| 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 | 54.1 | Low | 91.3 | Very high | 225 Ų | 225 | 78.8 Ų | 78.8 | 100% | 1.108 | 44% | 0.438 | S | S | * | . | 0 | 139.2 | 0 | -78.1 | -173.4 | -89.1 | 0 | 0 | 107.6 | |||||
| 2 | A | 81.1 | Confident | 91.9 | Very high | 93 Ų | 93 | 73.2 Ų | 73.2 | 77% | 0.769 | 41% | 0.407 | S | S | * | . | trans | -60.6 | 144.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | S | 91.3 | Very high | 92.4 | Very high | 64 Ų | 64 | 82.6 Ų | 82.6 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | trans | -62.8 | 135.1 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 110 | W5 V6 | S3-W5 PolarHBondContact O-N 3.2Å; S3-W5 PolarHBondContact OG-N 2.93Å; S3-V6 PolarHBondContact O-N 2.85Å | ||
| 4 | I | 96.1 | Very high | 92.8 | Very high | 29 Ų | 29 | 84.4 Ų | 84.4 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -7.1 | 173.6 | 65.2 | 170.1 | 0 | 0 | 0 | 112.9 | R123 Q124 E127 | I4-R123 HydrophobicContact CD1-CB 3.82Å; I4-R123 WeakPolarHBondContact CD1-O 3.21Å; I4-R123 HydrophobicContact CG2-CB 4.29Å; I4-Q124 HydrophobicContact CD1-CG 4.1Å; I4-Q124 HydrophobicContact CG1-CG 4.3Å; I4-Q124 PolarHBondContact O-NE2 3.08Å; I4-E127 VanDerWaalsContact CD1-CD 3.41Å; I4-E127 HydrophobicContact CD1-CG 3.97Å; I4-E127 WeakPolarHBondContact CD1-OE1 3.44Å |
| 5 | W | 98.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 84.2 Ų | 84.2 | 10% | 0.095 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 2.4 | 179.7 | -63.6 | 102.8 | 0 | 0 | 0 | 113.1 | S3 P91 A92 D95 Q124 E127 I128 I282 | S3-W5 PolarHBondContact O-N 3.2Å; S3-W5 PolarHBondContact OG-N 2.93Å; W5-P91 HydrophobicContact CB-CB 4.06Å; W5-P91 HydrophobicContact CB-CG 3.97Å; W5-P91 HydrophobicContact CD2-CB 3.44Å; W5-P91 VanDerWaalsContact CD2-CB 3.44Å; W5-P91 HydrophobicContact CD2-CG 4.28Å; W5-P91 HydrophobicContact CE3-CB 3.42Å; W5-P91 VanDerWaalsContact CE3-CB 3.42Å; W5-P91 HydrophobicContact CG-CB 3.73Å; W5-P91 HydrophobicContact CG-CG 4.03Å; W5-P91 HydrophobicContact CZ3-CB 3.99Å; W5-A92 HydrophobicContact CH2-CB 4.34Å; W5-A92 HydrophobicContact CZ2-CB 3.61Å; W5-D95 WeakPolarHBondContact CZ3-OD2 3.45Å; W5-Q124 HydrophobicContact CD2-CG 4.11Å; W5-Q124 HydrophobicContact CE3-CG 4.03Å; W5-Q124 HydrophobicContact CH2-CB 3.79Å; W5-Q124 HydrophobicContact CH2-CG 3.96Å; W5-Q124 HydrophobicContact CZ2-CB 3.94Å; W5-Q124 HydrophobicContact CZ2-CG 4.01Å; W5-Q124 HydrophobicContact CZ3-CB 4.21Å; W5-Q124 HydrophobicContact CZ3-CG 3.97Å; W5-E127 HydrophobicContact CZ2-CB 4.18Å; W5-E127 PolarHBondContact NE1-OE2 2.88Å; W5-I128 HydrophobicContact CH2-CD1 3.82Å; W5-I128 HydrophobicContact CH2-CG1 3.7Å; W5-I128 HydrophobicContact CZ2-CG1 4.13Å; W5-I282 WeakPolarHBondContact O-CG1 3.35Å |
| 6 | V | 97.7 | Very high | 93.4 | Very high | 77 Ų | 77 | 86.4 Ų | 86.4 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | trans | -122.2 | 123.6 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | S3 E281 | S3-V6 PolarHBondContact O-N 2.85Å; V6-E281 CarbonylContact C-O 3.35Å; V6-E281 WeakPolarHBondContact CA-O 3.41Å | ||
| 7 | G | 96.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 89.2 Ų | 89.2 | 27% | 0.268 | 47% | 0.471 | S | S | . | . | trans | -102.6 | -173.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E281 | G7-E281 PolarHBondContact N-O 3Š| ||
| 8 | H | 94.8 | Very high | 93.8 | Very high | 192 Ų | 192 | 86.7 Ų | 86.7 | 89% | 0.889 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -93.6 | -5.3 | -178.5 | -60.6 | -56.6 | 0 | 0 | 0 | 113.6 | ||
| 9 | R | 98.2 | Very high | 94 | Very high | 102 Ų | 102 | 84.3 Ų | 84.3 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -129 | 27 | -166.3 | -58.3 | -66 | -65 | 158.2 | 2.9 | 111.7 | I282 D283 L284 L285 D286 | R9-I282 CarbonylContact C-O 3.56Å; R9-I282 WeakPolarHBondContact CA-O 3.48Å; R9-I282 PolarHBondContact N-O 3.11Å; R9-D283 CarbonylContact O-C 3.5Å; R9-D283 VanDerWaalsContact O-C 3.31Å; R9-D283 WeakPolarHBondContact O-CA 3.23Å; R9-L284 PolarHBondContact O-N 2.7Å; R9-L285 VanDerWaalsContact O-CB 3.26Å; R9-L285 WeakPolarHBondContact O-CB 3.18Å; R9-L285 WeakPolarHBondContact O-CG 3.48Å; R9-L285 PolarHBondContact O-N 3.09Å; R9-D286 WeakPolarHBondContact CB-OD2 3.35Å; R9-D286 VanDerWaalsContact CG-OD2 3.3Å; R9-D286 WeakPolarHBondContact CG-OD2 3.44Å; R9-D286 IonicContact CZ-OD1 2.65Å; R9-D286 VanDerWaalsContact CZ-OD1 3.28Å; R9-D286 IonicContact NE-OD1 3.99Å; R9-D286 PolarHBondContact NE-OD1 3.37Å; R9-D286 IonicContact NE-OD2 3.9Å; R9-D286 IonicContact NH2-OD1 3.32Å; R9-D286 PolarHBondContact NH2-OD1 2.89Å |
| 10 | G | 98.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 81.9 Ų | 81.9 | 9% | 0.093 | 44% | 0.436 | C | S | . | . | trans | -74.6 | 152.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | S280 I282 L285 | G10-S280 CarbonylContact C-O 3.56Å; G10-S280 WeakPolarHBondContact CA-O 3.14Å; G10-I282 PolarHBondContact N-O 3.46Å; G10-L285 WeakPolarHBondContact O-CD1 3.4Å | ||
| 11 | T | 98.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 80.7 Ų | 80.7 | 15% | 0.153 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -86.6 | -31.5 | 172.6 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | S280 L284 L285 I318 C319 | T11-S280 PolarHBondContact N-O 2.96Å; T11-S280 PolarHBondContact OG1-O 3.02Å; T11-L284 HydrophobicContact CG2-CB 3.96Å; T11-L284 HydrophobicContact CG2-CD2 4.19Å; T11-L284 HydrophobicContact CG2-CG 4.02Å; T11-L285 HydrophobicContact CG2-CD2 3.74Å; T11-L285 HydrophobicContact CG2-CG 3.91Å; T11-I318 VanDerWaalsContact CB-O 3.31Å; T11-I318 WeakPolarHBondContact CB-O 3.37Å; T11-I318 PolarHBondContact OG1-O 3.4Å; T11-C319 VanDerWaalsContact CG2-O 3.3Å; T11-C319 WeakPolarHBondContact CG2-O 3.35Å |
| 12 | I | 98.5 | Very high | 96.6 | Very high | 11 Ų | 11 | 74.1 Ų | 74.1 | 6% | 0.056 | 41% | 0.407 | C | S | . | . | trans | -93.8 | 137.8 | 173.1 | -59.9 | -178.8 | 0 | 0 | 0 | 109.1 | R48 S280 E281 I318 | I12-R48 WeakPolarHBondContact CG2-O 3.44Å; I12-S280 PolarHBondContact N-O 3.24Å; I12-E281 HydrophobicContact CB-CG 3.95Å; I12-E281 HydrophobicContact CG2-CG 4.21Å; I12-I318 HydrophobicContact CD1-CG1 4.23Å; I12-I318 HydrophobicContact CD1-CG2 4.26Å | ||
| 13 | R | 97.8 | Very high | 97.4 | Very high | 196 Ų | 196 | 70.1 Ų | 70.1 | 74% | 0.74 | 37% | 0.372 | S | S | * | . | trans | -137.8 | 169.5 | 180 | -69.6 | 175.7 | -74.9 | 176.3 | -1.8 | 109.7 | Y15 | R13-Y15 PolarHBondContact O-N 2.72Š| ||
| 14 | D | 98.3 | Very high | 97.8 | Very high | 108 Ų | 108 | 67.1 Ų | 67.1 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | trans | -57.7 | 130.6 | 172.6 | -72.1 | -16.2 | 0 | 0 | 0 | 110.4 | P16 S49 | D14-P16 WeakPolarHBondContact O-CD 3.47Å; D14-S49 WeakPolarHBondContact OD1-CB 3.4Å; D14-S49 PolarHBondContact OD1-OG 2.9Å | ||
| 15 | Y | 98.2 | Very high | 97.9 | Very high | 81 Ų | 81 | 71.8 Ų | 71.8 | 32% | 0.318 | 37% | 0.372 | S | S | . | . | trans | -76.5 | 121.8 | 171 | -173.7 | -102.7 | 0 | 0 | 0 | 109.8 | R13 D17 F18 E47 R48 Q52 | R13-Y15 PolarHBondContact O-N 2.72Å; Y15-D17 HydrophobicContact CD1-CB 4.41Å; Y15-D17 HydrophobicContact CE1-CB 3.74Å; Y15-D17 WeakPolarHBondContact CE1-O 3.42Å; Y15-D17 PolarHBondContact O-N 3.13Å; Y15-F18 HydrophobicContact CD1-CB 4.21Å; Y15-F18 VanDerWaalsContact O-CB 3.29Å; Y15-F18 WeakPolarHBondContact O-CB 3.33Å; Y15-F18 PolarHBondContact O-N 3.28Å; Y15-E47 WeakPolarHBondContact CB-O 3.3Å; Y15-R48 VanDerWaalsContact CD2-NH1 3.32Å; Y15-Q52 VanDerWaalsContact N-NE2 3.19Å; Y15-Q52 PolarHBondContact O-NE2 3.43Å | ||
| 16 | P | 96.6 | Very high | 97.9 | Very high | 119 Ų | 119 | 71.9 Ų | 71.9 | 77% | 0.773 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -43.6 | -173.1 | -27.2 | 36 | 0 | 0 | 0 | 114.4 | D14 F18 | D14-P16 WeakPolarHBondContact O-CD 3.47Å; P16-F18 PolarHBondContact O-N 3.43Å |
| 17 | D | 95.9 | Very high | 98 | Very high | 135 Ų | 135 | 68.2 Ų | 68.2 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 39.4 | -175.3 | -60.7 | -43.9 | 0 | 0 | 0 | 112.2 | Y15 | Y15-D17 HydrophobicContact CD1-CB 4.41Å; Y15-D17 HydrophobicContact CE1-CB 3.74Å; Y15-D17 WeakPolarHBondContact CE1-O 3.42Å; Y15-D17 PolarHBondContact O-N 3.13Å |
| 18 | F | 98.5 | Very high | 98 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | trans | -74.3 | 129.1 | -172.8 | 171.8 | -118.7 | 0 | 0 | 0 | 112.7 | Y15 P16 P20 D23 Q52 L55 I56 | Y15-F18 HydrophobicContact CD1-CB 4.21Å; Y15-F18 VanDerWaalsContact O-CB 3.29Å; Y15-F18 WeakPolarHBondContact O-CB 3.33Å; Y15-F18 PolarHBondContact O-N 3.28Å; P16-F18 PolarHBondContact O-N 3.43Å; F18-P20 HydrophobicContact CD1-CG 4.41Å; F18-P20 HydrophobicContact CE1-CB 4.43Å; F18-P20 HydrophobicContact CE1-CG 3.55Å; F18-P20 HydrophobicContact CE2-CG 4.38Å; F18-P20 HydrophobicContact CZ-CB 3.91Å; F18-P20 HydrophobicContact CZ-CG 3.53Å; F18-D23 VanDerWaalsContact CD2-OD2 3.28Å; F18-D23 WeakPolarHBondContact CD2-OD2 3.27Å; F18-D23 VanDerWaalsContact CE2-OD2 3.22Å; F18-D23 WeakPolarHBondContact CE2-OD2 3.5Å; F18-Q52 VanDerWaalsContact CB-NE2 3.28Å; F18-Q52 HydrophobicContact CD1-CB 4.11Å; F18-Q52 HydrophobicContact CD1-CG 3.66Å; F18-Q52 HydrophobicContact CD2-CB 4.22Å; F18-Q52 HydrophobicContact CD2-CG 4.38Å; F18-Q52 HydrophobicContact CE1-CB 3.87Å; F18-Q52 HydrophobicContact CE1-CG 3.83Å; F18-Q52 HydrophobicContact CE2-CB 4Å; F18-Q52 HydrophobicContact CG-CB 4.27Å; F18-Q52 HydrophobicContact CG-CG 3.94Å; F18-Q52 HydrophobicContact CZ-CB 3.81Å; F18-Q52 HydrophobicContact CZ-CG 4.28Å; F18-Q52 WeakPolarHBondContact CZ-O 3.31Å; F18-L55 HydrophobicContact CE1-CB 3.97Å; F18-L55 HydrophobicContact CE1-CD1 3.74Å; F18-L55 HydrophobicContact CE1-CG 4.49Å; F18-L55 HydrophobicContact CZ-CB 3.93Å; F18-I56 HydrophobicContact CE2-CD1 3.89Å; F18-I56 HydrophobicContact CE2-CG1 3.64Å; F18-I56 HydrophobicContact CZ-CD1 4.48Å; F18-I56 HydrophobicContact CZ-CG1 3.85Å | ||
| 19 | S | 98.5 | Very high | 98.2 | Very high | 41 Ų | 41 | 68.7 Ų | 68.7 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | trans | -131.4 | 110.8 | 170.5 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | S21 V22 D23 | S19-S21 VanDerWaalsContact C-N 3.25Å; S19-S21 PolarHBondContact O-N 3.35Å; S19-S21 PolarHBondContact OG-OG 3.1Å; S19-V22 PolarHBondContact O-N 2.78Å; S19-V22 WeakPolarHBondContact OG-CG2 3.36Å; S19-D23 PolarHBondContact O-N 2.95Å; S19-D23 VanDerWaalsContact O-N 3.1Å | ||
| 20 | P | 98.4 | Very high | 98.1 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.4 | -38.2 | -178.9 | -21 | 25.9 | 0 | 0 | 0 | 113.5 | F18 A24 L55 E59 | F18-P20 HydrophobicContact CD1-CG 4.41Å; F18-P20 HydrophobicContact CE1-CB 4.43Å; F18-P20 HydrophobicContact CE1-CG 3.55Å; F18-P20 HydrophobicContact CE2-CG 4.38Å; F18-P20 HydrophobicContact CZ-CB 3.91Å; F18-P20 HydrophobicContact CZ-CG 3.53Å; P20-A24 WeakPolarHBondContact O-CB 3.43Å; P20-A24 PolarHBondContact O-N 3.21Å; P20-L55 HydrophobicContact CB-CB 4.36Å; P20-L55 HydrophobicContact CG-CB 4.07Å; P20-E59 HydrophobicContact CB-CB 3.97Å; P20-E59 HydrophobicContact CB-CG 4.22Å |
| 21 | S | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 64 Ų | 64 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.8 | -41.2 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | S19 A24 E25 | S19-S21 VanDerWaalsContact C-N 3.25Å; S19-S21 PolarHBondContact O-N 3.35Å; S19-S21 PolarHBondContact OG-OG 3.1Å; S21-A24 PolarHBondContact O-N 3.43Å; S21-E25 WeakPolarHBondContact O-CB 3.4Å; S21-E25 PolarHBondContact O-N 2.76Å |
| 22 | V | 98.7 | Very high | 97.6 | Very high | 87 Ų | 87 | 71.8 Ų | 71.8 | 53% | 0.527 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | S19 E25 A26 | S19-V22 PolarHBondContact O-N 2.78Å; S19-V22 WeakPolarHBondContact OG-CG2 3.36Å; V22-E25 PolarHBondContact O-N 3.3Å; V22-A26 WeakPolarHBondContact O-CB 3.17Å; V22-A26 PolarHBondContact O-N 3.04Å |
| 23 | D | 98.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.043 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 179.2 | -73.8 | -19.3 | 0 | 0 | 0 | 111.6 | F18 S19 E25 A26 I27 I44 R48 I56 | F18-D23 VanDerWaalsContact CD2-OD2 3.28Å; F18-D23 WeakPolarHBondContact CD2-OD2 3.27Å; F18-D23 VanDerWaalsContact CE2-OD2 3.22Å; F18-D23 WeakPolarHBondContact CE2-OD2 3.5Å; S19-D23 PolarHBondContact O-N 2.95Å; S19-D23 VanDerWaalsContact O-N 3.1Å; D23-E25 PolarHBondContact O-N 3.09Å; D23-A26 PolarHBondContact O-N 3.47Å; D23-I27 WeakPolarHBondContact O-CB 3.45Å; D23-I27 WeakPolarHBondContact O-CD1 3.32Å; D23-I27 VanDerWaalsContact O-CG1 3.24Å; D23-I27 WeakPolarHBondContact O-CG1 3.32Å; D23-I27 PolarHBondContact O-N 3.35Å; D23-I44 HydrophobicContact CB-CG2 3.96Å; D23-R48 IonicContact OD1-CZ 2.75Å; D23-R48 IonicContact OD1-NE 2.82Å; D23-R48 IonicContact OD1-NH2 3.42Å; D23-R48 PolarHBondContact OD1-NH2 3.3Å; D23-R48 IonicContact OD2-CZ 3.67Å; D23-R48 IonicContact OD2-NE 3.21Å; D23-R48 PolarHBondContact OD2-NE 2.79Å; D23-R48 IonicContact OD2-NH2 3.75Å; D23-R48 PolarHBondContact OD2-NH2 3Å; D23-I56 HydrophobicContact CB-CD1 3.69Å; D23-I56 HydrophobicContact CB-CG1 3.87Å; D23-I56 HydrophobicContact CB-CG2 4.49Å |
| 24 | A | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P20 S21 R28 I56 E59 Y60 | P20-A24 WeakPolarHBondContact O-CB 3.43Å; P20-A24 PolarHBondContact O-N 3.21Å; S21-A24 PolarHBondContact O-N 3.43Å; A24-R28 WeakPolarHBondContact O-CB 3.1Å; A24-R28 PolarHBondContact O-N 3.06Å; A24-I56 HydrophobicContact CB-CG2 4.4Å; A24-E59 HydrophobicContact CB-CB 4.25Å; A24-E59 HydrophobicContact CB-CG 4.03Å; A24-Y60 HydrophobicContact CB-CD2 4.24Å |
| 25 | E | 98.5 | Very high | 96.2 | Very high | 127 Ų | 127 | 71 Ų | 71 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66 | -45 | 175.4 | -175.4 | 179.1 | -177.5 | 0 | 0 | 112.3 | S21 V22 D23 I27 R28 K29 Y64 | S21-E25 WeakPolarHBondContact O-CB 3.4Å; S21-E25 PolarHBondContact O-N 2.76Å; V22-E25 PolarHBondContact O-N 3.3Å; D23-E25 PolarHBondContact O-N 3.09Å; E25-I27 PolarHBondContact O-N 2.99Å; E25-R28 PolarHBondContact O-N 3.07Å; E25-K29 WeakPolarHBondContact O-CB 3.36Å; E25-K29 PolarHBondContact O-N 3.02Å; E25-Y64 VanDerWaalsContact CA-OH 3.27Å; E25-Y64 WeakPolarHBondContact CA-OH 3.09Å |
| 26 | A | 98.6 | Very high | 96.1 | Very high | 28 Ų | 28 | 68.5 Ų | 68.5 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V22 D23 K29 A30 M40 I44 | V22-A26 WeakPolarHBondContact O-CB 3.17Å; V22-A26 PolarHBondContact O-N 3.04Å; D23-A26 PolarHBondContact O-N 3.47Å; A26-K29 PolarHBondContact O-N 3.4Å; A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 3.45Å; A26-M40 HydrophobicContact CB-SD 4.38Å; A26-I44 HydrophobicContact CB-CD1 3.6Å |
| 27 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 173.8 | -71.2 | 166 | 0 | 0 | 0 | 110.7 | D23 E25 K29 A30 I31 L41 I44 L45 I56 Y60 L68 | D23-I27 WeakPolarHBondContact O-CB 3.45Å; D23-I27 WeakPolarHBondContact O-CD1 3.32Å; D23-I27 VanDerWaalsContact O-CG1 3.24Å; D23-I27 WeakPolarHBondContact O-CG1 3.32Å; D23-I27 PolarHBondContact O-N 3.35Å; E25-I27 PolarHBondContact O-N 2.99Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.47Å; I27-A30 WeakPolarHBondContact O-CB 3.45Å; I27-A30 PolarHBondContact O-N 3.25Å; I27-A30 VanDerWaalsContact O-N 3.1Å; I27-I31 PolarHBondContact O-N 2.83Å; I27-L41 HydrophobicContact CB-CD2 4.28Å; I27-L41 HydrophobicContact CG1-CD2 4.16Å; I27-L41 HydrophobicContact CG2-CD2 3.84Å; I27-I44 HydrophobicContact CD1-CG2 3.97Å; I27-I44 HydrophobicContact CG1-CD1 3.91Å; I27-I44 HydrophobicContact CG1-CG2 4.34Å; I27-L45 HydrophobicContact CD1-CD2 3.95Å; I27-L45 HydrophobicContact CD1-CG 4.45Å; I27-I56 HydrophobicContact CD1-CG2 3.64Å; I27-Y60 HydrophobicContact CG2-CD2 4.41Å; I27-Y60 HydrophobicContact CG2-CE2 4.03Å; I27-L68 HydrophobicContact CD1-CD2 4.45Å; I27-L68 HydrophobicContact CG2-CD1 3.49Å; I27-L68 VanDerWaalsContact CG2-CD1 3.49Å |
| 28 | R | 97.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 178.9 | -178.3 | 63.1 | -173.7 | 136.7 | 9.1 | 111.4 | A24 E25 I31 R32 Y60 Y64 D71 | A24-R28 WeakPolarHBondContact O-CB 3.1Å; A24-R28 PolarHBondContact O-N 3.06Å; E25-R28 PolarHBondContact O-N 3.07Å; R28-I31 WeakPolarHBondContact O-CG1 3.4Å; R28-R32 WeakPolarHBondContact O-CB 3.3Å; R28-R32 PolarHBondContact O-N 3.15Å; R28-R32 VanDerWaalsContact O-N 3.16Å; R28-Y60 HydrophobicContact CB-CE2 3.75Å; R28-Y60 WeakPolarHBondContact CD-OH 3.18Å; R28-Y60 HydrophobicContact CG-CE2 4.48Å; R28-Y64 HydrophobicContact CB-CD2 4.12Å; R28-Y64 HydrophobicContact CB-CE1 4.4Å; R28-Y64 HydrophobicContact CB-CE2 3.53Å; R28-Y64 HydrophobicContact CG-CD1 4.17Å; R28-Y64 HydrophobicContact CG-CD2 4.08Å; R28-Y64 HydrophobicContact CG-CE1 3.93Å; R28-Y64 HydrophobicContact CG-CE2 3.83Å; R28-Y64 HydrophobicContact CG-CG 4.25Å; R28-D71 IonicContact NH1-OD2 3.83Å; R28-D71 PolarHBondContact NH1-OD2 2.96Å |
| 29 | K | 97.6 | Very high | 96.3 | Very high | 173 Ų | 173 | 68 Ų | 68 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | 176.4 | -175.4 | -180 | 175.8 | -175.6 | 0 | 111.6 | E25 A26 I27 I31 R32 | E25-K29 WeakPolarHBondContact O-CB 3.36Å; E25-K29 PolarHBondContact O-N 3.02Å; A26-K29 PolarHBondContact O-N 3.4Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.47Å; K29-I31 VanDerWaalsContact C-N 3.27Å; K29-I31 PolarHBondContact O-N 2.61Å; K29-R32 PolarHBondContact O-N 2.94Å |
| 30 | A | 97.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 7% | 0.066 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.5 | -29.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A26 I27 T36 D37 M40 L41 | A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 3.45Å; I27-A30 WeakPolarHBondContact O-CB 3.45Å; I27-A30 PolarHBondContact O-N 3.25Å; I27-A30 VanDerWaalsContact O-N 3.1Å; A30-T36 CarbonylContact O-C 3.58Å; A30-T36 WeakPolarHBondContact O-CA 3.24Å; A30-D37 HydrophobicContact CB-CB 3.97Å; A30-D37 PolarHBondContact O-N 3.4Å; A30-M40 HydrophobicContact CB-CB 4.01Å; A30-M40 HydrophobicContact CB-CG 4Å; A30-L41 HydrophobicContact CB-CD2 3.86Å; A30-L41 HydrophobicContact CB-CG 4.1Å |
| 31 | I | 95.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -103.8 | -5.8 | -179.5 | 67.3 | 170.3 | 0 | 0 | 0 | 113.9 | I27 R28 K29 G33 T36 L41 Y60 D71 D75 | I27-I31 PolarHBondContact O-N 2.83Å; R28-I31 WeakPolarHBondContact O-CG1 3.4Å; K29-I31 VanDerWaalsContact C-N 3.27Å; K29-I31 PolarHBondContact O-N 2.61Å; I31-G33 PolarHBondContact O-N 2.97Å; I31-T36 HydrophobicContact CG2-CG2 4.25Å; I31-L41 HydrophobicContact CG2-CD1 4Å; I31-L41 HydrophobicContact CG2-CD2 4.1Å; I31-Y60 WeakPolarHBondContact CD1-OH 3.48Å; I31-D71 HydrophobicContact CD1-CB 3.52Å; I31-D71 WeakPolarHBondContact CD1-OD2 3.39Å; I31-D75 HydrophobicContact CB-CB 4.31Å; I31-D75 HydrophobicContact CG2-CB 4.33Å |
| 32 | R | 91.1 | Very high | 96.3 | Very high | 189 Ų | 189 | 65.2 Ų | 65.2 | 71% | 0.713 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -87.8 | 114.6 | -173.1 | 177.7 | -175 | 138.8 | -174.8 | -4.9 | 110.3 | R28 K29 | R28-R32 WeakPolarHBondContact O-CB 3.3Å; R28-R32 PolarHBondContact O-N 3.15Å; R28-R32 VanDerWaalsContact O-N 3.16Å; K29-R32 PolarHBondContact O-N 2.94Å |
| 33 | G | 87.1 | Confident | 96.2 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 125.2 | -146.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I31 | I31-G33 PolarHBondContact O-N 2.97Š|
| 34 | I | 87.1 | Confident | 96.2 | Very high | 188 Ų | 188 | 63.3 Ų | 63.3 | 96% | 0.964 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -93.4 | 123.6 | 172.8 | -64.3 | 172.3 | 0 | 0 | 0 | 107.5 | ||
| 35 | G | 91.1 | Very high | 96.2 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 55% | 0.546 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 83.1 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 36 | T | 96.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | trans | -128.2 | 146.3 | -176.5 | -53.9 | 0 | 0 | 0 | 0 | 109.2 | A30 I31 E38 L41 D75 L76 | A30-T36 CarbonylContact O-C 3.58Å; A30-T36 WeakPolarHBondContact O-CA 3.24Å; I31-T36 HydrophobicContact CG2-CG2 4.25Å; T36-E38 HydrophobicContact CG2-CG 4.33Å; T36-L41 HydrophobicContact CG2-CD1 3.66Å; T36-D75 PolarHBondContact OG1-O 3.41Å; T36-L76 HydrophobicContact CG2-CD2 3.85Å | ||
| 37 | D | 97.7 | Very high | 96.2 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | trans | -94.4 | 80.9 | 167.2 | -174.5 | -13.7 | 0 | 0 | 0 | 108.9 | A30 K39 M40 L41 | A30-D37 HydrophobicContact CB-CB 3.97Å; A30-D37 PolarHBondContact O-N 3.4Å; D37-K39 PolarHBondContact O-N 3.01Å; D37-K39 PolarHBondContact OD1-N 3.49Å; D37-M40 HydrophobicContact CB-CB 4.11Å; D37-M40 VanDerWaalsContact CG-CB 3.48Å; D37-M40 PolarHBondContact O-N 2.88Å; D37-M40 PolarHBondContact OD1-N 3.23Å; D37-L41 PolarHBondContact O-N 3.49Å | ||
| 38 | E | 98 | Very high | 96.2 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -34 | -177.3 | -60.9 | 84.3 | 179.4 | 0 | 0 | 111.4 | T36 M40 L41 I42 L76 F80 | T36-E38 HydrophobicContact CG2-CG 4.33Å; E38-M40 PolarHBondContact O-N 3.06Å; E38-L41 PolarHBondContact O-N 3Å; E38-I42 WeakPolarHBondContact O-CB 3.25Å; E38-I42 WeakPolarHBondContact O-CG1 3.32Å; E38-I42 PolarHBondContact O-N 3.43Å; E38-L76 HydrophobicContact CG-CD2 4.32Å; E38-F80 HydrophobicContact CB-CE1 3.76Å; E38-F80 HydrophobicContact CB-CZ 3.94Å; E38-F80 HydrophobicContact CG-CD1 4.4Å; E38-F80 HydrophobicContact CG-CE1 3.57Å; E38-F80 HydrophobicContact CG-CZ 4.28Å |
| 39 | K | 97.9 | Very high | 96.3 | Very high | 156 Ų | 156 | 58.2 Ų | 58.2 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.4 | -42.5 | 179.1 | -65.6 | -176.9 | -178.3 | 177 | 0 | 111.7 | D37 S43 | D37-K39 PolarHBondContact O-N 3.01Å; D37-K39 PolarHBondContact OD1-N 3.49Å; K39-S43 WeakPolarHBondContact O-CB 3.44Å; K39-S43 PolarHBondContact O-N 2.98Å |
| 40 | M | 98.4 | Very high | 96.3 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 37% | 0.365 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.6 | -177.9 | 59.5 | 66.8 | 0 | 0 | 111.2 | A26 A30 D37 E38 I42 S43 I44 | A26-M40 HydrophobicContact CB-SD 4.38Å; A30-M40 HydrophobicContact CB-CB 4.01Å; A30-M40 HydrophobicContact CB-CG 4Å; D37-M40 HydrophobicContact CB-CB 4.11Å; D37-M40 VanDerWaalsContact CG-CB 3.48Å; D37-M40 PolarHBondContact O-N 2.88Å; D37-M40 PolarHBondContact OD1-N 3.23Å; E38-M40 PolarHBondContact O-N 3.06Å; M40-I42 PolarHBondContact O-N 3.06Å; M40-S43 PolarHBondContact O-N 2.64Å; M40-I44 HydrophobicContact CG-CD1 4.03Å; M40-I44 WeakPolarHBondContact O-CG1 3.12Å; M40-I44 PolarHBondContact O-N 3.46Å; M40-I44 HydrophobicContact SD-CD1 3.75Å; M40-I44 HydrophobicContact SD-CG1 4.19Å |
| 41 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 178.3 | -63.4 | 179.9 | 0 | 0 | 0 | 111.7 | I27 A30 I31 T36 D37 E38 I44 L45 L72 L76 M84 | I27-L41 HydrophobicContact CB-CD2 4.28Å; I27-L41 HydrophobicContact CG1-CD2 4.16Å; I27-L41 HydrophobicContact CG2-CD2 3.84Å; A30-L41 HydrophobicContact CB-CD2 3.86Å; A30-L41 HydrophobicContact CB-CG 4.1Å; I31-L41 HydrophobicContact CG2-CD1 4Å; I31-L41 HydrophobicContact CG2-CD2 4.1Å; T36-L41 HydrophobicContact CG2-CD1 3.66Å; D37-L41 PolarHBondContact O-N 3.49Å; E38-L41 PolarHBondContact O-N 3Å; L41-I44 PolarHBondContact O-N 2.63Å; L41-L45 WeakPolarHBondContact O-CB 3.25Å; L41-L45 PolarHBondContact O-N 3.39Å; L41-L72 HydrophobicContact CD1-CD2 4.07Å; L41-L72 HydrophobicContact CD2-CD2 4.4Å; L41-L76 HydrophobicContact CD1-CD1 4.3Å; L41-L76 HydrophobicContact CD1-CD2 4.02Å; L41-M84 VanDerWaalsContact C-CE 3.47Å; L41-M84 HydrophobicContact CB-CE 3.61Å; L41-M84 WeakPolarHBondContact O-CE 3.45Å |
| 42 | I | 98.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 176.8 | -69.8 | 168.9 | 0 | 0 | 0 | 110.2 | E38 M40 I44 T46 F80 M84 D310 I313 T314 K317 | E38-I42 WeakPolarHBondContact O-CB 3.25Å; E38-I42 WeakPolarHBondContact O-CG1 3.32Å; E38-I42 PolarHBondContact O-N 3.43Å; M40-I42 PolarHBondContact O-N 3.06Å; I42-I44 VanDerWaalsContact C-N 3.27Å; I42-I44 PolarHBondContact O-N 2.92Å; I42-T46 HydrophobicContact CG2-CG2 4.32Å; I42-T46 WeakPolarHBondContact O-CB 3.44Å; I42-T46 PolarHBondContact O-N 3.06Å; I42-T46 VanDerWaalsContact O-N 3.09Å; I42-T46 PolarHBondContact O-OG1 3.38Å; I42-F80 HydrophobicContact CD1-CE2 3.77Å; I42-F80 HydrophobicContact CD1-CZ 3.93Å; I42-F80 HydrophobicContact CG1-CE2 3.59Å; I42-F80 HydrophobicContact CG1-CZ 3.75Å; I42-M84 HydrophobicContact CG1-CE 4.32Å; I42-D310 HydrophobicContact CD1-CB 3.98Å; I42-I313 HydrophobicContact CD1-CB 4.44Å; I42-I313 HydrophobicContact CD1-CG2 4.3Å; I42-I313 HydrophobicContact CG2-CG2 4.18Å; I42-T314 WeakPolarHBondContact CD1-OG1 3.49Å; I42-T314 WeakPolarHBondContact CG1-OG1 3.26Å; I42-K317 HydrophobicContact CG2-CD 3.8Å; I42-K317 HydrophobicContact CG2-CG 4.48Å |
| 43 | S | 97.5 | Very high | 96.9 | Very high | 46 Ų | 46 | 44.9 Ų | 44.9 | 32% | 0.322 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.8 | -38.9 | -177.6 | -160.5 | 0 | 0 | 0 | 0 | 112.6 | K39 M40 E47 | K39-S43 WeakPolarHBondContact O-CB 3.44Å; K39-S43 PolarHBondContact O-N 2.98Å; M40-S43 PolarHBondContact O-N 2.64Å; S43-E47 VanDerWaalsContact O-CB 3.29Å; S43-E47 WeakPolarHBondContact O-CB 3.47Å; S43-E47 VanDerWaalsContact O-CG 3.25Å; S43-E47 WeakPolarHBondContact O-CG 3.47Å |
| 44 | I | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -78 | -56.6 | 178.6 | -63.3 | 169.2 | 0 | 0 | 0 | 110.1 | D23 A26 I27 M40 L41 I42 T46 E47 R48 I56 | D23-I44 HydrophobicContact CB-CG2 3.96Å; A26-I44 HydrophobicContact CB-CD1 3.6Å; I27-I44 HydrophobicContact CD1-CG2 3.97Å; I27-I44 HydrophobicContact CG1-CD1 3.91Å; I27-I44 HydrophobicContact CG1-CG2 4.34Å; M40-I44 HydrophobicContact CG-CD1 4.03Å; M40-I44 WeakPolarHBondContact O-CG1 3.12Å; M40-I44 PolarHBondContact O-N 3.46Å; M40-I44 HydrophobicContact SD-CD1 3.75Å; M40-I44 HydrophobicContact SD-CG1 4.19Å; L41-I44 PolarHBondContact O-N 2.63Å; I42-I44 VanDerWaalsContact C-N 3.27Å; I42-I44 PolarHBondContact O-N 2.92Å; I44-T46 VanDerWaalsContact C-N 3.34Å; I44-T46 PolarHBondContact O-N 3.42Å; I44-E47 PolarHBondContact O-N 2.78Å; I44-E47 VanDerWaalsContact O-N 3.17Å; I44-R48 HydrophobicContact CG2-CG 4.36Å; I44-R48 VanDerWaalsContact O-CG 3.25Å; I44-R48 WeakPolarHBondContact O-CG 3.41Å; I44-R48 PolarHBondContact O-N 2.97Å; I44-I56 HydrophobicContact CG2-CD1 4.15Å |
| 45 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.5 | -22.9 | -165.5 | -64.5 | -179.9 | 0 | 0 | 0 | 114 | I27 L41 R53 L72 M84 V88 | I27-L45 HydrophobicContact CD1-CD2 3.95Å; I27-L45 HydrophobicContact CD1-CG 4.45Å; L41-L45 WeakPolarHBondContact O-CB 3.25Å; L41-L45 PolarHBondContact O-N 3.39Å; L45-R53 HydrophobicContact CD2-CG 4.3Å; L45-R53 PolarHBondContact O-NE 3.29Å; L45-L72 HydrophobicContact CD1-CD1 4.23Å; L45-M84 HydrophobicContact CB-CE 4.08Å; L45-M84 HydrophobicContact CD1-CE 3.68Å; L45-M84 HydrophobicContact CG-CE 4.31Å; L45-V88 HydrophobicContact CD1-CG1 3.87Å; L45-V88 HydrophobicContact CD2-CG1 3.8Å; L45-V88 HydrophobicContact CG-CG1 4.44Å |
