Å; N1459-S1462 PolarHBondContact O-OG 3.15Å |
| 1463 | V | 75.5 | Confident | 69.6 | Low | 49 Ų | 49 | 46 Ų | 46 | 30% | 0.297 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -95.3 | -19.8 | 171.1 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | T1418 V1421 N1459 L1460 A1461 | T1418-V1463 HydrophobicContact CG2-CG2 3.99Å; V1421-V1463 HydrophobicContact CB-CG1 4.24Å; V1421-V1463 HydrophobicContact CG1-CB 4.03Å; V1421-V1463 HydrophobicContact CG1-CG1 3.67Å; N1459-V1463 WeakPolarHBondContact O-CG2 3.37Å; N1459-V1463 PolarHBondContact O-N 3.44Å; L1460-V1463 PolarHBondContact O-N 3.19Å; A1461-V1463 PolarHBondContact O-N 2.67Å |
| 1464 | F | 76.5 | Confident | 68 | Low | 20 Ų | 20 | 49.7 Ų | 49.7 | 9% | 0.088 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -108 | -19 | -171.8 | -67.5 | -21.9 | 0 | 0 | 0 | 115.4 | V1421 K1425 I1429 L1460 A1461 L1618 | V1421-F1464 HydrophobicContact CG1-CD1 4.23Å; V1421-F1464 HydrophobicContact CG1-CE1 3.37Å; V1421-F1464 HydrophobicContact CG1-CE2 4.29Å; V1421-F1464 HydrophobicContact CG1-CZ 3.4Å; K1425-F1464 HydrophobicContact CB-CE1 3.76Å; K1425-F1464 HydrophobicContact CB-CZ 3.96Å; K1425-F1464 HydrophobicContact CD-CD1 3.48Å; K1425-F1464 VanDerWaalsContact CD-CD1 3.48Å; K1425-F1464 HydrophobicContact CD-CE1 3.48Å; K1425-F1464 VanDerWaalsContact CD-CE1 3.48Å; K1425-F1464 HydrophobicContact CD-CG 4.13Å; K1425-F1464 HydrophobicContact CD-CZ 4.16Å; K1425-F1464 VanDerWaalsContact CE-CG 3.43Å; K1425-F1464 HydrophobicContact CG-CD1 3.91Å; K1425-F1464 HydrophobicContact CG-CE1 3.41Å; K1425-F1464 VanDerWaalsContact CG-CE1 3.41Å; K1425-F1464 HydrophobicContact CG-CE2 4.22Å; K1425-F1464 HydrophobicContact CG-CG 4.47Å; K1425-F1464 HydrophobicContact CG-CZ 3.6Å; K1425-F1464 PolarHBondContact NZ-O 3.4Å; I1429-F1464 HydrophobicContact CD1-CD2 4.01Å; I1429-F1464 HydrophobicContact CD1-CE2 3.84Å; I1429-F1464 HydrophobicContact CD1-CZ 4.44Å; I1429-F1464 HydrophobicContact CG1-CD2 4.29Å; I1429-F1464 HydrophobicContact CG1-CE2 3.78Å; L1460-F1464 HydrophobicContact CB-CD2 4.16Å; L1460-F1464 HydrophobicContact CB-CE2 4.05Å; L1460-F1464 HydrophobicContact CD2-CE2 3.95Å; L1460-F1464 HydrophobicContact CD2-CZ 4.17Å; L1460-F1464 VanDerWaalsContact O-CB 3.26Å; L1460-F1464 WeakPolarHBondContact O-CB 3.48Å; L1460-F1464 WeakPolarHBondContact O-CD2 3.48Å; L1460-F1464 WeakPolarHBondContact O-CG 3.31Å; L1460-F1464 PolarHBondContact O-N 2.77Å; L1460-F1464 VanDerWaalsContact O-N 3.08Å; A1461-F1464 PolarHBondContact O-N 3.09Å; F1464-L1618 HydrophobicContact CB-CD2 3.61Å; F1464-L1618 HydrophobicContact CD2-CD2 3.83Å; F1464-L1618 HydrophobicContact CG-CD2 4.25Å |
| 1465 | L | 68.5 | Low | 66.4 | Low | 24 Ų | 24 | 52.5 Ų | 52.5 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -111.9 | 138.4 | 175.4 | -59.4 | 176.3 | 0 | 0 | 0 | 109.1 | A1461 D1469 L1614 K1617 L1618 | A1461-L1465 HydrophobicContact CB-CD1 4.41Å; A1461-L1465 WeakPolarHBondContact O-CB 3.36Å; A1461-L1465 PolarHBondContact O-N 2.82Å; L1465-D1469 HydrophobicContact CB-CB 4.29Å; L1465-L1614 HydrophobicContact CD1-CD1 4.23Å; L1465-K1617 HydrophobicContact CD1-CB 4.36Å; L1465-K1617 HydrophobicContact CD1-CD 4.34Å; L1465-K1617 HydrophobicContact CD2-CB 4.38Å; L1465-L1618 HydrophobicContact CG-CD2 4.39Å |
| 1466 | G | 60.3 | Low | 65 | Low | 40 Ų | 40 | 49.8 Ų | 49.8 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | trans | -73.2 | 166.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1468 D1469 L1470 | G1466-S1468 PolarHBondContact O-N 3.13Å; G1466-S1468 VanDerWaalsContact O-N 3.1Å; G1466-D1469 PolarHBondContact O-N 3.06Å; G1466-L1470 PolarHBondContact O-N 3.45Å | ||
| 1467 | E | 55.6 | Low | 63.5 | Low | 184 Ų | 184 | 51.2 Ų | 51.2 | 86% | 0.86 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -54.9 | -31 | 179.4 | -63.2 | -176.9 | 149.6 | 0 | 0 | 112.9 | A1471 | E1467-A1471 PolarHBondContact O-N 3.24Å |
| 1468 | S | 51.1 | Low | 62 | Low | 85 Ų | 85 | 55 Ų | 55 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.5 | -48.4 | 173.5 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | G1466 A1471 | G1466-S1468 PolarHBondContact O-N 3.13Å; G1466-S1468 VanDerWaalsContact O-N 3.1Å; S1468-A1471 WeakPolarHBondContact O-CB 3.23Å; S1468-A1471 PolarHBondContact O-N 2.86Å |
| 1469 | D | 53 | Low | 60.7 | Low | 84 Ų | 84 | 59.5 Ų | 59.5 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -83.9 | -23.4 | -170.7 | -55.2 | 2.5 | 0 | 0 | 0 | 110.8 | L1465 G1466 S1473 | L1465-D1469 HydrophobicContact CB-CB 4.29Å; G1466-D1469 PolarHBondContact O-N 3.06Å; D1469-S1473 PolarHBondContact O-OG 3.48Å |
| 1470 | L | 52.2 | Low | 59.4 | Low | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.3 | -34.8 | 171.6 | -157.6 | 72.9 | 0 | 0 | 0 | 111.2 | G1466 D1472 S1473 T1474 L1477 | G1466-L1470 PolarHBondContact O-N 3.45Å; L1470-D1472 PolarHBondContact O-N 3Å; L1470-S1473 CarbonylContact O-C 3.37Å; L1470-S1473 WeakPolarHBondContact O-CA 3.4Å; L1470-S1473 WeakPolarHBondContact O-CB 3.39Å; L1470-S1473 PolarHBondContact O-N 3.42Å; L1470-T1474 WeakPolarHBondContact O-CG2 3.44Å; L1470-T1474 PolarHBondContact O-N 3.1Å; L1470-L1477 HydrophobicContact CD1-CD1 3.7Å; L1470-L1477 HydrophobicContact CG-CD1 4.22Å |
| 1471 | A | 48.3 | Very low | 57.9 | Low | 51 Ų | 51 | 63.9 Ų | 63.9 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.9 | -54.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1467 S1468 S1473 T1474 | E1467-A1471 PolarHBondContact O-N 3.24Å; S1468-A1471 WeakPolarHBondContact O-CB 3.23Å; S1468-A1471 PolarHBondContact O-N 2.86Å; A1471-S1473 PolarHBondContact O-N 3.43Å; A1471-S1473 VanDerWaalsContact O-N 3.1Å; A1471-T1474 WeakPolarHBondContact O-CB 3.33Å; A1471-T1474 PolarHBondContact O-N 3.38Å; A1471-T1474 PolarHBondContact O-OG1 3.47Å |
| 1472 | D | 50.9 | Low | 56.7 | Low | 148 Ų | 148 | 70 Ų | 70 | 79% | 0.791 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.5 | 175.7 | -70.9 | -15.6 | 0 | 0 | 0 | 113.2 | L1470 | L1470-D1472 PolarHBondContact O-N 3Š|
| 1473 | S | 51.8 | Low | 55.4 | Low | 5 Ų | 5 | 69.5 Ų | 69.5 | 4% | 0.035 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -4.7 | 178.9 | -44.8 | 0 | 0 | 0 | 0 | 113.1 | D1469 L1470 A1471 A1475 S1476 L1477 K1617 | D1469-S1473 PolarHBondContact O-OG 3.48Å; L1470-S1473 CarbonylContact O-C 3.37Å; L1470-S1473 WeakPolarHBondContact O-CA 3.4Å; L1470-S1473 WeakPolarHBondContact O-CB 3.39Å; L1470-S1473 PolarHBondContact O-N 3.42Å; A1471-S1473 PolarHBondContact O-N 3.43Å; A1471-S1473 VanDerWaalsContact O-N 3.1Å; S1473-A1475 PolarHBondContact O-N 3.39Å; S1473-S1476 PolarHBondContact O-OG 2.95Å; S1473-L1477 WeakPolarHBondContact O-CB 3.32Å; S1473-L1477 WeakPolarHBondContact O-CD1 3.33Å; S1473-L1477 VanDerWaalsContact O-CG 3.27Å; S1473-L1477 WeakPolarHBondContact O-CG 3.23Å; S1473-L1477 PolarHBondContact O-N 3.33Å; S1473-K1617 PolarHBondContact OG-NZ 3.28Å |