| 46 | T | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -13 | 174.5 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | I42 I44 L87 T314 K317 I318 | I42-T46 HydrophobicContact CG2-CG2 4.32Å; I42-T46 WeakPolarHBondContact O-CB 3.44Å; I42-T46 PolarHBondContact O-N 3.06Å; I42-T46 VanDerWaalsContact O-N 3.09Å; I42-T46 PolarHBondContact O-OG1 3.38Å; I44-T46 VanDerWaalsContact C-N 3.34Å; I44-T46 PolarHBondContact O-N 3.42Å; T46-L87 HydrophobicContact CG2-CD1 3.98Å; T46-T314 HydrophobicContact CG2-CG2 3.65Å; T46-K317 HydrophobicContact CG2-CB 4.1Å; T46-K317 WeakPolarHBondContact OG1-CD 3.27Å; T46-I318 HydrophobicContact CG2-CG1 4.25Å |
| 47 | E | 98.5 | Very high | 98.5 | Very high | 77 Ų | 77 | 37.3 Ų | 37.3 | 36% | 0.36 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -109.4 | 15.2 | -179.5 | -61.2 | 176.5 | -163 | 0 | 0 | 112.5 | Y15 S43 I44 K317 | Y15-E47 WeakPolarHBondContact CB-O 3.3Å; S43-E47 VanDerWaalsContact O-CB 3.29Å; S43-E47 WeakPolarHBondContact O-CB 3.47Å; S43-E47 VanDerWaalsContact O-CG 3.25Å; S43-E47 WeakPolarHBondContact O-CG 3.47Å; I44-E47 PolarHBondContact O-N 2.78Å; I44-E47 VanDerWaalsContact O-N 3.17Å; E47-K317 IonicContact OE1-NZ 3.31Å; E47-K317 PolarHBondContact OE1-NZ 2.87Å |
| 48 | R | 98.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -121.5 | 140.1 | 171.8 | -61.4 | -63.8 | 179.1 | -81.9 | -8.2 | 108.8 | I12 Y15 D23 I44 Q52 R53 I56 | I12-R48 WeakPolarHBondContact CG2-O 3.44Å; Y15-R48 VanDerWaalsContact CD2-NH1 3.32Å; D23-R48 IonicContact OD1-CZ 2.75Å; D23-R48 IonicContact OD1-NE 2.82Å; D23-R48 IonicContact OD1-NH2 3.42Å; D23-R48 PolarHBondContact OD1-NH2 3.3Å; D23-R48 IonicContact OD2-CZ 3.67Å; D23-R48 IonicContact OD2-NE 3.21Å; D23-R48 PolarHBondContact OD2-NE 2.79Å; D23-R48 IonicContact OD2-NH2 3.75Å; D23-R48 PolarHBondContact OD2-NH2 3Å; I44-R48 HydrophobicContact CG2-CG 4.36Å; I44-R48 VanDerWaalsContact O-CG 3.25Å; I44-R48 WeakPolarHBondContact O-CG 3.41Å; I44-R48 PolarHBondContact O-N 2.97Å; R48-Q52 HydrophobicContact CB-CB 4.03Å; R48-R53 HydrophobicContact CB-CG 4.03Å; R48-R53 VanDerWaalsContact O-CZ 3.23Å; R48-R53 PolarHBondContact O-NE 3.15Å; R48-R53 PolarHBondContact O-NH2 3.28Å; R48-I56 HydrophobicContact CG-CD1 4.06Å |
| 49 | S | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | trans | -64.4 | 160.4 | 169.5 | 69 | 0 | 0 | 0 | 0 | 110.8 | D14 A51 Q52 R53 E281 | D14-S49 WeakPolarHBondContact OD1-CB 3.4Å; D14-S49 PolarHBondContact OD1-OG 2.9Å; S49-A51 PolarHBondContact O-N 3.13Å; S49-Q52 WeakPolarHBondContact O-CB 3.36Å; S49-Q52 PolarHBondContact O-N 3.23Å; S49-Q52 VanDerWaalsContact O-N 3.08Å; S49-Q52 WeakPolarHBondContact OG-CG 3.48Å; S49-Q52 PolarHBondContact OG-N 3.09Å; S49-R53 WeakPolarHBondContact O-CG 3.41Å; S49-R53 PolarHBondContact O-N 3.33Å; S49-E281 WeakPolarHBondContact CA-OE1 3.08Å | ||
| 50 | N | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -37.8 | 178.5 | -169 | -75.2 | 0 | 0 | 0 | 111 | Q52 R53 Q54 L87 T89 P91 E281 | N50-Q52 VanDerWaalsContact C-N 3.34Å; N50-Q52 PolarHBondContact O-N 3.16Å; N50-R53 WeakPolarHBondContact O-CB 3.46Å; N50-R53 PolarHBondContact O-N 3.02Å; N50-R53 VanDerWaalsContact O-N 3.15Å; N50-Q54 WeakPolarHBondContact O-CG 3.43Å; N50-Q54 PolarHBondContact O-N 3.48Å; N50-Q54 PolarHBondContact OD1-NE2 3.4Å; N50-Q54 VanDerWaalsContact OD1-NE2 3.14Å; N50-L87 PolarHBondContact ND2-O 2.86Å; N50-T89 PolarHBondContact ND2-O 2.83Å; N50-P91 WeakPolarHBondContact OD1-CD 3.28Å; N50-E281 WeakPolarHBondContact CB-OE1 3.46Å; N50-E281 PolarHBondContact N-OE1 3.06Å; N50-E281 PolarHBondContact N-OE2 3.03Å |
| 51 | A | 98.6 | Very high | 98.7 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 52% | 0.521 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.3 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S49 Q54 L55 | S49-A51 PolarHBondContact O-N 3.13Å; A51-Q54 PolarHBondContact O-N 2.98Å; A51-L55 PolarHBondContact O-N 3.23Å |
| 52 | Q | 98.9 | Very high | 98.7 | Very high | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 174.4 | -69.5 | 177.8 | -29.5 | 0 | 0 | 111.7 | Y15 F18 R48 S49 N50 Q54 L55 I56 | Y15-Q52 VanDerWaalsContact N-NE2 3.19Å; Y15-Q52 PolarHBondContact O-NE2 3.43Å; F18-Q52 VanDerWaalsContact CB-NE2 3.28Å; F18-Q52 HydrophobicContact CD1-CB 4.11Å; F18-Q52 HydrophobicContact CD1-CG 3.66Å; F18-Q52 HydrophobicContact CD2-CB 4.22Å; F18-Q52 HydrophobicContact CD2-CG 4.38Å; F18-Q52 HydrophobicContact CE1-CB 3.87Å; F18-Q52 HydrophobicContact CE1-CG 3.83Å; F18-Q52 HydrophobicContact CE2-CB 4Å; F18-Q52 HydrophobicContact CG-CB 4.27Å; F18-Q52 HydrophobicContact CG-CG 3.94Å; F18-Q52 HydrophobicContact CZ-CB 3.81Å; F18-Q52 HydrophobicContact CZ-CG 4.28Å; F18-Q52 WeakPolarHBondContact CZ-O 3.31Å; R48-Q52 HydrophobicContact CB-CB 4.03Å; S49-Q52 WeakPolarHBondContact O-CB 3.36Å; S49-Q52 PolarHBondContact O-N 3.23Å; S49-Q52 VanDerWaalsContact O-N 3.08Å; S49-Q52 WeakPolarHBondContact OG-CG 3.48Å; S49-Q52 PolarHBondContact OG-N 3.09Å; N50-Q52 VanDerWaalsContact C-N 3.34Å; N50-Q52 PolarHBondContact O-N 3.16Å; Q52-Q54 VanDerWaalsContact C-N 3.27Å; Q52-Q54 PolarHBondContact O-N 3.34Å; Q52-L55 WeakPolarHBondContact O-CA 3.28Å; Q52-L55 WeakPolarHBondContact O-CB 3.2Å; Q52-L55 PolarHBondContact O-N 3.4Å; Q52-I56 WeakPolarHBondContact O-CG1 3.37Å; Q52-I56 PolarHBondContact O-N 2.86Å |
| 53 | R | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.9 | -36.5 | 174 | -64.4 | 176.8 | -146.6 | 132 | 13.7 | 112.2 | L45 R48 S49 N50 L55 I56 V57 L87 E281 | L45-R53 HydrophobicContact CD2-CG 4.3Å; L45-R53 PolarHBondContact O-NE 3.29Å; R48-R53 HydrophobicContact CB-CG 4.03Å; R48-R53 VanDerWaalsContact O-CZ 3.23Å; R48-R53 PolarHBondContact O-NE 3.15Å; R48-R53 PolarHBondContact O-NH2 3.28Å; S49-R53 WeakPolarHBondContact O-CG 3.41Å; S49-R53 PolarHBondContact O-N 3.33Å; N50-R53 WeakPolarHBondContact O-CB 3.46Å; N50-R53 PolarHBondContact O-N 3.02Å; N50-R53 VanDerWaalsContact O-N 3.15Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-L55 PolarHBondContact O-N 3.36Å; R53-I56 WeakPolarHBondContact O-CB 3.5Å; R53-I56 PolarHBondContact O-N 3.29Å; R53-V57 VanDerWaalsContact O-CG2 3.28Å; R53-V57 WeakPolarHBondContact O-CG2 3.47Å; R53-V57 PolarHBondContact O-N 3.4Å; R53-L87 WeakPolarHBondContact CD-O 3.24Å; R53-L87 PolarHBondContact NH1-O 3.39Å; R53-E281 IonicContact NH1-OE1 2.72Å; R53-E281 IonicContact NH2-OE1 2.87Å; R53-E281 PolarHBondContact NH2-OE1 3.23Å |
| 54 | Q | 98.9 | Very high | 98.6 | Very high | 54 Ų | 54 | 42.3 Ų | 42.3 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.6 | -33.8 | 174.6 | -61.3 | -40.2 | -58.7 | 0 | 0 | 112.5 | N50 A51 Q52 V57 K58 V88 | N50-Q54 WeakPolarHBondContact O-CG 3.43Å; N50-Q54 PolarHBondContact O-N 3.48Å; N50-Q54 PolarHBondContact OD1-NE2 3.4Å; N50-Q54 VanDerWaalsContact OD1-NE2 3.14Å; A51-Q54 PolarHBondContact O-N 2.98Å; Q52-Q54 VanDerWaalsContact C-N 3.27Å; Q52-Q54 PolarHBondContact O-N 3.34Å; Q54-V57 PolarHBondContact O-N 2.84Å; Q54-K58 PolarHBondContact O-N 2.87Å; Q54-V88 PolarHBondContact NE2-O 2.97Å |
| 55 | L | 98.8 | Very high | 98.6 | Very high | 87 Ų | 87 | 44.5 Ų | 44.5 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 173.2 | -64 | 173.5 | 0 | 0 | 0 | 111.5 | F18 P20 A51 Q52 R53 K58 E59 | F18-L55 HydrophobicContact CE1-CB 3.97Å; F18-L55 HydrophobicContact CE1-CD1 3.74Å; F18-L55 HydrophobicContact CE1-CG 4.49Å; F18-L55 HydrophobicContact CZ-CB 3.93Å; P20-L55 HydrophobicContact CB-CB 4.36Å; P20-L55 HydrophobicContact CG-CB 4.07Å; A51-L55 PolarHBondContact O-N 3.23Å; Q52-L55 WeakPolarHBondContact O-CA 3.28Å; Q52-L55 WeakPolarHBondContact O-CB 3.2Å; Q52-L55 PolarHBondContact O-N 3.4Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-L55 PolarHBondContact O-N 3.36Å; L55-K58 PolarHBondContact O-N 3.04Å; L55-E59 WeakPolarHBondContact O-CB 3.3Å; L55-E59 PolarHBondContact O-N 2.91Å |
| 56 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 171.9 | -62 | 170.7 | 0 | 0 | 0 | 110.5 | F18 D23 A24 I27 I44 R48 Q52 R53 K58 E59 Y60 L68 | F18-I56 HydrophobicContact CE2-CD1 3.89Å; F18-I56 HydrophobicContact CE2-CG1 3.64Å; F18-I56 HydrophobicContact CZ-CD1 4.48Å; F18-I56 HydrophobicContact CZ-CG1 3.85Å; D23-I56 HydrophobicContact CB-CD1 3.69Å; D23-I56 HydrophobicContact CB-CG1 3.87Å; D23-I56 HydrophobicContact CB-CG2 4.49Å; A24-I56 HydrophobicContact CB-CG2 4.4Å; I27-I56 HydrophobicContact CD1-CG2 3.64Å; I44-I56 HydrophobicContact CG2-CD1 4.15Å; R48-I56 HydrophobicContact CG-CD1 4.06Å; Q52-I56 WeakPolarHBondContact O-CG1 3.37Å; Q52-I56 PolarHBondContact O-N 2.86Å; R53-I56 WeakPolarHBondContact O-CB 3.5Å; R53-I56 PolarHBondContact O-N 3.29Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 2.84Å; I56-E59 PolarHBondContact O-N 3.33Å; I56-Y60 VanDerWaalsContact O-CB 3.25Å; I56-Y60 WeakPolarHBondContact O-CB 3.37Å; I56-Y60 PolarHBondContact O-N 3.26Å; I56-L68 HydrophobicContact CG2-CD2 4.15Å |
| 57 | V | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 178.5 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | R53 Q54 Y60 Q61 L68 V88 | R53-V57 VanDerWaalsContact O-CG2 3.28Å; R53-V57 WeakPolarHBondContact O-CG2 3.47Å; R53-V57 PolarHBondContact O-N 3.4Å; Q54-V57 PolarHBondContact O-N 2.84Å; V57-Y60 PolarHBondContact O-N 3.48Å; V57-Q61 PolarHBondContact O-N 3.13Å; V57-Q61 VanDerWaalsContact O-N 3.1Å; V57-L68 HydrophobicContact CG2-CB 4.34Å; V57-L68 HydrophobicContact CG2-CD2 3.9Å; V57-V88 HydrophobicContact CG2-CB 4.19Å |
| 58 | K | 98.7 | Very high | 98.4 | Very high | 159 Ų | 159 | 48.9 Ų | 48.9 | 69% | 0.691 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 178.4 | -176.6 | -177.3 | 175.8 | -174.1 | 0 | 112.1 | Q54 L55 I56 Q61 A62 | Q54-K58 PolarHBondContact O-N 2.87Å; L55-K58 PolarHBondContact O-N 3.04Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 2.84Å; K58-Q61 PolarHBondContact O-N 3.47Å; K58-A62 PolarHBondContact O-N 3.41Å |
| 59 | E | 98.8 | Very high | 98.4 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 179.8 | -174.6 | 58.9 | -158 | 0 | 0 | 111.6 | P20 A24 L55 I56 Q61 A62 A63 | P20-E59 HydrophobicContact CB-CB 3.97Å; P20-E59 HydrophobicContact CB-CG 4.22Å; A24-E59 HydrophobicContact CB-CB 4.25Å; A24-E59 HydrophobicContact CB-CG 4.03Å; L55-E59 WeakPolarHBondContact O-CB 3.3Å; L55-E59 PolarHBondContact O-N 2.91Å; I56-E59 PolarHBondContact O-N 3.33Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-Q61 PolarHBondContact O-N 3.45Å; E59-A62 PolarHBondContact O-N 3.26Å; E59-A62 VanDerWaalsContact O-N 3.14Å; E59-A63 WeakPolarHBondContact O-CB 3.27Å; E59-A63 PolarHBondContact O-N 3.39Å |
| 60 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 176.2 | -166.7 | -85.4 | 0 | 0 | 0 | 111.7 | A24 I27 R28 I31 I56 V57 Y64 K66 L68 D71 | A24-Y60 HydrophobicContact CB-CD2 4.24Å; I27-Y60 HydrophobicContact CG2-CD2 4.41Å; I27-Y60 HydrophobicContact CG2-CE2 4.03Å; R28-Y60 HydrophobicContact CB-CE2 3.75Å; R28-Y60 WeakPolarHBondContact CD-OH 3.18Å; R28-Y60 HydrophobicContact CG-CE2 4.48Å; I31-Y60 WeakPolarHBondContact CD1-OH 3.48Å; I56-Y60 VanDerWaalsContact O-CB 3.25Å; I56-Y60 WeakPolarHBondContact O-CB 3.37Å; I56-Y60 PolarHBondContact O-N 3.26Å; V57-Y60 PolarHBondContact O-N 3.48Å; Y60-Y64 HydrophobicContact CD1-CD2 4.18Å; Y60-Y64 AromaticContact CD2-CD2 3.73Å; Y60-Y64 HydrophobicContact CD2-CD2 3.73Å; Y60-Y64 AromaticContact CD2-CE2 3.88Å; Y60-Y64 HydrophobicContact CD2-CE2 3.88Å; Y60-Y64 HydrophobicContact CE1-CD2 4.22Å; Y60-Y64 AromaticContact CE2-CD2 3.77Å; Y60-Y64 HydrophobicContact CE2-CD2 3.77Å; Y60-Y64 AromaticContact CE2-CE2 3.99Å; Y60-Y64 HydrophobicContact CE2-CE2 3.99Å; Y60-Y64 AromaticContact CG-CD2 3.93Å; Y60-Y64 HydrophobicContact CG-CD2 3.93Å; Y60-Y64 HydrophobicContact CG-CE2 4.43Å; Y60-Y64 AromaticContact CZ-CD2 4Å; Y60-Y64 WeakPolarHBondContact O-CB 3.06Å; Y60-Y64 WeakPolarHBondContact O-CD2 3.29Å; Y60-Y64 PolarHBondContact O-N 2.65Å; Y60-K66 WeakPolarHBondContact CD1-O 3.48Å; Y60-K66 HydrophobicContact CE1-CB 3.97Å; Y60-L68 HydrophobicContact CD1-CB 3.84Å; Y60-L68 HydrophobicContact CD1-CD1 4.48Å; Y60-L68 HydrophobicContact CD2-CD1 4.21Å; Y60-L68 HydrophobicContact CE1-CB 4.35Å; Y60-L68 HydrophobicContact CE1-CD1 4.44Å; Y60-L68 HydrophobicContact CE2-CD1 4.17Å; Y60-L68 HydrophobicContact CG-CB 4.04Å; Y60-L68 HydrophobicContact CG-CD1 4.37Å; Y60-D71 PolarHBondContact OH-OD2 2.99Å |
| 61 | Q | 98.4 | Very high | 98.3 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 174.6 | 178.7 | 61.2 | 45.4 | 0 | 0 | 112 | V57 K58 E59 G65 K66 E67 | V57-Q61 PolarHBondContact O-N 3.13Å; V57-Q61 VanDerWaalsContact O-N 3.1Å; K58-Q61 PolarHBondContact O-N 3.47Å; E59-Q61 VanDerWaalsContact C-N 3.34Å; E59-Q61 PolarHBondContact O-N 3.45Å; Q61-G65 PolarHBondContact NE2-O 3.41Å; Q61-G65 WeakPolarHBondContact O-CA 3.27Å; Q61-G65 PolarHBondContact O-N 3.36Å; Q61-K66 WeakPolarHBondContact CA-O 3.39Å; Q61-K66 PolarHBondContact OE1-O 2.87Å; Q61-E67 PolarHBondContact OE1-OE1 2.94Å |
| 62 | A | 98.4 | Very high | 98.3 | Very high | 79 Ų | 79 | 52.1 Ų | 52.1 | 65% | 0.653 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.9 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K58 E59 | K58-A62 PolarHBondContact O-N 3.41Å; E59-A62 PolarHBondContact O-N 3.26Å; E59-A62 VanDerWaalsContact O-N 3.14Å |
| 63 | A | 98.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 56 Ų | 56 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -76.7 | -34.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E59 | E59-A63 WeakPolarHBondContact O-CB 3.27Å; E59-A63 PolarHBondContact O-N 3.39Å |
| 64 | Y | 97.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 59 Ų | 59 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -121 | -6.7 | -169.9 | -51.4 | -56.2 | 0 | 0 | 0 | 114.8 | E25 R28 Y60 K66 | E25-Y64 VanDerWaalsContact CA-OH 3.27Å; E25-Y64 WeakPolarHBondContact CA-OH 3.09Å; R28-Y64 HydrophobicContact CB-CD2 4.12Å; R28-Y64 HydrophobicContact CB-CE1 4.4Å; R28-Y64 HydrophobicContact CB-CE2 3.53Å; R28-Y64 HydrophobicContact CG-CD1 4.17Å; R28-Y64 HydrophobicContact CG-CD2 4.08Å; R28-Y64 HydrophobicContact CG-CE1 3.93Å; R28-Y64 HydrophobicContact CG-CE2 3.83Å; R28-Y64 HydrophobicContact CG-CG 4.25Å; Y60-Y64 HydrophobicContact CD1-CD2 4.18Å; Y60-Y64 AromaticContact CD2-CD2 3.73Å; Y60-Y64 HydrophobicContact CD2-CD2 3.73Å; Y60-Y64 AromaticContact CD2-CE2 3.88Å; Y60-Y64 HydrophobicContact CD2-CE2 3.88Å; Y60-Y64 HydrophobicContact CE1-CD2 4.22Å; Y60-Y64 AromaticContact CE2-CD2 3.77Å; Y60-Y64 HydrophobicContact CE2-CD2 3.77Å; Y60-Y64 AromaticContact CE2-CE2 3.99Å; Y60-Y64 HydrophobicContact CE2-CE2 3.99Å; Y60-Y64 AromaticContact CG-CD2 3.93Å; Y60-Y64 HydrophobicContact CG-CD2 3.93Å; Y60-Y64 HydrophobicContact CG-CE2 4.43Å; Y60-Y64 AromaticContact CZ-CD2 4Å; Y60-Y64 WeakPolarHBondContact O-CB 3.06Å; Y60-Y64 WeakPolarHBondContact O-CD2 3.29Å; Y60-Y64 PolarHBondContact O-N 2.65Å; Y64-K66 PolarHBondContact O-N 2.96Å |
| 65 | G | 97.7 | Very high | 98 | Very high | 56 Ų | 56 | 59 Ų | 59 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 65.9 | 22.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q61 | Q61-G65 PolarHBondContact NE2-O 3.41Å; Q61-G65 WeakPolarHBondContact O-CA 3.27Å; Q61-G65 PolarHBondContact O-N 3.36Å |
| 66 | K | 96.8 | Very high | 97.9 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -128.7 | 146.6 | -173 | -72.3 | -175.2 | 160.7 | -147.8 | 0 | 112.5 | Y60 Q61 Y64 L68 D71 | Y60-K66 WeakPolarHBondContact CD1-O 3.48Å; Y60-K66 HydrophobicContact CE1-CB 3.97Å; Q61-K66 WeakPolarHBondContact CA-O 3.39Å; Q61-K66 PolarHBondContact OE1-O 2.87Å; Y64-K66 PolarHBondContact O-N 2.96Å; K66-L68 PolarHBondContact O-N 3.04Å; K66-D71 VanDerWaalsContact CD-OD2 3.24Å; K66-D71 WeakPolarHBondContact CD-OD2 3.39Å; K66-D71 IonicContact NZ-OD1 3.31Å; K66-D71 PolarHBondContact NZ-OD1 3.16Å; K66-D71 IonicContact NZ-OD2 2.69Å; K66-D71 PolarHBondContact NZ-OD2 3.48Å |
| 67 | E | 97.3 | Very high | 97.8 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | trans | -79.9 | 116 | 173.6 | -70.2 | -68.2 | 162.2 | 0 | 0 | 110.2 | Q61 K69 D70 D71 | Q61-E67 PolarHBondContact OE1-OE1 2.94Å; E67-K69 PolarHBondContact O-N 3.08Å; E67-D70 HydrophobicContact CB-CB 4.15Å; E67-D70 PolarHBondContact O-N 3.15Å; E67-D71 PolarHBondContact O-N 2.92Å; E67-D71 VanDerWaalsContact O-N 3.16Å | ||
| 68 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -53.3 | -41.4 | -179.1 | 172.5 | 57.1 | 0 | 0 | 0 | 112.1 | I27 I56 V57 Y60 K66 D70 D71 L72 V88 | I27-L68 HydrophobicContact CD1-CD2 4.45Å; I27-L68 HydrophobicContact CG2-CD1 3.49Å; I27-L68 VanDerWaalsContact CG2-CD1 3.49Å; I56-L68 HydrophobicContact CG2-CD2 4.15Å; V57-L68 HydrophobicContact CG2-CB 4.34Å; V57-L68 HydrophobicContact CG2-CD2 3.9Å; Y60-L68 HydrophobicContact CD1-CB 3.84Å; Y60-L68 HydrophobicContact CD1-CD1 4.48Å; Y60-L68 HydrophobicContact CD2-CD1 4.21Å; Y60-L68 HydrophobicContact CE1-CB 4.35Å; Y60-L68 HydrophobicContact CE1-CD1 4.44Å; Y60-L68 HydrophobicContact CE2-CD1 4.17Å; Y60-L68 HydrophobicContact CG-CB 4.04Å; Y60-L68 HydrophobicContact CG-CD1 4.37Å; K66-L68 PolarHBondContact O-N 3.04Å; L68-D70 VanDerWaalsContact C-N 3.26Å; L68-D70 PolarHBondContact O-N 3.47Å; L68-D71 PolarHBondContact O-N 3.25Å; L68-L72 HydrophobicContact CD1-CD1 4.32Å; L68-L72 HydrophobicContact CD1-CG 4.06Å; L68-L72 HydrophobicContact CG-CD1 4.21Å; L68-L72 HydrophobicContact CG-CG 4.42Å; L68-L72 WeakPolarHBondContact O-CG 3.44Å; L68-L72 PolarHBondContact O-N 3.32Å; L68-V88 HydrophobicContact CD2-CG1 4.15Å |
| 69 | K | 97.8 | Very high | 97.7 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.9 | -38.1 | 178.2 | 164.9 | 175.6 | 146.5 | -69.9 | 0 | 112.3 | E67 K73 V85 V88 | E67-K69 PolarHBondContact O-N 3.08Å; K69-K73 HydrophobicContact CG-CD 4.43Å; K69-K73 VanDerWaalsContact O-CG 3.28Å; K69-K73 WeakPolarHBondContact O-CG 3.28Å; K69-K73 PolarHBondContact O-N 3.26Å; K69-V85 HydrophobicContact CD-CG1 4.01Å; K69-V85 HydrophobicContact CG-CG1 3.96Å; K69-V88 HydrophobicContact CB-CG2 4.46Å |
| 70 | D | 97.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -80.4 | -34 | -174.2 | -64.3 | -15.6 | 0 | 0 | 0 | 110.9 | E67 L68 K73 G74 | E67-D70 HydrophobicContact CB-CB 4.15Å; E67-D70 PolarHBondContact O-N 3.15Å; L68-D70 VanDerWaalsContact C-N 3.26Å; L68-D70 PolarHBondContact O-N 3.47Å; D70-K73 PolarHBondContact O-N 3.12Å; D70-G74 PolarHBondContact O-N 2.83Å |
| 71 | D | 97.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 55.5 Ų | 55.5 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 168.1 | -97.3 | 9.7 | 0 | 0 | 0 | 111 | R28 I31 Y60 K66 E67 L68 K73 G74 D75 | R28-D71 IonicContact NH1-OD2 3.83Å; R28-D71 PolarHBondContact NH1-OD2 2.96Å; I31-D71 HydrophobicContact CD1-CB 3.52Å; I31-D71 WeakPolarHBondContact CD1-OD2 3.39Å; Y60-D71 PolarHBondContact OH-OD2 2.99Å; K66-D71 VanDerWaalsContact CD-OD2 3.24Å; K66-D71 WeakPolarHBondContact CD-OD2 3.39Å; K66-D71 IonicContact NZ-OD1 3.31Å; K66-D71 PolarHBondContact NZ-OD1 3.16Å; K66-D71 IonicContact NZ-OD2 2.69Å; K66-D71 PolarHBondContact NZ-OD2 3.48Å; E67-D71 PolarHBondContact O-N 2.92Å; E67-D71 VanDerWaalsContact O-N 3.16Å; L68-D71 PolarHBondContact O-N 3.25Å; D71-K73 PolarHBondContact O-N 3.22Å; D71-G74 PolarHBondContact O-N 3.22Å; D71-D75 PolarHBondContact O-N 3.09Å; D71-D75 VanDerWaalsContact O-N 3.12Å |
| 72 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.6 | -36.3 | 174.2 | -72.1 | 174.5 | 0 | 0 | 0 | 113 | L41 L45 L68 G74 L76 V85 V88 | L41-L72 HydrophobicContact CD1-CD2 4.07Å; L41-L72 HydrophobicContact CD2-CD2 4.4Å; L45-L72 HydrophobicContact CD1-CD1 4.23Å; L68-L72 HydrophobicContact CD1-CD1 4.32Å; L68-L72 HydrophobicContact CD1-CG 4.06Å; L68-L72 HydrophobicContact CG-CD1 4.21Å; L68-L72 HydrophobicContact CG-CG 4.42Å; L68-L72 WeakPolarHBondContact O-CG 3.44Å; L68-L72 PolarHBondContact O-N 3.32Å; L72-G74 VanDerWaalsContact C-N 3.34Å; L72-L76 HydrophobicContact CD2-CD1 4.02Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.17Å; L72-L76 PolarHBondContact O-N 2.98Å; L72-V85 HydrophobicContact CB-CG2 4.25Å; L72-V88 HydrophobicContact CD1-CG1 4.15Å; L72-V88 HydrophobicContact CD1-CG2 3.91Å |
| 73 | K | 97.5 | Very high | 97.7 | Very high | 97 Ų | 97 | 52.4 Ų | 52.4 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.8 | -24.4 | 176.5 | -72.3 | 177.8 | 160.6 | -150.7 | 0 | 113.8 | K69 D70 D71 E81 V85 | K69-K73 HydrophobicContact CG-CD 4.43Å; K69-K73 VanDerWaalsContact O-CG 3.28Å; K69-K73 WeakPolarHBondContact O-CG 3.28Å; K69-K73 PolarHBondContact O-N 3.26Å; D70-K73 PolarHBondContact O-N 3.12Å; D71-K73 PolarHBondContact O-N 3.22Å; K73-E81 HydrophobicContact CG-CG 4.49Å; K73-E81 WeakPolarHBondContact CG-OE1 3.49Å; K73-V85 HydrophobicContact CG-CG2 3.77Å |
| 74 | G | 96.6 | Very high | 97.8 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 68% | 0.68 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -78 | -33.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D70 D71 L72 | D70-G74 PolarHBondContact O-N 2.83Å; D71-G74 PolarHBondContact O-N 3.22Å; L72-G74 VanDerWaalsContact C-N 3.34Å |
| 75 | D | 96.3 | Very high | 97.8 | Very high | 54 Ų | 54 | 46.6 Ų | 46.6 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -103.5 | -19.9 | -171.8 | -77.2 | -71.5 | 0 | 0 | 0 | 114.5 | I31 T36 D71 | I31-D75 HydrophobicContact CB-CB 4.31Å; I31-D75 HydrophobicContact CG2-CB 4.33Å; T36-D75 PolarHBondContact OG1-O 3.41Å; D71-D75 PolarHBondContact O-N 3.09Å; D71-D75 VanDerWaalsContact O-N 3.12Å |
| 76 | L | 97.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | trans | -108.9 | 163.4 | 179 | -52.7 | -176.4 | 0 | 0 | 0 | 111.4 | T36 E38 L41 L72 F80 E81 M84 | T36-L76 HydrophobicContact CG2-CD2 3.85Å; E38-L76 HydrophobicContact CG-CD2 4.32Å; L41-L76 HydrophobicContact CD1-CD1 4.3Å; L41-L76 HydrophobicContact CD1-CD2 4.02Å; L72-L76 HydrophobicContact CD2-CD1 4.02Å; L72-L76 WeakPolarHBondContact O-CB 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.17Å; L72-L76 PolarHBondContact O-N 2.98Å; L76-F80 HydrophobicContact CB-CD1 4.5Å; L76-F80 HydrophobicContact CD1-CD1 4.18Å; L76-F80 HydrophobicContact CD1-CE1 3.84Å; L76-F80 HydrophobicContact CD1-CZ 4.31Å; L76-F80 HydrophobicContact CD2-CD1 4.02Å; L76-F80 HydrophobicContact CD2-CE1 3.56Å; L76-F80 HydrophobicContact CG-CD1 4.47Å; L76-F80 HydrophobicContact CG-CE1 4.25Å; L76-E81 HydrophobicContact CB-CB 3.69Å; L76-E81 HydrophobicContact CB-CG 3.98Å; L76-M84 HydrophobicContact CD1-CB 3.76Å; L76-M84 HydrophobicContact CD1-CG 3.84Å | ||
| 77 | S | 96.9 | Very high | 98 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 64% | 0.636 | 23% | 0.232 | S | C | * | . | trans | -141 | 165.7 | 172.9 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | E81 | S77-E81 WeakPolarHBondContact CA-OE2 3.2Å; S77-E81 PolarHBondContact O-N 2.79Å | ||
| 78 | G | 97.7 | Very high | 98 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 40% | 0.402 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | 66 | -148 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F80 E81 H82 | G78-F80 VanDerWaalsContact C-N 3.28Å; G78-F80 PolarHBondContact O-N 3.22Å; G78-E81 PolarHBondContact O-N 2.51Å; G78-H82 PolarHBondContact O-N 3.43Å; G78-H82 PolarHBondContact O-ND1 3.44Å |
| 79 | H | 97.9 | Very high | 98.1 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.6 | -31.1 | -177.6 | -56.9 | -72.3 | 0 | 0 | 0 | 112.9 | H82 L83 E269 Y311 | H79-H82 PolarHBondContact O-N 2.84Å; H79-L83 WeakPolarHBondContact O-CB 3.39Å; H79-L83 PolarHBondContact O-N 3.41Å; H79-E269 IonicContact CE1-OE1 3.78Å; H79-E269 IonicContact CE1-OE2 3.22Å; H79-E269 PolarHBondContact CE1-OE2 2.7Å; H79-E269 VanDerWaalsContact ND1-CB 3.29Å; H79-E269 WeakPolarHBondContact ND1-CB 3.3Å; H79-E269 WeakPolarHBondContact ND1-CG 3.29Å; H79-E269 IonicContact ND1-OE2 3.8Å; H79-E269 IonicContact NE2-OE1 3.2Å; H79-E269 IonicContact NE2-OE2 2.7Å; H79-Y311 HydrophobicContact CB-CD1 3.96Å; H79-Y311 HydrophobicContact CB-CD2 3.67Å; H79-Y311 HydrophobicContact CB-CE1 4.03Å; H79-Y311 HydrophobicContact CB-CE2 3.76Å; H79-Y311 HydrophobicContact CB-CG 3.78Å |
| 80 | F | 98.5 | Very high | 98.1 | Very high | 19 Ų | 19 | 36 Ų | 36 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -49.1 | 175.4 | 179.2 | -126.9 | 0 | 0 | 0 | 111.5 | E38 I42 L76 G78 H82 L83 M84 D310 T314 | E38-F80 HydrophobicContact CB-CE1 3.76Å; E38-F80 HydrophobicContact CB-CZ 3.94Å; E38-F80 HydrophobicContact CG-CD1 4.4Å; E38-F80 HydrophobicContact CG-CE1 3.57Å; E38-F80 HydrophobicContact CG-CZ 4.28Å; I42-F80 HydrophobicContact CD1-CE2 3.77Å; I42-F80 HydrophobicContact CD1-CZ 3.93Å; I42-F80 HydrophobicContact CG1-CE2 3.59Å; I42-F80 HydrophobicContact CG1-CZ 3.75Å; L76-F80 HydrophobicContact CB-CD1 4.5Å; L76-F80 HydrophobicContact CD1-CD1 4.18Å; L76-F80 HydrophobicContact CD1-CE1 3.84Å; L76-F80 HydrophobicContact CD1-CZ 4.31Å; L76-F80 HydrophobicContact CD2-CD1 4.02Å; L76-F80 HydrophobicContact CD2-CE1 3.56Å; L76-F80 HydrophobicContact CG-CD1 4.47Å; L76-F80 HydrophobicContact CG-CE1 4.25Å; G78-F80 VanDerWaalsContact C-N 3.28Å; G78-F80 PolarHBondContact O-N 3.22Å; F80-H82 VanDerWaalsContact C-N 3.34Å; F80-H82 PolarHBondContact O-N 3.28Å; F80-L83 PolarHBondContact O-N 3.47Å; F80-M84 HydrophobicContact CD2-CG 3.75Å; F80-M84 HydrophobicContact CD2-SD 4.42Å; F80-M84 HydrophobicContact CE1-CG 4.39Å; F80-M84 HydrophobicContact CE2-CE 4.14Å; F80-M84 HydrophobicContact CE2-CG 3.33Å; F80-M84 HydrophobicContact CE2-SD 3.64Å; F80-M84 HydrophobicContact CG-CG 4.42Å; F80-M84 HydrophobicContact CZ-CE 4.09Å; F80-M84 HydrophobicContact CZ-CG 3.71Å; F80-M84 HydrophobicContact CZ-SD 4.18Å; F80-M84 VanDerWaalsContact O-CG 3.28Å; F80-M84 WeakPolarHBondContact O-CG 3.33Å; F80-M84 PolarHBondContact O-N 3.27Å; F80-D310 HydrophobicContact CD1-CB 4.06Å; F80-D310 HydrophobicContact CD2-CB 3.93Å; F80-D310 HydrophobicContact CE1-CB 4.16Å; F80-D310 HydrophobicContact CE2-CB 4.06Å; F80-D310 HydrophobicContact CG-CB 3.95Å; F80-D310 HydrophobicContact CZ-CB 4.16Å; F80-T314 VanDerWaalsContact CE2-OG1 3.28Å; F80-T314 WeakPolarHBondContact CE2-OG1 3.48Å |
| 81 | E | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 33.8 Ų | 33.8 | 17% | 0.168 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.1 | -50.1 | 173.1 | -176.8 | -157 | 145.4 | 0 | 0 | 111.5 | K73 L76 S77 G78 L83 M84 V85 | K73-E81 HydrophobicContact CG-CG 4.49Å; K73-E81 WeakPolarHBondContact CG-OE1 3.49Å; L76-E81 HydrophobicContact CB-CB 3.69Å; L76-E81 HydrophobicContact CB-CG 3.98Å; S77-E81 WeakPolarHBondContact CA-OE2 3.2Å; S77-E81 PolarHBondContact O-N 2.79Å; G78-E81 PolarHBondContact O-N 2.51Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.44Å; E81-M84 PolarHBondContact O-N 3.06Å; E81-V85 HydrophobicContact CG-CG2 4.34Å; E81-V85 WeakPolarHBondContact O-CB 3.5Å; E81-V85 VanDerWaalsContact O-CG2 3.31Å; E81-V85 WeakPolarHBondContact O-CG2 3.47Å; E81-V85 PolarHBondContact O-N 2.96Å |
| 82 | H | 98.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 33.3 Ų | 33.3 | 38% | 0.375 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.1 | -41.4 | -179 | -67.6 | 147.7 | 0 | 0 | 0 | 112.4 | G78 H79 F80 A86 | G78-H82 PolarHBondContact O-N 3.43Å; G78-H82 PolarHBondContact O-ND1 3.44Å; H79-H82 PolarHBondContact O-N 2.84Å; F80-H82 VanDerWaalsContact C-N 3.34Å; F80-H82 PolarHBondContact O-N 3.28Å; H82-A86 VanDerWaalsContact O-CB 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.43Å; H82-A86 PolarHBondContact O-N 2.97Å |
| 83 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.2 | -43.6 | 179.3 | -176.2 | 56.6 | 0 | 0 | 0 | 111.8 | H79 F80 E81 A86 L87 N273 V277 Y311 T314 L315 I318 | H79-L83 WeakPolarHBondContact O-CB 3.39Å; H79-L83 PolarHBondContact O-N 3.41Å; F80-L83 PolarHBondContact O-N 3.47Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.44Å; L83-A86 WeakPolarHBondContact O-CB 2.99Å; L83-A86 PolarHBondContact O-N 3.47Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.22Å; L83-N273 HydrophobicContact CD1-CB 4.36Å; L83-V277 HydrophobicContact CD1-CG2 3.45Å; L83-V277 VanDerWaalsContact CD1-CG2 3.45Å; L83-Y311 HydrophobicContact CB-CD2 4.27Å; L83-Y311 HydrophobicContact CB-CE2 4.1Å; L83-Y311 HydrophobicContact CD2-CD2 3.84Å; L83-Y311 HydrophobicContact CD2-CE2 3.74Å; L83-Y311 HydrophobicContact CG-CE2 4.49Å; L83-T314 HydrophobicContact CD2-CG2 3.44Å; L83-T314 VanDerWaalsContact CD2-CG2 3.44Å; L83-T314 HydrophobicContact CG-CG2 3.86Å; L83-L315 HydrophobicContact CD1-CD2 4.42Å; L83-L315 HydrophobicContact CD2-CD2 3.73Å; L83-L315 HydrophobicContact CD2-CG 3.77Å; L83-I318 HydrophobicContact CD1-CD1 3.87Å; L83-I318 HydrophobicContact CD2-CD1 4.19Å; L83-I318 HydrophobicContact CG-CD1 4.27Å |
| 84 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 179.1 | -65.3 | -59.1 | -87.6 | 0 | 0 | 112 | L41 I42 L45 L76 F80 E81 A86 L87 V88 T314 | L41-M84 VanDerWaalsContact C-CE 3.47Å; L41-M84 HydrophobicContact CB-CE 3.61Å; L41-M84 WeakPolarHBondContact O-CE 3.45Å; I42-M84 HydrophobicContact CG1-CE 4.32Å; L45-M84 HydrophobicContact CB-CE 4.08Å; L45-M84 HydrophobicContact CD1-CE 3.68Å; L45-M84 HydrophobicContact CG-CE 4.31Å; L76-M84 HydrophobicContact CD1-CB 3.76Å; L76-M84 HydrophobicContact CD1-CG 3.84Å; F80-M84 HydrophobicContact CD2-CG 3.75Å; F80-M84 HydrophobicContact CD2-SD 4.42Å; F80-M84 HydrophobicContact CE1-CG 4.39Å; F80-M84 HydrophobicContact CE2-CE 4.14Å; F80-M84 HydrophobicContact CE2-CG 3.33Å; F80-M84 HydrophobicContact CE2-SD 3.64Å; F80-M84 HydrophobicContact CG-CG 4.42Å; F80-M84 HydrophobicContact CZ-CE 4.09Å; F80-M84 HydrophobicContact CZ-CG 3.71Å; F80-M84 HydrophobicContact CZ-SD 4.18Å; F80-M84 VanDerWaalsContact O-CG 3.28Å; F80-M84 WeakPolarHBondContact O-CG 3.33Å; F80-M84 PolarHBondContact O-N 3.27Å; E81-M84 PolarHBondContact O-N 3.06Å; M84-A86 VanDerWaalsContact C-N 3.32Å; M84-A86 PolarHBondContact O-N 3.06Å; M84-L87 PolarHBondContact O-N 3.35Å; M84-L87 HydrophobicContact SD-CD1 4.03Å; M84-V88 PolarHBondContact O-N 3.35Å; M84-T314 HydrophobicContact SD-CG2 3.9Å |
| 85 | V | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 10% | 0.097 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 173.1 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | K69 L72 K73 E81 V88 T89 | K69-V85 HydrophobicContact CD-CG1 4.01Å; K69-V85 HydrophobicContact CG-CG1 3.96Å; L72-V85 HydrophobicContact CB-CG2 4.25Å; K73-V85 HydrophobicContact CG-CG2 3.77Å; E81-V85 HydrophobicContact CG-CG2 4.34Å; E81-V85 WeakPolarHBondContact O-CB 3.5Å; E81-V85 VanDerWaalsContact O-CG2 3.31Å; E81-V85 WeakPolarHBondContact O-CG2 3.47Å; E81-V85 PolarHBondContact O-N 2.96Å; V85-V88 WeakPolarHBondContact O-CG2 3.41Å; V85-T89 PolarHBondContact O-N 3.29Å; V85-T89 PolarHBondContact O-OG1 3.37Å |
| 86 | A | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 5% | 0.05 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | H82 L83 M84 V88 T89 F94 V277 | H82-A86 VanDerWaalsContact O-CB 3.28Å; H82-A86 WeakPolarHBondContact O-CB 3.43Å; H82-A86 PolarHBondContact O-N 2.97Å; L83-A86 WeakPolarHBondContact O-CB 2.99Å; L83-A86 PolarHBondContact O-N 3.47Å; M84-A86 VanDerWaalsContact C-N 3.32Å; M84-A86 PolarHBondContact O-N 3.06Å; A86-V88 VanDerWaalsContact C-N 3.33Å; A86-V88 PolarHBondContact O-N 2.99Å; A86-T89 WeakPolarHBondContact O-CB 3.36Å; A86-T89 PolarHBondContact O-N 3.38Å; A86-T89 VanDerWaalsContact O-N 3.12Å; A86-F94 HydrophobicContact CB-CD2 3.91Å; A86-F94 HydrophobicContact CB-CE2 3.35Å; A86-F94 HydrophobicContact CB-CZ 4Å; A86-V277 HydrophobicContact CB-CG1 4.32Å; A86-V277 HydrophobicContact CB-CG2 4.01Å |
| 87 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 179.9 | -72.6 | 172 | 0 | 0 | 0 | 112.8 | T46 N50 R53 L83 M84 T89 V277 T314 I318 | T46-L87 HydrophobicContact CG2-CD1 3.98Å; N50-L87 PolarHBondContact ND2-O 2.86Å; R53-L87 WeakPolarHBondContact CD-O 3.24Å; R53-L87 PolarHBondContact NH1-O 3.39Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.22Å; M84-L87 PolarHBondContact O-N 3.35Å; M84-L87 HydrophobicContact SD-CD1 4.03Å; L87-T89 VanDerWaalsContact C-N 3.32Å; L87-V277 HydrophobicContact CD2-CG1 4.44Å; L87-V277 HydrophobicContact CD2-CG2 4.09Å; L87-V277 HydrophobicContact CG-CG2 4.43Å; L87-T314 HydrophobicContact CD1-CG2 4.14Å; L87-I318 HydrophobicContact CD1-CD1 4.29Å; L87-I318 HydrophobicContact CD2-CD1 3.96Å; L87-I318 HydrophobicContact CD2-CG1 4.34Å; L87-I318 HydrophobicContact CG-CD1 4.47Å |
| 88 | V | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -84.1 | -4.5 | 179.4 | -59.8 | 0 | 0 | 0 | 0 | 113.9 | L45 Q54 V57 L68 K69 L72 M84 V85 A86 | L45-V88 HydrophobicContact CD1-CG1 3.87Å; L45-V88 HydrophobicContact CD2-CG1 3.8Å; L45-V88 HydrophobicContact CG-CG1 4.44Å; Q54-V88 PolarHBondContact NE2-O 2.97Å; V57-V88 HydrophobicContact CG2-CB 4.19Å; L68-V88 HydrophobicContact CD2-CG1 4.15Å; K69-V88 HydrophobicContact CB-CG2 4.46Å; L72-V88 HydrophobicContact CD1-CG1 4.15Å; L72-V88 HydrophobicContact CD1-CG2 3.91Å; M84-V88 PolarHBondContact O-N 3.35Å; V85-V88 WeakPolarHBondContact O-CG2 3.41Å; A86-V88 VanDerWaalsContact C-N 3.33Å; A86-V88 PolarHBondContact O-N 2.99Å |
| 89 | T | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -82.5 | 135.4 | 178.4 | -63 | 0 | 0 | 0 | 0 | 110.4 | N50 V85 A86 L87 V93 F94 K97 | N50-T89 PolarHBondContact ND2-O 2.83Å; V85-T89 PolarHBondContact O-N 3.29Å; V85-T89 PolarHBondContact O-OG1 3.37Å; A86-T89 WeakPolarHBondContact O-CB 3.36Å; A86-T89 PolarHBondContact O-N 3.38Å; A86-T89 VanDerWaalsContact O-N 3.12Å; L87-T89 VanDerWaalsContact C-N 3.32Å; T89-V93 HydrophobicContact CG2-CB 3.93Å; T89-V93 HydrophobicContact CG2-CG1 3.76Å; T89-F94 HydrophobicContact CG2-CB 3.85Å; T89-K97 HydrophobicContact CG2-CD 4.41Å |
| 90 | P | 98.8 | Very high | 98.8 | Very high | 48 Ų | 48 | 21.6 Ų | 21.6 | 31% | 0.312 | 11% | 0.113 | S | C | . | . | trans | -56.3 | 142.8 | 172.4 | -24.2 | 30.5 | 0 | 0 | 0 | 112.2 | A92 V93 F94 | P90-A92 PolarHBondContact O-N 2.8Å; P90-V93 HydrophobicContact CB-CB 4.23Å; P90-V93 HydrophobicContact CB-CG2 4.08Å; P90-V93 HydrophobicContact CG-CB 4.5Å; P90-V93 HydrophobicContact CG-CG2 4.28Å; P90-V93 CarbonylContact O-C 3.56Å; P90-V93 WeakPolarHBondContact O-CA 3.35Å; P90-V93 WeakPolarHBondContact O-CB 3.48Å; P90-V93 PolarHBondContact O-N 3.08Å; P90-F94 PolarHBondContact O-N 3.4Å | ||
| 91 | P | 98.8 | Very high | 98.7 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 23% | 0.234 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | -169.5 | -27.9 | 37.2 | 0 | 0 | 0 | 114.2 | W5 N50 V93 F94 D95 | W5-P91 HydrophobicContact CB-CB 4.06Å; W5-P91 HydrophobicContact CB-CG 3.97Å; W5-P91 HydrophobicContact CD2-CB 3.44Å; W5-P91 VanDerWaalsContact CD2-CB 3.44Å; W5-P91 HydrophobicContact CD2-CG 4.28Å; W5-P91 HydrophobicContact CE3-CB 3.42Å; W5-P91 VanDerWaalsContact CE3-CB 3.42Å; W5-P91 HydrophobicContact CG-CB 3.73Å; W5-P91 HydrophobicContact CG-CG 4.03Å; W5-P91 HydrophobicContact CZ3-CB 3.99Å; N50-P91 WeakPolarHBondContact OD1-CD 3.28Å; P91-V93 VanDerWaalsContact C-N 3.28Å; P91-V93 PolarHBondContact O-N 2.69Å; P91-F94 WeakPolarHBondContact O-CB 3.38Å; P91-F94 PolarHBondContact O-N 3.23Å; P91-F94 VanDerWaalsContact O-N 3.14Å; P91-D95 PolarHBondContact O-N 3.42Å |
| 92 | A | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 23.9 Ų | 23.9 | 10% | 0.099 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.1 | -36.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | W5 P90 A96 E127 A131 | W5-A92 HydrophobicContact CH2-CB 4.34Å; W5-A92 HydrophobicContact CZ2-CB 3.61Å; P90-A92 PolarHBondContact O-N 2.8Å; A92-A96 VanDerWaalsContact O-CB 3.31Å; A92-A96 WeakPolarHBondContact O-CB 3.21Å; A92-A96 PolarHBondContact O-N 3.22Å; A92-E127 HydrophobicContact CB-CB 3.98Å; A92-A131 HydrophobicContact CB-CB 3.96Å |
| 93 | V | 98.9 | Very high | 98.6 | Very high | 33 Ų | 33 | 20.2 Ų | 20.2 | 20% | 0.2 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -72.6 | -36.1 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | T89 P90 P91 K97 A131 V135 | T89-V93 HydrophobicContact CG2-CB 3.93Å; T89-V93 HydrophobicContact CG2-CG1 3.76Å; P90-V93 HydrophobicContact CB-CB 4.23Å; P90-V93 HydrophobicContact CB-CG2 4.08Å; P90-V93 HydrophobicContact CG-CB 4.5Å; P90-V93 HydrophobicContact CG-CG2 4.28Å; P90-V93 CarbonylContact O-C 3.56Å; P90-V93 WeakPolarHBondContact O-CA 3.35Å; P90-V93 WeakPolarHBondContact O-CB 3.48Å; P90-V93 PolarHBondContact O-N 3.08Å; P91-V93 VanDerWaalsContact C-N 3.28Å; P91-V93 PolarHBondContact O-N 2.69Å; V93-K97 HydrophobicContact CG1-CD 4.28Å; V93-K97 VanDerWaalsContact O-CG 3.29Å; V93-K97 WeakPolarHBondContact O-CG 3.44Å; V93-K97 PolarHBondContact O-N 3.49Å; V93-A131 HydrophobicContact CG2-CB 4.06Å; V93-V135 HydrophobicContact CG1-CG2 4.16Å |
| 94 | F | 98.9 | Very high | 98.3 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 5% | 0.048 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -51.5 | 175.4 | 178.6 | -110.6 | 0 | 0 | 0 | 110.2 | A86 T89 P90 P91 A96 K97 Q98 R274 V277 | A86-F94 HydrophobicContact CB-CD2 3.91Å; A86-F94 HydrophobicContact CB-CE2 3.35Å; A86-F94 HydrophobicContact CB-CZ 4Å; T89-F94 HydrophobicContact CG2-CB 3.85Å; P90-F94 PolarHBondContact O-N 3.4Å; P91-F94 WeakPolarHBondContact O-CB 3.38Å; P91-F94 PolarHBondContact O-N 3.23Å; P91-F94 VanDerWaalsContact O-N 3.14Å; F94-A96 PolarHBondContact O-N 2.93Å; F94-K97 WeakPolarHBondContact O-CB 3.49Å; F94-K97 PolarHBondContact O-N 3.45Å; F94-K97 VanDerWaalsContact O-N 3.11Å; F94-Q98 HydrophobicContact CD1-CG 4.29Å; F94-Q98 HydrophobicContact CD2-CG 4.48Å; F94-Q98 HydrophobicContact CE1-CG 3.96Å; F94-Q98 HydrophobicContact CE2-CG 4.13Å; F94-Q98 VanDerWaalsContact CE2-NE2 3.29Å; F94-Q98 HydrophobicContact CZ-CG 3.87Å; F94-Q98 WeakPolarHBondContact O-CG 3.4Å; F94-Q98 PolarHBondContact O-N 3.31Å; F94-R274 HydrophobicContact CE1-CG 4.27Å; F94-R274 HydrophobicContact CZ-CB 4.45Å; F94-V277 HydrophobicContact CD1-CG1 4.47Å; F94-V277 HydrophobicContact CE1-CB 4.26Å; F94-V277 HydrophobicContact CE1-CG1 4.25Å; F94-V277 HydrophobicContact CZ-CB 4.34Å; F94-V277 HydrophobicContact CZ-CG1 4.46Å |
| 95 | D | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.5 | -78.9 | -0.5 | 0 | 0 | 0 | 112.3 | W5 P91 K97 Q98 L99 R120 I128 | W5-D95 WeakPolarHBondContact CZ3-OD2 3.45Å; P91-D95 PolarHBondContact O-N 3.42Å; D95-K97 VanDerWaalsContact C-N 3.29Å; D95-K97 PolarHBondContact O-N 3.11Å; D95-Q98 PolarHBondContact O-N 2.9Å; D95-Q98 VanDerWaalsContact O-N 3.14Å; D95-L99 WeakPolarHBondContact O-CG 3.38Å; D95-L99 PolarHBondContact O-N 3.24Å; D95-R120 IonicContact OD1-CZ 3.65Å; D95-R120 IonicContact OD1-NE 3.92Å; D95-R120 IonicContact OD1-NH2 2.74Å; D95-R120 PolarHBondContact OD1-NH2 3.32Å; D95-R120 IonicContact OD2-CZ 3.77Å; D95-R120 IonicContact OD2-NE 3.91Å; D95-R120 PolarHBondContact OD2-NE 2.86Å; D95-R120 IonicContact OD2-NH2 3.79Å; D95-R120 PolarHBondContact OD2-NH2 2.59Å; D95-R120 VanDerWaalsContact OD2-NH2 3.13Å; D95-I128 HydrophobicContact CB-CD1 3.8Å; D95-I128 HydrophobicContact CB-CG1 3.77Å |
| 96 | A | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A92 F94 K100 I128 A131 Y132 | A92-A96 VanDerWaalsContact O-CB 3.31Å; A92-A96 WeakPolarHBondContact O-CB 3.21Å; A92-A96 PolarHBondContact O-N 3.22Å; F94-A96 PolarHBondContact O-N 2.93Å; A96-K100 PolarHBondContact O-N 3.38Å; A96-I128 HydrophobicContact CB-CG2 4.48Å; A96-A131 HydrophobicContact CB-CB 4.22Å; A96-Y132 HydrophobicContact CB-CD2 3.88Å; A96-Y132 HydrophobicContact CB-CG 4.37Å; A96-Y132 WeakPolarHBondContact O-CD2 3.4Å; A96-Y132 WeakPolarHBondContact O-CE2 3.5Å |
| 97 | K | 98.8 | Very high | 96.6 | Very high | 59 Ų | 59 | 38 Ų | 38 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 174.9 | -72.6 | 169.5 | -179.4 | 169.2 | 0 | 112.5 | T89 V93 F94 D95 K100 K101 Y136 | T89-K97 HydrophobicContact CG2-CD 4.41Å; V93-K97 HydrophobicContact CG1-CD 4.28Å; V93-K97 VanDerWaalsContact O-CG 3.29Å; V93-K97 WeakPolarHBondContact O-CG 3.44Å; V93-K97 PolarHBondContact O-N 3.49Å; F94-K97 WeakPolarHBondContact O-CB 3.49Å; F94-K97 PolarHBondContact O-N 3.45Å; F94-K97 VanDerWaalsContact O-N 3.11Å; D95-K97 VanDerWaalsContact C-N 3.29Å; D95-K97 PolarHBondContact O-N 3.11Å; K97-K100 PolarHBondContact O-N 2.98Å; K97-K101 VanDerWaalsContact O-CB 3.24Å; K97-K101 WeakPolarHBondContact O-CB 3.47Å; K97-K101 PolarHBondContact O-N 3.26Å; K97-Y136 WeakPolarHBondContact CA-OH 3.13Å; K97-Y136 WeakPolarHBondContact CG-OH 3.35Å |
| 98 | Q | 98.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 13% | 0.131 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.5 | -66.6 | -60 | -47.9 | 0 | 0 | 111 | F94 D95 K101 S102 I116 R274 | F94-Q98 HydrophobicContact CD1-CG 4.29Å; F94-Q98 HydrophobicContact CD2-CG 4.48Å; F94-Q98 HydrophobicContact CE1-CG 3.96Å; F94-Q98 HydrophobicContact CE2-CG 4.13Å; F94-Q98 VanDerWaalsContact CE2-NE2 3.29Å; F94-Q98 HydrophobicContact CZ-CG 3.87Å; F94-Q98 WeakPolarHBondContact O-CG 3.4Å; F94-Q98 PolarHBondContact O-N 3.31Å; D95-Q98 PolarHBondContact O-N 2.9Å; D95-Q98 VanDerWaalsContact O-N 3.14Å; Q98-K101 PolarHBondContact O-N 3.48Å; Q98-S102 PolarHBondContact O-N 2.92Å; Q98-S102 PolarHBondContact O-OG 2.68Å; Q98-I116 HydrophobicContact CB-CD1 3.71Å; Q98-R274 HydrophobicContact CG-CG 4.02Å |
| 99 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 174.1 | -71.4 | 167.7 | 0 | 0 | 0 | 111.9 | D95 K101 S102 M103 L113 I116 L117 I128 Y132 L140 | D95-L99 WeakPolarHBondContact O-CG 3.38Å; D95-L99 PolarHBondContact O-N 3.24Å; L99-K101 VanDerWaalsContact C-N 3.28Å; L99-K101 PolarHBondContact O-N 3.45Å; L99-S102 PolarHBondContact O-N 3.3Å; L99-S102 PolarHBondContact O-OG 2.94Å; L99-M103 HydrophobicContact CB-CE 4.49Å; L99-M103 VanDerWaalsContact O-CE 3.26Å; L99-M103 WeakPolarHBondContact O-CE 3.31Å; L99-M103 PolarHBondContact O-N 2.98Å; L99-L113 HydrophobicContact CD2-CD2 3.69Å; L99-I116 HydrophobicContact CD1-CG2 4.14Å; L99-I116 HydrophobicContact CD2-CB 3.99Å; L99-I116 HydrophobicContact CD2-CD1 3.83Å; L99-I116 HydrophobicContact CD2-CG2 3.91Å; L99-I116 HydrophobicContact CG-CD1 3.88Å; L99-I116 HydrophobicContact CG-CG2 4.05Å; L99-L117 HydrophobicContact CD2-CG 4.47Å; L99-I128 HydrophobicContact CD1-CG2 3.57Å; L99-Y132 HydrophobicContact CB-CD2 4.5Å; L99-Y132 HydrophobicContact CB-CE2 4.1Å; L99-L140 HydrophobicContact CB-CD1 4.1Å; L99-L140 HydrophobicContact CD1-CD1 3.91Å; L99-L140 HydrophobicContact CD1-CD2 3.8Å; L99-L140 HydrophobicContact CG-CD1 4.47Å |
| 100 | K | 98.5 | Very high | 96.3 | Very high | 54 Ų | 54 | 44 Ų | 44 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176 | -177.1 | 64.6 | -177.8 | 170.6 | 0 | 111.2 | A96 K97 M103 K104 Y132 Y136 D143 | A96-K100 PolarHBondContact O-N 3.38Å; K97-K100 PolarHBondContact O-N 2.98Å; K100-M103 CarbonylContact O-C 3.54Å; K100-M103 PolarHBondContact O-N 3.32Å; K100-K104 WeakPolarHBondContact O-CB 3.49Å; K100-K104 PolarHBondContact O-N 3.45Å; K100-Y132 HydrophobicContact CB-CE2 3.95Å; K100-Y132 WeakPolarHBondContact CD-OH 3.4Å; K100-Y136 HydrophobicContact CB-CD2 4.31Å; K100-Y136 HydrophobicContact CB-CE1 4.16Å; K100-Y136 HydrophobicContact CB-CE2 3.53Å; K100-Y136 VanDerWaalsContact CB-CZ 3.44Å; K100-Y136 WeakPolarHBondContact CB-OH 3.49Å; K100-Y136 HydrophobicContact CD-CD1 4.45Å; K100-Y136 HydrophobicContact CD-CE1 4.4Å; K100-Y136 HydrophobicContact CG-CD1 4.23Å; K100-Y136 HydrophobicContact CG-CD2 4.44Å; K100-Y136 HydrophobicContact CG-CE1 3.7Å; K100-Y136 HydrophobicContact CG-CE2 3.94Å; K100-D143 VanDerWaalsContact NZ-CG 3.31Å; K100-D143 IonicContact NZ-OD1 2.79Å; K100-D143 PolarHBondContact NZ-OD1 3.31Å; K100-D143 IonicContact NZ-OD2 3.79Å; K100-D143 PolarHBondContact NZ-OD2 3.37Å |
| 101 | K | 97.7 | Very high | 96.2 | Very high | 93 Ų | 93 | 45 Ų | 45 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | -179.3 | -175.1 | 173.5 | 179.4 | 176 | 0 | 112.1 | K97 Q98 L99 M103 K104 F270 | K97-K101 VanDerWaalsContact O-CB 3.24Å; K97-K101 WeakPolarHBondContact O-CB 3.47Å; K97-K101 PolarHBondContact O-N 3.26Å; Q98-K101 PolarHBondContact O-N 3.48Å; L99-K101 VanDerWaalsContact C-N 3.28Å; L99-K101 PolarHBondContact O-N 3.45Å; K101-M103 PolarHBondContact O-N 3.38Å; K101-K104 PolarHBondContact O-N 3.01Å; K101-F270 VanDerWaalsContact NZ-CZ 3.35Å |
| 102 | S | 97.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.6 | -16.6 | 176.2 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | Q98 L99 T108 N109 L113 | Q98-S102 PolarHBondContact O-N 2.92Å; Q98-S102 PolarHBondContact O-OG 2.68Å; L99-S102 PolarHBondContact O-N 3.3Å; L99-S102 PolarHBondContact O-OG 2.94Å; S102-T108 CarbonylContact O-C 3.19Å; S102-T108 WeakPolarHBondContact O-CA 3.49Å; S102-N109 PolarHBondContact O-N 3.1Å; S102-L113 VanDerWaalsContact OG-CD2 3.28Å; S102-L113 WeakPolarHBondContact OG-CD2 3.43Å |
| 103 | M | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 11.6 | 179.9 | -75.2 | -171.6 | -62.9 | 0 | 0 | 112.9 | L99 K100 K101 L113 Y132 L140 D143 I144 E147 | L99-M103 HydrophobicContact CB-CE 4.49Å; L99-M103 VanDerWaalsContact O-CE 3.26Å; L99-M103 WeakPolarHBondContact O-CE 3.31Å; L99-M103 PolarHBondContact O-N 2.98Å; K100-M103 CarbonylContact O-C 3.54Å; K100-M103 PolarHBondContact O-N 3.32Å; K101-M103 PolarHBondContact O-N 3.38Å; M103-L113 HydrophobicContact CE-CD2 4.46Å; M103-L113 HydrophobicContact CG-CD1 4.11Å; M103-L113 HydrophobicContact CG-CD2 4Å; M103-L113 HydrophobicContact CG-CG 4.49Å; M103-L113 HydrophobicContact SD-CD2 4.14Å; M103-Y132 HydrophobicContact CE-CE2 4.39Å; M103-Y132 WeakPolarHBondContact CE-OH 3.3Å; M103-L140 HydrophobicContact CE-CD1 3.88Å; M103-D143 HydrophobicContact CE-CB 3.72Å; M103-D143 HydrophobicContact SD-CB 4.04Å; M103-I144 HydrophobicContact CE-CG1 4.28Å; M103-I144 HydrophobicContact SD-CB 4.46Å; M103-I144 HydrophobicContact SD-CG1 3.85Å; M103-E147 HydrophobicContact CB-CB 4.3Å; M103-E147 HydrophobicContact CB-CG 3.76Å; M103-E147 HydrophobicContact CG-CB 4.08Å; M103-E147 HydrophobicContact CG-CG 4.06Å; M103-E147 HydrophobicContact SD-CB 4.3Å; M103-E147 HydrophobicContact SD-CG 4.31Å |
| 104 | K | 92.4 | Very high | 96.2 | Very high | 166 Ų | 166 | 41.8 Ų | 41.8 | 72% | 0.722 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -104.7 | 124.1 | -174.9 | -173.7 | -174.4 | 177.9 | -172.1 | 0 | 111.1 | K100 K101 | K100-K104 WeakPolarHBondContact O-CB 3.49Å; K100-K104 PolarHBondContact O-N 3.45Å; K101-K104 PolarHBondContact O-N 3.01Å |
| 105 | G | 89.3 | Confident | 96.2 | Very high | 56 Ų | 56 | 41.2 Ų | 41.2 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 110.9 | -162.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G107 | G105-G107 PolarHBondContact O-N 3.07Š|
| 106 | A | 80.9 | Confident | 96.2 | Very high | 122 Ų | 122 | 41.2 Ų | 41.2 | 100% | 1.008 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -83.4 | 89.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 107 | G | 88.8 | Confident | 96.2 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 124.4 | 157.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G105 | G105-G107 PolarHBondContact O-N 3.07Š|
| 108 | T | 95.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 17% | 0.166 | 24% | 0.235 | C | C | . | . | trans | -115.6 | 150.2 | 177.7 | -63.9 | 0 | 0 | 0 | 0 | 108.4 | S102 E110 L113 E147 T148 | S102-T108 CarbonylContact O-C 3.19Å; S102-T108 WeakPolarHBondContact O-CA 3.49Å; T108-E110 WeakPolarHBondContact CB-OE1 3.39Å; T108-E110 HydrophobicContact CG2-CG 4.22Å; T108-L113 HydrophobicContact CG2-CD1 3.55Å; T108-E147 PolarHBondContact OG1-O 3.24Å; T108-T148 HydrophobicContact CG2-CG2 4.43Å | ||
| 109 | N | 97.3 | Very high | 96.2 | Very high | 62 Ų | 62 | 38 Ų | 38 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | trans | -101.9 | 85.6 | 168.3 | -175.1 | -31.4 | 0 | 0 | 0 | 107.9 | S102 D111 A112 L113 | S102-N109 PolarHBondContact O-N 3.1Å; N109-D111 PolarHBondContact O-N 2.95Å; N109-D111 WeakPolarHBondContact OD1-CB 3.49Å; N109-D111 PolarHBondContact OD1-N 3.31Å; N109-A112 HydrophobicContact CB-CB 4.27Å; N109-A112 PolarHBondContact O-N 3.22Å; N109-A112 WeakPolarHBondContact OD1-CB 3.26Å; N109-A112 PolarHBondContact OD1-N 3.23Å; N109-L113 PolarHBondContact O-N 3.05Å | ||
| 110 | E | 98.1 | Very high | 96.2 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 23% | 0.234 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -32 | -177.7 | -64.2 | 82.7 | -174.5 | 0 | 0 | 111.8 | T108 L113 T114 F152 H235 | T108-E110 WeakPolarHBondContact CB-OE1 3.39Å; T108-E110 HydrophobicContact CG2-CG 4.22Å; E110-L113 PolarHBondContact O-N 3.39Å; E110-T114 VanDerWaalsContact O-CB 3.24Å; E110-T114 WeakPolarHBondContact O-CB 3.35Å; E110-T114 PolarHBondContact O-N 3.4Å; E110-T114 PolarHBondContact O-OG1 3.4Å; E110-F152 HydrophobicContact CB-CE1 3.95Å; E110-F152 HydrophobicContact CB-CZ 3.69Å; E110-F152 HydrophobicContact CG-CE1 3.58Å; E110-F152 HydrophobicContact CG-CZ 3.9Å; E110-H235 HydrophobicContact CB-CB 4.45Å; E110-H235 HydrophobicContact CG-CB 4.39Å; E110-H235 IonicContact OE1-NE2 2.73Å; E110-H235 IonicContact OE2-CE1 3.26Å |
| 111 | D | 97.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 39.2 Ų | 39.2 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.2 | -97.6 | 14 | 0 | 0 | 0 | 112.2 | N109 T114 E115 R257 | N109-D111 PolarHBondContact O-N 2.95Å; N109-D111 WeakPolarHBondContact OD1-CB 3.49Å; N109-D111 PolarHBondContact OD1-N 3.31Å; D111-T114 PolarHBondContact O-N 2.89Å; D111-E115 VanDerWaalsContact O-CB 3.27Å; D111-E115 WeakPolarHBondContact O-CB 3.48Å; D111-E115 PolarHBondContact O-N 2.85Å; D111-R257 IonicContact OD2-CZ 2.78Å; D111-R257 IonicContact OD2-NH1 3.7Å; D111-R257 PolarHBondContact OD2-NH1 3.45Å; D111-R257 IonicContact OD2-NH2 3.52Å |
| 112 | A | 98.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70 | -37.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N109 I116 | N109-A112 HydrophobicContact CB-CB 4.27Å; N109-A112 PolarHBondContact O-N 3.22Å; N109-A112 WeakPolarHBondContact OD1-CB 3.26Å; N109-A112 PolarHBondContact OD1-N 3.23Å; A112-I116 VanDerWaalsContact O-CG1 3.29Å; A112-I116 WeakPolarHBondContact O-CG1 3.36Å; A112-I116 PolarHBondContact O-N 2.97Å |
| 113 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -48.8 | 172.7 | -71.6 | 178.4 | 0 | 0 | 0 | 110.9 | L99 S102 M103 T108 N109 E110 I116 L117 T148 L156 | L99-L113 HydrophobicContact CD2-CD2 3.69Å; S102-L113 VanDerWaalsContact OG-CD2 3.28Å; S102-L113 WeakPolarHBondContact OG-CD2 3.43Å; M103-L113 HydrophobicContact CE-CD2 4.46Å; M103-L113 HydrophobicContact CG-CD1 4.11Å; M103-L113 HydrophobicContact CG-CD2 4Å; M103-L113 HydrophobicContact CG-CG 4.49Å; M103-L113 HydrophobicContact SD-CD2 4.14Å; T108-L113 HydrophobicContact CG2-CD1 3.55Å; N109-L113 PolarHBondContact O-N 3.05Å; E110-L113 PolarHBondContact O-N 3.39Å; L113-I116 PolarHBondContact O-N 3.47Å; L113-L117 VanDerWaalsContact O-CB 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.47Å; L113-L117 PolarHBondContact O-N 2.84Å; L113-T148 HydrophobicContact CD1-CG2 4.03Å; L113-L156 HydrophobicContact CB-CD1 4.38Å; L113-L156 HydrophobicContact CB-CD2 4.46Å; L113-L156 HydrophobicContact CD1-CD1 4Å |
| 114 | T | 98.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -49.8 | 178.7 | -65 | 0 | 0 | 0 | 0 | 111 | E110 D111 I116 T118 L239 A242 | E110-T114 VanDerWaalsContact O-CB 3.24Å; E110-T114 WeakPolarHBondContact O-CB 3.35Å; E110-T114 PolarHBondContact O-N 3.4Å; E110-T114 PolarHBondContact O-OG1 3.4Å; D111-T114 PolarHBondContact O-N 2.89Å; T114-I116 PolarHBondContact O-N 3.01Å; T114-T118 HydrophobicContact CG2-CG2 4.36Å; T114-T118 WeakPolarHBondContact O-CB 3.43Å; T114-T118 VanDerWaalsContact O-CG2 3.24Å; T114-T118 WeakPolarHBondContact O-CG2 3.49Å; T114-T118 PolarHBondContact O-N 3.16Å; T114-T118 VanDerWaalsContact O-N 3.07Å; T114-T118 PolarHBondContact O-OG1 2.9Å; T114-L239 HydrophobicContact CG2-CD1 3.9Å; T114-A242 HydrophobicContact CG2-CB 3.35Å |
| 115 | E | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 178.8 | -176.3 | -162.7 | 112.8 | 0 | 0 | 111.7 | D111 T119 F253 L254 R257 R274 I275 | D111-E115 VanDerWaalsContact O-CB 3.27Å; D111-E115 WeakPolarHBondContact O-CB 3.48Å; D111-E115 PolarHBondContact O-N 2.85Å; E115-T119 VanDerWaalsContact O-CB 3.31Å; E115-T119 WeakPolarHBondContact O-CB 3.39Å; E115-T119 WeakPolarHBondContact O-CG2 3.31Å; E115-T119 PolarHBondContact O-N 2.88Å; E115-T119 PolarHBondContact O-OG1 2.99Å; E115-F253 HydrophobicContact CG-CE1 4.27Å; E115-L254 HydrophobicContact CG-CD2 4.06Å; E115-R257 IonicContact OE2-CZ 2.74Å; E115-R257 IonicContact OE2-NE 3.77Å; E115-R257 PolarHBondContact OE2-NE 2.8Å; E115-R257 IonicContact OE2-NH2 3.47Å; E115-R257 PolarHBondContact OE2-NH2 3.46Å; E115-R274 IonicContact OE1-CZ 3.28Å; E115-R274 IonicContact OE1-NE 3.32Å; E115-R274 PolarHBondContact OE1-NE 3.47Å; E115-R274 IonicContact OE1-NH2 2.74Å; E115-R274 PolarHBondContact OE1-NH2 3.38Å; E115-R274 IonicContact OE2-CZ 3.46Å; E115-R274 IonicContact OE2-NE 3.05Å; E115-R274 IonicContact OE2-NH2 3.96Å; E115-R274 PolarHBondContact OE2-NH2 3.26Å; E115-I275 WeakPolarHBondContact OE1-CG1 3.21Å |