| 1474 | T | 49.1 | Very low | 54.3 | Low | 77 Ų | 77 | 68.8 Ų | 68.8 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | -172.4 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | L1470 A1471 L1477 V1478 | L1470-T1474 WeakPolarHBondContact O-CG2 3.44Å; L1470-T1474 PolarHBondContact O-N 3.1Å; A1471-T1474 WeakPolarHBondContact O-CB 3.33Å; A1471-T1474 PolarHBondContact O-N 3.38Å; A1471-T1474 PolarHBondContact O-OG1 3.47Å; T1474-L1477 PolarHBondContact O-N 2.98Å; T1474-V1478 WeakPolarHBondContact O-CG2 3.5Å; T1474-V1478 PolarHBondContact O-N 3.26Å |
| 1475 | A | 49.9 | Very low | 52.8 | Low | 67 Ų | 67 | 71.8 Ų | 71.8 | 55% | 0.554 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.2 | -53 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1473 L1477 V1478 E1479 | S1473-A1475 PolarHBondContact O-N 3.39Å; A1475-L1477 VanDerWaalsContact C-N 3.31Å; A1475-L1477 PolarHBondContact O-N 2.86Å; A1475-V1478 PolarHBondContact O-N 2.7Å; A1475-E1479 WeakPolarHBondContact O-CG 3.4Å; A1475-E1479 PolarHBondContact O-N 3.07Å |
| 1476 | S | 53.1 | Low | 51.3 | Low | 37 Ų | 37 | 76.2 Ų | 76.2 | 26% | 0.259 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61 | -34.2 | 175.8 | 39.9 | 0 | 0 | 0 | 0 | 113.7 | S1473 L1480 | S1473-S1476 PolarHBondContact O-OG 2.95Å; S1476-L1480 VanDerWaalsContact O-CB 3.32Å; S1476-L1480 WeakPolarHBondContact O-CB 3.44Å; S1476-L1480 WeakPolarHBondContact O-CD1 3.49Å; S1476-L1480 WeakPolarHBondContact O-CG 3.5Å; S1476-L1480 PolarHBondContact O-N 3.2Å |
| 1477 | L | 51.8 | Low | 50 | Low | 30 Ų | 30 | 79.5 Ų | 79.5 | 16% | 0.157 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.5 | -39.6 | 176.6 | -74.7 | 165.9 | 0 | 0 | 0 | 112.3 | T1458 L1470 S1473 T1474 A1475 L1480 E1481 L1614 | T1458-L1477 HydrophobicContact CG2-CD2 3.47Å; T1458-L1477 VanDerWaalsContact CG2-CD2 3.47Å; L1470-L1477 HydrophobicContact CD1-CD1 3.7Å; L1470-L1477 HydrophobicContact CG-CD1 4.22Å; S1473-L1477 WeakPolarHBondContact O-CB 3.32Å; S1473-L1477 WeakPolarHBondContact O-CD1 3.33Å; S1473-L1477 VanDerWaalsContact O-CG 3.27Å; S1473-L1477 WeakPolarHBondContact O-CG 3.23Å; S1473-L1477 PolarHBondContact O-N 3.33Å; T1474-L1477 PolarHBondContact O-N 2.98Å; A1475-L1477 VanDerWaalsContact C-N 3.31Å; A1475-L1477 PolarHBondContact O-N 2.86Å; L1477-L1480 PolarHBondContact O-N 3.29Å; L1477-E1481 PolarHBondContact O-N 3.06Å; L1477-L1614 HydrophobicContact CD2-CD2 4.08Å |
| 1478 | V | 52.6 | Low | 48.8 | Very low | 79 Ų | 79 | 75.6 Ų | 75.6 | 48% | 0.479 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111 | T1474 A1475 E1481 H1482 | T1474-V1478 WeakPolarHBondContact O-CG2 3.5Å; T1474-V1478 PolarHBondContact O-N 3.26Å; A1475-V1478 PolarHBondContact O-N 2.7Å; V1478-E1481 PolarHBondContact O-N 3.28Å; V1478-H1482 PolarHBondContact O-N 3.35Å; V1478-H1482 PolarHBondContact O-ND1 3.47Å |
| 1479 | E | 52.6 | Low | 47.7 | Very low | 118 Ų | 118 | 79.8 Ų | 79.8 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.5 | -40.2 | 173.8 | -71.3 | -179.7 | 160.5 | 0 | 0 | 112.1 | A1475 H1482 A1483 | A1475-E1479 WeakPolarHBondContact O-CG 3.4Å; A1475-E1479 PolarHBondContact O-N 3.07Å; E1479-H1482 PolarHBondContact O-N 2.88Å; E1479-A1483 VanDerWaalsContact O-CB 3.27Å; E1479-A1483 WeakPolarHBondContact O-CB 3.5Å; E1479-A1483 PolarHBondContact O-N 2.96Å |
| 1480 | L | 54.7 | Low | 46.4 | Very low | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 172.4 | -82 | 165.5 | 0 | 0 | 0 | 112.4 | V1454 S1476 L1477 Y1484 V1607 A1610 | V1454-L1480 HydrophobicContact CG1-CB 4.43Å; V1454-L1480 HydrophobicContact CG1-CD2 4.27Å; S1476-L1480 VanDerWaalsContact O-CB 3.32Å; S1476-L1480 WeakPolarHBondContact O-CB 3.44Å; S1476-L1480 WeakPolarHBondContact O-CD1 3.49Å; S1476-L1480 WeakPolarHBondContact O-CG 3.5Å; S1476-L1480 PolarHBondContact O-N 3.2Å; L1477-L1480 PolarHBondContact O-N 3.29Å; L1480-Y1484 HydrophobicContact CD2-CE2 4.42Å; L1480-Y1484 WeakPolarHBondContact O-CD2 3.36Å; L1480-V1607 HydrophobicContact CD2-CB 4.45Å; L1480-V1607 HydrophobicContact CD2-CG1 3.82Å; L1480-V1607 HydrophobicContact CD2-CG2 4.47Å; L1480-A1610 HydrophobicContact CD1-CB 3.93Å; L1480-A1610 HydrophobicContact CG-CB 4.18Å |
| 1481 | E | 52.2 | Low | 45.3 | Very low | 129 Ų | 129 | 86.1 Ų | 86.1 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 175.5 | -74.1 | -159.9 | 136.7 | 0 | 0 | 112.2 | L1477 V1478 S1485 | L1477-E1481 PolarHBondContact O-N 3.06Å; V1478-E1481 PolarHBondContact O-N 3.28Å; E1481-S1485 VanDerWaalsContact O-CB 3.27Å; E1481-S1485 WeakPolarHBondContact O-CB 3.19Å; E1481-S1485 PolarHBondContact O-N 2.75Å; E1481-S1485 PolarHBondContact O-OG 3.14Å |
| 1482 | H | 53.5 | Low | 44.3 | Very low | 128 Ų | 128 | 91.9 Ų | 91.9 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69 | -43.3 | 179.4 | -78.3 | 73.4 | 0 | 0 | 0 | 112.5 | V1478 E1479 Y1484 S1485 V1486 | V1478-H1482 PolarHBondContact O-N 3.35Å; V1478-H1482 PolarHBondContact O-ND1 3.47Å; E1479-H1482 PolarHBondContact O-N 2.88Å; H1482-Y1484 VanDerWaalsContact C-N 3.3Å; H1482-Y1484 PolarHBondContact O-N 2.6Å; H1482-S1485 PolarHBondContact O-N 2.86Å; H1482-V1486 WeakPolarHBondContact O-CG2 3.44Å |
| 1483 | A | 50.9 | Low | 43.1 | Very low | 55 Ų | 55 | 91.5 Ų | 91.5 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -35.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1479 V1607 | E1479-A1483 VanDerWaalsContact O-CB 3.27Å; E1479-A1483 WeakPolarHBondContact O-CB 3.5Å; E1479-A1483 PolarHBondContact O-N 2.96Å; A1483-V1607 HydrophobicContact CB-CG2 3.8Å |
| 1484 | Y | 52.1 | Low | 42.2 | Very low | 34 Ų | 34 | 95.8 Ų | 95.8 | 13% | 0.133 | 55% | 0.553 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | 3.5 | -179.1 | -73.9 | -85.2 | 0 | 0 | 0 | 114.8 | R1450 V1454 L1480 H1482 V1607 | R1450-Y1484 HydrophobicContact CB-CD1 4.16Å; R1450-Y1484 HydrophobicContact CB-CE1 3.55Å; V1454-Y1484 HydrophobicContact CG2-CD2 4.31Å; V1454-Y1484 HydrophobicContact CG2-CE2 3.95Å; L1480-Y1484 HydrophobicContact CD2-CE2 4.42Å; L1480-Y1484 WeakPolarHBondContact O-CD2 3.36Å; H1482-Y1484 VanDerWaalsContact C-N 3.3Å; H1482-Y1484 PolarHBondContact O-N 2.6Å; Y1484-V1607 HydrophobicContact CE2-CG1 3.72Å |
| 1485 | S | 44.5 | Very low | 41 | Very low | 84 Ų | 84 | 100.6 Ų | 100.6 | 59% | 0.587 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -100.7 | -4.4 | -175.7 | -69.4 | 0 | 0 | 0 | 0 | 115.7 | E1481 H1482 | E1481-S1485 VanDerWaalsContact O-CB 3.27Å; E1481-S1485 WeakPolarHBondContact O-CB 3.19Å; E1481-S1485 PolarHBondContact O-N 2.75Å; E1481-S1485 PolarHBondContact O-OG 3.14Å; H1482-S1485 PolarHBondContact O-N 2.86Å |