| 116 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -49.8 | -177.4 | -63 | 167.2 | 0 | 0 | 0 | 110.7 | Q98 L99 A112 L113 T114 T118 T119 R120 | Q98-I116 HydrophobicContact CB-CD1 3.71Å; L99-I116 HydrophobicContact CD1-CG2 4.14Å; L99-I116 HydrophobicContact CD2-CB 3.99Å; L99-I116 HydrophobicContact CD2-CD1 3.83Å; L99-I116 HydrophobicContact CD2-CG2 3.91Å; L99-I116 HydrophobicContact CG-CD1 3.88Å; L99-I116 HydrophobicContact CG-CG2 4.05Å; A112-I116 VanDerWaalsContact O-CG1 3.29Å; A112-I116 WeakPolarHBondContact O-CG1 3.36Å; A112-I116 PolarHBondContact O-N 2.97Å; L113-I116 PolarHBondContact O-N 3.47Å; T114-I116 PolarHBondContact O-N 3.01Å; I116-T118 VanDerWaalsContact C-N 3.28Å; I116-T118 PolarHBondContact O-N 2.98Å; I116-T119 PolarHBondContact O-N 3.26Å; I116-T119 PolarHBondContact O-OG1 3.28Å; I116-R120 HydrophobicContact CG2-CG 4.38Å; I116-R120 WeakPolarHBondContact O-CB 3.44Å; I116-R120 VanDerWaalsContact O-CD 3.3Å; I116-R120 WeakPolarHBondContact O-CD 3.33Å; I116-R120 PolarHBondContact O-N 2.98Å |
| 117 | L | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.5 | -19.9 | -171.9 | -70.6 | 167.9 | 0 | 0 | 0 | 113.8 | L99 L113 M125 I144 L156 L159 A160 | L99-L117 HydrophobicContact CD2-CG 4.47Å; L113-L117 VanDerWaalsContact O-CB 3.31Å; L113-L117 WeakPolarHBondContact O-CB 3.32Å; L113-L117 WeakPolarHBondContact O-CG 3.47Å; L113-L117 PolarHBondContact O-N 2.84Å; L117-M125 HydrophobicContact CD2-CE 3.35Å; L117-M125 HydrophobicContact CD2-SD 3.87Å; L117-I144 HydrophobicContact CD1-CD1 4.1Å; L117-L156 HydrophobicContact CD1-CB 4.04Å; L117-L156 HydrophobicContact CD1-CD2 3.56Å; L117-L156 HydrophobicContact CD1-CG 4.27Å; L117-L159 HydrophobicContact CB-CB 4.05Å; L117-L159 HydrophobicContact CB-CD1 4Å; L117-L159 HydrophobicContact CD2-CB 4.41Å; L117-A160 HydrophobicContact CD2-CB 4.22Å |
| 118 | T | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -92.7 | -22.7 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | T114 I116 L159 L239 A242 I243 | T114-T118 HydrophobicContact CG2-CG2 4.36Å; T114-T118 WeakPolarHBondContact O-CB 3.43Å; T114-T118 VanDerWaalsContact O-CG2 3.24Å; T114-T118 WeakPolarHBondContact O-CG2 3.49Å; T114-T118 PolarHBondContact O-N 3.16Å; T114-T118 VanDerWaalsContact O-N 3.07Å; T114-T118 PolarHBondContact O-OG1 2.9Å; I116-T118 VanDerWaalsContact C-N 3.28Å; I116-T118 PolarHBondContact O-N 2.98Å; T118-L159 HydrophobicContact CG2-CD1 4.22Å; T118-L239 HydrophobicContact CG2-CD1 3.61Å; T118-A242 HydrophobicContact CG2-CB 4.14Å; T118-I243 HydrophobicContact CG2-CG1 3.55Å |
| 119 | T | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -101.2 | -13.1 | -174.6 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | E115 I116 T250 F253 L254 | E115-T119 VanDerWaalsContact O-CB 3.31Å; E115-T119 WeakPolarHBondContact O-CB 3.39Å; E115-T119 WeakPolarHBondContact O-CG2 3.31Å; E115-T119 PolarHBondContact O-N 2.88Å; E115-T119 PolarHBondContact O-OG1 2.99Å; I116-T119 PolarHBondContact O-N 3.26Å; I116-T119 PolarHBondContact O-OG1 3.28Å; T119-T250 HydrophobicContact CG2-CG2 3.98Å; T119-F253 HydrophobicContact CG2-CD1 3.77Å; T119-F253 HydrophobicContact CG2-CE1 3.66Å; T119-L254 HydrophobicContact CG2-CD1 4.41Å; T119-L254 HydrophobicContact CG2-CD2 4Å; T119-L254 HydrophobicContact CG2-CG 4.25Å |
| 120 | R | 98.7 | Very high | 98.5 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 6% | 0.06 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -88.8 | 142.5 | 177.1 | -84.5 | 45.8 | 170.3 | -160.9 | 1 | 110.8 | D95 I116 Q124 M125 I128 S278 | D95-R120 IonicContact OD1-CZ 3.65Å; D95-R120 IonicContact OD1-NE 3.92Å; D95-R120 IonicContact OD1-NH2 2.74Å; D95-R120 PolarHBondContact OD1-NH2 3.32Å; D95-R120 IonicContact OD2-CZ 3.77Å; D95-R120 IonicContact OD2-NE 3.91Å; D95-R120 PolarHBondContact OD2-NE 2.86Å; D95-R120 IonicContact OD2-NH2 3.79Å; D95-R120 PolarHBondContact OD2-NH2 2.59Å; D95-R120 VanDerWaalsContact OD2-NH2 3.13Å; I116-R120 HydrophobicContact CG2-CG 4.38Å; I116-R120 WeakPolarHBondContact O-CB 3.44Å; I116-R120 VanDerWaalsContact O-CD 3.3Å; I116-R120 WeakPolarHBondContact O-CD 3.33Å; I116-R120 PolarHBondContact O-N 2.98Å; R120-Q124 HydrophobicContact CB-CB 4.14Å; R120-Q124 HydrophobicContact CG-CB 4.21Å; R120-M125 HydrophobicContact CB-CG 3.99Å; R120-M125 HydrophobicContact CB-SD 3.63Å; R120-M125 HydrophobicContact CG-SD 4.26Å; R120-I128 HydrophobicContact CB-CD1 4.29Å; R120-I128 HydrophobicContact CG-CD1 3.62Å; R120-S278 PolarHBondContact NH2-OG 3.43Å |
| 121 | T | 98.5 | Very high | 98.6 | Very high | 65 Ų | 65 | 33.8 Ų | 33.8 | 40% | 0.399 | 17% | 0.166 | S | C | . | . | trans | -73.5 | 164 | 174.6 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | R123 Q124 M125 | T121-R123 PolarHBondContact O-N 3.02Å; T121-Q124 PolarHBondContact O-N 2.82Å; T121-Q124 VanDerWaalsContact O-N 3.14Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.13Å; T121-Q124 PolarHBondContact OG1-N 3.13Å; T121-Q124 VanDerWaalsContact OG1-N 3.17Å; T121-M125 WeakPolarHBondContact O-CG 3.43Å; T121-M125 PolarHBondContact O-N 3.42Å | ||
| 122 | S | 98.3 | Very high | 98.6 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 8% | 0.077 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -38.4 | 175.5 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | M125 K126 G162 R164 E166 | S122-M125 PolarHBondContact O-N 3.32Å; S122-K126 WeakPolarHBondContact O-CG 3.36Å; S122-K126 PolarHBondContact O-N 2.74Å; S122-K126 VanDerWaalsContact O-N 3.1Å; S122-G162 VanDerWaalsContact CB-O 3.28Å; S122-G162 WeakPolarHBondContact CB-O 3.46Å; S122-R164 WeakPolarHBondContact OG-CA 3.45Å; S122-R164 WeakPolarHBondContact OG-CB 3.12Å; S122-R164 PolarHBondContact OG-N 3.4Å; S122-R164 VanDerWaalsContact OG-N 3.15Å; S122-R164 PolarHBondContact OG-O 3.09Å; S122-E166 WeakPolarHBondContact CA-OE1 3.31Å; S122-E166 WeakPolarHBondContact CB-OE1 3.24Å; S122-E166 PolarHBondContact N-OE1 3.24Å |
| 123 | R | 97.9 | Very high | 98.7 | Very high | 122 Ų | 122 | 36.3 Ų | 36.3 | 46% | 0.46 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 174.3 | -70.9 | 174.7 | 70.8 | -176 | -1 | 112.7 | I4 T121 M125 K126 E127 E166 | I4-R123 HydrophobicContact CD1-CB 3.82Å; I4-R123 WeakPolarHBondContact CD1-O 3.21Å; I4-R123 HydrophobicContact CG2-CB 4.29Å; T121-R123 PolarHBondContact O-N 3.02Å; R123-M125 VanDerWaalsContact C-N 3.34Å; R123-K126 PolarHBondContact O-N 3.43Å; R123-E127 PolarHBondContact O-N 3.17Å; R123-E166 VanDerWaalsContact CD-OE2 3.29Å; R123-E166 WeakPolarHBondContact CD-OE2 3.41Å; R123-E166 VanDerWaalsContact CG-OE2 3.28Å; R123-E166 WeakPolarHBondContact CG-OE2 3.34Å; R123-E166 PolarHBondContact N-OE1 2.89Å |
| 124 | Q | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 40 Ų | 40 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 175.9 | -74.4 | 170.8 | -20.1 | 0 | 0 | 110.8 | I4 W5 R120 T121 K126 E127 I128 | I4-Q124 HydrophobicContact CD1-CG 4.1Å; I4-Q124 HydrophobicContact CG1-CG 4.3Å; I4-Q124 PolarHBondContact O-NE2 3.08Å; W5-Q124 HydrophobicContact CD2-CG 4.11Å; W5-Q124 HydrophobicContact CE3-CG 4.03Å; W5-Q124 HydrophobicContact CH2-CB 3.79Å; W5-Q124 HydrophobicContact CH2-CG 3.96Å; W5-Q124 HydrophobicContact CZ2-CB 3.94Å; W5-Q124 HydrophobicContact CZ2-CG 4.01Å; W5-Q124 HydrophobicContact CZ3-CB 4.21Å; W5-Q124 HydrophobicContact CZ3-CG 3.97Å; R120-Q124 HydrophobicContact CB-CB 4.14Å; R120-Q124 HydrophobicContact CG-CB 4.21Å; T121-Q124 PolarHBondContact O-N 2.82Å; T121-Q124 VanDerWaalsContact O-N 3.14Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.13Å; T121-Q124 PolarHBondContact OG1-N 3.13Å; T121-Q124 VanDerWaalsContact OG1-N 3.17Å; Q124-K126 VanDerWaalsContact C-N 3.3Å; Q124-K126 PolarHBondContact O-N 3.42Å; Q124-E127 PolarHBondContact O-N 2.91Å; Q124-E127 VanDerWaalsContact O-N 3.13Å; Q124-I128 VanDerWaalsContact O-CG1 3.28Å; Q124-I128 WeakPolarHBondContact O-CG1 3.17Å; Q124-I128 PolarHBondContact O-N 3.44Å |
| 125 | M | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.02 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -36.6 | 177.8 | -74.8 | -48.6 | -49.6 | 0 | 0 | 113.2 | L117 R120 T121 S122 R123 I128 S129 L140 | L117-M125 HydrophobicContact CD2-CE 3.35Å; L117-M125 HydrophobicContact CD2-SD 3.87Å; R120-M125 HydrophobicContact CB-CG 3.99Å; R120-M125 HydrophobicContact CB-SD 3.63Å; R120-M125 HydrophobicContact CG-SD 4.26Å; T121-M125 WeakPolarHBondContact O-CG 3.43Å; T121-M125 PolarHBondContact O-N 3.42Å; S122-M125 PolarHBondContact O-N 3.32Å; R123-M125 VanDerWaalsContact C-N 3.34Å; M125-I128 HydrophobicContact CE-CB 4.43Å; M125-I128 HydrophobicContact CE-CD1 4.38Å; M125-I128 HydrophobicContact CE-CG2 4.37Å; M125-I128 PolarHBondContact O-N 2.78Å; M125-I128 HydrophobicContact SD-CD1 3.68Å; M125-S129 WeakPolarHBondContact O-CB 3.37Å; M125-S129 PolarHBondContact O-N 3.19Å; M125-S129 PolarHBondContact O-OG 3.35Å; M125-L140 HydrophobicContact CE-CD2 3.97Å |
| 126 | K | 98.6 | Very high | 98.6 | Very high | 126 Ų | 126 | 45.9 Ų | 45.9 | 55% | 0.548 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 173.7 | -71.8 | 172.4 | -176.6 | 177.3 | 0 | 112.2 | S122 R123 Q124 S129 Q130 G162 | S122-K126 WeakPolarHBondContact O-CG 3.36Å; S122-K126 PolarHBondContact O-N 2.74Å; S122-K126 VanDerWaalsContact O-N 3.1Å; R123-K126 PolarHBondContact O-N 3.43Å; Q124-K126 VanDerWaalsContact C-N 3.3Å; Q124-K126 PolarHBondContact O-N 3.42Å; K126-S129 PolarHBondContact O-N 3.46Å; K126-Q130 PolarHBondContact O-N 3.12Å; K126-Q130 VanDerWaalsContact O-N 3.08Å; K126-G162 VanDerWaalsContact CE-O 3.28Å; K126-G162 WeakPolarHBondContact CE-O 3.46Å |
| 127 | E | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 52.9 Ų | 52.9 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 176.3 | -69.9 | -169.1 | -164.7 | 0 | 0 | 112.2 | I4 W5 A92 R123 Q124 Q130 A131 | I4-E127 VanDerWaalsContact CD1-CD 3.41Å; I4-E127 HydrophobicContact CD1-CG 3.97Å; I4-E127 WeakPolarHBondContact CD1-OE1 3.44Å; W5-E127 HydrophobicContact CZ2-CB 4.18Å; W5-E127 PolarHBondContact NE1-OE2 2.88Å; A92-E127 HydrophobicContact CB-CB 3.98Å; R123-E127 PolarHBondContact O-N 3.17Å; Q124-E127 PolarHBondContact O-N 2.91Å; Q124-E127 VanDerWaalsContact O-N 3.13Å; E127-Q130 PolarHBondContact O-N 3.28Å; E127-A131 VanDerWaalsContact O-CB 3.31Å; E127-A131 WeakPolarHBondContact O-CB 3.32Å; E127-A131 PolarHBondContact O-N 3.49Å |
| 128 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 173.6 | -69.1 | 162.3 | 0 | 0 | 0 | 110.5 | W5 D95 A96 L99 R120 Q124 M125 Q130 A131 Y132 L140 | W5-I128 HydrophobicContact CH2-CD1 3.82Å; W5-I128 HydrophobicContact CH2-CG1 3.7Å; W5-I128 HydrophobicContact CZ2-CG1 4.13Å; D95-I128 HydrophobicContact CB-CD1 3.8Å; D95-I128 HydrophobicContact CB-CG1 3.77Å; A96-I128 HydrophobicContact CB-CG2 4.48Å; L99-I128 HydrophobicContact CD1-CG2 3.57Å; R120-I128 HydrophobicContact CB-CD1 4.29Å; R120-I128 HydrophobicContact CG-CD1 3.62Å; Q124-I128 VanDerWaalsContact O-CG1 3.28Å; Q124-I128 WeakPolarHBondContact O-CG1 3.17Å; Q124-I128 PolarHBondContact O-N 3.44Å; M125-I128 HydrophobicContact CE-CB 4.43Å; M125-I128 HydrophobicContact CE-CD1 4.38Å; M125-I128 HydrophobicContact CE-CG2 4.37Å; M125-I128 PolarHBondContact O-N 2.78Å; M125-I128 HydrophobicContact SD-CD1 3.68Å; I128-Q130 VanDerWaalsContact C-N 3.28Å; I128-Q130 PolarHBondContact O-N 2.81Å; I128-A131 PolarHBondContact O-N 2.83Å; I128-A131 VanDerWaalsContact O-N 3.13Å; I128-Y132 VanDerWaalsContact O-CB 3.32Å; I128-Y132 WeakPolarHBondContact O-CB 3.45Å; I128-Y132 PolarHBondContact O-N 3.13Å; I128-L140 HydrophobicContact CG2-CD2 4.39Å |
| 129 | S | 98.6 | Very high | 98.5 | Very high | 37 Ų | 37 | 58.1 Ų | 58.1 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 179.7 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | M125 K126 Y133 A160 | M125-S129 WeakPolarHBondContact O-CB 3.37Å; M125-S129 PolarHBondContact O-N 3.19Å; M125-S129 PolarHBondContact O-OG 3.35Å; K126-S129 PolarHBondContact O-N 3.46Å; S129-Y133 PolarHBondContact O-N 2.85Å; S129-Y133 VanDerWaalsContact O-N 3.09Å; S129-A160 PolarHBondContact OG-O 3.46Å |
| 130 | Q | 98.7 | Very high | 98.5 | Very high | 119 Ų | 119 | 57.7 Ų | 57.7 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 173.8 | -176.6 | 58.6 | 63.5 | 0 | 0 | 112.2 | K126 E127 I128 Y132 Y133 T134 | K126-Q130 PolarHBondContact O-N 3.12Å; K126-Q130 VanDerWaalsContact O-N 3.08Å; E127-Q130 PolarHBondContact O-N 3.28Å; I128-Q130 VanDerWaalsContact C-N 3.28Å; I128-Q130 PolarHBondContact O-N 2.81Å; Q130-Y132 VanDerWaalsContact C-N 3.34Å; Q130-Y132 PolarHBondContact O-N 2.96Å; Q130-Y133 PolarHBondContact O-N 3.41Å; Q130-T134 PolarHBondContact NE2-OG1 2.75Å; Q130-T134 WeakPolarHBondContact O-CB 3.3Å; Q130-T134 PolarHBondContact O-N 3.27Å; Q130-T134 PolarHBondContact O-OG1 3.18Å |
| 131 | A | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 58 Ų | 58 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | A92 V93 A96 E127 I128 T134 V135 | A92-A131 HydrophobicContact CB-CB 3.96Å; V93-A131 HydrophobicContact CG2-CB 4.06Å; A96-A131 HydrophobicContact CB-CB 4.22Å; E127-A131 VanDerWaalsContact O-CB 3.31Å; E127-A131 WeakPolarHBondContact O-CB 3.32Å; E127-A131 PolarHBondContact O-N 3.49Å; I128-A131 PolarHBondContact O-N 2.83Å; I128-A131 VanDerWaalsContact O-N 3.13Å; A131-T134 PolarHBondContact O-N 2.9Å; A131-V135 WeakPolarHBondContact O-CB 3.42Å; A131-V135 VanDerWaalsContact O-CG2 3.26Å; A131-V135 WeakPolarHBondContact O-CG2 3.5Å; A131-V135 PolarHBondContact O-N 2.97Å |
| 132 | Y | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -50 | 176.7 | -159.9 | -79.8 | 0 | 0 | 0 | 111.1 | A96 L99 K100 M103 I128 Q130 T134 V135 Y136 K138 L140 D143 | A96-Y132 HydrophobicContact CB-CD2 3.88Å; A96-Y132 HydrophobicContact CB-CG 4.37Å; A96-Y132 WeakPolarHBondContact O-CD2 3.4Å; A96-Y132 WeakPolarHBondContact O-CE2 3.5Å; L99-Y132 HydrophobicContact CB-CD2 4.5Å; L99-Y132 HydrophobicContact CB-CE2 4.1Å; K100-Y132 HydrophobicContact CB-CE2 3.95Å; K100-Y132 WeakPolarHBondContact CD-OH 3.4Å; M103-Y132 HydrophobicContact CE-CE2 4.39Å; M103-Y132 WeakPolarHBondContact CE-OH 3.3Å; I128-Y132 VanDerWaalsContact O-CB 3.32Å; I128-Y132 WeakPolarHBondContact O-CB 3.45Å; I128-Y132 PolarHBondContact O-N 3.13Å; Q130-Y132 VanDerWaalsContact C-N 3.34Å; Q130-Y132 PolarHBondContact O-N 2.96Å; Y132-T134 VanDerWaalsContact C-N 3.35Å; Y132-T134 PolarHBondContact O-N 3.22Å; Y132-V135 PolarHBondContact O-N 3.37Å; Y132-Y136 AromaticContact CD1-CD2 3.75Å; Y132-Y136 HydrophobicContact CD1-CD2 3.75Å; Y132-Y136 AromaticContact CD2-CD2 3.99Å; Y132-Y136 HydrophobicContact CD2-CD2 3.99Å; Y132-Y136 HydrophobicContact CD2-CE2 4.09Å; Y132-Y136 AromaticContact CE1-CD2 3.75Å; Y132-Y136 HydrophobicContact CE1-CD2 3.75Å; Y132-Y136 HydrophobicContact CE1-CG 4.34Å; Y132-Y136 AromaticContact CE2-CD2 3.98Å; Y132-Y136 HydrophobicContact CE2-CD2 3.98Å; Y132-Y136 HydrophobicContact CE2-CE2 4.03Å; Y132-Y136 AromaticContact CG-CD2 3.87Å; Y132-Y136 HydrophobicContact CG-CD2 3.87Å; Y132-Y136 HydrophobicContact CG-CE2 4.4Å; Y132-Y136 AromaticContact CZ-CD2 3.87Å; Y132-Y136 WeakPolarHBondContact O-CB 3.47Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.31Å; Y132-Y136 PolarHBondContact O-N 3.35Å; Y132-K138 WeakPolarHBondContact CD1-O 3.45Å; Y132-L140 HydrophobicContact CD1-CB 4.12Å; Y132-L140 HydrophobicContact CD2-CB 4.3Å; Y132-L140 HydrophobicContact CD2-CD1 3.89Å; Y132-L140 HydrophobicContact CE2-CD1 3.72Å; Y132-L140 HydrophobicContact CG-CB 4Å; Y132-L140 HydrophobicContact CG-CD1 4.43Å; Y132-D143 WeakPolarHBondContact CE1-OD2 3.46Å; Y132-D143 WeakPolarHBondContact OH-CB 3.46Å; Y132-D143 PolarHBondContact OH-OD2 2.82Å |
| 133 | Y | 98.5 | Very high | 98.5 | Very high | 125 Ų | 125 | 58.7 Ų | 58.7 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.2 | -173.6 | -97.2 | 0 | 0 | 0 | 112 | S129 Q130 V135 K137 | S129-Y133 PolarHBondContact O-N 2.85Å; S129-Y133 VanDerWaalsContact O-N 3.09Å; Q130-Y133 PolarHBondContact O-N 3.41Å; Y133-V135 VanDerWaalsContact C-N 3.32Å; Y133-V135 PolarHBondContact O-N 3.21Å; Y133-K137 VanDerWaalsContact O-CA 3.24Å; Y133-K137 WeakPolarHBondContact O-CA 3.26Å; Y133-K137 PolarHBondContact O-N 3.24Å |
| 134 | T | 98.5 | Very high | 98.5 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 177.6 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | Q130 A131 Y132 K137 | Q130-T134 PolarHBondContact NE2-OG1 2.75Å; Q130-T134 WeakPolarHBondContact O-CB 3.3Å; Q130-T134 PolarHBondContact O-N 3.27Å; Q130-T134 PolarHBondContact O-OG1 3.18Å; A131-T134 PolarHBondContact O-N 2.9Å; Y132-T134 VanDerWaalsContact C-N 3.35Å; Y132-T134 PolarHBondContact O-N 3.22Å; T134-K137 WeakPolarHBondContact O-CE 3.44Å; T134-K137 PolarHBondContact O-NZ 3Å |
| 135 | V | 98.1 | Very high | 98.5 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -78.5 | -41.6 | -175.9 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | V93 A131 Y132 Y133 | V93-V135 HydrophobicContact CG1-CG2 4.16Å; A131-V135 WeakPolarHBondContact O-CB 3.42Å; A131-V135 VanDerWaalsContact O-CG2 3.26Å; A131-V135 WeakPolarHBondContact O-CG2 3.5Å; A131-V135 PolarHBondContact O-N 2.97Å; Y132-V135 PolarHBondContact O-N 3.37Å; Y133-V135 VanDerWaalsContact C-N 3.32Å; Y133-V135 PolarHBondContact O-N 3.21Å |
| 136 | Y | 98.2 | Very high | 98.4 | Very high | 73 Ų | 73 | 58 Ų | 58 | 29% | 0.286 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -110.2 | -9.4 | -169.1 | -59.2 | -62.4 | 0 | 0 | 0 | 114.8 | K97 K100 Y132 K138 | K97-Y136 WeakPolarHBondContact CA-OH 3.13Å; K97-Y136 WeakPolarHBondContact CG-OH 3.35Å; K100-Y136 HydrophobicContact CB-CD2 4.31Å; K100-Y136 HydrophobicContact CB-CE1 4.16Å; K100-Y136 HydrophobicContact CB-CE2 3.53Å; K100-Y136 VanDerWaalsContact CB-CZ 3.44Å; K100-Y136 WeakPolarHBondContact CB-OH 3.49Å; K100-Y136 HydrophobicContact CD-CD1 4.45Å; K100-Y136 HydrophobicContact CD-CE1 4.4Å; K100-Y136 HydrophobicContact CG-CD1 4.23Å; K100-Y136 HydrophobicContact CG-CD2 4.44Å; K100-Y136 HydrophobicContact CG-CE1 3.7Å; K100-Y136 HydrophobicContact CG-CE2 3.94Å; Y132-Y136 AromaticContact CD1-CD2 3.75Å; Y132-Y136 HydrophobicContact CD1-CD2 3.75Å; Y132-Y136 AromaticContact CD2-CD2 3.99Å; Y132-Y136 HydrophobicContact CD2-CD2 3.99Å; Y132-Y136 HydrophobicContact CD2-CE2 4.09Å; Y132-Y136 AromaticContact CE1-CD2 3.75Å; Y132-Y136 HydrophobicContact CE1-CD2 3.75Å; Y132-Y136 HydrophobicContact CE1-CG 4.34Å; Y132-Y136 AromaticContact CE2-CD2 3.98Å; Y132-Y136 HydrophobicContact CE2-CD2 3.98Å; Y132-Y136 HydrophobicContact CE2-CE2 4.03Å; Y132-Y136 AromaticContact CG-CD2 3.87Å; Y132-Y136 HydrophobicContact CG-CD2 3.87Å; Y132-Y136 HydrophobicContact CG-CE2 4.4Å; Y132-Y136 AromaticContact CZ-CD2 3.87Å; Y132-Y136 WeakPolarHBondContact O-CB 3.47Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.31Å; Y132-Y136 PolarHBondContact O-N 3.35Å; Y136-K138 PolarHBondContact O-N 2.82Å; Y136-K138 VanDerWaalsContact O-N 3.1Å |
| 137 | K | 98.2 | Very high | 98.4 | Very high | 147 Ų | 147 | 55.4 Ų | 55.4 | 64% | 0.639 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 54.6 | 25 | -175.9 | -52.2 | -55.7 | -177.1 | -156.5 | 0 | 113.8 | Y133 T134 | Y133-K137 VanDerWaalsContact O-CA 3.24Å; Y133-K137 WeakPolarHBondContact O-CA 3.26Å; Y133-K137 PolarHBondContact O-N 3.24Å; T134-K137 WeakPolarHBondContact O-CE 3.44Å; T134-K137 PolarHBondContact O-NZ 3Å |
| 138 | K | 97.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -137 | 147.2 | 175.3 | -174.9 | 174 | 175.9 | -167.1 | 0 | 107.8 | Y132 Y136 D142 D143 | Y132-K138 WeakPolarHBondContact CD1-O 3.45Å; Y136-K138 PolarHBondContact O-N 2.82Å; Y136-K138 VanDerWaalsContact O-N 3.1Å; K138-D142 HydrophobicContact CD-CB 4.23Å; K138-D142 HydrophobicContact CG-CB 3.88Å; K138-D143 VanDerWaalsContact CD-OD1 3.3Å; K138-D143 WeakPolarHBondContact CD-OD1 3.44Å; K138-D143 WeakPolarHBondContact CE-OD1 3.4Å; K138-D143 IonicContact NZ-OD1 3.32Å; K138-D143 PolarHBondContact NZ-OD1 3.04Å |
| 139 | S | 98.5 | Very high | 98.3 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | trans | -73.4 | 152.6 | 178.2 | 79.8 | 0 | 0 | 0 | 0 | 110.9 | G141 D142 D143 | S139-G141 PolarHBondContact O-N 2.87Å; S139-D142 WeakPolarHBondContact CB-OD2 3.49Å; S139-D142 PolarHBondContact N-OD2 3.47Å; S139-D142 PolarHBondContact O-N 2.93Å; S139-D142 PolarHBondContact OG-N 3.35Å; S139-D142 PolarHBondContact OG-OD1 3.22Å; S139-D142 PolarHBondContact OG-OD2 3.11Å; S139-D143 PolarHBondContact O-N 3.14Å | ||
| 140 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 172.5 | 173 | 60.7 | 0 | 0 | 0 | 110.9 | L99 M103 M125 I128 Y132 D142 D143 I144 A160 | L99-L140 HydrophobicContact CB-CD1 4.1Å; L99-L140 HydrophobicContact CD1-CD1 3.91Å; L99-L140 HydrophobicContact CD1-CD2 3.8Å; L99-L140 HydrophobicContact CG-CD1 4.47Å; M103-L140 HydrophobicContact CE-CD1 3.88Å; M125-L140 HydrophobicContact CE-CD2 3.97Å; I128-L140 HydrophobicContact CG2-CD2 4.39Å; Y132-L140 HydrophobicContact CD1-CB 4.12Å; Y132-L140 HydrophobicContact CD2-CB 4.3Å; Y132-L140 HydrophobicContact CD2-CD1 3.89Å; Y132-L140 HydrophobicContact CE2-CD1 3.72Å; Y132-L140 HydrophobicContact CG-CB 4Å; Y132-L140 HydrophobicContact CG-CD1 4.43Å; L140-D142 VanDerWaalsContact C-N 3.34Å; L140-D142 PolarHBondContact O-N 3.23Å; L140-D143 PolarHBondContact O-N 3.14Å; L140-I144 HydrophobicContact CD1-CD1 3.94Å; L140-I144 HydrophobicContact CD1-CG1 4.14Å; L140-I144 HydrophobicContact CD2-CD1 4.38Å; L140-I144 HydrophobicContact CG-CD1 3.79Å; L140-I144 HydrophobicContact CG-CG1 4.4Å; L140-I144 WeakPolarHBondContact O-CG1 3.45Å; L140-I144 PolarHBondContact O-N 3.37Å; L140-A160 HydrophobicContact CD2-CB 4.09Å; L140-A160 HydrophobicContact CG-CB 4.43Å |
| 141 | G | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S139 D143 I144 S145 L157 | S139-G141 PolarHBondContact O-N 2.87Å; G141-D143 VanDerWaalsContact C-N 3.34Å; G141-D143 PolarHBondContact O-N 2.86Å; G141-I144 PolarHBondContact O-N 2.94Å; G141-S145 WeakPolarHBondContact O-CB 3.48Å; G141-S145 PolarHBondContact O-N 2.76Å; G141-L157 WeakPolarHBondContact O-CD2 3.41Å |
| 142 | D | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66 | -36.3 | 178.9 | -62 | -40.5 | 0 | 0 | 0 | 112.5 | K138 S139 L140 S146 | K138-D142 HydrophobicContact CD-CB 4.23Å; K138-D142 HydrophobicContact CG-CB 3.88Å; S139-D142 WeakPolarHBondContact CB-OD2 3.49Å; S139-D142 PolarHBondContact N-OD2 3.47Å; S139-D142 PolarHBondContact O-N 2.93Å; S139-D142 PolarHBondContact OG-N 3.35Å; S139-D142 PolarHBondContact OG-OD1 3.22Å; S139-D142 PolarHBondContact OG-OD2 3.11Å; L140-D142 VanDerWaalsContact C-N 3.34Å; L140-D142 PolarHBondContact O-N 3.23Å; D142-S146 PolarHBondContact O-N 2.88Å |
| 143 | D | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.8 | -42.3 | 174.9 | -85.2 | -22.6 | 0 | 0 | 0 | 111.2 | K100 M103 Y132 K138 S139 L140 G141 S145 S146 E147 | K100-D143 VanDerWaalsContact NZ-CG 3.31Å; K100-D143 IonicContact NZ-OD1 2.79Å; K100-D143 PolarHBondContact NZ-OD1 3.31Å; K100-D143 IonicContact NZ-OD2 3.79Å; K100-D143 PolarHBondContact NZ-OD2 3.37Å; M103-D143 HydrophobicContact CE-CB 3.72Å; M103-D143 HydrophobicContact SD-CB 4.04Å; Y132-D143 WeakPolarHBondContact CE1-OD2 3.46Å; Y132-D143 WeakPolarHBondContact OH-CB 3.46Å; Y132-D143 PolarHBondContact OH-OD2 2.82Å; K138-D143 VanDerWaalsContact CD-OD1 3.3Å; K138-D143 WeakPolarHBondContact CD-OD1 3.44Å; K138-D143 WeakPolarHBondContact CE-OD1 3.4Å; K138-D143 IonicContact NZ-OD1 3.32Å; K138-D143 PolarHBondContact NZ-OD1 3.04Å; S139-D143 PolarHBondContact O-N 3.14Å; L140-D143 PolarHBondContact O-N 3.14Å; G141-D143 VanDerWaalsContact C-N 3.34Å; G141-D143 PolarHBondContact O-N 2.86Å; D143-S145 PolarHBondContact O-N 2.69Å; D143-S146 PolarHBondContact O-N 3.47Å; D143-S146 PolarHBondContact O-OG 3.11Å; D143-S146 VanDerWaalsContact O-OG 3.07Å; D143-E147 WeakPolarHBondContact O-CG 3.41Å; D143-E147 PolarHBondContact O-N 3.22Å |
| 144 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.1 | -42 | 173.4 | -70.1 | 171.4 | 0 | 0 | 0 | 110.3 | M103 L117 L140 G141 S146 E147 T148 L156 L157 A160 | M103-I144 HydrophobicContact CE-CG1 4.28Å; M103-I144 HydrophobicContact SD-CB 4.46Å; M103-I144 HydrophobicContact SD-CG1 3.85Å; L117-I144 HydrophobicContact CD1-CD1 4.1Å; L140-I144 HydrophobicContact CD1-CD1 3.94Å; L140-I144 HydrophobicContact CD1-CG1 4.14Å; L140-I144 HydrophobicContact CD2-CD1 4.38Å; L140-I144 HydrophobicContact CG-CD1 3.79Å; L140-I144 HydrophobicContact CG-CG1 4.4Å; L140-I144 WeakPolarHBondContact O-CG1 3.45Å; L140-I144 PolarHBondContact O-N 3.37Å; G141-I144 PolarHBondContact O-N 2.94Å; I144-S146 VanDerWaalsContact C-N 3.31Å; I144-S146 PolarHBondContact O-N 3.23Å; I144-E147 PolarHBondContact O-N 2.88Å; I144-T148 WeakPolarHBondContact O-CB 3.29Å; I144-T148 PolarHBondContact O-N 3.23Å; I144-T148 VanDerWaalsContact O-N 3.08Å; I144-T148 PolarHBondContact O-OG1 2.62Å; I144-L156 HydrophobicContact CG2-CB 3.75Å; I144-L156 HydrophobicContact CG2-CD1 4.19Å; I144-L157 HydrophobicContact CB-CD2 3.96Å; I144-L157 HydrophobicContact CG2-CD2 3.77Å; I144-L157 HydrophobicContact CG2-CG 3.97Å; I144-A160 HydrophobicContact CD1-CB 3.75Å |
| 145 | S | 98.3 | Very high | 98.3 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -34.2 | -179.2 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | G141 D143 | G141-S145 WeakPolarHBondContact O-CB 3.48Å; G141-S145 PolarHBondContact O-N 2.76Å; D143-S145 PolarHBondContact O-N 2.69Å |
| 146 | S | 97.5 | Very high | 98.3 | Very high | 65 Ų | 65 | 47.3 Ų | 47.3 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -80 | -36.7 | 178 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | D142 D143 I144 | D142-S146 PolarHBondContact O-N 2.88Å; D143-S146 PolarHBondContact O-N 3.47Å; D143-S146 PolarHBondContact O-OG 3.11Å; D143-S146 VanDerWaalsContact O-OG 3.07Å; I144-S146 VanDerWaalsContact C-N 3.31Å; I144-S146 PolarHBondContact O-N 3.23Å |
| 147 | E | 97.7 | Very high | 98.3 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 33% | 0.327 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -93.1 | -7.5 | -172.7 | -59.3 | -38.9 | 116.8 | 0 | 0 | 114.5 | M103 T108 D143 I144 | M103-E147 HydrophobicContact CB-CB 4.3Å; M103-E147 HydrophobicContact CB-CG 3.76Å; M103-E147 HydrophobicContact CG-CB 4.08Å; M103-E147 HydrophobicContact CG-CG 4.06Å; M103-E147 HydrophobicContact SD-CB 4.3Å; M103-E147 HydrophobicContact SD-CG 4.31Å; T108-E147 PolarHBondContact OG1-O 3.24Å; D143-E147 WeakPolarHBondContact O-CG 3.41Å; D143-E147 PolarHBondContact O-N 3.22Å; I144-E147 PolarHBondContact O-N 2.88Å |
| 148 | T | 98.1 | Very high | 98.4 | Very high | 12 Ų | 12 | 41 Ų | 41 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | trans | -133.3 | 165.1 | -178.5 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | T108 L113 I144 F152 R153 L156 | T108-T148 HydrophobicContact CG2-CG2 4.43Å; L113-T148 HydrophobicContact CD1-CG2 4.03Å; I144-T148 WeakPolarHBondContact O-CB 3.29Å; I144-T148 PolarHBondContact O-N 3.23Å; I144-T148 VanDerWaalsContact O-N 3.08Å; I144-T148 PolarHBondContact O-OG1 2.62Å; T148-F152 HydrophobicContact CG2-CD1 4.17Å; T148-F152 HydrophobicContact CG2-CE1 3.94Å; T148-R153 WeakPolarHBondContact O-CD 3.41Å; T148-R153 PolarHBondContact O-NH1 2.83Å; T148-R153 WeakPolarHBondContact OG1-CA 3.46Å; T148-R153 WeakPolarHBondContact OG1-CB 3.37Å; T148-R153 WeakPolarHBondContact OG1-CG 3.44Å; T148-L156 HydrophobicContact CG2-CD1 3.91Å | ||
| 149 | S | 98 | Very high | 98.4 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | trans | -145.8 | 177.9 | -179.9 | 69.7 | 0 | 0 | 0 | 0 | 113.3 | R153 | S149-R153 PolarHBondContact O-N 3.27Š| ||
| 150 | G | 98.1 | Very high | 98.4 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 37% | 0.371 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | 59.6 | -153.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F152 R153 K154 | G150-F152 VanDerWaalsContact C-N 3.3Å; G150-R153 PolarHBondContact O-N 2.97Å; G150-K154 PolarHBondContact O-N 3.46Å |
| 151 | D | 98.3 | Very high | 98.4 | Very high | 40 Ų | 40 | 40 Ų | 40 | 21% | 0.214 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.9 | -25.3 | -178.7 | -55.1 | -61.2 | 0 | 0 | 0 | 112.5 | R153 K154 A155 E194 F236 | D151-R153 PolarHBondContact O-N 3.47Å; D151-K154 PolarHBondContact O-N 2.9Å; D151-K154 WeakPolarHBondContact OD1-CE 3.45Å; D151-K154 IonicContact OD1-NZ 2.82Å; D151-K154 PolarHBondContact OD1-NZ 3.41Å; D151-A155 WeakPolarHBondContact O-CB 3.15Å; D151-A155 PolarHBondContact O-N 3.26Å; D151-E194 HydrophobicContact CB-CB 3.9Å; D151-E194 HydrophobicContact CB-CG 4.23Å; D151-F236 HydrophobicContact CB-CD1 3.94Å; D151-F236 HydrophobicContact CB-CD2 3.93Å; D151-F236 HydrophobicContact CB-CE1 4.04Å; D151-F236 HydrophobicContact CB-CE2 4.02Å; D151-F236 HydrophobicContact CB-CG 3.89Å; D151-F236 HydrophobicContact CB-CZ 4.06Å |
| 152 | F | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 39 Ų | 39 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.1 | -51.3 | 168.4 | -177.3 | -119.9 | 0 | 0 | 0 | 111 | E110 T148 G150 K154 A155 L156 H235 F236 L239 | E110-F152 HydrophobicContact CB-CE1 3.95Å; E110-F152 HydrophobicContact CB-CZ 3.69Å; E110-F152 HydrophobicContact CG-CE1 3.58Å; E110-F152 HydrophobicContact CG-CZ 3.9Å; T148-F152 HydrophobicContact CG2-CD1 4.17Å; T148-F152 HydrophobicContact CG2-CE1 3.94Å; G150-F152 VanDerWaalsContact C-N 3.3Å; F152-K154 PolarHBondContact O-N 3.46Å; F152-A155 PolarHBondContact O-N 2.95Å; F152-L156 HydrophobicContact CD1-CD1 3.91Å; F152-L156 HydrophobicContact CD2-CD1 4.41Å; F152-L156 HydrophobicContact CD2-CG 4.26Å; F152-L156 HydrophobicContact CE1-CD1 3.46Å; F152-L156 VanDerWaalsContact CE1-CD1 3.46Å; F152-L156 HydrophobicContact CE1-CG 4.3Å; F152-L156 HydrophobicContact CE2-CD1 4.02Å; F152-L156 HydrophobicContact CE2-CD2 3.92Å; F152-L156 HydrophobicContact CE2-CG 4.02Å; F152-L156 HydrophobicContact CG-CD1 4.37Å; F152-L156 HydrophobicContact CZ-CD1 3.53Å; F152-L156 HydrophobicContact CZ-CD2 4.06Å; F152-L156 HydrophobicContact CZ-CG 4.04Å; F152-L156 VanDerWaalsContact O-CG 3.31Å; F152-L156 WeakPolarHBondContact O-CG 3.43Å; F152-L156 PolarHBondContact O-N 3.33Å; F152-H235 HydrophobicContact CB-CB 4.38Å; F152-H235 HydrophobicContact CD1-CB 3.99Å; F152-H235 HydrophobicContact CD2-CB 3.74Å; F152-H235 WeakPolarHBondContact CD2-O 3.49Å; F152-H235 HydrophobicContact CE1-CB 4.13Å; F152-H235 HydrophobicContact CE2-CB 3.89Å; F152-H235 WeakPolarHBondContact CE2-O 3.49Å; F152-H235 HydrophobicContact CG-CB 3.78Å; F152-H235 HydrophobicContact CZ-CB 4.08Å; F152-F236 HydrophobicContact CB-CB 4.22Å; F152-L239 HydrophobicContact CD2-CB 4.03Å; F152-L239 HydrophobicContact CD2-CD2 3.83Å; F152-L239 HydrophobicContact CE2-CB 3.97Å; F152-L239 HydrophobicContact CE2-CD2 4.01Å; F152-L239 HydrophobicContact CE2-CG 4.45Å |
| 153 | R | 98.7 | Very high | 98.3 | Very high | 82 Ų | 82 | 43 Ų | 43 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.5 | -48.3 | 174.9 | 177.4 | 179.4 | 54.3 | -142.4 | 2.9 | 112 | T148 S149 G150 D151 A155 L156 L157 | T148-R153 WeakPolarHBondContact O-CD 3.41Å; T148-R153 PolarHBondContact O-NH1 2.83Å; T148-R153 WeakPolarHBondContact OG1-CA 3.46Å; T148-R153 WeakPolarHBondContact OG1-CB 3.37Å; T148-R153 WeakPolarHBondContact OG1-CG 3.44Å; S149-R153 PolarHBondContact O-N 3.27Å; G150-R153 PolarHBondContact O-N 2.97Å; D151-R153 PolarHBondContact O-N 3.47Å; R153-A155 VanDerWaalsContact C-N 3.31Å; R153-A155 PolarHBondContact O-N 3.41Å; R153-L156 PolarHBondContact O-N 3.38Å; R153-L157 HydrophobicContact CG-CD1 3.8Å; R153-L157 HydrophobicContact CG-CG 4.19Å; R153-L157 WeakPolarHBondContact O-CB 3.44Å; R153-L157 VanDerWaalsContact O-CG 3.27Å; R153-L157 WeakPolarHBondContact O-CG 3.45Å; R153-L157 PolarHBondContact O-N 3.3Å |
| 154 | K | 98.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 35% | 0.352 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.4 | -45.3 | -177.7 | -65.8 | 179.9 | -169.9 | 163.7 | 0 | 111.2 | G150 D151 F152 L157 T158 D195 | G150-K154 PolarHBondContact O-N 3.46Å; D151-K154 PolarHBondContact O-N 2.9Å; D151-K154 WeakPolarHBondContact OD1-CE 3.45Å; D151-K154 IonicContact OD1-NZ 2.82Å; D151-K154 PolarHBondContact OD1-NZ 3.41Å; F152-K154 PolarHBondContact O-N 3.46Å; K154-L157 PolarHBondContact O-N 3.07Å; K154-T158 PolarHBondContact O-N 3.37Å; K154-T158 PolarHBondContact O-OG1 2.8Å; K154-D195 WeakPolarHBondContact CD-OD1 3.34Å; K154-D195 IonicContact NZ-OD1 3.44Å; K154-D195 PolarHBondContact NZ-OD1 3.28Å; K154-D195 IonicContact NZ-OD2 3.74Å |
| 155 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D151 F152 R153 L157 T158 L159 T198 F236 L239 | D151-A155 WeakPolarHBondContact O-CB 3.15Å; D151-A155 PolarHBondContact O-N 3.26Å; F152-A155 PolarHBondContact O-N 2.95Å; R153-A155 VanDerWaalsContact C-N 3.31Å; R153-A155 PolarHBondContact O-N 3.41Å; A155-L157 VanDerWaalsContact C-N 3.35Å; A155-L157 PolarHBondContact O-N 2.78Å; A155-T158 WeakPolarHBondContact O-CB 3.28Å; A155-T158 PolarHBondContact O-N 2.59Å; A155-L159 WeakPolarHBondContact O-CG 3.44Å; A155-L159 PolarHBondContact O-N 3.5Å; A155-T198 HydrophobicContact CB-CG2 3.88Å; A155-F236 HydrophobicContact CB-CD2 4.24Å; A155-F236 HydrophobicContact CB-CE2 3.87Å; A155-L239 HydrophobicContact CB-CD2 3.47Å; A155-L239 VanDerWaalsContact CB-CD2 3.47Å |
| 156 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 174.3 | -66.4 | -179.1 | 0 | 0 | 0 | 112.1 | L113 L117 I144 T148 F152 R153 T158 L159 A160 L239 | L113-L156 HydrophobicContact CB-CD1 4.38Å; L113-L156 HydrophobicContact CB-CD2 4.46Å; L113-L156 HydrophobicContact CD1-CD1 4Å; L117-L156 HydrophobicContact CD1-CB 4.04Å; L117-L156 HydrophobicContact CD1-CD2 3.56Å; L117-L156 HydrophobicContact CD1-CG 4.27Å; I144-L156 HydrophobicContact CG2-CB 3.75Å; I144-L156 HydrophobicContact CG2-CD1 4.19Å; T148-L156 HydrophobicContact CG2-CD1 3.91Å; F152-L156 HydrophobicContact CD1-CD1 3.91Å; F152-L156 HydrophobicContact CD2-CD1 4.41Å; F152-L156 HydrophobicContact CD2-CG 4.26Å; F152-L156 HydrophobicContact CE1-CD1 3.46Å; F152-L156 VanDerWaalsContact CE1-CD1 3.46Å; F152-L156 HydrophobicContact CE1-CG 4.3Å; F152-L156 HydrophobicContact CE2-CD1 4.02Å; F152-L156 HydrophobicContact CE2-CD2 3.92Å; F152-L156 HydrophobicContact CE2-CG 4.02Å; F152-L156 HydrophobicContact CG-CD1 4.37Å; F152-L156 HydrophobicContact CZ-CD1 3.53Å; F152-L156 HydrophobicContact CZ-CD2 4.06Å; F152-L156 HydrophobicContact CZ-CG 4.04Å; F152-L156 VanDerWaalsContact O-CG 3.31Å; F152-L156 WeakPolarHBondContact O-CG 3.43Å; F152-L156 PolarHBondContact O-N 3.33Å; R153-L156 PolarHBondContact O-N 3.38Å; L156-T158 VanDerWaalsContact C-N 3.32Å; L156-T158 PolarHBondContact O-N 2.64Å; L156-L159 PolarHBondContact O-N 3.48Å; L156-A160 VanDerWaalsContact O-CB 3.27Å; L156-A160 WeakPolarHBondContact O-CB 3.26Å; L156-A160 PolarHBondContact O-N 2.72Å; L156-L239 HydrophobicContact CD2-CD1 3.98Å; L156-L239 HydrophobicContact CD2-CD2 3.79Å; L156-L239 HydrophobicContact CG-CD2 4.17Å |
| 157 | L | 98.8 | Very high | 97.9 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 175.5 | -70.2 | 174.2 | 0 | 0 | 0 | 111.5 | G141 I144 R153 K154 A155 L159 A160 D161 | G141-L157 WeakPolarHBondContact O-CD2 3.41Å; I144-L157 HydrophobicContact CB-CD2 3.96Å; I144-L157 HydrophobicContact CG2-CD2 3.77Å; I144-L157 HydrophobicContact CG2-CG 3.97Å; R153-L157 HydrophobicContact CG-CD1 3.8Å; R153-L157 HydrophobicContact CG-CG 4.19Å; R153-L157 WeakPolarHBondContact O-CB 3.44Å; R153-L157 VanDerWaalsContact O-CG 3.27Å; R153-L157 WeakPolarHBondContact O-CG 3.45Å; R153-L157 PolarHBondContact O-N 3.3Å; K154-L157 PolarHBondContact O-N 3.07Å; A155-L157 VanDerWaalsContact C-N 3.35Å; A155-L157 PolarHBondContact O-N 2.78Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.34Å; L157-A160 PolarHBondContact O-N 2.9Å; L157-D161 PolarHBondContact O-N 3.15Å; L157-D161 VanDerWaalsContact O-N 3.09Å |
| 158 | T | 98.7 | Very high | 97.7 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 22% | 0.221 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.9 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | K154 A155 L156 C202 L203 | K154-T158 PolarHBondContact O-N 3.37Å; K154-T158 PolarHBondContact O-OG1 2.8Å; A155-T158 WeakPolarHBondContact O-CB 3.28Å; A155-T158 PolarHBondContact O-N 2.59Å; L156-T158 VanDerWaalsContact C-N 3.32Å; L156-T158 PolarHBondContact O-N 2.64Å; T158-C202 HydrophobicContact CG2-CB 3.55Å; T158-L203 HydrophobicContact CG2-CD2 3.7Å; T158-L203 HydrophobicContact CG2-CG 4.13Å |
| 159 | L | 98.7 | Very high | 97.6 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.9 | -41.4 | 174.7 | -66.9 | 169.9 | 0 | 0 | 0 | 111.8 | L117 T118 A155 L156 L157 D161 G162 C202 L239 I243 | L117-L159 HydrophobicContact CB-CB 4.05Å; L117-L159 HydrophobicContact CB-CD1 4Å; L117-L159 HydrophobicContact CD2-CB 4.41Å; T118-L159 HydrophobicContact CG2-CD1 4.22Å; A155-L159 WeakPolarHBondContact O-CG 3.44Å; A155-L159 PolarHBondContact O-N 3.5Å; L156-L159 PolarHBondContact O-N 3.48Å; L157-L159 VanDerWaalsContact C-N 3.34Å; L157-L159 PolarHBondContact O-N 3.34Å; L159-D161 PolarHBondContact O-N 2.93Å; L159-G162 PolarHBondContact O-N 3.38Å; L159-C202 HydrophobicContact CD2-CB 3.98Å; L159-C202 HydrophobicContact CG-CB 4.34Å; L159-L239 HydrophobicContact CD1-CD1 3.92Å; L159-I243 HydrophobicContact CD1-CD1 4.31Å; L159-I243 HydrophobicContact CD2-CD1 4.5Å |
| 160 | A | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -29.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L117 S129 L140 I144 L156 L157 G162 | L117-A160 HydrophobicContact CD2-CB 4.22Å; S129-A160 PolarHBondContact OG-O 3.46Å; L140-A160 HydrophobicContact CD2-CB 4.09Å; L140-A160 HydrophobicContact CG-CB 4.43Å; I144-A160 HydrophobicContact CD1-CB 3.75Å; L156-A160 VanDerWaalsContact O-CB 3.27Å; L156-A160 WeakPolarHBondContact O-CB 3.26Å; L156-A160 PolarHBondContact O-N 2.72Å; L157-A160 PolarHBondContact O-N 2.9Å; A160-G162 PolarHBondContact O-N 2.85Å |
| 161 | D | 97.7 | Very high | 97.6 | Very high | 80 Ų | 80 | 62 Ų | 62 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.4 | 175 | -94 | -9.3 | 0 | 0 | 0 | 113.5 | L157 L159 R163 | L157-D161 PolarHBondContact O-N 3.15Å; L157-D161 VanDerWaalsContact O-N 3.09Å; L159-D161 PolarHBondContact O-N 2.93Å; D161-R163 VanDerWaalsContact C-N 3.34Å; D161-R163 HydrophobicContact CB-CG 4.17Å; D161-R163 PolarHBondContact O-N 3.2Å; D161-R163 IonicContact OD1-NH2 2.85Å; D161-R163 PolarHBondContact OD1-NH2 2.97Å; D161-R163 IonicContact OD2-CZ 2.78Å; D161-R163 IonicContact OD2-NE 3.63Å; D161-R163 IonicContact OD2-NH1 2.81Å; D161-R163 PolarHBondContact OD2-NH1 3.36Å; D161-R163 IonicContact OD2-NH2 3.28Å; D161-R163 PolarHBondContact OD2-NH2 3.28Å |
| 162 | G | 97.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S122 K126 L159 A160 | S122-G162 VanDerWaalsContact CB-O 3.28Å; S122-G162 WeakPolarHBondContact CB-O 3.46Å; K126-G162 VanDerWaalsContact CE-O 3.28Å; K126-G162 WeakPolarHBondContact CE-O 3.46Å; L159-G162 PolarHBondContact O-N 3.38Å; A160-G162 PolarHBondContact O-N 2.85Å |
| 163 | R | 97.9 | Very high | 97.6 | Very high | 170 Ų | 170 | 73.5 Ų | 73.5 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | trans | -110.1 | 7.9 | -177.5 | -64.4 | -173.1 | -157.1 | 141.7 | 15.6 | 114.5 | D161 D165 L203 | D161-R163 VanDerWaalsContact C-N 3.34Å; D161-R163 HydrophobicContact CB-CG 4.17Å; D161-R163 PolarHBondContact O-N 3.2Å; D161-R163 IonicContact OD1-NH2 2.85Å; D161-R163 PolarHBondContact OD1-NH2 2.97Å; D161-R163 IonicContact OD2-CZ 2.78Å; D161-R163 IonicContact OD2-NE 3.63Å; D161-R163 IonicContact OD2-NH1 2.81Å; D161-R163 PolarHBondContact OD2-NH1 3.36Å; D161-R163 IonicContact OD2-NH2 3.28Å; D161-R163 PolarHBondContact OD2-NH2 3.28Å; R163-D165 PolarHBondContact O-N 3.42Å; R163-L203 HydrophobicContact CB-CD2 4.43Å | ||
| 164 | R | 98.2 | Very high | 97.6 | Very high | 35 Ų | 35 | 71.9 Ų | 71.9 | 13% | 0.132 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -58.4 | 135.1 | 171.7 | -176.2 | -174.1 | -63.9 | -78.4 | 2.2 | 109.5 | S122 E166 L201 C202 L203 R204 | S122-R164 WeakPolarHBondContact OG-CA 3.45Å; S122-R164 WeakPolarHBondContact OG-CB 3.12Å; S122-R164 PolarHBondContact OG-N 3.4Å; S122-R164 VanDerWaalsContact OG-N 3.15Å; S122-R164 PolarHBondContact OG-O 3.09Å; R164-E166 PolarHBondContact O-N 2.86Å; R164-L201 PolarHBondContact NH1-O 3.4Å; R164-L201 PolarHBondContact NH2-O 2.89Å; R164-C202 WeakPolarHBondContact CB-O 3.37Å; R164-C202 PolarHBondContact NH1-O 3.18Å; R164-C202 PolarHBondContact NH2-O 3.06Å; R164-L203 WeakPolarHBondContact CA-O 3.36Å; R164-R204 VanDerWaalsContact CG-O 3.26Å; R164-R204 WeakPolarHBondContact CG-O 3.37Å; R164-R204 PolarHBondContact NH1-O 2.71Å |
| 165 | D | 97.4 | Very high | 97.6 | Very high | 80 Ų | 80 | 68 Ų | 68 | 43% | 0.428 | 34% | 0.335 | S | S | . | . | trans | -59 | 131.2 | 172.8 | 177.7 | 38.2 | 0 | 0 | 0 | 110.7 | R163 S167 L203 S205 | R163-D165 PolarHBondContact O-N 3.42Å; D165-S167 VanDerWaalsContact OD1-CB 3.27Å; D165-S167 WeakPolarHBondContact OD1-CB 3.31Å; D165-S167 PolarHBondContact OD1-N 3.48Å; D165-S167 VanDerWaalsContact OD2-CB 3.31Å; D165-S167 WeakPolarHBondContact OD2-CB 3.2Å; D165-L203 PolarHBondContact N-O 3.44Å; D165-S205 WeakPolarHBondContact O-CA 3.28Å; D165-S205 WeakPolarHBondContact O-CB 3.36Å | ||
| 166 | E | 93.1 | Very high | 97.6 | Very high | 92 Ų | 92 | 73 Ų | 73 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | trans | -106.6 | 8 | 178.5 | -66.2 | -173.5 | 157.6 | 0 | 0 | 111.8 | S122 R123 R164 | S122-E166 WeakPolarHBondContact CA-OE1 3.31Å; S122-E166 WeakPolarHBondContact CB-OE1 3.24Å; S122-E166 PolarHBondContact N-OE1 3.24Å; R123-E166 VanDerWaalsContact CD-OE2 3.29Å; R123-E166 WeakPolarHBondContact CD-OE2 3.41Å; R123-E166 VanDerWaalsContact CG-OE2 3.28Å; R123-E166 WeakPolarHBondContact CG-OE2 3.34Å; R123-E166 PolarHBondContact N-OE1 2.89Å; R164-E166 PolarHBondContact O-N 2.86Å | ||
| 167 | S | 94.7 | Very high | 97.6 | Very high | 41 Ų | 41 | 78.3 Ų | 78.3 | 29% | 0.287 | 38% | 0.379 | S | S | . | . | trans | -61.6 | 138.2 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | D165 K169 S205 | D165-S167 VanDerWaalsContact OD1-CB 3.27Å; D165-S167 WeakPolarHBondContact OD1-CB 3.31Å; D165-S167 PolarHBondContact OD1-N 3.48Å; D165-S167 VanDerWaalsContact OD2-CB 3.31Å; D165-S167 WeakPolarHBondContact OD2-CB 3.2Å; S167-K169 VanDerWaalsContact C-N 3.31Å; S167-K169 WeakPolarHBondContact OG-CB 3.29Å; S167-K169 PolarHBondContact OG-N 2.84Å; S167-K169 PolarHBondContact OG-O 2.95Å; S167-S205 WeakPolarHBondContact O-CB 3.37Å; S167-S205 PolarHBondContact O-OG 3.15Å | ||
| 168 | L | 94.2 | Very high | 97.6 | Very high | 155 Ų | 155 | 76 Ų | 76 | 81% | 0.812 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -82.8 | -11.5 | 167.5 | -62 | 179.5 | 0 | 0 | 0 | 112.5 | P207 | L168-P207 HydrophobicContact CD2-CG 4.36Š|
| 169 | K | 96.3 | Very high | 97.6 | Very high | 176 Ų | 176 | 74.3 Ų | 74.3 | 77% | 0.765 | 36% | 0.357 | S | S | * | . | trans | -76.1 | 141.7 | 175.5 | -56.9 | -178.3 | -180 | -178.9 | 0 | 109.4 | S167 | S167-K169 VanDerWaalsContact C-N 3.31Å; S167-K169 WeakPolarHBondContact OG-CB 3.29Å; S167-K169 PolarHBondContact OG-N 2.84Å; S167-K169 PolarHBondContact OG-O 2.95Å | ||
| 170 | V | 97.9 | Very high | 97.6 | Very high | 70 Ų | 70 | 77.5 Ų | 77.5 | 42% | 0.424 | 37% | 0.371 | S | S | . | . | trans | -120.3 | 152.8 | 178.3 | -65 | 0 | 0 | 0 | 0 | 110.5 | P207 L211 | V170-P207 HydrophobicContact CG1-CB 3.66Å; V170-L211 HydrophobicContact CB-CD1 3.59Å; V170-L211 HydrophobicContact CG1-CD1 3.97Å; V170-L211 HydrophobicContact CG2-CD1 3.55Å | ||
| 171 | D | 98.5 | Very high | 97.6 | Very high | 79 Ų | 79 | 79.6 Ų | 79.6 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | trans | -124.4 | 109.7 | 176.8 | 179.9 | -22.7 | 0 | 0 | 0 | 108.7 | H173 L174 A175 Q208 | D171-H173 VanDerWaalsContact C-N 3.33Å; D171-H173 PolarHBondContact O-N 3.48Å; D171-H173 WeakPolarHBondContact OD1-CA 3.41Å; D171-H173 WeakPolarHBondContact OD1-CB 3.45Å; D171-H173 PolarHBondContact OD1-N 3.36Å; D171-L174 HydrophobicContact CB-CB 3.77Å; D171-L174 PolarHBondContact O-N 2.84Å; D171-L174 PolarHBondContact OD1-N 2.73Å; D171-A175 PolarHBondContact O-N 2.98Å; D171-Q208 PolarHBondContact O-NE2 3.18Å | ||
| 172 | E | 98.4 | Very high | 97.7 | Very high | 151 Ų | 151 | 75.8 Ų | 75.8 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.9 | -35.4 | -179.6 | -67 | -178.3 | -175.8 | 0 | 0 | 112.5 | A175 K176 | E172-A175 PolarHBondContact O-N 3.45Å; E172-K176 WeakPolarHBondContact O-CB 3.27Å; E172-K176 PolarHBondContact O-N 3.19Å |
| 173 | H | 98.4 | Very high | 97.7 | Very high | 143 Ų | 143 | 78.6 Ų | 78.6 | 66% | 0.662 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.1 | -42.6 | 177.6 | -176.7 | 72.8 | 0 | 0 | 0 | 110.3 | D171 K177 | D171-H173 VanDerWaalsContact C-N 3.33Å; D171-H173 PolarHBondContact O-N 3.48Å; D171-H173 WeakPolarHBondContact OD1-CA 3.41Å; D171-H173 WeakPolarHBondContact OD1-CB 3.45Å; D171-H173 PolarHBondContact OD1-N 3.36Å; H173-K177 VanDerWaalsContact O-CB 3.32Å; H173-K177 WeakPolarHBondContact O-CB 3.24Å; H173-K177 PolarHBondContact O-N 2.95Å |
| 174 | L | 98.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 76.8 Ų | 76.8 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 173.1 | -177.1 | 59.9 | 0 | 0 | 0 | 111.7 | D171 K176 K177 D178 | D171-L174 HydrophobicContact CB-CB 3.77Å; D171-L174 PolarHBondContact O-N 2.84Å; D171-L174 PolarHBondContact OD1-N 2.73Å; L174-K176 PolarHBondContact O-N 3.39Å; L174-K177 PolarHBondContact O-N 3.32Å; L174-D178 WeakPolarHBondContact O-CB 3.42Å; L174-D178 PolarHBondContact O-N 3.32Å |
| 175 | A | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D171 E172 K177 D178 A179 Q208 L211 E215 | D171-A175 PolarHBondContact O-N 2.98Å; E172-A175 PolarHBondContact O-N 3.45Å; A175-K177 VanDerWaalsContact C-N 3.35Å; A175-K177 PolarHBondContact O-N 3.4Å; A175-D178 PolarHBondContact O-N 2.95Å; A175-A179 VanDerWaalsContact O-CB 3.27Å; A175-A179 WeakPolarHBondContact O-CB 3.31Å; A175-A179 PolarHBondContact O-N 3.24Å; A175-Q208 VanDerWaalsContact N-NE2 3.12Å; A175-L211 HydrophobicContact CB-CB 3.89Å; A175-E215 HydrophobicContact CB-CG 4.39Å |
| 176 | K | 98.8 | Very high | 97.5 | Very high | 105 Ų | 105 | 71.5 Ų | 71.5 | 46% | 0.457 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 177.5 | -173.7 | 167.1 | -174.1 | 166.9 | 0 | 112.3 | E172 L174 Q180 E215 | E172-K176 WeakPolarHBondContact O-CB 3.27Å; E172-K176 PolarHBondContact O-N 3.19Å; L174-K176 PolarHBondContact O-N 3.39Å; K176-Q180 VanDerWaalsContact O-CG 3.29Å; K176-Q180 WeakPolarHBondContact O-CG 3.29Å; K176-Q180 PolarHBondContact O-N 3.2Å; K176-E215 HydrophobicContact CB-CG 4.23Å |
| 177 | K | 98.8 | Very high | 97.5 | Very high | 111 Ų | 111 | 69.6 Ų | 69.6 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 176 | -178.3 | -175.9 | 176.1 | -175.1 | 0 | 111.5 | H173 L174 A175 A179 Q180 I181 | H173-K177 VanDerWaalsContact O-CB 3.32Å; H173-K177 WeakPolarHBondContact O-CB 3.24Å; H173-K177 PolarHBondContact O-N 2.95Å; L174-K177 PolarHBondContact O-N 3.32Å; A175-K177 VanDerWaalsContact C-N 3.35Å; A175-K177 PolarHBondContact O-N 3.4Å; K177-A179 VanDerWaalsContact C-N 3.32Å; K177-A179 PolarHBondContact O-N 3.49Å; K177-Q180 WeakPolarHBondContact O-CB 3.44Å; K177-Q180 PolarHBondContact O-N 2.82Å; K177-I181 HydrophobicContact CG-CD1 4.07Å; K177-I181 WeakPolarHBondContact O-CG1 3.32Å; K177-I181 PolarHBondContact O-N 2.64Å |
| 178 | D | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.011 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 179.4 | -74.9 | -18.4 | 0 | 0 | 0 | 111 | L174 A175 Q180 I181 L182 I200 R204 T212 | L174-D178 WeakPolarHBondContact O-CB 3.42Å; L174-D178 PolarHBondContact O-N 3.32Å; A175-D178 PolarHBondContact O-N 2.95Å; D178-Q180 PolarHBondContact O-N 2.8Å; D178-I181 WeakPolarHBondContact O-CB 3.4Å; D178-I181 PolarHBondContact O-N 3.08Å; D178-I181 VanDerWaalsContact O-N 3.15Å; D178-L182 WeakPolarHBondContact O-CG 3.31Å; D178-L182 PolarHBondContact O-N 3.06Å; D178-I200 HydrophobicContact CB-CD1 4.01Å; D178-I200 HydrophobicContact CB-CG1 4.46Å; D178-I200 HydrophobicContact CB-CG2 4.14Å; D178-R204 IonicContact OD1-CZ 2.84Å; D178-R204 IonicContact OD1-NE 3.57Å; D178-R204 IonicContact OD1-NH2 3.34Å; D178-R204 PolarHBondContact OD1-NH2 3.22Å; D178-R204 IonicContact OD2-CZ 3.84Å; D178-R204 IonicContact OD2-NE 3.44Å; D178-R204 PolarHBondContact OD2-NE 2.72Å; D178-R204 IonicContact OD2-NH2 2.66Å; D178-R204 PolarHBondContact OD2-NH2 3.39Å; D178-T212 HydrophobicContact CB-CG2 3.72Å |
| 179 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A175 K177 I181 L182 Y183 T212 E215 I219 | A175-A179 VanDerWaalsContact O-CB 3.27Å; A175-A179 WeakPolarHBondContact O-CB 3.31Å; A175-A179 PolarHBondContact O-N 3.24Å; K177-A179 VanDerWaalsContact C-N 3.32Å; K177-A179 PolarHBondContact O-N 3.49Å; A179-I181 VanDerWaalsContact C-N 3.33Å; A179-I181 PolarHBondContact O-N 3.34Å; A179-L182 PolarHBondContact O-N 3.32Å; A179-Y183 WeakPolarHBondContact O-CB 3.45Å; A179-Y183 PolarHBondContact O-N 3.03Å; A179-T212 HydrophobicContact CB-CG2 4.24Å; A179-E215 HydrophobicContact CB-CB 3.62Å; A179-I219 HydrophobicContact CB-CD1 3.75Å |
| 180 | Q | 98.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 74.2 Ų | 74.2 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 173.5 | -72.3 | 173.8 | 2.4 | 0 | 0 | 112.5 | K176 K177 D178 K184 I219 | K176-Q180 VanDerWaalsContact O-CG 3.29Å; K176-Q180 WeakPolarHBondContact O-CG 3.29Å; K176-Q180 PolarHBondContact O-N 3.2Å; K177-Q180 WeakPolarHBondContact O-CB 3.44Å; K177-Q180 PolarHBondContact O-N 2.82Å; D178-Q180 PolarHBondContact O-N 2.8Å; Q180-K184 WeakPolarHBondContact O-CB 3.47Å; Q180-K184 VanDerWaalsContact O-CG 3.28Å; Q180-K184 WeakPolarHBondContact O-CG 3.12Å; Q180-K184 PolarHBondContact O-N 3.2Å; Q180-I219 HydrophobicContact CB-CD1 4.42Å; Q180-I219 HydrophobicContact CG-CD1 3.53Å |
| 181 | I | 98.7 | Very high | 96.4 | Very high | 50 Ų | 50 | 73 Ų | 73 | 26% | 0.256 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -50.1 | 175.8 | -70.5 | 165.8 | 0 | 0 | 0 | 109.8 | K177 D178 A179 Y183 K184 A185 K196 I200 | K177-I181 HydrophobicContact CG-CD1 4.07Å; K177-I181 WeakPolarHBondContact O-CG1 3.32Å; K177-I181 PolarHBondContact O-N 2.64Å; D178-I181 WeakPolarHBondContact O-CB 3.4Å; D178-I181 PolarHBondContact O-N 3.08Å; D178-I181 VanDerWaalsContact O-N 3.15Å; A179-I181 VanDerWaalsContact C-N 3.33Å; A179-I181 PolarHBondContact O-N 3.34Å; I181-Y183 VanDerWaalsContact C-N 3.29Å; I181-Y183 PolarHBondContact O-N 3.03Å; I181-K184 PolarHBondContact O-N 3.29Å; I181-A185 WeakPolarHBondContact O-CB 3.21Å; I181-A185 PolarHBondContact O-N 3.04Å; I181-K196 HydrophobicContact CG2-CB 4.19Å; I181-K196 HydrophobicContact CG2-CD 3.78Å; I181-K196 HydrophobicContact CG2-CG 4.22Å; I181-I200 HydrophobicContact CB-CD1 3.97Å; I181-I200 HydrophobicContact CG2-CD1 3.68Å |
| 182 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 177.5 | -70.9 | 174.1 | 0 | 0 | 0 | 111.8 | D178 A179 A185 G186 F197 I200 L201 T212 Y216 I224 | D178-L182 WeakPolarHBondContact O-CG 3.31Å; D178-L182 PolarHBondContact O-N 3.06Å; A179-L182 PolarHBondContact O-N 3.32Å; L182-A185 PolarHBondContact O-N 3.19Å; L182-G186 PolarHBondContact O-N 2.96Å; L182-G186 VanDerWaalsContact O-N 3.12Å; L182-F197 HydrophobicContact CD2-CD1 3.84Å; L182-F197 HydrophobicContact CD2-CD2 4.3Å; L182-F197 HydrophobicContact CD2-CE1 4.05Å; L182-F197 HydrophobicContact CD2-CE2 4.48Å; L182-F197 HydrophobicContact CD2-CG 3.98Å; L182-F197 HydrophobicContact CD2-CZ 4.37Å; L182-I200 HydrophobicContact CD1-CG2 4.09Å; L182-I200 HydrophobicContact CD2-CB 4.26Å; L182-I200 HydrophobicContact CD2-CD1 3.91Å; L182-I200 HydrophobicContact CD2-CG2 4.5Å; L182-I200 HydrophobicContact CG-CD1 3.78Å; L182-I200 HydrophobicContact CG-CG2 4.4Å; L182-L201 HydrophobicContact CD1-CD1 4.1Å; L182-L201 HydrophobicContact CD2-CD1 3.86Å; L182-T212 HydrophobicContact CD1-CG2 4.06Å; L182-Y216 HydrophobicContact CB-CD2 3.78Å; L182-Y216 HydrophobicContact CB-CE2 3.67Å; L182-Y216 HydrophobicContact CD1-CD2 4.49Å; L182-I224 HydrophobicContact CD1-CD1 4.27Å |
| 183 | Y | 98.1 | Very high | 96.1 | Very high | 63 Ų | 63 | 65 Ų | 65 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 178.7 | 179.6 | -113.4 | 0 | 0 | 0 | 111.8 | A179 I181 A185 G186 E187 N188 I219 | A179-Y183 WeakPolarHBondContact O-CB 3.45Å; A179-Y183 PolarHBondContact O-N 3.03Å; I181-Y183 VanDerWaalsContact C-N 3.29Å; I181-Y183 PolarHBondContact O-N 3.03Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 2.77Å; Y183-G186 PolarHBondContact O-N 3.27Å; Y183-E187 HydrophobicContact CD2-CB 3.88Å; Y183-E187 HydrophobicContact CD2-CG 4.43Å; Y183-E187 HydrophobicContact CE2-CB 3.69Å; Y183-E187 HydrophobicContact CE2-CG 4.46Å; Y183-E187 PolarHBondContact O-N 3.49Å; Y183-N188 HydrophobicContact CD1-CB 3.99Å; Y183-N188 HydrophobicContact CE1-CB 3.69Å; Y183-N188 WeakPolarHBondContact CE1-ND2 3.39Å; Y183-N188 WeakPolarHBondContact O-CB 3.31Å; Y183-N188 PolarHBondContact O-N 2.99Å; Y183-I219 HydrophobicContact CD1-CG2 3.65Å; Y183-I219 HydrophobicContact CD2-CG2 4.37Å; Y183-I219 HydrophobicContact CE1-CG2 4.21Å; Y183-I219 HydrophobicContact CG-CG2 3.74Å |
| 184 | K | 97.8 | Very high | 96 | Very high | 131 Ų | 131 | 61 Ų | 61 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69.2 | -25.4 | 174.7 | -70.5 | 175.2 | -176.1 | 179.3 | 0 | 113.5 | Q180 I181 R189 | Q180-K184 WeakPolarHBondContact O-CB 3.47Å; Q180-K184 VanDerWaalsContact O-CG 3.28Å; Q180-K184 WeakPolarHBondContact O-CG 3.12Å; Q180-K184 PolarHBondContact O-N 3.2Å; I181-K184 PolarHBondContact O-N 3.29Å; K184-R189 WeakPolarHBondContact O-CD 3.39Å; K184-R189 VanDerWaalsContact O-CG 3.3Å; K184-R189 WeakPolarHBondContact O-CG 3.41Å |