| 1486 | V | 37.4 | Very low | 39.9 | Very low | 116 Ų | 116 | 102 Ų | 102 | 70% | 0.703 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -97.1 | -10 | -161.4 | 173.6 | 0 | 0 | 0 | 0 | 114.8 | H1482 S1488 | H1482-V1486 WeakPolarHBondContact O-CG2 3.44Å; V1486-S1488 PolarHBondContact O-N 3.43Å |
| 1487 | T | 33.6 | Very low | 38.5 | Very low | 109 Ų | 109 | 105.9 Ų | 105.9 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -94.6 | 20.5 | -166.3 | 59.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1488 | S | 29.2 | Very low | 37.3 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | trans | -137.5 | 43 | -170.6 | 74.8 | 0 | 0 | 0 | 0 | 116.4 | V1486 | V1486-S1488 PolarHBondContact O-N 3.43Š| ||
| 1489 | I | 27.4 | Very low | 35.9 | Very low | 172 Ų | 172 | 117.4 Ų | 117.4 | 88% | 0.882 | 65% | 0.652 | S | S | * | * | trans | -133.8 | 118.5 | 175.1 | -56.4 | 179.1 | 0 | 0 | 0 | 110.5 | ||||
| 1490 | G | 26.5 | Very low | 34.5 | Very low | 68 Ų | 68 | 119.1 Ų | 119.1 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | 138.2 | 57.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1491 | H | 29.3 | Very low | 33.1 | Very low | 196 Ų | 196 | 131 Ų | 131 | 91% | 0.907 | 71% | 0.708 | S | S | * | * | trans | -170.2 | 134.9 | 132.9 | -119.6 | -79.5 | 0 | 0 | 0 | 114 | ||||
| 1492 | E | 26.6 | Very low | 31.8 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | -88.4 | 161.2 | 159.8 | -59.6 | 173.2 | 135.4 | 0 | 0 | 107.6 | ||||
| 1493 | D | 25.8 | Very low | 30.6 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | cis | -166.5 | -172.6 | 33.3 | -154.7 | 19.7 | 0 | 0 | 0 | 109.3 | ||||
| 1494 | P | 33.2 | Very low | 29.3 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | -117.5 | 171.1 | -81.1 | 32.9 | -17.7 | 0 | 0 | 0 | 117.5 | |||||
| 1495 | Q | 24.6 | Very low | 28 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 71.6 | 149.5 | 158.9 | -66.4 | -103.2 | -22.1 | 0 | 0 | 119.5 | ||||
| 1496 | P | 27.1 | Very low | 27.1 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -136.6 | 135.5 | -37.9 | 34.2 | -17.2 | 0 | 0 | 0 | 114.1 | ||||
| 1497 | S | 23.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -158.5 | 135.8 | 166.8 | -83.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1498 | I | 25.5 | Very low | 26 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | 49.3 | 97.4 | 159.3 | -50.2 | 176.1 | 0 | 0 | 0 | 116.6 | ||||
| 1499 | Q | 23.2 | Very low | 25.7 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -84.1 | 129.7 | 169.3 | -65.2 | -175.6 | -0 | 0 | 0 | 112 | ||||
| 1500 | L | 24.3 | Very low | 25.6 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -157.7 | 50.1 | 170.8 | -126.2 | 174.7 | 0 | 0 | 0 | 116.3 | ||||
| 1501 | R | 24.3 | Very low | 25.5 | Very low | 251 Ų | 251 | 156.2 Ų | 156.2 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | trans | 179.8 | 114.5 | 153.1 | -105.9 | 166.7 | -176.5 | -177.3 | 2.6 | 114.8 | ||||
| 1502 | K | 25.3 | Very low | 25.2 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -147.7 | 141.5 | 137.6 | -74.7 | -170.2 | 178.4 | 175.1 | 0 | 104.7 | ||||
| 1503 | Y | 27.5 | Very low | 25.1 | Very low | 220 Ų | 220 | 158.3 Ų | 158.3 | 86% | 0.863 | 81% | 0.807 | S | S | * | * | cis | -133.3 | 146.8 | 29.3 | -84.3 | -106.8 | 0 | 0 | 0 | 114 | ||||
| 1504 | G | 24.6 | Very low | 25.1 | Very low | 62 Ų | 62 | 157.2 Ų | 157.2 | 64% | 0.639 | 81% | 0.807 | S | S | * | * | trans | -103.9 | -175.5 | 131.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1505 | R | 24.3 | Very low | 24.6 | Very low | 247 Ų | 247 | 158.7 Ų | 158.7 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | cis | -130.8 | 177.7 | 7.1 | -66.5 | 169.6 | 165 | 161.5 | -8.3 | 106.8 | ||||
| 1506 | T | 26.7 | Very low | 24.6 | Very low | 128 Ų | 128 | 155.6 Ų | 155.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | cis | -160.4 | 131.3 | 50 | 43.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1507 | S | 23.7 | Very low | 24.6 | Very low | 117 Ų | 117 | 155.7 Ų | 155.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | 85.8 | 124.7 | 75.4 | -161.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1508 | S | 23.6 | Very low | 24.6 | Very low | 111 Ų | 111 | 157.9 Ų | 157.9 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | 83.2 | 101.4 | 159.2 | -159.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1509 | A | 23.4 | Very low | 24.6 | Very low | 85 Ų | 85 | 155.2 Ų | 155.2 | 70% | 0.702 | 83% | 0.825 | S | S | * | * | trans | 77.5 | 158.6 | 130.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1510 | V | 25.2 | Very low | 24.8 | Very low | 143 Ų | 143 | 153.2 Ų | 153.2 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | 79.1 | 142.1 | 168.9 | -162.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1511 | Y | 23.2 | Very low | 24.9 | Very low | 227 Ų | 227 | 152 Ų | 152 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -80.3 | -179.3 | 177.8 | -94.9 | -106.9 | 0 | 0 | 0 | 112.6 | ||||
| 1512 | E | 23 | Very low | 25 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | 93.6 | 171.2 | 171.8 | -55.3 | -140.1 | 122.4 | 0 | 0 | 118.5 | ||||
| 1513 | R | 25.6 | Very low | 25.1 | Very low | 224 Ų | 224 | 147.3 Ų | 147.3 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -74.2 | 153.7 | -154.8 | -62.7 | 168.9 | 170.8 | 155.2 | -5 | 115.1 | V1515 | R1513-V1515 HydrophobicContact CB-CG2 4.45Š| ||
| 1514 | P | 25.2 | Very low | 25.1 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | -128.9 | 156.7 | 110.7 | 38.5 | -32.7 | 0 | 0 | 0 | 111.9 | |||||
| 1515 | V | 23.6 | Very low | 25.2 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | cis | 80.3 | 141.4 | 28 | -173.6 | 0 | 0 | 0 | 0 | 113.8 | R1513 | R1513-V1515 HydrophobicContact CB-CG2 4.45Š| ||
| 1516 | S | 24.1 | Very low | 25.3 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -78.4 | 152.2 | -172.6 | 54.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1517 | A | 26 | Very low | 25.2 | Very low | 101 Ų | 101 | 136 Ų | 136 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -153.4 | 147.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1518 | D | 24.3 | Very low | 25.3 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -82.9 | 169.4 | 160.2 | -77.3 | -63.9 | 0 | 0 | 0 | 110.9 | ||||