| 185 | A | 96.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -83.3 | -16 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I181 L182 Y183 T192 D193 K196 F197 | I181-A185 WeakPolarHBondContact O-CB 3.21Å; I181-A185 PolarHBondContact O-N 3.04Å; L182-A185 PolarHBondContact O-N 3.19Å; Y183-A185 VanDerWaalsContact C-N 3.28Å; Y183-A185 PolarHBondContact O-N 2.77Å; A185-T192 CarbonylContact O-C 3.55Å; A185-T192 WeakPolarHBondContact O-CA 3.35Å; A185-T192 WeakPolarHBondContact O-CG2 3.38Å; A185-D193 HydrophobicContact CB-CB 3.87Å; A185-D193 PolarHBondContact O-N 3.3Å; A185-K196 HydrophobicContact CB-CB 3.83Å; A185-K196 HydrophobicContact CB-CG 4.46Å; A185-F197 HydrophobicContact CB-CD2 4.22Å; A185-F197 HydrophobicContact CB-CE2 3.99Å |
| 186 | G | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -100.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | L182 Y183 N188 R189 | L182-G186 PolarHBondContact O-N 2.96Å; L182-G186 VanDerWaalsContact O-N 3.12Å; Y183-G186 PolarHBondContact O-N 3.27Å; G186-N188 PolarHBondContact O-N 2.99Å; G186-R189 WeakPolarHBondContact O-CG 3.4Å; G186-R189 PolarHBondContact O-N 3.27Å |
| 187 | E | 92.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 61 Ų | 61 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -30.1 | -171.5 | -62.1 | -81.3 | 169.6 | 0 | 0 | 116.6 | Y183 K222 S227 | Y183-E187 HydrophobicContact CD2-CB 3.88Å; Y183-E187 HydrophobicContact CD2-CG 4.43Å; Y183-E187 HydrophobicContact CE2-CB 3.69Å; Y183-E187 HydrophobicContact CE2-CG 4.46Å; Y183-E187 PolarHBondContact O-N 3.49Å; E187-K222 VanDerWaalsContact CD-NZ 3.31Å; E187-K222 WeakPolarHBondContact OE1-CE 3.37Å; E187-K222 IonicContact OE1-NZ 2.7Å; E187-K222 PolarHBondContact OE1-NZ 3.3Å; E187-K222 IonicContact OE2-NZ 3.11Å; E187-K222 PolarHBondContact OE2-NZ 2.82Å; E187-K222 VanDerWaalsContact OE2-NZ 3.11Å; E187-S227 WeakPolarHBondContact CG-OG 3.38Å; E187-S227 VanDerWaalsContact OE1-CA 3.23Å; E187-S227 WeakPolarHBondContact OE1-CA 3.49Å; E187-S227 WeakPolarHBondContact OE1-CB 3.47Å; E187-S227 PolarHBondContact OE1-OG 3.14Å |
| 188 | N | 92.2 | Very high | 95.9 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 24.9 | -178 | -161.5 | 2.3 | 0 | 0 | 0 | 113.6 | Y183 G186 | Y183-N188 HydrophobicContact CD1-CB 3.99Å; Y183-N188 HydrophobicContact CE1-CB 3.69Å; Y183-N188 WeakPolarHBondContact CE1-ND2 3.39Å; Y183-N188 WeakPolarHBondContact O-CB 3.31Å; Y183-N188 PolarHBondContact O-N 2.99Å; G186-N188 PolarHBondContact O-N 2.99Å |
| 189 | R | 92.1 | Very high | 95.9 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 43% | 0.426 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -151.9 | 168.9 | 172.8 | 53.9 | 171.1 | -64.8 | 168.7 | -1.4 | 110.4 | K184 G186 G191 D193 | K184-R189 WeakPolarHBondContact O-CD 3.39Å; K184-R189 VanDerWaalsContact O-CG 3.3Å; K184-R189 WeakPolarHBondContact O-CG 3.41Å; G186-R189 WeakPolarHBondContact O-CG 3.4Å; G186-R189 PolarHBondContact O-N 3.27Å; R189-G191 WeakPolarHBondContact CD-O 3.15Å; R189-G191 VanDerWaalsContact CG-O 3.25Å; R189-G191 WeakPolarHBondContact CG-O 3.4Å; R189-G191 PolarHBondContact NE-O 2.65Å; R189-D193 IonicContact NH1-OD2 3.38Å |
| 190 | W | 85.1 | Confident | 95.8 | Very high | 258 Ų | 258 | 59.6 Ų | 59.6 | 98% | 0.977 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -87.6 | 124.6 | 168.9 | -77.8 | 23.8 | 0 | 0 | 0 | 109.3 | ||
| 191 | G | 89.8 | Confident | 95.8 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 46% | 0.464 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 67.9 | 175.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R189 | R189-G191 WeakPolarHBondContact CD-O 3.15Å; R189-G191 VanDerWaalsContact CG-O 3.25Å; R189-G191 WeakPolarHBondContact CG-O 3.4Å; R189-G191 PolarHBondContact NE-O 2.65Å |
| 192 | T | 94.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 9% | 0.086 | 25% | 0.25 | C | S | . | . | trans | -109 | 156.3 | -166.7 | -46.3 | 0 | 0 | 0 | 0 | 111.9 | A185 F197 E231 L232 | A185-T192 CarbonylContact O-C 3.55Å; A185-T192 WeakPolarHBondContact O-CA 3.35Å; A185-T192 WeakPolarHBondContact O-CG2 3.38Å; T192-F197 HydrophobicContact CG2-CD2 3.81Å; T192-F197 HydrophobicContact CG2-CE2 3.67Å; T192-E231 HydrophobicContact CG2-CB 4.42Å; T192-E231 WeakPolarHBondContact OG1-CB 3.29Å; T192-E231 PolarHBondContact OG1-O 3.21Å; T192-L232 HydrophobicContact CG2-CD2 3.69Å; T192-L232 HydrophobicContact CG2-CG 4.32Å | ||
| 193 | D | 96.3 | Very high | 95.8 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.251 | 26% | 0.264 | S | S | . | . | trans | -103.1 | 85.2 | 163.4 | -170.6 | -30.1 | 0 | 0 | 0 | 108.5 | A185 R189 D195 K196 F197 | A185-D193 HydrophobicContact CB-CB 3.87Å; A185-D193 PolarHBondContact O-N 3.3Å; R189-D193 IonicContact NH1-OD2 3.38Å; D193-D195 PolarHBondContact O-N 2.94Å; D193-D195 PolarHBondContact OD1-N 3.32Å; D193-K196 HydrophobicContact CB-CB 4.29Å; D193-K196 HydrophobicContact CB-CG 4.23Å; D193-K196 VanDerWaalsContact CG-CG 3.45Å; D193-K196 PolarHBondContact O-N 3.05Å; D193-K196 VanDerWaalsContact O-N 3.12Å; D193-K196 WeakPolarHBondContact OD1-CG 3.08Å; D193-K196 PolarHBondContact OD1-N 3.35Å; D193-K196 WeakPolarHBondContact OD2-CG 3.5Å; D193-F197 PolarHBondContact O-N 3.46Å | ||
| 194 | E | 97.1 | Very high | 95.9 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.9 | -31.2 | -175.2 | -63.8 | 83.5 | 179.9 | 0 | 0 | 112.3 | D151 K196 F197 T198 L232 F236 | D151-E194 HydrophobicContact CB-CB 3.9Å; D151-E194 HydrophobicContact CB-CG 4.23Å; E194-K196 VanDerWaalsContact C-N 3.34Å; E194-F197 PolarHBondContact O-N 2.64Å; E194-T198 WeakPolarHBondContact O-CB 3.25Å; E194-T198 PolarHBondContact O-N 3.18Å; E194-T198 PolarHBondContact O-OG1 3.22Å; E194-L232 HydrophobicContact CG-CD2 3.9Å; E194-F236 HydrophobicContact CB-CD1 4.45Å; E194-F236 HydrophobicContact CB-CE1 3.55Å; E194-F236 HydrophobicContact CB-CZ 3.86Å; E194-F236 HydrophobicContact CG-CD1 4.11Å; E194-F236 HydrophobicContact CG-CE1 3.54Å; E194-F236 HydrophobicContact CG-CZ 4.35Å |
| 195 | D | 97.7 | Very high | 95.9 | Very high | 84 Ų | 84 | 49.1 Ų | 49.1 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67 | -36.5 | 178 | -70.8 | -27.1 | 0 | 0 | 0 | 110.7 | K154 D193 T198 E199 | K154-D195 WeakPolarHBondContact CD-OD1 3.34Å; K154-D195 IonicContact NZ-OD1 3.44Å; K154-D195 PolarHBondContact NZ-OD1 3.28Å; K154-D195 IonicContact NZ-OD2 3.74Å; D193-D195 PolarHBondContact O-N 2.94Å; D193-D195 PolarHBondContact OD1-N 3.32Å; D195-T198 PolarHBondContact O-N 2.97Å; D195-E199 WeakPolarHBondContact O-CB 3.48Å; D195-E199 PolarHBondContact O-N 3.03Å |
| 196 | K | 98.3 | Very high | 96 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.1 | -39.1 | 175.4 | -70.4 | -69.5 | 156.7 | -155.6 | 0 | 113.2 | I181 A185 D193 E194 E199 I200 | I181-K196 HydrophobicContact CG2-CB 4.19Å; I181-K196 HydrophobicContact CG2-CD 3.78Å; I181-K196 HydrophobicContact CG2-CG 4.22Å; A185-K196 HydrophobicContact CB-CB 3.83Å; A185-K196 HydrophobicContact CB-CG 4.46Å; D193-K196 HydrophobicContact CB-CB 4.29Å; D193-K196 HydrophobicContact CB-CG 4.23Å; D193-K196 VanDerWaalsContact CG-CG 3.45Å; D193-K196 PolarHBondContact O-N 3.05Å; D193-K196 VanDerWaalsContact O-N 3.12Å; D193-K196 WeakPolarHBondContact OD1-CG 3.08Å; D193-K196 PolarHBondContact OD1-N 3.35Å; D193-K196 WeakPolarHBondContact OD2-CG 3.5Å; E194-K196 VanDerWaalsContact C-N 3.34Å; K196-E199 IonicContact NZ-OE2 2.67Å; K196-E199 PolarHBondContact NZ-OE2 3.45Å; K196-I200 PolarHBondContact O-N 3.06Å |
| 197 | F | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 171.3 | -85.6 | -96.4 | 0 | 0 | 0 | 110.7 | L182 A185 T192 D193 E194 I200 L201 I224 I228 L240 | L182-F197 HydrophobicContact CD2-CD1 3.84Å; L182-F197 HydrophobicContact CD2-CD2 4.3Å; L182-F197 HydrophobicContact CD2-CE1 4.05Å; L182-F197 HydrophobicContact CD2-CE2 4.48Å; L182-F197 HydrophobicContact CD2-CG 3.98Å; L182-F197 HydrophobicContact CD2-CZ 4.37Å; A185-F197 HydrophobicContact CB-CD2 4.22Å; A185-F197 HydrophobicContact CB-CE2 3.99Å; T192-F197 HydrophobicContact CG2-CD2 3.81Å; T192-F197 HydrophobicContact CG2-CE2 3.67Å; D193-F197 PolarHBondContact O-N 3.46Å; E194-F197 PolarHBondContact O-N 2.64Å; F197-I200 PolarHBondContact O-N 3.02Å; F197-L201 HydrophobicContact CD1-CD1 4.3Å; F197-L201 VanDerWaalsContact O-CB 3.31Å; F197-L201 WeakPolarHBondContact O-CB 3.31Å; F197-L201 WeakPolarHBondContact O-CD1 3.28Å; F197-L201 PolarHBondContact O-N 2.95Å; F197-I224 HydrophobicContact CE1-CD1 4.09Å; F197-I228 HydrophobicContact CD1-CG1 4.3Å; F197-I228 HydrophobicContact CE1-CG1 3.92Å; F197-L240 HydrophobicContact CB-CD1 3.76Å; F197-L240 HydrophobicContact CD1-CD1 3.99Å; F197-L240 HydrophobicContact CG-CD1 4.21Å |
| 198 | T | 98.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 177.7 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | A155 E194 D195 I200 C202 F236 | A155-T198 HydrophobicContact CB-CG2 3.88Å; E194-T198 WeakPolarHBondContact O-CB 3.25Å; E194-T198 PolarHBondContact O-N 3.18Å; E194-T198 PolarHBondContact O-OG1 3.22Å; D195-T198 PolarHBondContact O-N 2.97Å; T198-I200 VanDerWaalsContact C-N 3.34Å; T198-I200 PolarHBondContact O-N 3.29Å; T198-C202 WeakPolarHBondContact O-CB 3.49Å; T198-C202 PolarHBondContact O-N 2.95Å; T198-C202 PolarHBondContact O-SG 3.04Å; T198-F236 WeakPolarHBondContact OG1-CE2 3.49Å; T198-F236 WeakPolarHBondContact OG1-CZ 3.4Å |
| 199 | E | 98.2 | Very high | 96.7 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.4 | -48.9 | -179.3 | -174.2 | -169 | 148.5 | 0 | 0 | 111.4 | D195 K196 L203 | D195-E199 WeakPolarHBondContact O-CB 3.48Å; D195-E199 PolarHBondContact O-N 3.03Å; K196-E199 IonicContact NZ-OE2 2.67Å; K196-E199 PolarHBondContact NZ-OE2 3.45Å; E199-L203 HydrophobicContact CG-CD1 4.23Å; E199-L203 WeakPolarHBondContact O-CB 3.46Å; E199-L203 VanDerWaalsContact O-CG 3.31Å; E199-L203 WeakPolarHBondContact O-CG 3.27Å; E199-L203 PolarHBondContact O-N 2.64Å |
| 200 | I | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -76.1 | -53 | -175.2 | -65.5 | 170.4 | 0 | 0 | 0 | 110.5 | D178 I181 L182 K196 F197 T198 C202 L203 R204 L209 T212 | D178-I200 HydrophobicContact CB-CD1 4.01Å; D178-I200 HydrophobicContact CB-CG1 4.46Å; D178-I200 HydrophobicContact CB-CG2 4.14Å; I181-I200 HydrophobicContact CB-CD1 3.97Å; I181-I200 HydrophobicContact CG2-CD1 3.68Å; L182-I200 HydrophobicContact CD1-CG2 4.09Å; L182-I200 HydrophobicContact CD2-CB 4.26Å; L182-I200 HydrophobicContact CD2-CD1 3.91Å; L182-I200 HydrophobicContact CD2-CG2 4.5Å; L182-I200 HydrophobicContact CG-CD1 3.78Å; L182-I200 HydrophobicContact CG-CG2 4.4Å; K196-I200 PolarHBondContact O-N 3.06Å; F197-I200 PolarHBondContact O-N 3.02Å; T198-I200 VanDerWaalsContact C-N 3.34Å; T198-I200 PolarHBondContact O-N 3.29Å; I200-C202 VanDerWaalsContact C-N 3.33Å; I200-C202 PolarHBondContact O-N 3.43Å; I200-L203 PolarHBondContact O-N 3.35Å; I200-R204 HydrophobicContact CG2-CG 4.17Å; I200-R204 WeakPolarHBondContact O-CB 3.31Å; I200-R204 WeakPolarHBondContact O-CG 3.21Å; I200-R204 PolarHBondContact O-N 3.13Å; I200-R204 VanDerWaalsContact O-N 3.15Å; I200-L209 HydrophobicContact CG2-CD2 3.98Å; I200-T212 HydrophobicContact CG2-CG2 4.5Å |
| 201 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.3 | -27 | -173.6 | -83.1 | 70.3 | 0 | 0 | 0 | 112.6 | R164 L182 F197 I228 L240 I243 V244 | R164-L201 PolarHBondContact NH1-O 3.4Å; R164-L201 PolarHBondContact NH2-O 2.89Å; L182-L201 HydrophobicContact CD1-CD1 4.1Å; L182-L201 HydrophobicContact CD2-CD1 3.86Å; F197-L201 HydrophobicContact CD1-CD1 4.3Å; F197-L201 VanDerWaalsContact O-CB 3.31Å; F197-L201 WeakPolarHBondContact O-CB 3.31Å; F197-L201 WeakPolarHBondContact O-CD1 3.28Å; F197-L201 PolarHBondContact O-N 2.95Å; L201-I228 HydrophobicContact CD2-CD1 4.1Å; L201-L240 HydrophobicContact CB-CD2 4.34Å; L201-L240 HydrophobicContact CD2-CB 4Å; L201-L240 HydrophobicContact CD2-CD1 4.36Å; L201-L240 HydrophobicContact CD2-CD2 4.07Å; L201-L240 HydrophobicContact CD2-CG 4.37Å; L201-I243 HydrophobicContact CB-CD1 4.31Å; L201-I243 HydrophobicContact CB-CG2 4.23Å; L201-I243 WeakPolarHBondContact O-CG2 3.3Å; L201-V244 HydrophobicContact CD2-CG2 4.11Å |
| 202 | C | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -89.6 | -24 | 178.9 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | T158 L159 R164 T198 I200 | T158-C202 HydrophobicContact CG2-CB 3.55Å; L159-C202 HydrophobicContact CD2-CB 3.98Å; L159-C202 HydrophobicContact CG-CB 4.34Å; R164-C202 WeakPolarHBondContact CB-O 3.37Å; R164-C202 PolarHBondContact NH1-O 3.18Å; R164-C202 PolarHBondContact NH2-O 3.06Å; T198-C202 WeakPolarHBondContact O-CB 3.49Å; T198-C202 PolarHBondContact O-N 2.95Å; T198-C202 PolarHBondContact O-SG 3.04Å; I200-C202 VanDerWaalsContact C-N 3.33Å; I200-C202 PolarHBondContact O-N 3.43Å |
| 203 | L | 98.6 | Very high | 98.3 | Very high | 55 Ų | 55 | 33.8 Ų | 33.8 | 29% | 0.288 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -109.9 | -27.6 | -170.7 | -57.2 | 175.5 | 0 | 0 | 0 | 115.2 | T158 R163 R164 D165 E199 I200 | T158-L203 HydrophobicContact CG2-CD2 3.7Å; T158-L203 HydrophobicContact CG2-CG 4.13Å; R163-L203 HydrophobicContact CB-CD2 4.43Å; R164-L203 WeakPolarHBondContact CA-O 3.36Å; D165-L203 PolarHBondContact N-O 3.44Å; E199-L203 HydrophobicContact CG-CD1 4.23Å; E199-L203 WeakPolarHBondContact O-CB 3.46Å; E199-L203 VanDerWaalsContact O-CG 3.31Å; E199-L203 WeakPolarHBondContact O-CG 3.27Å; E199-L203 PolarHBondContact O-N 2.64Å; I200-L203 PolarHBondContact O-N 3.35Å |
| 204 | R | 98.7 | Very high | 98.5 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 18% | 0.177 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -72.4 | 146.3 | 178.2 | -64.6 | -59.3 | -175.7 | -86.4 | -12 | 111.5 | R164 D178 I200 Q208 L209 | R164-R204 VanDerWaalsContact CG-O 3.26Å; R164-R204 WeakPolarHBondContact CG-O 3.37Å; R164-R204 PolarHBondContact NH1-O 2.71Å; D178-R204 IonicContact OD1-CZ 2.84Å; D178-R204 IonicContact OD1-NE 3.57Å; D178-R204 IonicContact OD1-NH2 3.34Å; D178-R204 PolarHBondContact OD1-NH2 3.22Å; D178-R204 IonicContact OD2-CZ 3.84Å; D178-R204 IonicContact OD2-NE 3.44Å; D178-R204 PolarHBondContact OD2-NE 2.72Å; D178-R204 IonicContact OD2-NH2 2.66Å; D178-R204 PolarHBondContact OD2-NH2 3.39Å; I200-R204 HydrophobicContact CG2-CG 4.17Å; I200-R204 WeakPolarHBondContact O-CB 3.31Å; I200-R204 WeakPolarHBondContact O-CG 3.21Å; I200-R204 PolarHBondContact O-N 3.13Å; I200-R204 VanDerWaalsContact O-N 3.15Å; R204-Q208 HydrophobicContact CB-CB 4.34Å; R204-Q208 HydrophobicContact CB-CG 4.18Å; R204-Q208 HydrophobicContact CG-CG 4.37Å; R204-L209 HydrophobicContact CB-CD1 4.41Å; R204-L209 HydrophobicContact CB-CD2 3.73Å; R204-L209 HydrophobicContact CB-CG 3.71Å; R204-L209 HydrophobicContact CG-CD2 4.32Å |
| 205 | S | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | trans | -62.3 | 154.1 | 174.6 | 74.1 | 0 | 0 | 0 | 0 | 110.7 | D165 S167 Q208 L209 | D165-S205 WeakPolarHBondContact O-CA 3.28Å; D165-S205 WeakPolarHBondContact O-CB 3.36Å; S167-S205 WeakPolarHBondContact O-CB 3.37Å; S167-S205 PolarHBondContact O-OG 3.15Å; S205-Q208 WeakPolarHBondContact O-CB 3.06Å; S205-Q208 PolarHBondContact O-N 3.43Å; S205-Q208 VanDerWaalsContact O-N 3.14Å; S205-Q208 VanDerWaalsContact OG-CB 3.29Å; S205-Q208 WeakPolarHBondContact OG-CB 3.16Å; S205-Q208 PolarHBondContact OG-N 3.41Å; S205-L209 PolarHBondContact O-N 3.29Å | ||
| 206 | F | 98.4 | Very high | 98.6 | Very high | 53 Ų | 53 | 31.3 Ų | 31.3 | 23% | 0.232 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.2 | -40.7 | 178.1 | -75.4 | 10.4 | 0 | 0 | 0 | 112.8 | Q208 L209 K210 C246 V247 | F206-Q208 VanDerWaalsContact C-N 3.34Å; F206-Q208 PolarHBondContact O-N 3.19Å; F206-L209 PolarHBondContact O-N 3.41Å; F206-K210 WeakPolarHBondContact O-CG 3.09Å; F206-K210 PolarHBondContact O-N 2.83Å; F206-K210 VanDerWaalsContact O-N 3.08Å; F206-C246 HydrophobicContact CE2-CB 4.07Å; F206-C246 HydrophobicContact CZ-CB 4.08Å; F206-V247 HydrophobicContact CB-CG2 4.42Å; F206-V247 HydrophobicContact CD1-CG2 3.6Å; F206-V247 HydrophobicContact CD2-CG2 4.39Å; F206-V247 HydrophobicContact CE1-CG2 3.84Å; F206-V247 HydrophobicContact CG-CG2 3.9Å; F206-V247 HydrophobicContact CZ-CG2 4.36Å |
| 207 | P | 98.4 | Very high | 98.6 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 28% | 0.279 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 171.3 | -26.4 | 36.4 | 0 | 0 | 0 | 113.1 | L168 V170 K210 L211 | L168-P207 HydrophobicContact CD2-CG 4.36Å; V170-P207 HydrophobicContact CG1-CB 3.66Å; P207-K210 PolarHBondContact O-N 3.01Å; P207-L211 PolarHBondContact O-N 3.29Å |
| 208 | Q | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 177.4 | -176.2 | 64.6 | 35.4 | 0 | 0 | 111.5 | D171 A175 R204 S205 F206 K210 L211 T212 | D171-Q208 PolarHBondContact O-NE2 3.18Å; A175-Q208 VanDerWaalsContact N-NE2 3.12Å; R204-Q208 HydrophobicContact CB-CB 4.34Å; R204-Q208 HydrophobicContact CB-CG 4.18Å; R204-Q208 HydrophobicContact CG-CG 4.37Å; S205-Q208 WeakPolarHBondContact O-CB 3.06Å; S205-Q208 PolarHBondContact O-N 3.43Å; S205-Q208 VanDerWaalsContact O-N 3.14Å; S205-Q208 VanDerWaalsContact OG-CB 3.29Å; S205-Q208 WeakPolarHBondContact OG-CB 3.16Å; S205-Q208 PolarHBondContact OG-N 3.41Å; F206-Q208 VanDerWaalsContact C-N 3.34Å; F206-Q208 PolarHBondContact O-N 3.19Å; Q208-K210 VanDerWaalsContact C-N 3.32Å; Q208-K210 PolarHBondContact O-N 3.25Å; Q208-L211 PolarHBondContact O-N 2.9Å; Q208-T212 PolarHBondContact O-N 3.43Å; Q208-T212 PolarHBondContact O-OG1 3.23Å; Q208-T212 VanDerWaalsContact O-OG1 3.11Å |
| 209 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -35.9 | 179.6 | -75.6 | 175.8 | 0 | 0 | 0 | 112.9 | I200 R204 S205 F206 L211 T212 F213 V247 | I200-L209 HydrophobicContact CG2-CD2 3.98Å; R204-L209 HydrophobicContact CB-CD1 4.41Å; R204-L209 HydrophobicContact CB-CD2 3.73Å; R204-L209 HydrophobicContact CB-CG 3.71Å; R204-L209 HydrophobicContact CG-CD2 4.32Å; S205-L209 PolarHBondContact O-N 3.29Å; F206-L209 PolarHBondContact O-N 3.41Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 3.41Å; L209-T212 PolarHBondContact O-N 2.85Å; L209-F213 HydrophobicContact CB-CE1 4.42Å; L209-F213 HydrophobicContact CB-CE2 4.19Å; L209-F213 HydrophobicContact CB-CZ 3.99Å; L209-F213 HydrophobicContact CD2-CE1 4.2Å; L209-F213 HydrophobicContact CD2-CZ 4.3Å; L209-F213 WeakPolarHBondContact O-CD1 3.29Å; L209-F213 VanDerWaalsContact O-CD2 3.3Å; L209-F213 WeakPolarHBondContact O-CD2 3.31Å; L209-F213 WeakPolarHBondContact O-CG 3.42Å; L209-F213 PolarHBondContact O-N 3.37Å; L209-V247 HydrophobicContact CB-CG1 3.85Å; L209-V247 HydrophobicContact CB-CG2 4.04Å; L209-V247 HydrophobicContact CD1-CG2 3.65Å |
| 210 | K | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 42% | 0.422 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -55.7 | -49.7 | 173.8 | -74.8 | -173 | 172.7 | 80.8 | 0 | 111 | F206 P207 Q208 F213 D214 V247 | F206-K210 WeakPolarHBondContact O-CG 3.09Å; F206-K210 PolarHBondContact O-N 2.83Å; F206-K210 VanDerWaalsContact O-N 3.08Å; P207-K210 PolarHBondContact O-N 3.01Å; Q208-K210 VanDerWaalsContact C-N 3.32Å; Q208-K210 PolarHBondContact O-N 3.25Å; K210-F213 PolarHBondContact O-N 3.46Å; K210-D214 PolarHBondContact O-N 3.4Å; K210-D214 VanDerWaalsContact O-N 3.16Å; K210-V247 WeakPolarHBondContact CE-O 3.5Å; K210-V247 HydrophobicContact CG-CG1 3.7Å; K210-V247 PolarHBondContact NZ-O 2.88Å |
| 211 | L | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 45 Ų | 45 | 29% | 0.293 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.8 | -39.8 | 176.6 | -73 | 174.3 | 0 | 0 | 0 | 112.7 | V170 A175 P207 Q208 L209 F213 D214 E215 | V170-L211 HydrophobicContact CB-CD1 3.59Å; V170-L211 HydrophobicContact CG1-CD1 3.97Å; V170-L211 HydrophobicContact CG2-CD1 3.55Å; A175-L211 HydrophobicContact CB-CB 3.89Å; P207-L211 PolarHBondContact O-N 3.29Å; Q208-L211 PolarHBondContact O-N 2.9Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 3.41Å; L211-F213 PolarHBondContact O-N 3.19Å; L211-D214 PolarHBondContact O-N 2.91Å; L211-E215 PolarHBondContact O-N 3.3Å |
| 212 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.5 | -38.1 | 174.3 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | D178 A179 L182 I200 Q208 L209 Y216 | D178-T212 HydrophobicContact CB-CG2 3.72Å; A179-T212 HydrophobicContact CB-CG2 4.24Å; L182-T212 HydrophobicContact CD1-CG2 4.06Å; I200-T212 HydrophobicContact CG2-CG2 4.5Å; Q208-T212 PolarHBondContact O-N 3.43Å; Q208-T212 PolarHBondContact O-OG1 3.23Å; Q208-T212 VanDerWaalsContact O-OG1 3.11Å; L209-T212 PolarHBondContact O-N 2.85Å; T212-Y216 VanDerWaalsContact O-CB 3.27Å; T212-Y216 WeakPolarHBondContact O-CB 3.17Å; T212-Y216 PolarHBondContact O-N 3.27Å |
| 213 | F | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.1 | -35.3 | 178.3 | -59.3 | -22.8 | 0 | 0 | 0 | 112.8 | L209 K210 L211 Y216 R217 I224 V244 V247 | L209-F213 HydrophobicContact CB-CE1 4.42Å; L209-F213 HydrophobicContact CB-CE2 4.19Å; L209-F213 HydrophobicContact CB-CZ 3.99Å; L209-F213 HydrophobicContact CD2-CE1 4.2Å; L209-F213 HydrophobicContact CD2-CZ 4.3Å; L209-F213 WeakPolarHBondContact O-CD1 3.29Å; L209-F213 VanDerWaalsContact O-CD2 3.3Å; L209-F213 WeakPolarHBondContact O-CD2 3.31Å; L209-F213 WeakPolarHBondContact O-CG 3.42Å; L209-F213 PolarHBondContact O-N 3.37Å; K210-F213 PolarHBondContact O-N 3.46Å; L211-F213 PolarHBondContact O-N 3.19Å; F213-Y216 WeakPolarHBondContact O-CB 3.22Å; F213-Y216 PolarHBondContact O-N 3.27Å; F213-R217 PolarHBondContact O-N 3.48Å; F213-I224 HydrophobicContact CB-CG2 4.3Å; F213-I224 HydrophobicContact CD1-CB 4.19Å; F213-I224 HydrophobicContact CD1-CG1 4.18Å; F213-I224 HydrophobicContact CD1-CG2 3.79Å; F213-I224 HydrophobicContact CD2-CG2 4.28Å; F213-I224 HydrophobicContact CE1-CG1 4.21Å; F213-I224 HydrophobicContact CE1-CG2 4.15Å; F213-I224 HydrophobicContact CG-CG2 3.87Å; F213-V244 HydrophobicContact CE1-CG2 4.45Å; F213-V244 HydrophobicContact CE2-CB 4.4Å; F213-V244 HydrophobicContact CE2-CG1 4.05Å; F213-V244 HydrophobicContact CE2-CG2 4.18Å; F213-V244 HydrophobicContact CZ-CB 4.49Å; F213-V244 HydrophobicContact CZ-CG1 4.49Å; F213-V244 HydrophobicContact CZ-CG2 3.8Å; F213-V247 HydrophobicContact CD2-CG1 4.17Å; F213-V247 HydrophobicContact CE2-CB 3.94Å; F213-V247 HydrophobicContact CE2-CG1 3.6Å; F213-V247 HydrophobicContact CE2-CG2 4.34Å; F213-V247 HydrophobicContact CZ-CG1 4.48Å |
| 214 | D | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 47 Ų | 47 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.4 | -46.2 | 174.2 | -67.1 | -29 | 0 | 0 | 0 | 111.1 | K210 L211 Y216 R217 N218 | K210-D214 PolarHBondContact O-N 3.4Å; K210-D214 VanDerWaalsContact O-N 3.16Å; L211-D214 PolarHBondContact O-N 2.91Å; D214-Y216 VanDerWaalsContact C-N 3.31Å; D214-Y216 PolarHBondContact O-N 3.45Å; D214-R217 PolarHBondContact O-N 3.47Å; D214-N218 PolarHBondContact O-N 2.82Å; D214-N218 VanDerWaalsContact O-N 3.13Å; D214-N218 PolarHBondContact O-ND2 3Å |
| 215 | E | 98.8 | Very high | 98.3 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.5 | -37.6 | 173.2 | -74 | -63.4 | 146.7 | 0 | 0 | 112.1 | A175 K176 A179 L211 R217 N218 I219 | A175-E215 HydrophobicContact CB-CG 4.39Å; K176-E215 HydrophobicContact CB-CG 4.23Å; A179-E215 HydrophobicContact CB-CB 3.62Å; L211-E215 PolarHBondContact O-N 3.3Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-R217 PolarHBondContact O-N 3.41Å; E215-N218 WeakPolarHBondContact O-CB 3.3Å; E215-N218 PolarHBondContact O-N 3.18Å; E215-I219 WeakPolarHBondContact O-CD1 3.14Å; E215-I219 WeakPolarHBondContact O-CG1 3.49Å; E215-I219 PolarHBondContact O-N 2.93Å |
| 216 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 175.7 | -174.3 | -91.3 | 0 | 0 | 0 | 110.8 | L182 T212 F213 D214 N218 I219 S220 I224 S227 | L182-Y216 HydrophobicContact CB-CD2 3.78Å; L182-Y216 HydrophobicContact CB-CE2 3.67Å; L182-Y216 HydrophobicContact CD1-CD2 4.49Å; T212-Y216 VanDerWaalsContact O-CB 3.27Å; T212-Y216 WeakPolarHBondContact O-CB 3.17Å; T212-Y216 PolarHBondContact O-N 3.27Å; F213-Y216 WeakPolarHBondContact O-CB 3.22Å; F213-Y216 PolarHBondContact O-N 3.27Å; D214-Y216 VanDerWaalsContact C-N 3.31Å; D214-Y216 PolarHBondContact O-N 3.45Å; Y216-N218 VanDerWaalsContact C-N 3.28Å; Y216-N218 PolarHBondContact O-N 2.66Å; Y216-I219 PolarHBondContact O-N 3.29Å; Y216-S220 WeakPolarHBondContact CD1-OG 3.48Å; Y216-S220 WeakPolarHBondContact CE1-OG 3.48Å; Y216-S220 PolarHBondContact O-N 3.31Å; Y216-S220 PolarHBondContact O-OG 2.83Å; Y216-I224 HydrophobicContact CD1-CB 4.02Å; Y216-I224 HydrophobicContact CD1-CD1 3.97Å; Y216-I224 HydrophobicContact CD2-CD1 4.02Å; Y216-I224 HydrophobicContact CE1-CB 4.31Å; Y216-I224 HydrophobicContact CE1-CD1 3.78Å; Y216-I224 HydrophobicContact CE2-CD1 3.81Å; Y216-I224 HydrophobicContact CG-CD1 4.08Å; Y216-S227 WeakPolarHBondContact OH-CB 3.27Å; Y216-S227 PolarHBondContact OH-OG 2.92Å |
| 217 | R | 98.4 | Very high | 98.1 | Very high | 118 Ų | 118 | 46.6 Ų | 46.6 | 45% | 0.445 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 177.3 | -171.6 | -176.7 | -68.7 | 160.4 | -1.7 | 112 | F213 D214 E215 I219 Q221 K222 D223 | F213-R217 PolarHBondContact O-N 3.48Å; D214-R217 PolarHBondContact O-N 3.47Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-R217 PolarHBondContact O-N 3.41Å; R217-I219 VanDerWaalsContact C-N 3.3Å; R217-I219 PolarHBondContact O-N 3.07Å; R217-Q221 WeakPolarHBondContact O-CA 3.36Å; R217-Q221 PolarHBondContact O-N 2.61Å; R217-K222 WeakPolarHBondContact CA-O 3.49Å; R217-D223 IonicContact CZ-OD2 3.64Å; R217-D223 IonicContact NE-OD2 3.74Å; R217-D223 IonicContact NH2-OD2 2.72Å; R217-D223 PolarHBondContact NH2-OD2 2.98Å |
| 218 | N | 98.1 | Very high | 98.1 | Very high | 104 Ų | 104 | 44.6 Ų | 44.6 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.6 | -35.3 | 175.7 | -68.6 | -28.8 | 0 | 0 | 0 | 112.6 | D214 E215 Y216 Q221 | D214-N218 PolarHBondContact O-N 2.82Å; D214-N218 VanDerWaalsContact O-N 3.13Å; D214-N218 PolarHBondContact O-ND2 3Å; E215-N218 WeakPolarHBondContact O-CB 3.3Å; E215-N218 PolarHBondContact O-N 3.18Å; Y216-N218 VanDerWaalsContact C-N 3.28Å; Y216-N218 PolarHBondContact O-N 2.66Å; N218-Q221 PolarHBondContact O-NE2 3.27Å |
| 219 | I | 97.7 | Very high | 98 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 26% | 0.256 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -82.2 | -49.6 | -178 | -66.5 | 159.6 | 0 | 0 | 0 | 111.7 | A179 Q180 Y183 E215 Y216 R217 | A179-I219 HydrophobicContact CB-CD1 3.75Å; Q180-I219 HydrophobicContact CB-CD1 4.42Å; Q180-I219 HydrophobicContact CG-CD1 3.53Å; Y183-I219 HydrophobicContact CD1-CG2 3.65Å; Y183-I219 HydrophobicContact CD2-CG2 4.37Å; Y183-I219 HydrophobicContact CE1-CG2 4.21Å; Y183-I219 HydrophobicContact CG-CG2 3.74Å; E215-I219 WeakPolarHBondContact O-CD1 3.14Å; E215-I219 WeakPolarHBondContact O-CG1 3.49Å; E215-I219 PolarHBondContact O-N 2.93Å; Y216-I219 PolarHBondContact O-N 3.29Å; R217-I219 VanDerWaalsContact C-N 3.3Å; R217-I219 PolarHBondContact O-N 3.07Å |