| 1519 | A | 25.8 | Very low | 25.4 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 68.1 | 130.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1520 | D | 26.9 | Very low | 25.4 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -151.7 | 82.4 | 155.7 | -157.3 | -1.1 | 0 | 0 | 0 | 112.1 | ||||
| 1521 | V | 27.1 | Very low | 25.3 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | -143.1 | 76.2 | 158.6 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1522 | L | 25.5 | Very low | 25.5 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -166.6 | 99.9 | 157.1 | -111 | -178.5 | 0 | 0 | 0 | 111.3 | ||||
| 1523 | L | 28.2 | Very low | 25.5 | Very low | 181 Ų | 181 | 139 Ų | 139 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | trans | -172.8 | 151.8 | 139.3 | -106.3 | 166.5 | 0 | 0 | 0 | 112.5 | ||||
| 1524 | G | 28.1 | Very low | 25.4 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 103.5 | 110.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1525 | G | 26.2 | Very low | 25.4 | Very low | 67 Ų | 67 | 139.9 Ų | 139.9 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | cis | 170 | 155.2 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1526 | M | 26.3 | Very low | 25.4 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | 61 | 81.4 | 158.1 | -54.5 | -171.8 | 75.7 | 0 | 0 | 119.7 | ||||
| 1527 | S | 24.7 | Very low | 25.4 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | 68.3 | 142.6 | 118 | 75.8 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1528 | K | 25.8 | Very low | 25.3 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 83 | 94.3 | 146.7 | -76.5 | 174.3 | -179.6 | 177.6 | 0 | 121.4 | ||||
| 1529 | T | 24.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | 66 | 113.4 | 122.4 | 56.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1530 | K | 23.8 | Very low | 25.3 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | 70.1 | 134 | 128.2 | -74.2 | -176.4 | 174.1 | 176.1 | 0 | 121.2 | |||||
| 1531 | K | 24.2 | Very low | 25.2 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | 95 | 117.5 | 143.3 | -88.5 | -166.2 | 170.9 | -171.6 | 0 | 120.3 | ||||
| 1532 | T | 25.7 | Very low | 25.1 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | trans | 63.3 | 113.3 | 136.8 | 55.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1533 | D | 24.4 | Very low | 25.1 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | 24.8 | 114.8 | 114.8 | -50.5 | -42 | 0 | 0 | 0 | 117.6 | |||||
| 1534 | R | 23.9 | Very low | 25 | Very low | 221 Ų | 221 | 139.8 Ų | 139.8 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | -174.3 | 148.7 | 97.2 | -106.5 | 178.1 | 168.3 | 169 | -3.7 | 112.8 | |||||
| 1535 | M | 23.8 | Very low | 25.2 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | trans | 68.4 | 125.9 | 146.1 | -70.8 | 169.9 | 78.8 | 0 | 0 | 116 | ||||
| 1536 | Q | 24.5 | Very low | 25.2 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | 49 | 117.2 | 87.2 | -63.5 | 177.3 | -18 | 0 | 0 | 110.3 | |||||
| 1537 | N | 23.7 | Very low | 25.2 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 60% | 0.599 | 74% | 0.74 | S | S | * | * | -177.1 | 163.3 | 50.6 | -107.8 | -26.6 | 0 | 0 | 0 | 110.8 | |||||
| 1538 | F | 24.5 | Very low | 25.1 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 80% | 0.803 | 75% | 0.747 | S | S | * | * | trans | 61.3 | 156.3 | 153.9 | -60.1 | -42.6 | 0 | 0 | 0 | 119.1 | ||||
| 1539 | S | 24.7 | Very low | 25.1 | Very low | 84 Ų | 84 | 147.6 Ų | 147.6 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | cis | -164.1 | 152.7 | -29.2 | 56.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1540 | N | 24.7 | Very low | 25 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | 61.1 | 155.1 | 143.6 | -62.3 | -10.4 | 0 | 0 | 0 | 122 | ||||
| 1541 | L | 25.4 | Very low | 25.1 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | 73.9 | 133.6 | 159.1 | -61.5 | 133.9 | 0 | 0 | 0 | 118.4 | ||||
| 1542 | N | 24.9 | Very low | 25.1 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | cis | -170.3 | 178.4 | -38.8 | -110.7 | -6 | 0 | 0 | 0 | 108.7 | ||||
| 1543 | H | 25.7 | Very low | 25 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -18.7 | 152.8 | 156.7 | -44 | -72 | 0 | 0 | 0 | 116.5 | ||||
| 1544 | V | 24.4 | Very low | 25.1 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | -159.1 | 141.5 | 55.2 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1545 | M | 32.5 | Very low | 25.2 | Very low | 182 Ų | 182 | 139 Ų | 139 | 90% | 0.897 | 73% | 0.725 | S | S | * | * | trans | -93.7 | 139.6 | 158.2 | -105.2 | -101.5 | -169.8 | 0 | 0 | 109.5 | ||||
| 1546 | P | 27.1 | Very low | 25.3 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -137.9 | 130.6 | 146.1 | 33.8 | -18.4 | 0 | 0 | 0 | 114.3 | ||||
| 1547 | S | 26.6 | Very low | 25.4 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -91.7 | 142.3 | 161 | 57.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1548 | R | 23.1 | Very low | 25.6 | Very low | 218 Ų | 218 | 143 Ų | 143 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | 166.8 | 141 | 140 | -98.4 | 175.8 | 170.7 | -173.4 | -3.2 | 113.7 | ||||
| 1549 | M | 24 | Very low | 25.7 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | 51.9 | 158.5 | 129.3 | -57.6 | 171.1 | 82.5 | 0 | 0 | 120.5 | |||||
| 1550 | T | 24.5 | Very low | 26.2 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 63% | 0.632 | 76% | 0.762 | S | S | * | * | cis | -165.5 | 162.4 | -22.4 | 28.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1551 | T | 24.2 | Very low | 26.3 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 54.9 | 113.3 | 148.4 | 50 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1552 | S | 24.5 | Very low | 26.4 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | 62 | 126.8 | 127 | 68.4 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1553 | Q | 24.4 | Very low | 26.5 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 82.9 | 152.8 | 135.5 | -77.7 | -175.1 | -9.7 | 0 | 0 | 122.6 | ||||
| 1554 | Y | 26.3 | Very low | 26.6 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 83.9 | 166.1 | 167.1 | -71.6 | -69.2 | 0 | 0 | 0 | 120.7 | ||||
| 1555 | T | 26.7 | Very low | 26.7 | Very low | 111 Ų | 111 | 145 Ų | 145 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | trans | -137.1 | 173.4 | -142.9 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1556 | L | 25 | Very low | 26.4 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | trans | 78.8 | 145.4 | 178.5 | -53.3 | 135.3 | 0 | 0 | 0 | 114 | ||||
| 1557 | G | 25.8 | Very low | 26.4 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | cis | 168.6 | 137.7 | -12.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1558 | R | 28 | Very low | 26.5 | Very low | 231 Ų | 231 | 142.2 Ų | 142.2 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | 60.8 | 152.1 | 160.2 | -98.9 | -169.5 | -172.2 | 172.2 | 2.9 | 122.2 | ||||
| 1559 | D | 27.2 | Very low | 26.8 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 64.1 | 143.7 | 161.3 | -50.4 | -16.1 | 0 | 0 | 0 | 117.3 | ||||
| 1560 | P | 35.1 | Very low | 27 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | -130 | 167.6 | 82.1 | 39.9 | -31.6 | 0 | 0 | 0 | 113.7 | |||||
| 1561 | G | 27.7 | Very low | 27.3 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -137.5 | 157 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1562 | N | 27.2 | Very low | 27.5 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 71.3 | 119.3 | 157.1 | -96.5 | -44 | 0 | 0 | 0 | 121 | ||||
| 1563 | K | 26.2 | Very low | 27.8 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 74.7 | 154.4 | 144.5 | -57.9 | 157.8 | -177.6 | 163.1 | 0 | 115.2 | ||||
| 1564 | S | 27.6 | Very low | 28.2 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | cis | -153 | 147.9 | 13.8 | 73 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1565 | R | 26.1 | Very low | 28.5 | Very low | 245 Ų | 245 | 132 Ų | 132 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | 54.9 | 115.8 | 138 | -71.2 | 176.3 | 165.3 | 162 | -5.9 | 122.5 | ||||
| 1566 | G | 27.9 | Very low | 28.7 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | 97.2 | 165.1 | 127.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1567 | S | 27.3 | Very low | 29 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | cis | -178.9 | 122.5 | -17.2 | 163.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1568 | N | 26.7 | Very low | 29.3 | Very low | 163 Ų | 163 | 133 Ų | 133 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | 66.2 | 154.9 | 157.8 | -60.9 | -19 | 0 | 0 | 0 | 121.2 | ||||
| 1569 | G | 30.6 | Very low | 29.4 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 100.5 | 85.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1570 | N | 28.9 | Very low | 29.7 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | cis | 87.6 | 131.7 | 28.3 | -161.1 | 8.2 | 0 | 0 | 0 | 114.9 | ||||
| 1571 | K | 29.1 | Very low | 29.3 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 72.8 | 154.4 | 179.3 | -56.3 | 179.4 | -177.4 | 179.5 | 0 | 115.7 | ||||
| 1572 | S | 29.6 | Very low | 29.4 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | -172.9 | 173.3 | -23.6 | 62.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1573 | T | 30.1 | Very low | 29.5 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | cis | -161.9 | 150 | 5.3 | -13.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1574 | G | 33.1 | Very low | 29.7 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 96.8 | 160.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1575 | V | 32.3 | Very low | 30.1 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | cis | -157.8 | 135.2 | -6.7 | 115.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1576 | L | 31.2 | Very low | 30.1 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | 41.2 | 140.9 | 164 | -78.1 | 76.7 | 0 | 0 | 0 | 119.5 | ||||
| 1577 | S | 31.1 | Very low | 30.3 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -168.1 | -176.8 | -3.9 | 59.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1578 | N | 32.2 | Very low | 30.4 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | cis | -151.6 | -170 | 11.9 | -152.5 | 0.6 | 0 | 0 | 0 | 113 | ||||
| 1579 | Q | 30.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 65% | 0.654 | 76% | 0.764 | S | S | * | * | trans | -62.9 | 150 | 177.1 | -61.7 | 156.6 | 68.1 | 0 | 0 | 113.1 | ||||
| 1580 | T | 33.1 | Very low | 30.5 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | cis | -155.4 | 176.5 | 48.2 | 46.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1581 | R | 26.9 | Very low | 30.6 | Very low | 201 Ų | 201 | 146 Ų | 146 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | cis | -177.8 | 103.6 | -41.1 | -172 | 170.4 | -172.5 | -110.1 | 10.3 | 112.5 | ||||
| 1582 | V | 29.9 | Very low | 30.5 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | 74.6 | 144.1 | 140.4 | 166.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1583 | K | 30.1 | Very low | 30.5 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | cis | -163.8 | 152.5 | -13.6 | -108 | -178.7 | -160.8 | 174.1 | 0 | 113.1 | ||||
| 1584 | N | 30 | Very low | 30.4 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 21.9 | 140.7 | 134.9 | -48 | 9.9 | 0 | 0 | 0 | 122.3 | ||||
| 1585 | N | 34.7 | Very low | 30.1 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | -159.2 | 167.5 | 103.3 | -100.1 | -16.3 | 0 | 0 | 0 | 113.6 | |||||
| 1586 | R | 26.7 | Very low | 29.9 | Very low | 238 Ų | 238 | 147.2 Ų | 147.2 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -106 | 151.6 | -174.8 | -63.8 | 170.8 | 169.8 | 165.7 | -7.5 | 112.2 | ||||
| 1587 | I | 32 | Very low | 29.8 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -138.3 | 159.8 | 150.1 | -64 | -171.8 | 0 | 0 | 0 | 108.3 | ||||
| 1588 | D | 30.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -82.5 | 157.9 | -158.8 | -59.5 | -80.4 | 0 | 0 | 0 | 117.8 | ||||
| 1589 | P | 30 | Very low | 29.5 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -92.2 | 97.2 | 176.7 | 35 | -31.4 | 0 | 0 | 0 | 112.4 | ||
| 1590 | N | 29.7 | Very low | 29.9 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -162.6 | 33.2 | 170.3 | -115.1 | -18.9 | 0 | 0 | 0 | 115.6 | ||||
| 1591 | Q | 30.6 | Very low | 30.6 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -134.4 | 153.4 | 175.9 | -69.2 | -172.6 | -12.2 | 0 | 0 | 112.3 | ||
| 1592 | N | 27.1 | Very low | 31.9 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | trans | -43.1 | 143 | -161.1 | -59.6 | 14.4 | 0 | 0 | 0 | 117.9 | D1594 | N1592-D1594 HydrophobicContact CB-CB 4.19Å; N1592-D1594 WeakPolarHBondContact CB-OD2 3.41Å; N1592-D1594 PolarHBondContact ND2-OD2 2.99Å; N1592-D1594 PolarHBondContact O-N 3.14Å; N1592-D1594 VanDerWaalsContact O-N 3.07Å | ||
| 1593 | P | 29.3 | Very low | 33.3 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 26.3 | 169 | 36.8 | -36.9 | 0 | 0 | 0 | 113.8 | ||
| 1594 | D | 27.5 | Very low | 35 | Very low | 121 Ų | 121 | 128 Ų | 128 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -0.2 | -174.8 | -61.9 | -44.9 | 0 | 0 | 0 | 113.7 | N1592 | N1592-D1594 HydrophobicContact CB-CB 4.19Å; N1592-D1594 WeakPolarHBondContact CB-OD2 3.41Å; N1592-D1594 PolarHBondContact ND2-OD2 2.99Å; N1592-D1594 PolarHBondContact O-N 3.14Å; N1592-D1594 VanDerWaalsContact O-N 3.07Å |