| 220 | S | 96.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -89.1 | -17 | -171.8 | 70.5 | 0 | 0 | 0 | 0 | 113.6 | Y216 K222 | Y216-S220 WeakPolarHBondContact CD1-OG 3.48Å; Y216-S220 WeakPolarHBondContact CE1-OG 3.48Å; Y216-S220 PolarHBondContact O-N 3.31Å; Y216-S220 PolarHBondContact O-OG 2.83Å; S220-K222 PolarHBondContact O-N 3.31Å; S220-K222 PolarHBondContact OG-N 3.09Å; S220-K222 VanDerWaalsContact OG-N 3.08Å; S220-K222 PolarHBondContact OG-O 3.17Å; S220-K222 VanDerWaalsContact OG-O 3.09Å |
| 221 | Q | 97.7 | Very high | 97.5 | Very high | 156 Ų | 156 | 50.5 Ų | 50.5 | 73% | 0.729 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 59.3 | 17.3 | -168.9 | -55.3 | -65.2 | -58.1 | 0 | 0 | 113.7 | R217 N218 | R217-Q221 WeakPolarHBondContact O-CA 3.36Å; R217-Q221 PolarHBondContact O-N 2.61Å; N218-Q221 PolarHBondContact O-NE2 3.27Å |
| 222 | K | 96.9 | Very high | 97.3 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -128.6 | 155.3 | 178.2 | -65.2 | 176.8 | 78.3 | -172.1 | 0 | 110.7 | E187 R217 S220 | E187-K222 VanDerWaalsContact CD-NZ 3.31Å; E187-K222 WeakPolarHBondContact OE1-CE 3.37Å; E187-K222 IonicContact OE1-NZ 2.7Å; E187-K222 PolarHBondContact OE1-NZ 3.3Å; E187-K222 IonicContact OE2-NZ 3.11Å; E187-K222 PolarHBondContact OE2-NZ 2.82Å; E187-K222 VanDerWaalsContact OE2-NZ 3.11Å; R217-K222 WeakPolarHBondContact CA-O 3.49Å; S220-K222 PolarHBondContact O-N 3.31Å; S220-K222 PolarHBondContact OG-N 3.09Å; S220-K222 VanDerWaalsContact OG-N 3.08Å; S220-K222 PolarHBondContact OG-O 3.17Å; S220-K222 VanDerWaalsContact OG-O 3.09Å |
| 223 | D | 98 | Very high | 97 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | trans | -69.7 | 146.1 | 167.7 | -162.3 | -103.9 | 0 | 0 | 0 | 110.1 | R217 V225 D226 S227 R248 | R217-D223 IonicContact CZ-OD2 3.64Å; R217-D223 IonicContact NE-OD2 3.74Å; R217-D223 IonicContact NH2-OD2 2.72Å; R217-D223 PolarHBondContact NH2-OD2 2.98Å; D223-V225 PolarHBondContact O-N 2.84Å; D223-V225 VanDerWaalsContact O-N 3.15Å; D223-V225 VanDerWaalsContact OD1-CB 3.27Å; D223-V225 WeakPolarHBondContact OD1-CB 3.24Å; D223-V225 WeakPolarHBondContact OD1-CG2 3.28Å; D223-V225 PolarHBondContact OD1-N 2.73Å; D223-V225 VanDerWaalsContact OD1-N 3.1Å; D223-D226 VanDerWaalsContact CB-OD2 3.31Å; D223-D226 WeakPolarHBondContact CB-OD2 3.4Å; D223-D226 PolarHBondContact N-OD2 3.46Å; D223-D226 WeakPolarHBondContact O-CB 3.27Å; D223-D226 PolarHBondContact O-N 3.47Å; D223-S227 PolarHBondContact O-N 2.87Å; D223-R248 IonicContact OD1-CZ 3.36Å; D223-R248 IonicContact OD1-NH1 3.72Å; D223-R248 PolarHBondContact OD1-NH1 2.75Å; D223-R248 IonicContact OD1-NH2 3.23Å; D223-R248 PolarHBondContact OD1-NH2 2.76Å; D223-R248 IonicContact OD2-CZ 2.83Å; D223-R248 IonicContact OD2-NH1 3.83Å; D223-R248 IonicContact OD2-NH2 3.72Å; D223-R248 PolarHBondContact OD2-NH2 2.78Å | ||
| 224 | I | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.7 | -30.1 | 175.8 | -171.7 | 59.3 | 0 | 0 | 0 | 112.1 | L182 F197 F213 Y216 S227 I228 V244 | L182-I224 HydrophobicContact CD1-CD1 4.27Å; F197-I224 HydrophobicContact CE1-CD1 4.09Å; F213-I224 HydrophobicContact CB-CG2 4.3Å; F213-I224 HydrophobicContact CD1-CB 4.19Å; F213-I224 HydrophobicContact CD1-CG1 4.18Å; F213-I224 HydrophobicContact CD1-CG2 3.79Å; F213-I224 HydrophobicContact CD2-CG2 4.28Å; F213-I224 HydrophobicContact CE1-CG1 4.21Å; F213-I224 HydrophobicContact CE1-CG2 4.15Å; F213-I224 HydrophobicContact CG-CG2 3.87Å; Y216-I224 HydrophobicContact CD1-CB 4.02Å; Y216-I224 HydrophobicContact CD1-CD1 3.97Å; Y216-I224 HydrophobicContact CD2-CD1 4.02Å; Y216-I224 HydrophobicContact CE1-CB 4.31Å; Y216-I224 HydrophobicContact CE1-CD1 3.78Å; Y216-I224 HydrophobicContact CE2-CD1 3.81Å; Y216-I224 HydrophobicContact CG-CD1 4.08Å; I224-S227 PolarHBondContact O-N 2.79Å; I224-I228 HydrophobicContact CG1-CD1 4.01Å; I224-I228 HydrophobicContact CG1-CG1 4.47Å; I224-I228 VanDerWaalsContact O-CG1 3.3Å; I224-I228 WeakPolarHBondContact O-CG1 3.26Å; I224-I228 PolarHBondContact O-N 3.47Å; I224-V244 HydrophobicContact CG2-CG1 3.98Å; I224-V244 HydrophobicContact CG2-CG2 4.17Å |
| 225 | V | 98.2 | Very high | 96.9 | Very high | 12 Ų | 12 | 55 Ų | 55 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.3 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | D223 S227 I228 K229 L241 V244 R248 | D223-V225 PolarHBondContact O-N 2.84Å; D223-V225 VanDerWaalsContact O-N 3.15Å; D223-V225 VanDerWaalsContact OD1-CB 3.27Å; D223-V225 WeakPolarHBondContact OD1-CB 3.24Å; D223-V225 WeakPolarHBondContact OD1-CG2 3.28Å; D223-V225 PolarHBondContact OD1-N 2.73Å; D223-V225 VanDerWaalsContact OD1-N 3.1Å; V225-S227 VanDerWaalsContact C-N 3.3Å; V225-S227 PolarHBondContact O-N 3.28Å; V225-I228 PolarHBondContact O-N 3.42Å; V225-K229 HydrophobicContact CG1-CD 3.99Å; V225-K229 HydrophobicContact CG1-CG 4.5Å; V225-K229 WeakPolarHBondContact O-CB 3.43Å; V225-K229 WeakPolarHBondContact O-CG 3.39Å; V225-K229 PolarHBondContact O-N 3.25Å; V225-L241 HydrophobicContact CB-CD2 4.26Å; V225-L241 HydrophobicContact CG1-CD2 3.81Å; V225-L241 HydrophobicContact CG2-CD2 4.21Å; V225-V244 HydrophobicContact CG2-CB 4.45Å; V225-V244 HydrophobicContact CG2-CG1 3.68Å; V225-R248 VanDerWaalsContact CG2-NH1 3.33Å |
| 226 | D | 97.8 | Very high | 96.9 | Very high | 81 Ų | 81 | 53 Ų | 53 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | -178.8 | -58.8 | -39.7 | 0 | 0 | 0 | 110.8 | D223 G230 | D223-D226 VanDerWaalsContact CB-OD2 3.31Å; D223-D226 WeakPolarHBondContact CB-OD2 3.4Å; D223-D226 PolarHBondContact N-OD2 3.46Å; D223-D226 WeakPolarHBondContact O-CB 3.27Å; D223-D226 PolarHBondContact O-N 3.47Å; D226-G230 PolarHBondContact O-N 2.75Å |
| 227 | S | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | E187 Y216 D223 I224 V225 K229 G230 E231 | E187-S227 WeakPolarHBondContact CG-OG 3.38Å; E187-S227 VanDerWaalsContact OE1-CA 3.23Å; E187-S227 WeakPolarHBondContact OE1-CA 3.49Å; E187-S227 WeakPolarHBondContact OE1-CB 3.47Å; E187-S227 PolarHBondContact OE1-OG 3.14Å; Y216-S227 WeakPolarHBondContact OH-CB 3.27Å; Y216-S227 PolarHBondContact OH-OG 2.92Å; D223-S227 PolarHBondContact O-N 2.87Å; I224-S227 PolarHBondContact O-N 2.79Å; V225-S227 VanDerWaalsContact C-N 3.3Å; V225-S227 PolarHBondContact O-N 3.28Å; S227-K229 VanDerWaalsContact C-N 3.33Å; S227-K229 PolarHBondContact O-N 3.43Å; S227-G230 PolarHBondContact O-N 3.38Å; S227-E231 VanDerWaalsContact O-CB 3.24Å; S227-E231 WeakPolarHBondContact O-CB 3.45Å; S227-E231 VanDerWaalsContact O-CG 3.25Å; S227-E231 WeakPolarHBondContact O-CG 3.42Å; S227-E231 PolarHBondContact O-N 3.17Å |
| 228 | I | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 174.7 | -72.8 | 165.9 | 0 | 0 | 0 | 110.8 | F197 L201 I224 V225 G230 E231 L232 E237 L240 L241 V244 | F197-I228 HydrophobicContact CD1-CG1 4.3Å; F197-I228 HydrophobicContact CE1-CG1 3.92Å; L201-I228 HydrophobicContact CD2-CD1 4.1Å; I224-I228 HydrophobicContact CG1-CD1 4.01Å; I224-I228 HydrophobicContact CG1-CG1 4.47Å; I224-I228 VanDerWaalsContact O-CG1 3.3Å; I224-I228 WeakPolarHBondContact O-CG1 3.26Å; I224-I228 PolarHBondContact O-N 3.47Å; V225-I228 PolarHBondContact O-N 3.42Å; I228-G230 VanDerWaalsContact C-N 3.3Å; I228-G230 PolarHBondContact O-N 2.94Å; I228-E231 PolarHBondContact O-N 2.95Å; I228-L232 HydrophobicContact CG2-CD1 4.3Å; I228-L232 WeakPolarHBondContact O-CB 3.25Å; I228-L232 PolarHBondContact O-N 3.3Å; I228-E237 HydrophobicContact CG2-CG 3.86Å; I228-L240 HydrophobicContact CD1-CB 4.1Å; I228-L240 HydrophobicContact CG2-CB 4.28Å; I228-L241 HydrophobicContact CB-CD2 4.04Å; I228-L241 HydrophobicContact CD1-CD2 4.47Å; I228-L241 HydrophobicContact CG2-CD2 3.65Å; I228-L241 HydrophobicContact CG2-CG 3.78Å; I228-V244 HydrophobicContact CD1-CG2 3.87Å |
| 229 | K | 97.1 | Very high | 96.9 | Very high | 115 Ų | 115 | 47.5 Ų | 47.5 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.5 | -27.1 | 179.3 | -71.9 | 177.7 | 174.5 | -178 | 0 | 114.3 | V225 S227 E237 L241 | V225-K229 HydrophobicContact CG1-CD 3.99Å; V225-K229 HydrophobicContact CG1-CG 4.5Å; V225-K229 WeakPolarHBondContact O-CB 3.43Å; V225-K229 WeakPolarHBondContact O-CG 3.39Å; V225-K229 PolarHBondContact O-N 3.25Å; S227-K229 VanDerWaalsContact C-N 3.33Å; S227-K229 PolarHBondContact O-N 3.43Å; K229-E237 WeakPolarHBondContact CA-OE1 3.21Å; K229-E237 WeakPolarHBondContact CG-OE1 3.45Å; K229-L241 HydrophobicContact CG-CD1 4.02Å; K229-L241 HydrophobicContact CG-CD2 4.33Å |
| 230 | G | 94.3 | Very high | 97 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -82 | -32.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D226 S227 I228 | D226-G230 PolarHBondContact O-N 2.75Å; S227-G230 PolarHBondContact O-N 3.38Å; I228-G230 VanDerWaalsContact C-N 3.3Å; I228-G230 PolarHBondContact O-N 2.94Å |
| 231 | E | 92.5 | Very high | 97.1 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -104.6 | -20.9 | -167.5 | -66.6 | -59.1 | 140.4 | 0 | 0 | 114 | T192 S227 I228 | T192-E231 HydrophobicContact CG2-CB 4.42Å; T192-E231 WeakPolarHBondContact OG1-CB 3.29Å; T192-E231 PolarHBondContact OG1-O 3.21Å; S227-E231 VanDerWaalsContact O-CB 3.24Å; S227-E231 WeakPolarHBondContact O-CB 3.45Å; S227-E231 VanDerWaalsContact O-CG 3.25Å; S227-E231 WeakPolarHBondContact O-CG 3.42Å; S227-E231 PolarHBondContact O-N 3.17Å; I228-E231 PolarHBondContact O-N 2.95Å |
| 232 | L | 94.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | trans | -124 | 166.6 | -174.2 | -60.3 | 174.8 | 0 | 0 | 0 | 111.2 | T192 E194 I228 F236 E237 L240 | T192-L232 HydrophobicContact CG2-CD2 3.69Å; T192-L232 HydrophobicContact CG2-CG 4.32Å; E194-L232 HydrophobicContact CG-CD2 3.9Å; I228-L232 HydrophobicContact CG2-CD1 4.3Å; I228-L232 WeakPolarHBondContact O-CB 3.25Å; I228-L232 PolarHBondContact O-N 3.3Å; L232-F236 HydrophobicContact CD1-CD1 3.98Å; L232-F236 HydrophobicContact CD1-CE1 3.71Å; L232-F236 HydrophobicContact CD2-CD1 3.92Å; L232-F236 HydrophobicContact CD2-CE1 3.81Å; L232-F236 HydrophobicContact CG-CD1 4.43Å; L232-F236 HydrophobicContact CG-CE1 4.38Å; L232-E237 HydrophobicContact CB-CB 4.02Å; L232-E237 HydrophobicContact CB-CG 4.25Å; L232-L240 HydrophobicContact CD1-CD1 3.5Å; L232-L240 VanDerWaalsContact CD1-CD1 3.5Å | ||
| 233 | S | 93.6 | Very high | 97.2 | Very high | 97 Ų | 97 | 34.5 Ų | 34.5 | 68% | 0.678 | 21% | 0.205 | S | C | * | . | trans | -148.1 | 161.1 | 176.6 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | E237 | S233-E237 VanDerWaalsContact CA-OE2 3.32Å; S233-E237 WeakPolarHBondContact CA-OE2 3.47Å | ||
| 234 | G | 97.4 | Very high | 97.3 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | 66 | -154.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F236 E237 D238 | G234-F236 PolarHBondContact O-N 2.97Å; G234-F236 VanDerWaalsContact O-N 3.09Å; G234-E237 WeakPolarHBondContact O-CA 3.37Å; G234-E237 VanDerWaalsContact O-CB 3.29Å; G234-E237 WeakPolarHBondContact O-CB 3.43Å; G234-E237 PolarHBondContact O-N 3.32Å; G234-D238 PolarHBondContact O-N 3.01Å; G234-D238 VanDerWaalsContact O-N 3.08Å |
| 235 | H | 98 | Very high | 97.3 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 39% | 0.394 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -25.3 | -171.3 | -57.4 | -51.7 | 0 | 0 | 0 | 114.7 | E110 F152 D238 L239 | E110-H235 HydrophobicContact CB-CB 4.45Å; E110-H235 HydrophobicContact CG-CB 4.39Å; E110-H235 IonicContact OE1-NE2 2.73Å; E110-H235 IonicContact OE2-CE1 3.26Å; F152-H235 HydrophobicContact CB-CB 4.38Å; F152-H235 HydrophobicContact CD1-CB 3.99Å; F152-H235 HydrophobicContact CD2-CB 3.74Å; F152-H235 WeakPolarHBondContact CD2-O 3.49Å; F152-H235 HydrophobicContact CE1-CB 4.13Å; F152-H235 HydrophobicContact CE2-CB 3.89Å; F152-H235 WeakPolarHBondContact CE2-O 3.49Å; F152-H235 HydrophobicContact CG-CB 3.78Å; F152-H235 HydrophobicContact CZ-CB 4.08Å; H235-D238 IonicContact ND1-OD2 3.26Å; H235-L239 WeakPolarHBondContact O-CB 3.42Å; H235-L239 PolarHBondContact O-N 2.9Å |
| 236 | F | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 6% | 0.057 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -41.7 | 174.3 | -177.3 | -122.9 | 0 | 0 | 0 | 111.5 | D151 F152 A155 E194 T198 L232 G234 L239 L240 | D151-F236 HydrophobicContact CB-CD1 3.94Å; D151-F236 HydrophobicContact CB-CD2 3.93Å; D151-F236 HydrophobicContact CB-CE1 4.04Å; D151-F236 HydrophobicContact CB-CE2 4.02Å; D151-F236 HydrophobicContact CB-CG 3.89Å; D151-F236 HydrophobicContact CB-CZ 4.06Å; F152-F236 HydrophobicContact CB-CB 4.22Å; A155-F236 HydrophobicContact CB-CD2 4.24Å; A155-F236 HydrophobicContact CB-CE2 3.87Å; E194-F236 HydrophobicContact CB-CD1 4.45Å; E194-F236 HydrophobicContact CB-CE1 3.55Å; E194-F236 HydrophobicContact CB-CZ 3.86Å; E194-F236 HydrophobicContact CG-CD1 4.11Å; E194-F236 HydrophobicContact CG-CE1 3.54Å; E194-F236 HydrophobicContact CG-CZ 4.35Å; T198-F236 WeakPolarHBondContact OG1-CE2 3.49Å; T198-F236 WeakPolarHBondContact OG1-CZ 3.4Å; L232-F236 HydrophobicContact CD1-CD1 3.98Å; L232-F236 HydrophobicContact CD1-CE1 3.71Å; L232-F236 HydrophobicContact CD2-CD1 3.92Å; L232-F236 HydrophobicContact CD2-CE1 3.81Å; L232-F236 HydrophobicContact CG-CD1 4.43Å; L232-F236 HydrophobicContact CG-CE1 4.38Å; G234-F236 PolarHBondContact O-N 2.97Å; G234-F236 VanDerWaalsContact O-N 3.09Å; F236-L239 PolarHBondContact O-N 3.28Å; F236-L240 HydrophobicContact CD2-CG 4.41Å; F236-L240 HydrophobicContact CE1-CD1 3.97Å; F236-L240 HydrophobicContact CE2-CD1 4.12Å; F236-L240 HydrophobicContact CE2-CD2 4Å; F236-L240 HydrophobicContact CE2-CG 4.02Å; F236-L240 HydrophobicContact CZ-CD1 3.69Å; F236-L240 HydrophobicContact CZ-CD2 4.31Å; F236-L240 HydrophobicContact CZ-CG 4.12Å; F236-L240 WeakPolarHBondContact O-CG 3.43Å; F236-L240 PolarHBondContact O-N 3.31Å; F236-L240 VanDerWaalsContact O-N 3.13Å |
| 237 | E | 98.5 | Very high | 97.3 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.2 | -51.1 | 171.7 | -172.2 | -161.8 | 159.7 | 0 | 0 | 110.7 | I228 K229 L232 S233 G234 L239 L240 L241 | I228-E237 HydrophobicContact CG2-CG 3.86Å; K229-E237 WeakPolarHBondContact CA-OE1 3.21Å; K229-E237 WeakPolarHBondContact CG-OE1 3.45Å; L232-E237 HydrophobicContact CB-CB 4.02Å; L232-E237 HydrophobicContact CB-CG 4.25Å; S233-E237 VanDerWaalsContact CA-OE2 3.32Å; S233-E237 WeakPolarHBondContact CA-OE2 3.47Å; G234-E237 WeakPolarHBondContact O-CA 3.37Å; G234-E237 VanDerWaalsContact O-CB 3.29Å; G234-E237 WeakPolarHBondContact O-CB 3.43Å; G234-E237 PolarHBondContact O-N 3.32Å; E237-L239 VanDerWaalsContact C-N 3.27Å; E237-L239 PolarHBondContact O-N 3.19Å; E237-L240 PolarHBondContact O-N 3.49Å; E237-L240 VanDerWaalsContact O-N 3.16Å; E237-L241 HydrophobicContact CG-CD1 4.1Å; E237-L241 HydrophobicContact CG-CG 4.44Å; E237-L241 WeakPolarHBondContact O-CG 3.35Å; E237-L241 PolarHBondContact O-N 3.01Å |
| 238 | D | 98.5 | Very high | 97.4 | Very high | 70 Ų | 70 | 37 Ų | 37 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56 | -42 | -179.8 | -66.6 | -37.8 | 0 | 0 | 0 | 112 | G234 H235 A242 | G234-D238 PolarHBondContact O-N 3.01Å; G234-D238 VanDerWaalsContact O-N 3.08Å; H235-D238 IonicContact ND1-OD2 3.26Å; D238-A242 WeakPolarHBondContact O-CB 3.29Å; D238-A242 PolarHBondContact O-N 3.14Å |
| 239 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -48.4 | 177.6 | 178.3 | 60.5 | 0 | 0 | 0 | 112.3 | T114 T118 F152 A155 L156 L159 H235 F236 E237 L241 A242 I243 | T114-L239 HydrophobicContact CG2-CD1 3.9Å; T118-L239 HydrophobicContact CG2-CD1 3.61Å; F152-L239 HydrophobicContact CD2-CB 4.03Å; F152-L239 HydrophobicContact CD2-CD2 3.83Å; F152-L239 HydrophobicContact CE2-CB 3.97Å; F152-L239 HydrophobicContact CE2-CD2 4.01Å; F152-L239 HydrophobicContact CE2-CG 4.45Å; A155-L239 HydrophobicContact CB-CD2 3.47Å; A155-L239 VanDerWaalsContact CB-CD2 3.47Å; L156-L239 HydrophobicContact CD2-CD1 3.98Å; L156-L239 HydrophobicContact CD2-CD2 3.79Å; L156-L239 HydrophobicContact CG-CD2 4.17Å; L159-L239 HydrophobicContact CD1-CD1 3.92Å; H235-L239 WeakPolarHBondContact O-CB 3.42Å; H235-L239 PolarHBondContact O-N 2.9Å; F236-L239 PolarHBondContact O-N 3.28Å; E237-L239 VanDerWaalsContact C-N 3.27Å; E237-L239 PolarHBondContact O-N 3.19Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-A242 WeakPolarHBondContact O-CB 3.28Å; L239-A242 PolarHBondContact O-N 3.32Å; L239-I243 WeakPolarHBondContact O-CG1 3.37Å; L239-I243 PolarHBondContact O-N 2.97Å |
| 240 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -37.8 | -179.5 | -64 | -167 | 0 | 0 | 0 | 111.5 | F197 L201 I228 L232 F236 E237 I243 V244 | F197-L240 HydrophobicContact CB-CD1 3.76Å; F197-L240 HydrophobicContact CD1-CD1 3.99Å; F197-L240 HydrophobicContact CG-CD1 4.21Å; L201-L240 HydrophobicContact CB-CD2 4.34Å; L201-L240 HydrophobicContact CD2-CB 4Å; L201-L240 HydrophobicContact CD2-CD1 4.36Å; L201-L240 HydrophobicContact CD2-CD2 4.07Å; L201-L240 HydrophobicContact CD2-CG 4.37Å; I228-L240 HydrophobicContact CD1-CB 4.1Å; I228-L240 HydrophobicContact CG2-CB 4.28Å; L232-L240 HydrophobicContact CD1-CD1 3.5Å; L232-L240 VanDerWaalsContact CD1-CD1 3.5Å; F236-L240 HydrophobicContact CD2-CG 4.41Å; F236-L240 HydrophobicContact CE1-CD1 3.97Å; F236-L240 HydrophobicContact CE2-CD1 4.12Å; F236-L240 HydrophobicContact CE2-CD2 4Å; F236-L240 HydrophobicContact CE2-CG 4.02Å; F236-L240 HydrophobicContact CZ-CD1 3.69Å; F236-L240 HydrophobicContact CZ-CD2 4.31Å; F236-L240 HydrophobicContact CZ-CG 4.12Å; F236-L240 WeakPolarHBondContact O-CG 3.43Å; F236-L240 PolarHBondContact O-N 3.31Å; F236-L240 VanDerWaalsContact O-N 3.13Å; E237-L240 PolarHBondContact O-N 3.49Å; E237-L240 VanDerWaalsContact O-N 3.16Å; L240-I243 HydrophobicContact CD2-CD1 4.08Å; L240-I243 WeakPolarHBondContact O-CB 3.2Å; L240-I243 PolarHBondContact O-N 2.86Å; L240-V244 WeakPolarHBondContact O-CG2 3.28Å; L240-V244 PolarHBondContact O-N 3.43Å |
| 241 | L | 98.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 172 | -69.4 | -179.5 | 0 | 0 | 0 | 111.2 | V225 I228 K229 E237 L239 I243 V244 H245 | V225-L241 HydrophobicContact CB-CD2 4.26Å; V225-L241 HydrophobicContact CG1-CD2 3.81Å; V225-L241 HydrophobicContact CG2-CD2 4.21Å; I228-L241 HydrophobicContact CB-CD2 4.04Å; I228-L241 HydrophobicContact CD1-CD2 4.47Å; I228-L241 HydrophobicContact CG2-CD2 3.65Å; I228-L241 HydrophobicContact CG2-CG 3.78Å; K229-L241 HydrophobicContact CG-CD1 4.02Å; K229-L241 HydrophobicContact CG-CD2 4.33Å; E237-L241 HydrophobicContact CG-CD1 4.1Å; E237-L241 HydrophobicContact CG-CG 4.44Å; E237-L241 WeakPolarHBondContact O-CG 3.35Å; E237-L241 PolarHBondContact O-N 3.01Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L241-I243 VanDerWaalsContact C-N 3.32Å; L241-I243 PolarHBondContact O-N 3.12Å; L241-V244 PolarHBondContact O-N 3.36Å; L241-V244 VanDerWaalsContact O-N 3.13Å; L241-H245 PolarHBondContact O-CD2 3.38Å; L241-H245 PolarHBondContact O-N 2.85Å |
| 242 | A | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T114 T118 D238 L239 H245 C246 F253 | T114-A242 HydrophobicContact CG2-CB 3.35Å; T118-A242 HydrophobicContact CG2-CB 4.14Å; D238-A242 WeakPolarHBondContact O-CB 3.29Å; D238-A242 PolarHBondContact O-N 3.14Å; L239-A242 WeakPolarHBondContact O-CB 3.28Å; L239-A242 PolarHBondContact O-N 3.32Å; A242-H245 PolarHBondContact O-N 3.13Å; A242-C246 WeakPolarHBondContact O-CB 3.37Å; A242-C246 PolarHBondContact O-N 2.91Å; A242-C246 PolarHBondContact O-SG 3.35Å; A242-F253 HydrophobicContact CB-CE2 3.75Å; A242-F253 HydrophobicContact CB-CZ 3.92Å |
| 243 | I | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -49.5 | 172.5 | -65.9 | 169.9 | 0 | 0 | 0 | 110.4 | T118 L159 L201 L239 L240 L241 H245 C246 V247 | T118-I243 HydrophobicContact CG2-CG1 3.55Å; L159-I243 HydrophobicContact CD1-CD1 4.31Å; L159-I243 HydrophobicContact CD2-CD1 4.5Å; L201-I243 HydrophobicContact CB-CD1 4.31Å; L201-I243 HydrophobicContact CB-CG2 4.23Å; L201-I243 WeakPolarHBondContact O-CG2 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.37Å; L239-I243 PolarHBondContact O-N 2.97Å; L240-I243 HydrophobicContact CD2-CD1 4.08Å; L240-I243 WeakPolarHBondContact O-CB 3.2Å; L240-I243 PolarHBondContact O-N 2.86Å; L241-I243 VanDerWaalsContact C-N 3.32Å; L241-I243 PolarHBondContact O-N 3.12Å; I243-H245 VanDerWaalsContact C-N 3.31Å; I243-H245 PolarHBondContact O-N 3.34Å; I243-C246 PolarHBondContact O-N 3.14Å; I243-V247 HydrophobicContact CG2-CG2 4.22Å; I243-V247 VanDerWaalsContact O-CG2 3.26Å; I243-V247 WeakPolarHBondContact O-CG2 3.28Å; I243-V247 PolarHBondContact O-N 3.43Å |
| 244 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 179.7 | 174.7 | 0 | 0 | 0 | 0 | 111 | L201 F213 I224 V225 I228 L240 L241 V247 R248 | L201-V244 HydrophobicContact CD2-CG2 4.11Å; F213-V244 HydrophobicContact CE1-CG2 4.45Å; F213-V244 HydrophobicContact CE2-CB 4.4Å; F213-V244 HydrophobicContact CE2-CG1 4.05Å; F213-V244 HydrophobicContact CE2-CG2 4.18Å; F213-V244 HydrophobicContact CZ-CB 4.49Å; F213-V244 HydrophobicContact CZ-CG1 4.49Å; F213-V244 HydrophobicContact CZ-CG2 3.8Å; I224-V244 HydrophobicContact CG2-CG1 3.98Å; I224-V244 HydrophobicContact CG2-CG2 4.17Å; V225-V244 HydrophobicContact CG2-CB 4.45Å; V225-V244 HydrophobicContact CG2-CG1 3.68Å; I228-V244 HydrophobicContact CD1-CG2 3.87Å; L240-V244 WeakPolarHBondContact O-CG2 3.28Å; L240-V244 PolarHBondContact O-N 3.43Å; L241-V244 PolarHBondContact O-N 3.36Å; L241-V244 VanDerWaalsContact O-N 3.13Å; V244-V247 PolarHBondContact O-N 2.99Å; V244-R248 WeakPolarHBondContact O-CG 3.44Å; V244-R248 PolarHBondContact O-N 3.17Å |
| 245 | H | 98.5 | Very high | 98.6 | Very high | 67 Ų | 67 | 25 Ų | 25 | 31% | 0.31 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63 | -44.2 | 175.9 | -71.8 | -59.5 | 0 | 0 | 0 | 112 | L241 A242 I243 R248 N249 F253 | L241-H245 PolarHBondContact O-CD2 3.38Å; L241-H245 PolarHBondContact O-N 2.85Å; A242-H245 PolarHBondContact O-N 3.13Å; I243-H245 VanDerWaalsContact C-N 3.31Å; I243-H245 PolarHBondContact O-N 3.34Å; H245-R248 PolarHBondContact O-N 3.1Å; H245-N249 CarbonylContact O-C 3.35Å; H245-N249 PolarHBondContact O-N 2.88Å; H245-F253 HydrophobicContact CB-CB 4.16Å; H245-F253 HydrophobicContact CB-CD2 4.01Å; H245-F253 HydrophobicContact CB-CG 4.41Å |
| 246 | C | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.4 | -69.7 | 0 | 0 | 0 | 0 | 112.4 | F206 A242 I243 R248 T250 F253 | F206-C246 HydrophobicContact CE2-CB 4.07Å; F206-C246 HydrophobicContact CZ-CB 4.08Å; A242-C246 WeakPolarHBondContact O-CB 3.37Å; A242-C246 PolarHBondContact O-N 2.91Å; A242-C246 PolarHBondContact O-SG 3.35Å; I243-C246 PolarHBondContact O-N 3.14Å; C246-R248 PolarHBondContact O-N 3.11Å; C246-T250 PolarHBondContact O-N 3.29Å; C246-T250 PolarHBondContact O-OG1 3.02Å; C246-F253 VanDerWaalsContact SG-CD1 3.54Å |
| 247 | V | 98.4 | Very high | 98.7 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.2 | -40.1 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | F206 L209 K210 F213 I243 V244 | F206-V247 HydrophobicContact CB-CG2 4.42Å; F206-V247 HydrophobicContact CD1-CG2 3.6Å; F206-V247 HydrophobicContact CD2-CG2 4.39Å; F206-V247 HydrophobicContact CE1-CG2 3.84Å; F206-V247 HydrophobicContact CG-CG2 3.9Å; F206-V247 HydrophobicContact CZ-CG2 4.36Å; L209-V247 HydrophobicContact CB-CG1 3.85Å; L209-V247 HydrophobicContact CB-CG2 4.04Å; L209-V247 HydrophobicContact CD1-CG2 3.65Å; K210-V247 WeakPolarHBondContact CE-O 3.5Å; K210-V247 HydrophobicContact CG-CG1 3.7Å; K210-V247 PolarHBondContact NZ-O 2.88Å; F213-V247 HydrophobicContact CD2-CG1 4.17Å; F213-V247 HydrophobicContact CE2-CB 3.94Å; F213-V247 HydrophobicContact CE2-CG1 3.6Å; F213-V247 HydrophobicContact CE2-CG2 4.34Å; F213-V247 HydrophobicContact CZ-CG1 4.48Å; I243-V247 HydrophobicContact CG2-CG2 4.22Å; I243-V247 VanDerWaalsContact O-CG2 3.26Å; I243-V247 WeakPolarHBondContact O-CG2 3.28Å; I243-V247 PolarHBondContact O-N 3.43Å; V244-V247 PolarHBondContact O-N 2.99Å |
| 248 | R | 98.3 | Very high | 98.7 | Very high | 98 Ų | 98 | 22.3 Ų | 22.3 | 37% | 0.37 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -75.5 | -54.5 | 179.9 | -72.6 | 173.4 | 173.9 | 171.9 | -0.5 | 112.2 | D223 V225 V244 H245 C246 | D223-R248 IonicContact OD1-CZ 3.36Å; D223-R248 IonicContact OD1-NH1 3.72Å; D223-R248 PolarHBondContact OD1-NH1 2.75Å; D223-R248 IonicContact OD1-NH2 3.23Å; D223-R248 PolarHBondContact OD1-NH2 2.76Å; D223-R248 IonicContact OD2-CZ 2.83Å; D223-R248 IonicContact OD2-NH1 3.83Å; D223-R248 IonicContact OD2-NH2 3.72Å; D223-R248 PolarHBondContact OD2-NH2 2.78Å; V225-R248 VanDerWaalsContact CG2-NH1 3.33Å; V244-R248 WeakPolarHBondContact O-CG 3.44Å; V244-R248 PolarHBondContact O-N 3.17Å; H245-R248 PolarHBondContact O-N 3.1Å; C246-R248 PolarHBondContact O-N 3.11Å |
| 249 | N | 98.4 | Very high | 98.7 | Very high | 51 Ų | 51 | 20 Ų | 20 | 27% | 0.273 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -162.1 | 88.6 | -174.8 | -169.7 | -23.9 | 0 | 0 | 0 | 110.7 | H245 P251 A252 F253 E290 | H245-N249 CarbonylContact O-C 3.35Å; H245-N249 PolarHBondContact O-N 2.88Å; N249-P251 WeakPolarHBondContact OD1-CD 3.28Å; N249-A252 HydrophobicContact CB-CB 3.91Å; N249-A252 VanDerWaalsContact CG-CB 3.46Å; N249-A252 PolarHBondContact O-N 2.74Å; N249-A252 PolarHBondContact OD1-N 3.47Å; N249-F253 PolarHBondContact O-N 2.91Å; N249-F253 VanDerWaalsContact O-N 3.1Å; N249-E290 VanDerWaalsContact ND2-CD 3.32Å; N249-E290 PolarHBondContact ND2-OE1 3.48Å |
| 250 | T | 98.6 | Very high | 98.6 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 14% | 0.141 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55 | -44.4 | 175.3 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | T119 C246 A252 F253 L254 | T119-T250 HydrophobicContact CG2-CG2 3.98Å; C246-T250 PolarHBondContact O-N 3.29Å; C246-T250 PolarHBondContact O-OG1 3.02Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 3.28Å; T250-F253 WeakPolarHBondContact O-CB 3.4Å; T250-F253 PolarHBondContact O-N 3.44Å; T250-L254 HydrophobicContact CG2-CD1 3.93Å; T250-L254 HydrophobicContact CG2-CG 4.44Å; T250-L254 PolarHBondContact O-N 2.96Å |
| 251 | P | 98.9 | Very high | 98.6 | Very high | 21 Ų | 21 | 26.8 Ų | 26.8 | 14% | 0.136 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56 | -42.5 | 174.9 | -29.3 | 35.5 | 0 | 0 | 0 | 114.2 | N249 L254 A255 D286 I287 E290 | N249-P251 WeakPolarHBondContact OD1-CD 3.28Å; P251-L254 PolarHBondContact O-N 3.09Å; P251-A255 WeakPolarHBondContact O-CB 3.43Å; P251-A255 PolarHBondContact O-N 3.42Å; P251-D286 HydrophobicContact CB-CB 3.89Å; P251-D286 HydrophobicContact CG-CB 3.84Å; P251-I287 HydrophobicContact CB-CG1 4.02Å; P251-E290 HydrophobicContact CB-CG 4.22Å |