| 1595 | C | 27.6 | Very low | 37 | Very low | 110 Ų | 110 | 126 Ų | 126 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | -130.1 | 45.3 | -166.4 | -73.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1596 | I | 28 | Very low | 38.4 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 86% | 0.862 | 70% | 0.697 | S | S | * | * | trans | -127.5 | 35.1 | 170.7 | -36.4 | -178.2 | 0 | 0 | 0 | 111.4 | ||||
| 1597 | G | 28.6 | Very low | 40.3 | Very low | 75 Ų | 75 | 111.7 Ų | 111.7 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | trans | -102.6 | 1.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1598 | S | 26.7 | Very low | 42.2 | Very low | 114 Ų | 114 | 106.8 Ų | 106.8 | 80% | 0.797 | 63% | 0.632 | S | S | * | * | trans | -132.1 | 67.8 | -157.7 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1599 | A | 29.9 | Very low | 44.3 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 80% | 0.802 | 62% | 0.621 | S | S | * | * | trans | -155.9 | 26.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1601 | A1599-Q1601 VanDerWaalsContact C-N 3.33Å; A1599-Q1601 PolarHBondContact O-N 3.44Å | ||
| 1600 | I | 39.7 | Very low | 46.2 | Very low | 113 Ų | 113 | 100 Ų | 100 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | trans | -72.5 | 95.2 | 165.9 | -54.8 | 178.5 | 0 | 0 | 0 | 106.7 | ||||
| 1601 | Q | 48.2 | Very low | 48.4 | Very low | 168 Ų | 168 | 92.8 Ų | 92.8 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.4 | 168.3 | -90.2 | -175.2 | -38.3 | 0 | 0 | 108.7 | A1599 | A1599-Q1601 VanDerWaalsContact C-N 3.33Å; A1599-Q1601 PolarHBondContact O-N 3.44Å |
| 1602 | P | 54.2 | Low | 50.8 | Low | 97 Ų | 97 | 89.7 Ų | 89.7 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 155.6 | 163.5 | 29.8 | -34.1 | 0 | 0 | 0 | 108.8 | ||
| 1603 | P | 59.5 | Low | 53.2 | Low | 18 Ų | 18 | 88.6 Ų | 88.6 | 12% | 0.117 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 145.6 | 164.8 | 22.9 | -33.5 | 0 | 0 | 0 | 110.5 | V1607 L1608 | P1603-V1607 HydrophobicContact CB-CB 4.12Å; P1603-V1607 HydrophobicContact CB-CG1 3.5Å; P1603-L1608 HydrophobicContact CB-CD2 4.21Å; P1603-L1608 HydrophobicContact CB-CG 4.07Å; P1603-L1608 HydrophobicContact CG-CD1 4.16Å; P1603-L1608 HydrophobicContact CG-CD2 3.52Å; P1603-L1608 HydrophobicContact CG-CG 3.72Å |
| 1604 | S | 65.6 | Low | 55.5 | Low | 47 Ų | 47 | 83.1 Ų | 83.1 | 33% | 0.329 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 156.9 | 176.7 | 79 | 0 | 0 | 0 | 0 | 110.5 | D1606 V1607 L1608 | S1604-D1606 WeakPolarHBondContact CB-OD2 3.4Å; S1604-D1606 PolarHBondContact O-N 3.1Å; S1604-D1606 PolarHBondContact OG-N 3.03Å; S1604-D1606 PolarHBondContact OG-OD2 2.83Å; S1604-V1607 PolarHBondContact O-N 2.93Å; S1604-V1607 VanDerWaalsContact O-N 3.11Å; S1604-V1607 PolarHBondContact OG-N 3.41Å; S1604-V1607 VanDerWaalsContact OG-N 3.17Å; S1604-L1608 PolarHBondContact O-N 2.96Å |
| 1605 | P | 70.4 | Confident | 58 | Low | 90 Ų | 90 | 78.3 Ų | 78.3 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -52.5 | -37.3 | 174 | -26.7 | 36.2 | 0 | 0 | 0 | 112.1 | L1608 L1609 | P1605-L1608 PolarHBondContact O-N 2.92Å; P1605-L1609 WeakPolarHBondContact O-CB 3.5Å; P1605-L1609 VanDerWaalsContact O-CG 3.22Å; P1605-L1609 WeakPolarHBondContact O-CG 3.23Å; P1605-L1609 PolarHBondContact O-N 2.81Å |
| 1606 | D | 65.4 | Low | 60.5 | Low | 96 Ų | 96 | 75.7 Ų | 75.7 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 179.8 | -24.7 | -80.5 | 0 | 0 | 0 | 111.4 | S1604 L1608 L1609 A1610 | S1604-D1606 WeakPolarHBondContact CB-OD2 3.4Å; S1604-D1606 PolarHBondContact O-N 3.1Å; S1604-D1606 PolarHBondContact OG-N 3.03Å; S1604-D1606 PolarHBondContact OG-OD2 2.83Å; D1606-L1608 VanDerWaalsContact C-N 3.35Å; D1606-L1609 PolarHBondContact O-N 3.14Å; D1606-A1610 WeakPolarHBondContact O-CB 3.46Å; D1606-A1610 PolarHBondContact O-N 2.84Å |
| 1607 | V | 66.2 | Low | 62.9 | Low | 9 Ų | 9 | 71.7 Ų | 71.7 | 6% | 0.055 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 173 | 162.4 | 0 | 0 | 0 | 0 | 111.9 | L1480 A1483 Y1484 P1603 S1604 L1611 | L1480-V1607 HydrophobicContact CD2-CB 4.45Å; L1480-V1607 HydrophobicContact CD2-CG1 3.82Å; L1480-V1607 HydrophobicContact CD2-CG2 4.47Å; A1483-V1607 HydrophobicContact CB-CG2 3.8Å; Y1484-V1607 HydrophobicContact CE2-CG1 3.72Å; P1603-V1607 HydrophobicContact CB-CB 4.12Å; P1603-V1607 HydrophobicContact CB-CG1 3.5Å; S1604-V1607 PolarHBondContact O-N 2.93Å; S1604-V1607 VanDerWaalsContact O-N 3.11Å; S1604-V1607 PolarHBondContact OG-N 3.41Å; S1604-V1607 VanDerWaalsContact OG-N 3.17Å; V1607-L1611 WeakPolarHBondContact O-CB 3.21Å; V1607-L1611 PolarHBondContact O-N 3.42Å |
| 1608 | L | 70.9 | Confident | 65.1 | Low | 64 Ų | 64 | 68.4 Ų | 68.4 | 34% | 0.335 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 175.8 | -74.4 | 173.8 | 0 | 0 | 0 | 112 | V1441 P1603 S1604 P1605 D1606 L1611 F1612 | V1441-L1608 HydrophobicContact CB-CD2 4.47Å; V1441-L1608 HydrophobicContact CG1-CD2 3.93Å; V1441-L1608 HydrophobicContact CG2-CD2 3.98Å; P1603-L1608 HydrophobicContact CB-CD2 4.21Å; P1603-L1608 HydrophobicContact CB-CG 4.07Å; P1603-L1608 HydrophobicContact CG-CD1 4.16Å; P1603-L1608 HydrophobicContact CG-CD2 3.52Å; P1603-L1608 HydrophobicContact CG-CG 3.72Å; S1604-L1608 PolarHBondContact O-N 2.96Å; P1605-L1608 PolarHBondContact O-N 2.92Å; D1606-L1608 VanDerWaalsContact C-N 3.35Å; L1608-L1611 PolarHBondContact O-N 2.9Å; L1608-F1612 VanDerWaalsContact O-CB 3.25Å; L1608-F1612 WeakPolarHBondContact O-CB 3.27Å; L1608-F1612 PolarHBondContact O-N 3.09Å |
| 1609 | L | 75.1 | Confident | 67.4 | Low | 105 Ų | 105 | 66.2 Ų | 66.2 | 55% | 0.55 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 175.8 | -72.1 | 166 | 0 | 0 | 0 | 110.9 | P1605 D1606 L1611 F1612 D1613 | P1605-L1609 WeakPolarHBondContact O-CB 3.5Å; P1605-L1609 VanDerWaalsContact O-CG 3.22Å; P1605-L1609 WeakPolarHBondContact O-CG 3.23Å; P1605-L1609 PolarHBondContact O-N 2.81Å; D1606-L1609 PolarHBondContact O-N 3.14Å; L1609-L1611 VanDerWaalsContact C-N 3.34Å; L1609-L1611 PolarHBondContact O-N 2.88Å; L1609-F1612 PolarHBondContact O-N 3.44Å; L1609-D1613 WeakPolarHBondContact O-CB 3.47Å; L1609-D1613 PolarHBondContact O-N 3Å |
| 1610 | A | 70.8 | Confident | 69.3 | Low | 14 Ų | 14 | 64.9 Ų | 64.9 | 12% | 0.116 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1480 D1606 L1614 | L1480-A1610 HydrophobicContact CD1-CB 3.93Å; L1480-A1610 HydrophobicContact CG-CB 4.18Å; D1606-A1610 WeakPolarHBondContact O-CB 3.46Å; D1606-A1610 PolarHBondContact O-N 2.84Å; A1610-L1614 VanDerWaalsContact O-CB 3.24Å; A1610-L1614 WeakPolarHBondContact O-CB 3.44Å; A1610-L1614 PolarHBondContact O-N 3.27Å |
| 1611 | L | 75.5 | Confident | 70.5 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.047 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.8 | -167.8 | 79.5 | 0 | 0 | 0 | 111.6 | A1440 V1441 V1454 I1457 V1607 L1608 L1609 L1614 V1615 | A1440-L1611 HydrophobicContact CB-CD2 3.92Å; V1441-L1611 HydrophobicContact CG2-CD2 3.53Å; V1454-L1611 HydrophobicContact CG2-CD1 4.34Å; I1457-L1611 HydrophobicContact CD1-CD1 4.06Å; V1607-L1611 WeakPolarHBondContact O-CB 3.21Å; V1607-L1611 PolarHBondContact O-N 3.42Å; L1608-L1611 PolarHBondContact O-N 2.9Å; L1609-L1611 VanDerWaalsContact C-N 3.34Å; L1609-L1611 PolarHBondContact O-N 2.88Å; L1611-L1614 PolarHBondContact O-N 3.17Å; L1611-V1615 WeakPolarHBondContact O-CB 3.4Å; L1611-V1615 VanDerWaalsContact O-CG2 3.28Å; L1611-V1615 WeakPolarHBondContact O-CG2 3.36Å; L1611-V1615 PolarHBondContact O-N 3.33Å |
| 1612 | F | 80.2 | Confident | 71 | Confident | 127 Ų | 127 | 57.8 Ų | 57.8 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.6 | -47.7 | 179.8 | -175 | -111.3 | 0 | 0 | 0 | 111.5 | L1608 L1609 L1614 V1615 N1616 | L1608-F1612 VanDerWaalsContact O-CB 3.25Å; L1608-F1612 WeakPolarHBondContact O-CB 3.27Å; L1608-F1612 PolarHBondContact O-N 3.09Å; L1609-F1612 PolarHBondContact O-N 3.44Å; F1612-L1614 VanDerWaalsContact C-N 3.34Å; F1612-L1614 PolarHBondContact O-N 3.28Å; F1612-V1615 PolarHBondContact O-N 2.69Å; F1612-N1616 WeakPolarHBondContact CD1-ND2 3.5Å; F1612-N1616 WeakPolarHBondContact CE1-ND2 3.22Å; F1612-N1616 VanDerWaalsContact CZ-ND2 3.32Å; F1612-N1616 WeakPolarHBondContact CZ-ND2 3.38Å; F1612-N1616 VanDerWaalsContact O-CB 3.3Å; F1612-N1616 WeakPolarHBondContact O-CB 3.43Å; F1612-N1616 PolarHBondContact O-N 3.36Å; F1612-N1616 PolarHBondContact O-ND2 3.39Å; F1612-N1616 VanDerWaalsContact O-ND2 3.11Å |
| 1613 | D | 78.4 | Confident | 71.2 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 174.6 | -79.7 | -10.5 | 0 | 0 | 0 | 111.9 | L1609 N1616 K1617 | L1609-D1613 WeakPolarHBondContact O-CB 3.47Å; L1609-D1613 PolarHBondContact O-N 3Å; D1613-N1616 PolarHBondContact O-N 3.44Å; D1613-K1617 WeakPolarHBondContact O-CB 3.14Å; D1613-K1617 VanDerWaalsContact O-CG 3.31Å; D1613-K1617 WeakPolarHBondContact O-CG 3.14Å; D1613-K1617 PolarHBondContact O-N 3.2Å |
| 1614 | L | 77.4 | Confident | 70.6 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.6 | -167 | 65 | 0 | 0 | 0 | 111.8 | I1457 T1458 A1461 L1465 L1477 A1610 L1611 F1612 K1617 L1618 | I1457-L1614 HydrophobicContact CG2-CD2 3.94Å; I1457-L1614 HydrophobicContact CG2-CG 4.43Å; T1458-L1614 HydrophobicContact CG2-CD2 4.26Å; A1461-L1614 HydrophobicContact CB-CD1 3.67Å; A1461-L1614 HydrophobicContact CB-CD2 4.21Å; A1461-L1614 HydrophobicContact CB-CG 4.09Å; L1465-L1614 HydrophobicContact CD1-CD1 4.23Å; L1477-L1614 HydrophobicContact CD2-CD2 4.08Å; A1610-L1614 VanDerWaalsContact O-CB 3.24Å; A1610-L1614 WeakPolarHBondContact O-CB 3.44Å; A1610-L1614 PolarHBondContact O-N 3.27Å; L1611-L1614 PolarHBondContact O-N 3.17Å; F1612-L1614 VanDerWaalsContact C-N 3.34Å; F1612-L1614 PolarHBondContact O-N 3.28Å; L1614-K1617 PolarHBondContact O-N 3.12Å; L1614-L1618 WeakPolarHBondContact O-CG 3.19Å; L1614-L1618 PolarHBondContact O-N 3.37Å |
| 1615 | V | 79.9 | Confident | 69.6 | Low | 20 Ų | 20 | 67.4 Ų | 67.4 | 12% | 0.121 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66 | -38.7 | 175.9 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | A1437 I1457 L1611 F1612 L1618 L1619 | A1437-V1615 HydrophobicContact CB-CG2 4.13Å; I1457-V1615 HydrophobicContact CG2-CG2 4.44Å; L1611-V1615 WeakPolarHBondContact O-CB 3.4Å; L1611-V1615 VanDerWaalsContact O-CG2 3.28Å; L1611-V1615 WeakPolarHBondContact O-CG2 3.36Å; L1611-V1615 PolarHBondContact O-N 3.33Å; F1612-V1615 PolarHBondContact O-N 2.69Å; V1615-L1618 PolarHBondContact O-N 2.84Å; V1615-L1619 HydrophobicContact CG1-CD1 3.7Å; V1615-L1619 PolarHBondContact O-N 3.14Å |
| 1616 | N | 80.4 | Confident | 68 | Low | 56 Ų | 56 | 70.1 Ų | 70.1 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 176.2 | -74.7 | -32.4 | 0 | 0 | 0 | 112.3 | F1612 D1613 L1618 L1619 V1620 | F1612-N1616 WeakPolarHBondContact CD1-ND2 3.5Å; F1612-N1616 WeakPolarHBondContact CE1-ND2 3.22Å; F1612-N1616 VanDerWaalsContact CZ-ND2 3.32Å; F1612-N1616 WeakPolarHBondContact CZ-ND2 3.38Å; F1612-N1616 VanDerWaalsContact O-CB 3.3Å; F1612-N1616 WeakPolarHBondContact O-CB 3.43Å; F1612-N1616 PolarHBondContact O-N 3.36Å; F1612-N1616 PolarHBondContact O-ND2 3.39Å; F1612-N1616 VanDerWaalsContact O-ND2 3.11Å; D1613-N1616 PolarHBondContact O-N 3.44Å; N1616-L1618 PolarHBondContact O-N 2.9Å; N1616-L1619 PolarHBondContact O-N 3.08Å; N1616-V1620 WeakPolarHBondContact O-CB 3.46Å; N1616-V1620 VanDerWaalsContact O-CG2 3.23Å; N1616-V1620 WeakPolarHBondContact O-CG2 3.45Å; N1616-V1620 PolarHBondContact O-N 3Å |
| 1617 | K | 77.5 | Confident | 66.3 | Low | 84 Ų | 84 | 72 Ų | 72 | 37% | 0.365 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.6 | -32.9 | 171.7 | -75.2 | -178.9 | -173.7 | -170.7 | 0 | 111.6 | L1465 S1473 D1613 L1614 P1621 | L1465-K1617 HydrophobicContact CD1-CB 4.36Å; L1465-K1617 HydrophobicContact CD1-CD 4.34Å; L1465-K1617 HydrophobicContact CD2-CB 4.38Å; S1473-K1617 PolarHBondContact OG-NZ 3.28Å; D1613-K1617 WeakPolarHBondContact O-CB 3.14Å; D1613-K1617 VanDerWaalsContact O-CG 3.31Å; D1613-K1617 WeakPolarHBondContact O-CG 3.14Å; D1613-K1617 PolarHBondContact O-N 3.2Å; L1614-K1617 PolarHBondContact O-N 3.12Å; K1617-P1621 WeakPolarHBondContact O-CD 3.48Å |
| 1618 | L | 74.8 | Confident | 64.6 | Low | 5 Ų | 5 | 83 Ų | 83 | 3% | 0.026 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -80.6 | -37 | 175.9 | -68 | -177.4 | 0 | 0 | 0 | 114.5 | L1433 A1461 F1464 L1465 L1614 V1615 N1616 Y1622 | L1433-L1618 HydrophobicContact CD1-CD1 4.35Å; L1433-L1618 HydrophobicContact CD2-CB 3.87Å; L1433-L1618 HydrophobicContact CD2-CD1 4.09Å; A1461-L1618 HydrophobicContact CB-CD1 4.45Å; F1464-L1618 HydrophobicContact CB-CD2 3.61Å; F1464-L1618 HydrophobicContact CD2-CD2 3.83Å; F1464-L1618 HydrophobicContact CG-CD2 4.25Å; L1465-L1618 HydrophobicContact CG-CD2 4.39Å; L1614-L1618 WeakPolarHBondContact O-CG 3.19Å; L1614-L1618 PolarHBondContact O-N 3.37Å; V1615-L1618 PolarHBondContact O-N 2.84Å; N1616-L1618 PolarHBondContact O-N 2.9Å; L1618-Y1622 WeakPolarHBondContact O-CD2 3.45Å |
| 1619 | L | 75.4 | Confident | 62.6 | Low | 69 Ų | 69 | 87.7 Ų | 87.7 | 36% | 0.361 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -82.5 | -41.1 | -178.4 | -104.1 | 102.3 | 0 | 0 | 0 | 114.2 | I1429 L1433 V1615 N1616 P1621 Y1622 A1623 | I1429-L1619 HydrophobicContact CG2-CG 4.49Å; L1433-L1619 HydrophobicContact CD2-CD1 3.8Å; V1615-L1619 HydrophobicContact CG1-CD1 3.7Å; V1615-L1619 PolarHBondContact O-N 3.14Å; N1616-L1619 PolarHBondContact O-N 3.08Å; L1619-P1621 VanDerWaalsContact C-CD 3.43Å; L1619-Y1622 PolarHBondContact O-N 3.19Å; L1619-A1623 PolarHBondContact O-N 3.12Å |
| 1620 | V | 69.2 | Low | 60.5 | Low | 68 Ų | 68 | 88.4 Ų | 88.4 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55 | -38.9 | -171.2 | 167.2 | 0 | 0 | 0 | 0 | 114.2 | N1616 Y1622 A1623 K1624 | N1616-V1620 WeakPolarHBondContact O-CB 3.46Å; N1616-V1620 VanDerWaalsContact O-CG2 3.23Å; N1616-V1620 WeakPolarHBondContact O-CG2 3.45Å; N1616-V1620 PolarHBondContact O-N 3Å; V1620-Y1622 PolarHBondContact O-N 3.32Å; V1620-A1623 PolarHBondContact O-N 3.24Å; V1620-K1624 HydrophobicContact CG1-CD 4.44Å; V1620-K1624 PolarHBondContact O-N 3.45Å |
| 1621 | P | 64.6 | Low | 58.4 | Low | 71 Ų | 71 | 94.2 Ų | 94.2 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -30.1 | 174.8 | -25.1 | 35.5 | 0 | 0 | 0 | 113.9 | K1617 L1619 | K1617-P1621 WeakPolarHBondContact O-CD 3.48Å; L1619-P1621 VanDerWaalsContact C-CD 3.43Å |
| 1622 | Y | 60.4 | Low | 56.2 | Low | 61 Ų | 61 | 102.2 Ų | 102.2 | 24% | 0.239 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -92.7 | -30.2 | -178.2 | -64.9 | -82.5 | 0 | 0 | 0 | 112.3 | K1425 I1429 L1618 L1619 V1620 K1624 | K1425-Y1622 VanDerWaalsContact CD-OH 3.27Å; K1425-Y1622 WeakPolarHBondContact CD-OH 3.4Å; K1425-Y1622 WeakPolarHBondContact CE-OH 3.39Å; I1429-Y1622 HydrophobicContact CD1-CD2 3.73Å; I1429-Y1622 HydrophobicContact CD1-CE2 3.43Å; I1429-Y1622 VanDerWaalsContact CD1-CE2 3.43Å; I1429-Y1622 HydrophobicContact CG2-CD2 4.15Å; I1429-Y1622 HydrophobicContact CG2-CG 4.46Å; L1618-Y1622 WeakPolarHBondContact O-CD2 3.45Å; L1619-Y1622 PolarHBondContact O-N 3.19Å; V1620-Y1622 PolarHBondContact O-N 3.32Å; Y1622-K1624 VanDerWaalsContact C-N 3.34Å; Y1622-K1624 PolarHBondContact O-N 2.66Å |
| 1623 | A | 57 | Low | 53.8 | Low | 52 Ų | 52 | 104.4 Ų | 104.4 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -42 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1619 V1620 Q1625 N1626 | L1619-A1623 PolarHBondContact O-N 3.12Å; V1620-A1623 PolarHBondContact O-N 3.24Å; A1623-Q1625 VanDerWaalsContact C-N 3.32Å; A1623-Q1625 PolarHBondContact O-N 3.12Å; A1623-N1626 PolarHBondContact O-N 2.7Å |
| 1624 | K | 47.7 | Very low | 51.5 | Low | 156 Ų | 156 | 110.7 Ų | 110.7 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -70.3 | -19.5 | -176.8 | -74.7 | -174.1 | 175 | -178.1 | 0 | 115 | V1620 Y1622 N1626 | V1620-K1624 HydrophobicContact CG1-CD 4.44Å; V1620-K1624 PolarHBondContact O-N 3.45Å; Y1622-K1624 VanDerWaalsContact C-N 3.34Å; Y1622-K1624 PolarHBondContact O-N 2.66Å; K1624-N1626 VanDerWaalsContact C-N 3.3Å; K1624-N1626 PolarHBondContact O-N 3.49Å |
| 1625 | Q | 44.6 | Very low | 49.1 | Very low | 157 Ų | 157 | 119.1 Ų | 119.1 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -78.4 | -11.2 | 179.1 | -72.4 | -169.9 | -32.1 | 0 | 0 | 114.1 | A1623 | A1623-Q1625 VanDerWaalsContact C-N 3.32Å; A1623-Q1625 PolarHBondContact O-N 3.12Å |
| 1626 | N | 35.9 | Very low | 46.6 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 79% | 0.786 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -103 | 7.3 | 177 | -72.9 | -24.3 | 0 | 0 | 0 | 114 | A1623 K1624 | A1623-N1626 PolarHBondContact O-N 2.7Å; K1624-N1626 VanDerWaalsContact C-N 3.3Å; K1624-N1626 PolarHBondContact O-N 3.49Å |
| 1627 | L | 30.7 | Very low | 44.2 | Very low | 136 Ų | 136 | 135 Ų | 135 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | trans | -118.7 | 80.3 | -174.8 | -84.8 | 159.7 | 0 | 0 | 0 | 111.9 | ||||
| 1628 | Y | 29.7 | Very low | 42 | Very low | 239 Ų | 239 | 136.9 Ų | 136.9 | 94% | 0.937 | 67% | 0.666 | S | S | * | * | trans | -131.9 | 67.8 | 168.9 | -117.8 | -79 | 0 | 0 | 0 | 110.1 | ||||
| 1629 | L | 30 | Very low | 39.8 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | trans | -129 | 144.9 | 167.6 | -85.8 | 166 | 0 | 0 | 0 | 108.6 | ||||
| 1630 | P | 30.9 | Very low | 37.6 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -75.5 | 151 | -165.7 | 29.8 | -35.6 | 0 | 0 | 0 | 113.4 | E1632 | P1630-E1632 PolarHBondContact O-N 3.43Š| ||
| 1631 | T | 26.9 | Very low | 35.6 | Very low | 136 Ų | 136 | 155 Ų | 155 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -65.9 | 113.4 | 173.6 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1632 | E | 27.9 | Very low | 34.1 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -176.3 | 147.1 | 131.6 | -103 | 172 | -150.6 | 0 | 0 | 110 | P1630 | P1630-E1632 PolarHBondContact O-N 3.43Š| ||
| 1633 | Q | 29.4 | Very low | 32.8 | Very low | 172 Ų | 172 | 164.3 Ų | 164.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 73.7 | 147.2 | -174.5 | -47.3 | 179 | 9.2 | 0 | 0 | 115.3 | ||
| 1634 | Y | 30.6 | Very low | 31.4 | Very low | 226 Ų | 226 | 170.6 Ų | 170.6 | 89% | 0.886 | 82% | 0.824 | S | S | * | * | trans | 68.6 | 52.4 | -177.7 | -61.2 | -79.4 | 0 | 0 | 0 | 117.8 | ||||
| 1635 | E | 27.4 | Very low | 30.5 | Very low | 186 Ų | 186 | 171.4 Ų | 171.4 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | trans | -77.1 | 171.3 | 139 | -67.2 | -173.1 | 129.5 | 0 | 0 | 110.3 | ||||
| 1636 | E | 28.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 172.3 Ų | 172.3 | 84% | 0.841 | 84% | 0.839 | S | S | * | * | S | Bend | trans | 63.3 | 61.7 | 177.3 | -58.9 | -163.5 | 160.7 | 0 | 0 | 118.5 | ||
| 1637 | R | 28.9 | Very low | 29.2 | Very low | 230 Ų | 230 | 174 Ų | 174 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -173.6 | 155.4 | 138.3 | -99.2 | 145.9 | -138.4 | -144.8 | 2.4 | 112.2 | ||
| 1638 | N | 32.3 | Very low | 29.1 | Very low | 123 Ų | 123 | 176.7 Ų | 176.7 | 66% | 0.658 | 85% | 0.851 | S | S | * | * | trans | 64.1 | 54.3 | 168.9 | -57.5 | 19.4 | 0 | 0 | 0 | 116.9 | ||||
| 1639 | I | 28.4 | Very low | 29 | Very low | 175 Ų | 175 | 171.9 Ų | 171.9 | 90% | 0.897 | 85% | 0.845 | S | S | * | * | trans | -115 | 55.8 | 157.8 | -48.4 | -179.5 | 0 | 0 | 0 | 107.9 | ||||
| 1640 | S | 28.3 | Very low | 28.9 | Very low | 106 Ų | 106 | 172.7 Ų | 172.7 | 74% | 0.741 | 84% | 0.844 | S | S | * | * | trans | -159.5 | 17.1 | -172.2 | 66 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1641 | E | 27.8 | Very low | 28.7 | Very low | 241 Ų | 241 | 177.5 Ų | 177.5 | 100% | 1.126 | 85% | 0.851 | S | S | * | * | trans | -132.5 | 0 | 170.5 | -70.1 | -172 | 143.5 | 0 | 0 | 108.5 |
Retrieved 1,641 of 1,641 residues in 2160.8 ms
(Link to these results)