| 252 | A | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 26.2 Ų | 26.2 | 13% | 0.132 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N249 T250 L254 A255 E256 E290 | N249-A252 HydrophobicContact CB-CB 3.91Å; N249-A252 VanDerWaalsContact CG-CB 3.46Å; N249-A252 PolarHBondContact O-N 2.74Å; N249-A252 PolarHBondContact OD1-N 3.47Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 3.28Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 3.42Å; A252-A255 WeakPolarHBondContact O-CB 3.28Å; A252-A255 PolarHBondContact O-N 3.43Å; A252-E256 PolarHBondContact O-N 2.67Å; A252-E290 HydrophobicContact CB-CB 4.02Å; A252-E290 HydrophobicContact CB-CG 3.96Å |
| 253 | F | 98.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.8 | -46.1 | 173 | 169.5 | -103.7 | 0 | 0 | 0 | 111.6 | E115 T119 A242 H245 C246 N249 T250 E256 R257 | E115-F253 HydrophobicContact CG-CE1 4.27Å; T119-F253 HydrophobicContact CG2-CD1 3.77Å; T119-F253 HydrophobicContact CG2-CE1 3.66Å; A242-F253 HydrophobicContact CB-CE2 3.75Å; A242-F253 HydrophobicContact CB-CZ 3.92Å; H245-F253 HydrophobicContact CB-CB 4.16Å; H245-F253 HydrophobicContact CB-CD2 4.01Å; H245-F253 HydrophobicContact CB-CG 4.41Å; C246-F253 VanDerWaalsContact SG-CD1 3.54Å; N249-F253 PolarHBondContact O-N 2.91Å; N249-F253 VanDerWaalsContact O-N 3.1Å; T250-F253 WeakPolarHBondContact O-CB 3.4Å; T250-F253 PolarHBondContact O-N 3.44Å; F253-E256 WeakPolarHBondContact O-CB 3.46Å; F253-E256 PolarHBondContact O-N 3.38Å; F253-R257 HydrophobicContact CE1-CG 4.17Å; F253-R257 HydrophobicContact CE2-CG 4.3Å; F253-R257 HydrophobicContact CZ-CG 4.02Å; F253-R257 WeakPolarHBondContact O-CG 3.28Å; F253-R257 PolarHBondContact O-N 2.54Å; F253-R257 VanDerWaalsContact O-N 3.07Å |
| 254 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.4 | -33.3 | 179 | -70.9 | 169.4 | 0 | 0 | 0 | 112.6 | E115 T119 T250 P251 A252 E256 R257 L258 I275 R279 I287 | E115-L254 HydrophobicContact CG-CD2 4.06Å; T119-L254 HydrophobicContact CG2-CD1 4.41Å; T119-L254 HydrophobicContact CG2-CD2 4Å; T119-L254 HydrophobicContact CG2-CG 4.25Å; T250-L254 HydrophobicContact CG2-CD1 3.93Å; T250-L254 HydrophobicContact CG2-CG 4.44Å; T250-L254 PolarHBondContact O-N 2.96Å; P251-L254 PolarHBondContact O-N 3.09Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 3.42Å; L254-E256 VanDerWaalsContact C-N 3.31Å; L254-R257 PolarHBondContact O-N 2.97Å; L254-L258 WeakPolarHBondContact O-CG 3.19Å; L254-L258 PolarHBondContact O-N 3.3Å; L254-I275 HydrophobicContact CB-CG2 4.47Å; L254-I275 HydrophobicContact CD2-CD1 4.33Å; L254-I275 HydrophobicContact CD2-CG1 4.32Å; L254-I275 HydrophobicContact CD2-CG2 4.45Å; L254-R279 HydrophobicContact CD1-CG 4.01Å; L254-I287 HydrophobicContact CB-CD1 3.78Å; L254-I287 HydrophobicContact CB-CG1 4.06Å; L254-I287 HydrophobicContact CD1-CD1 3.79Å; L254-I287 HydrophobicContact CG-CD1 4.44Å |
| 255 | A | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P251 A252 L258 H259 I287 E290 F291 | P251-A255 WeakPolarHBondContact O-CB 3.43Å; P251-A255 PolarHBondContact O-N 3.42Å; A252-A255 WeakPolarHBondContact O-CB 3.28Å; A252-A255 PolarHBondContact O-N 3.43Å; A255-L258 PolarHBondContact O-N 2.74Å; A255-H259 WeakPolarHBondContact O-CB 3.31Å; A255-H259 PolarHBondContact O-N 3.32Å; A255-I287 HydrophobicContact CB-CG2 4.13Å; A255-E290 HydrophobicContact CB-CB 4.2Å; A255-F291 HydrophobicContact CB-CB 3.88Å; A255-F291 HydrophobicContact CB-CD2 4.3Å; A255-F291 WeakPolarHBondContact O-CD2 3.31Å |
| 256 | E | 98.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 40.3 Ų | 40.3 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 174.5 | -178.2 | 179.7 | 178.3 | 0 | 0 | 112.5 | A252 F253 L254 L258 H259 R260 Y295 | A252-E256 PolarHBondContact O-N 2.67Å; F253-E256 WeakPolarHBondContact O-CB 3.46Å; F253-E256 PolarHBondContact O-N 3.38Å; L254-E256 VanDerWaalsContact C-N 3.31Å; E256-L258 VanDerWaalsContact C-N 3.35Å; E256-L258 PolarHBondContact O-N 3.47Å; E256-H259 PolarHBondContact O-N 3.24Å; E256-R260 WeakPolarHBondContact O-CG 3.39Å; E256-R260 PolarHBondContact O-N 3.31Å; E256-R260 IonicContact OE1-CZ 3.46Å; E256-R260 VanDerWaalsContact OE1-CZ 3.32Å; E256-R260 IonicContact OE1-NE 2.76Å; E256-R260 PolarHBondContact OE1-NE 3.35Å; E256-R260 IonicContact OE1-NH2 3.88Å; E256-R260 PolarHBondContact OE1-NH2 2.54Å; E256-Y295 VanDerWaalsContact CA-OH 3.24Å; E256-Y295 WeakPolarHBondContact CA-OH 3.39Å |
| 257 | R | 98.7 | Very high | 96.6 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.8 | -67 | -68.9 | -60.2 | 153.5 | 4.7 | 111.8 | D111 E115 F253 L254 R260 A261 I275 | D111-R257 IonicContact OD2-CZ 2.78Å; D111-R257 IonicContact OD2-NH1 3.7Å; D111-R257 PolarHBondContact OD2-NH1 3.45Å; D111-R257 IonicContact OD2-NH2 3.52Å; E115-R257 IonicContact OE2-CZ 2.74Å; E115-R257 IonicContact OE2-NE 3.77Å; E115-R257 PolarHBondContact OE2-NE 2.8Å; E115-R257 IonicContact OE2-NH2 3.47Å; E115-R257 PolarHBondContact OE2-NH2 3.46Å; F253-R257 HydrophobicContact CE1-CG 4.17Å; F253-R257 HydrophobicContact CE2-CG 4.3Å; F253-R257 HydrophobicContact CZ-CG 4.02Å; F253-R257 WeakPolarHBondContact O-CG 3.28Å; F253-R257 PolarHBondContact O-N 2.54Å; F253-R257 VanDerWaalsContact O-N 3.07Å; L254-R257 PolarHBondContact O-N 2.97Å; R257-R260 PolarHBondContact O-N 2.87Å; R257-A261 WeakPolarHBondContact O-CB 3.45Å; R257-A261 PolarHBondContact O-N 3.45Å; R257-I275 HydrophobicContact CB-CD1 3.53Å |
| 258 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174 | -78.2 | 169.3 | 0 | 0 | 0 | 112.1 | L254 A255 E256 R260 A261 L262 L272 I275 M276 I287 F291 L299 | L254-L258 WeakPolarHBondContact O-CG 3.19Å; L254-L258 PolarHBondContact O-N 3.3Å; A255-L258 PolarHBondContact O-N 2.74Å; E256-L258 VanDerWaalsContact C-N 3.35Å; E256-L258 PolarHBondContact O-N 3.47Å; L258-R260 VanDerWaalsContact C-N 3.34Å; L258-R260 PolarHBondContact O-N 2.72Å; L258-A261 PolarHBondContact O-N 3.06Å; L258-A261 VanDerWaalsContact O-N 3.16Å; L258-L262 WeakPolarHBondContact O-CG 3.4Å; L258-L262 PolarHBondContact O-N 2.9Å; L258-L272 HydrophobicContact CD2-CD1 3.64Å; L258-I275 HydrophobicContact CD1-CG2 3.79Å; L258-I275 HydrophobicContact CD2-CB 3.86Å; L258-I275 HydrophobicContact CD2-CD1 4.2Å; L258-I275 HydrophobicContact CD2-CG2 3.91Å; L258-I275 HydrophobicContact CG-CB 4.16Å; L258-I275 HydrophobicContact CG-CD1 4Å; L258-I275 HydrophobicContact CG-CG2 3.74Å; L258-M276 HydrophobicContact CD2-CG 4.31Å; L258-M276 HydrophobicContact CD2-SD 4.33Å; L258-I287 HydrophobicContact CD1-CG2 3.55Å; L258-F291 HydrophobicContact CB-CD2 4.28Å; L258-F291 HydrophobicContact CB-CE2 4.16Å; L258-L299 HydrophobicContact CB-CD1 4.29Å; L258-L299 HydrophobicContact CD1-CD1 4.01Å; L258-L299 HydrophobicContact CD1-CD2 3.8Å |
| 259 | H | 98.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 178.6 | 169.1 | -93.3 | 0 | 0 | 0 | 111.4 | A255 E256 A261 L262 K263 F291 Y295 Y297 | A255-H259 WeakPolarHBondContact O-CB 3.31Å; A255-H259 PolarHBondContact O-N 3.32Å; E256-H259 PolarHBondContact O-N 3.24Å; H259-A261 VanDerWaalsContact C-N 3.3Å; H259-A261 PolarHBondContact O-N 3.04Å; H259-L262 PolarHBondContact O-N 3.31Å; H259-K263 WeakPolarHBondContact CE1-CD 3.41Å; H259-K263 WeakPolarHBondContact O-CB 3.41Å; H259-K263 PolarHBondContact O-N 3.33Å; H259-F291 HydrophobicContact CB-CD2 4.38Å; H259-F291 HydrophobicContact CB-CE2 3.66Å; H259-F291 HydrophobicContact CB-CZ 4.15Å; H259-Y295 HydrophobicContact CB-CD2 3.86Å; H259-Y295 HydrophobicContact CB-CE1 4.08Å; H259-Y295 HydrophobicContact CB-CE2 3.29Å; H259-Y295 HydrophobicContact CB-CG 4.47Å; H259-Y295 VanDerWaalsContact CB-CZ 3.42Å; H259-Y295 AromaticContact CD2-CD1 3.42Å; H259-Y295 VanDerWaalsContact CD2-CD1 3.42Å; H259-Y295 WeakPolarHBondContact CD2-CD1 3.46Å; H259-Y295 AromaticContact CD2-CD2 3.81Å; H259-Y295 AromaticContact CD2-CE1 3.58Å; H259-Y295 AromaticContact CD2-CE2 3.96Å; H259-Y295 AromaticContact CD2-CG 3.55Å; H259-Y295 AromaticContact CD2-CZ 3.85Å; H259-Y295 AromaticContact CE1-CD1 3.91Å; H259-Y295 AromaticContact CE1-CE1 3.6Å; H259-Y295 AromaticContact CG-CD1 3.82Å; H259-Y295 AromaticContact CG-CD2 3.95Å; H259-Y295 AromaticContact CG-CE1 3.47Å; H259-Y295 VanDerWaalsContact CG-CE1 3.47Å; H259-Y295 AromaticContact CG-CE2 3.61Å; H259-Y295 AromaticContact CG-CZ 3.36Å; H259-Y295 AromaticContact ND1-CE1 3.5Å; H259-Y295 AromaticContact ND1-CZ 3.64Å; H259-Y295 AromaticContact NE2-CD1 3.5Å; H259-Y295 AromaticContact NE2-CE1 3.68Å; H259-Y297 PolarHBondContact CD2-OH 3.22Å |
| 260 | R | 97.9 | Very high | 96.4 | Very high | 139 Ų | 139 | 42.9 Ų | 42.9 | 53% | 0.525 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -36 | 173.9 | -68.8 | 178.2 | -172.1 | -165 | 3.6 | 112.3 | E256 R257 L258 L262 | E256-R260 WeakPolarHBondContact O-CG 3.39Å; E256-R260 PolarHBondContact O-N 3.31Å; E256-R260 IonicContact OE1-CZ 3.46Å; E256-R260 VanDerWaalsContact OE1-CZ 3.32Å; E256-R260 IonicContact OE1-NE 2.76Å; E256-R260 PolarHBondContact OE1-NE 3.35Å; E256-R260 IonicContact OE1-NH2 3.88Å; E256-R260 PolarHBondContact OE1-NH2 2.54Å; R257-R260 PolarHBondContact O-N 2.87Å; L258-R260 VanDerWaalsContact C-N 3.34Å; L258-R260 PolarHBondContact O-N 2.72Å; R260-L262 VanDerWaalsContact C-N 3.34Å |
| 261 | A | 98.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.5 | -28.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R257 L258 H259 T267 D268 T271 | R257-A261 WeakPolarHBondContact O-CB 3.45Å; R257-A261 PolarHBondContact O-N 3.45Å; L258-A261 PolarHBondContact O-N 3.06Å; L258-A261 VanDerWaalsContact O-N 3.16Å; H259-A261 VanDerWaalsContact C-N 3.3Å; H259-A261 PolarHBondContact O-N 3.04Å; A261-T267 CarbonylContact O-C 3.31Å; A261-T267 WeakPolarHBondContact O-CA 3.4Å; A261-D268 HydrophobicContact CB-CB 4.1Å; A261-D268 PolarHBondContact O-N 3.27Å; A261-T271 HydrophobicContact CB-CG2 3.88Å |
| 262 | L | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -94.2 | -29.4 | 179.6 | -69.8 | 163.2 | 0 | 0 | 0 | 112.6 | L258 H259 R260 T267 L272 L299 A302 I303 D306 | L258-L262 WeakPolarHBondContact O-CG 3.4Å; L258-L262 PolarHBondContact O-N 2.9Å; H259-L262 PolarHBondContact O-N 3.31Å; R260-L262 VanDerWaalsContact C-N 3.34Å; L262-T267 HydrophobicContact CD2-CG2 4.25Å; L262-L272 HydrophobicContact CD1-CD1 4.41Å; L262-L272 HydrophobicContact CD2-CD1 4.26Å; L262-L272 HydrophobicContact CD2-CD2 3.78Å; L262-L272 HydrophobicContact CG-CD1 4.39Å; L262-L299 HydrophobicContact CD1-CD1 3.97Å; L262-A302 HydrophobicContact CD1-CB 3.86Å; L262-I303 HydrophobicContact CD1-CG1 4.33Å; L262-D306 HydrophobicContact CD2-CB 4.02Å |
| 263 | K | 91.8 | Very high | 96.3 | Very high | 139 Ų | 139 | 40.5 Ų | 40.5 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -82.9 | 129.5 | -174.8 | 179.5 | 176.8 | 176.6 | 178.8 | 0 | 112.1 | H259 | H259-K263 WeakPolarHBondContact CE1-CD 3.41Å; H259-K263 WeakPolarHBondContact O-CB 3.41Å; H259-K263 PolarHBondContact O-N 3.33Å |
| 264 | G | 88.1 | Confident | 96.3 | Very high | 56 Ų | 56 | 39.8 Ų | 39.8 | 58% | 0.577 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 122.4 | -157.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G266 | G264-G266 PolarHBondContact O-N 3.42Š|
| 265 | A | 85.5 | Confident | 96.3 | Very high | 117 Ų | 117 | 39.8 Ų | 39.8 | 97% | 0.967 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -84 | 99.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 266 | G | 89.6 | Confident | 96.3 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 59% | 0.588 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 92.8 | 155.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | G264 | G264-G266 PolarHBondContact O-N 3.42Š|
| 267 | T | 96.5 | Very high | 96.4 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 14% | 0.135 | 22% | 0.22 | C | C | . | . | trans | -98.9 | 142.4 | 177.5 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | A261 L262 E269 L272 | A261-T267 CarbonylContact O-C 3.31Å; A261-T267 WeakPolarHBondContact O-CA 3.4Å; L262-T267 HydrophobicContact CD2-CG2 4.25Å; T267-E269 HydrophobicContact CG2-CG 4.03Å; T267-E269 VanDerWaalsContact O-CD 3.26Å; T267-E269 PolarHBondContact O-N 3.02Å; T267-E269 VanDerWaalsContact O-OE2 3.06Å; T267-L272 HydrophobicContact CG2-CD2 3.84Å | ||
| 268 | D | 97.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 37.5 Ų | 37.5 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | trans | -86 | 85.8 | 162.9 | 177.5 | -1.1 | 0 | 0 | 0 | 109 | A261 F270 T271 L272 | A261-D268 HydrophobicContact CB-CB 4.1Å; A261-D268 PolarHBondContact O-N 3.27Å; D268-F270 PolarHBondContact O-N 2.87Å; D268-F270 WeakPolarHBondContact OD1-CB 3.48Å; D268-F270 PolarHBondContact OD1-N 3.08Å; D268-F270 VanDerWaalsContact OD1-N 3.09Å; D268-T271 PolarHBondContact O-N 3.33Å; D268-T271 PolarHBondContact OD1-N 2.99Å; D268-T271 WeakPolarHBondContact OD2-CB 3.12Å; D268-T271 PolarHBondContact OD2-OG1 3.25Å; D268-L272 WeakPolarHBondContact O-CB 3.46Å; D268-L272 PolarHBondContact O-N 3.2Å | ||
| 269 | E | 97.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 38 Ų | 38 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -20.5 | -177.7 | -57.8 | 86.6 | 178.8 | 0 | 0 | 112.2 | H79 T267 N273 Y311 | H79-E269 IonicContact CE1-OE1 3.78Å; H79-E269 IonicContact CE1-OE2 3.22Å; H79-E269 PolarHBondContact CE1-OE2 2.7Å; H79-E269 VanDerWaalsContact ND1-CB 3.29Å; H79-E269 WeakPolarHBondContact ND1-CB 3.3Å; H79-E269 WeakPolarHBondContact ND1-CG 3.29Å; H79-E269 IonicContact ND1-OE2 3.8Å; H79-E269 IonicContact NE2-OE1 3.2Å; H79-E269 IonicContact NE2-OE2 2.7Å; T267-E269 HydrophobicContact CG2-CG 4.03Å; T267-E269 VanDerWaalsContact O-CD 3.26Å; T267-E269 PolarHBondContact O-N 3.02Å; T267-E269 VanDerWaalsContact O-OE2 3.06Å; E269-N273 WeakPolarHBondContact O-CB 3.3Å; E269-N273 PolarHBondContact O-N 3.14Å; E269-N273 PolarHBondContact O-ND2 3.29Å; E269-N273 PolarHBondContact O-OD1 2.83Å; E269-Y311 HydrophobicContact CB-CE1 4.42Å; E269-Y311 WeakPolarHBondContact CB-OH 3.36Å; E269-Y311 HydrophobicContact CG-CE1 3.9Å |
| 270 | F | 95.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 37.1 Ų | 37.1 | 36% | 0.36 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.9 | -45.1 | 177 | -60.9 | -52.7 | 0 | 0 | 0 | 111.5 | K101 D268 R274 | K101-F270 VanDerWaalsContact NZ-CZ 3.35Å; D268-F270 PolarHBondContact O-N 2.87Å; D268-F270 WeakPolarHBondContact OD1-CB 3.48Å; D268-F270 PolarHBondContact OD1-N 3.08Å; D268-F270 VanDerWaalsContact OD1-N 3.09Å; F270-R274 VanDerWaalsContact O-CB 3.22Å; F270-R274 WeakPolarHBondContact O-CB 3.17Å; F270-R274 PolarHBondContact O-N 3.27Å; F270-R274 PolarHBondContact O-NH1 3.19Å |
| 271 | T | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.2 | -43.9 | 173.2 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | A261 D268 N273 R274 I275 | A261-T271 HydrophobicContact CB-CG2 3.88Å; D268-T271 PolarHBondContact O-N 3.33Å; D268-T271 PolarHBondContact OD1-N 2.99Å; D268-T271 WeakPolarHBondContact OD2-CB 3.12Å; D268-T271 PolarHBondContact OD2-OG1 3.25Å; T271-N273 PolarHBondContact O-N 2.68Å; T271-R274 PolarHBondContact O-N 3.23Å; T271-R274 PolarHBondContact OG1-NH2 3.34Å; T271-I275 HydrophobicContact CG2-CD1 3.72Å; T271-I275 HydrophobicContact CG2-CG1 4.37Å; T271-I275 WeakPolarHBondContact O-CG1 3.4Å; T271-I275 PolarHBondContact O-N 3.23Å |
| 272 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.3 | -51.5 | 176.7 | -177.2 | 57.1 | 0 | 0 | 0 | 111.5 | L258 L262 T267 D268 R274 I275 M276 T307 L315 | L258-L272 HydrophobicContact CD2-CD1 3.64Å; L262-L272 HydrophobicContact CD1-CD1 4.41Å; L262-L272 HydrophobicContact CD2-CD1 4.26Å; L262-L272 HydrophobicContact CD2-CD2 3.78Å; L262-L272 HydrophobicContact CG-CD1 4.39Å; T267-L272 HydrophobicContact CG2-CD2 3.84Å; D268-L272 WeakPolarHBondContact O-CB 3.46Å; D268-L272 PolarHBondContact O-N 3.2Å; L272-R274 PolarHBondContact O-N 2.93Å; L272-I275 PolarHBondContact O-N 2.9Å; L272-M276 HydrophobicContact CD1-CG 3.78Å; L272-M276 HydrophobicContact CG-CG 4.39Å; L272-M276 VanDerWaalsContact O-CB 3.28Å; L272-M276 WeakPolarHBondContact O-CB 3.46Å; L272-M276 WeakPolarHBondContact O-CG 3.37Å; L272-M276 PolarHBondContact O-N 2.74Å; L272-T307 HydrophobicContact CD2-CG2 4Å; L272-L315 HydrophobicContact CD2-CD1 3.63Å; L272-L315 HydrophobicContact CG-CD1 4.15Å; L272-L315 HydrophobicContact CG-CD2 4.2Å |
| 273 | N | 98.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 177.7 | -73.9 | -7.2 | 0 | 0 | 0 | 112.2 | L83 E269 T271 V277 Y311 | L83-N273 HydrophobicContact CD1-CB 4.36Å; E269-N273 WeakPolarHBondContact O-CB 3.3Å; E269-N273 PolarHBondContact O-N 3.14Å; E269-N273 PolarHBondContact O-ND2 3.29Å; E269-N273 PolarHBondContact O-OD1 2.83Å; T271-N273 PolarHBondContact O-N 2.68Å; N273-V277 VanDerWaalsContact O-CB 3.31Å; N273-V277 WeakPolarHBondContact O-CB 3.11Å; N273-V277 VanDerWaalsContact O-CG2 3.29Å; N273-V277 WeakPolarHBondContact O-CG2 3.48Å; N273-V277 PolarHBondContact O-N 3.29Å; N273-Y311 WeakPolarHBondContact OD1-CE2 3.13Å; N273-Y311 VanDerWaalsContact OD1-CZ 3.27Å; N273-Y311 PolarHBondContact OD1-OH 3.28Å |
| 274 | R | 98.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -48.7 | -178.1 | 179.2 | 173.7 | 63.6 | -100.5 | -2.5 | 111.5 | F94 Q98 E115 F270 T271 L272 S278 | F94-R274 HydrophobicContact CE1-CG 4.27Å; F94-R274 HydrophobicContact CZ-CB 4.45Å; Q98-R274 HydrophobicContact CG-CG 4.02Å; E115-R274 IonicContact OE1-CZ 3.28Å; E115-R274 IonicContact OE1-NE 3.32Å; E115-R274 PolarHBondContact OE1-NE 3.47Å; E115-R274 IonicContact OE1-NH2 2.74Å; E115-R274 PolarHBondContact OE1-NH2 3.38Å; E115-R274 IonicContact OE2-CZ 3.46Å; E115-R274 IonicContact OE2-NE 3.05Å; E115-R274 IonicContact OE2-NH2 3.96Å; E115-R274 PolarHBondContact OE2-NH2 3.26Å; F270-R274 VanDerWaalsContact O-CB 3.22Å; F270-R274 WeakPolarHBondContact O-CB 3.17Å; F270-R274 PolarHBondContact O-N 3.27Å; F270-R274 PolarHBondContact O-NH1 3.19Å; T271-R274 PolarHBondContact O-N 3.23Å; T271-R274 PolarHBondContact OG1-NH2 3.34Å; L272-R274 PolarHBondContact O-N 2.93Å; R274-S278 WeakPolarHBondContact O-CB 3.25Å; R274-S278 PolarHBondContact O-N 3.31Å; R274-S278 PolarHBondContact O-OG 2.86Å |
| 275 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.5 | -48.7 | -178.7 | -61.5 | 173.3 | 0 | 0 | 0 | 110 | E115 L254 R257 L258 T271 L272 V277 S278 R279 | E115-I275 WeakPolarHBondContact OE1-CG1 3.21Å; L254-I275 HydrophobicContact CB-CG2 4.47Å; L254-I275 HydrophobicContact CD2-CD1 4.33Å; L254-I275 HydrophobicContact CD2-CG1 4.32Å; L254-I275 HydrophobicContact CD2-CG2 4.45Å; R257-I275 HydrophobicContact CB-CD1 3.53Å; L258-I275 HydrophobicContact CD1-CG2 3.79Å; L258-I275 HydrophobicContact CD2-CB 3.86Å; L258-I275 HydrophobicContact CD2-CD1 4.2Å; L258-I275 HydrophobicContact CD2-CG2 3.91Å; L258-I275 HydrophobicContact CG-CB 4.16Å; L258-I275 HydrophobicContact CG-CD1 4Å; L258-I275 HydrophobicContact CG-CG2 3.74Å; T271-I275 HydrophobicContact CG2-CD1 3.72Å; T271-I275 HydrophobicContact CG2-CG1 4.37Å; T271-I275 WeakPolarHBondContact O-CG1 3.4Å; T271-I275 PolarHBondContact O-N 3.23Å; L272-I275 PolarHBondContact O-N 2.9Å; I275-V277 VanDerWaalsContact C-N 3.31Å; I275-V277 PolarHBondContact O-N 2.83Å; I275-S278 PolarHBondContact O-N 3.4Å; I275-R279 HydrophobicContact CG2-CG 3.92Å; I275-R279 VanDerWaalsContact O-CB 3.28Å; I275-R279 WeakPolarHBondContact O-CB 3.39Å; I275-R279 WeakPolarHBondContact O-CG 3.42Å; I275-R279 PolarHBondContact O-N 3.29Å |
| 276 | M | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58 | -44 | -178.3 | -68.2 | -63.3 | -68.6 | 0 | 0 | 111.8 | L258 L272 S280 L284 L299 I303 L315 I318 C319 | L258-M276 HydrophobicContact CD2-CG 4.31Å; L258-M276 HydrophobicContact CD2-SD 4.33Å; L272-M276 HydrophobicContact CD1-CG 3.78Å; L272-M276 HydrophobicContact CG-CG 4.39Å; L272-M276 VanDerWaalsContact O-CB 3.28Å; L272-M276 WeakPolarHBondContact O-CB 3.46Å; L272-M276 WeakPolarHBondContact O-CG 3.37Å; L272-M276 PolarHBondContact O-N 2.74Å; M276-S280 VanDerWaalsContact O-CB 3.25Å; M276-S280 WeakPolarHBondContact O-CB 3.43Å; M276-S280 PolarHBondContact O-N 3.49Å; M276-L284 HydrophobicContact CE-CD2 4.04Å; M276-L284 HydrophobicContact SD-CD1 4.04Å; M276-L284 HydrophobicContact SD-CD2 4.23Å; M276-L299 HydrophobicContact SD-CD2 4.04Å; M276-I303 HydrophobicContact CE-CD1 3.65Å; M276-I303 HydrophobicContact SD-CD1 4.12Å; M276-L315 HydrophobicContact CB-CD2 4.05Å; M276-L315 WeakPolarHBondContact CE-O 3.24Å; M276-L315 HydrophobicContact CG-CD2 3.92Å; M276-I318 HydrophobicContact CB-CG2 4.3Å; M276-I318 HydrophobicContact CE-CB 4.26Å; M276-I318 HydrophobicContact CE-CG2 4.12Å; M276-I318 WeakPolarHBondContact O-CG2 3.25Å; M276-C319 HydrophobicContact CE-CB 3.83Å |
| 277 | V | 98.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 19.6 Ų | 19.6 | 7% | 0.067 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -73.2 | -54.1 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | L83 A86 L87 F94 N273 I275 R279 S280 | L83-V277 HydrophobicContact CD1-CG2 3.45Å; L83-V277 VanDerWaalsContact CD1-CG2 3.45Å; A86-V277 HydrophobicContact CB-CG1 4.32Å; A86-V277 HydrophobicContact CB-CG2 4.01Å; L87-V277 HydrophobicContact CD2-CG1 4.44Å; L87-V277 HydrophobicContact CD2-CG2 4.09Å; L87-V277 HydrophobicContact CG-CG2 4.43Å; F94-V277 HydrophobicContact CD1-CG1 4.47Å; F94-V277 HydrophobicContact CE1-CB 4.26Å; F94-V277 HydrophobicContact CE1-CG1 4.25Å; F94-V277 HydrophobicContact CZ-CB 4.34Å; F94-V277 HydrophobicContact CZ-CG1 4.46Å; N273-V277 VanDerWaalsContact O-CB 3.31Å; N273-V277 WeakPolarHBondContact O-CB 3.11Å; N273-V277 VanDerWaalsContact O-CG2 3.29Å; N273-V277 WeakPolarHBondContact O-CG2 3.48Å; N273-V277 PolarHBondContact O-N 3.29Å; I275-V277 VanDerWaalsContact C-N 3.31Å; I275-V277 PolarHBondContact O-N 2.83Å; V277-R279 PolarHBondContact O-N 3.01Å; V277-S280 PolarHBondContact O-N 3.34Å; V277-S280 PolarHBondContact O-OG 3.12Å |
| 278 | S | 98.9 | Very high | 98.6 | Very high | 20 Ų | 20 | 19.6 Ų | 19.6 | 14% | 0.14 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67 | -21.9 | -171.4 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | R120 R274 I275 I282 | R120-S278 PolarHBondContact NH2-OG 3.43Å; R274-S278 WeakPolarHBondContact O-CB 3.25Å; R274-S278 PolarHBondContact O-N 3.31Å; R274-S278 PolarHBondContact O-OG 2.86Å; I275-S278 PolarHBondContact O-N 3.4Å; S278-I282 WeakPolarHBondContact O-CD1 3.49Å |
| 279 | R | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -104.4 | -10.8 | -178.1 | -49 | -46.9 | -61.5 | -169.5 | -9 | 113.8 | L254 I275 V277 E281 I282 D283 L284 I287 | L254-R279 HydrophobicContact CD1-CG 4.01Å; I275-R279 HydrophobicContact CG2-CG 3.92Å; I275-R279 VanDerWaalsContact O-CB 3.28Å; I275-R279 WeakPolarHBondContact O-CB 3.39Å; I275-R279 WeakPolarHBondContact O-CG 3.42Å; I275-R279 PolarHBondContact O-N 3.29Å; V277-R279 PolarHBondContact O-N 3.01Å; R279-E281 PolarHBondContact O-N 3.08Å; R279-I282 PolarHBondContact O-N 3.3Å; R279-D283 IonicContact CZ-OD1 3.13Å; R279-D283 IonicContact CZ-OD2 3.67Å; R279-D283 IonicContact NE-OD1 2.72Å; R279-D283 PolarHBondContact NE-OD1 3.5Å; R279-D283 IonicContact NE-OD2 3.66Å; R279-D283 VanDerWaalsContact NH2-CG 3.31Å; R279-D283 IonicContact NH2-OD1 2.71Å; R279-D283 PolarHBondContact NH2-OD1 2.77Å; R279-D283 IonicContact NH2-OD2 3.33Å; R279-D283 PolarHBondContact NH2-OD2 3.13Å; R279-D283 PolarHBondContact O-N 3.19Å; R279-L284 HydrophobicContact CB-CB 4.45Å; R279-L284 WeakPolarHBondContact O-CB 3.42Å; R279-L284 PolarHBondContact O-N 3.36Å; R279-I287 HydrophobicContact CB-CD1 3.73Å; R279-I287 HydrophobicContact CG-CD1 3.82Å |
| 280 | S | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30 | -176.7 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | G10 T11 I12 M276 V277 | G10-S280 CarbonylContact C-O 3.56Å; G10-S280 WeakPolarHBondContact CA-O 3.14Å; T11-S280 PolarHBondContact N-O 2.96Å; T11-S280 PolarHBondContact OG1-O 3.02Å; I12-S280 PolarHBondContact N-O 3.24Å; M276-S280 VanDerWaalsContact O-CB 3.25Å; M276-S280 WeakPolarHBondContact O-CB 3.43Å; M276-S280 PolarHBondContact O-N 3.49Å; V277-S280 PolarHBondContact O-N 3.34Å; V277-S280 PolarHBondContact O-OG 3.12Å |
| 281 | E | 98.8 | Very high | 98.8 | Very high | 17 Ų | 17 | 16 Ų | 16 | 8% | 0.079 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 9 | -179.1 | -66.9 | 174.6 | -140.4 | 0 | 0 | 112.3 | V6 G7 I12 S49 N50 R53 R279 | V6-E281 CarbonylContact C-O 3.35Å; V6-E281 WeakPolarHBondContact CA-O 3.41Å; G7-E281 PolarHBondContact N-O 3Å; I12-E281 HydrophobicContact CB-CG 3.95Å; I12-E281 HydrophobicContact CG2-CG 4.21Å; S49-E281 WeakPolarHBondContact CA-OE1 3.08Å; N50-E281 WeakPolarHBondContact CB-OE1 3.46Å; N50-E281 PolarHBondContact N-OE1 3.06Å; N50-E281 PolarHBondContact N-OE2 3.03Å; R53-E281 IonicContact NH1-OE1 2.72Å; R53-E281 IonicContact NH2-OE1 2.87Å; R53-E281 PolarHBondContact NH2-OE1 3.23Å; R279-E281 PolarHBondContact O-N 3.08Å |
| 282 | I | 98.8 | Very high | 98.8 | Very high | 25 Ų | 25 | 19.9 Ų | 19.9 | 13% | 0.128 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -72.5 | -176.8 | -56.2 | 179.3 | 0 | 0 | 0 | 111.3 | W5 R9 G10 S278 R279 | W5-I282 WeakPolarHBondContact O-CG1 3.35Å; R9-I282 CarbonylContact C-O 3.56Å; R9-I282 WeakPolarHBondContact CA-O 3.48Å; R9-I282 PolarHBondContact N-O 3.11Å; G10-I282 PolarHBondContact N-O 3.46Å; S278-I282 WeakPolarHBondContact O-CD1 3.49Å; R279-I282 PolarHBondContact O-N 3.3Å |
| 283 | D | 98.7 | Very high | 98.8 | Very high | 15 Ų | 15 | 26.4 Ų | 26.4 | 8% | 0.08 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.8 | 16.9 | -166.5 | 58 | -3.8 | 0 | 0 | 0 | 113.8 | R9 R279 L285 D286 I287 | R9-D283 CarbonylContact O-C 3.5Å; R9-D283 VanDerWaalsContact O-C 3.31Å; R9-D283 WeakPolarHBondContact O-CA 3.23Å; R279-D283 IonicContact CZ-OD1 3.13Å; R279-D283 IonicContact CZ-OD2 3.67Å; R279-D283 IonicContact NE-OD1 2.72Å; R279-D283 PolarHBondContact NE-OD1 3.5Å; R279-D283 IonicContact NE-OD2 3.66Å; R279-D283 VanDerWaalsContact NH2-CG 3.31Å; R279-D283 IonicContact NH2-OD1 2.71Å; R279-D283 PolarHBondContact NH2-OD1 2.77Å; R279-D283 IonicContact NH2-OD2 3.33Å; R279-D283 PolarHBondContact NH2-OD2 3.13Å; R279-D283 PolarHBondContact O-N 3.19Å; D283-L285 PolarHBondContact O-N 2.86Å; D283-L285 VanDerWaalsContact O-N 3.13Å; D283-D286 PolarHBondContact O-N 3.32Å; D283-I287 WeakPolarHBondContact O-CG1 3.46Å; D283-I287 PolarHBondContact O-N 3.45Å |
| 284 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60 | -25.5 | -179.3 | -168.6 | 59 | 0 | 0 | 0 | 113.6 | R9 T11 M276 R279 I287 R288 L299 I318 | R9-L284 PolarHBondContact O-N 2.7Å; T11-L284 HydrophobicContact CG2-CB 3.96Å; T11-L284 HydrophobicContact CG2-CD2 4.19Å; T11-L284 HydrophobicContact CG2-CG 4.02Å; M276-L284 HydrophobicContact CE-CD2 4.04Å; M276-L284 HydrophobicContact SD-CD1 4.04Å; M276-L284 HydrophobicContact SD-CD2 4.23Å; R279-L284 HydrophobicContact CB-CB 4.45Å; R279-L284 WeakPolarHBondContact O-CB 3.42Å; R279-L284 PolarHBondContact O-N 3.36Å; L284-I287 HydrophobicContact CD1-CB 4.24Å; L284-I287 HydrophobicContact CD1-CD1 4.24Å; L284-I287 HydrophobicContact CD1-CG2 4.27Å; L284-R288 WeakPolarHBondContact O-CB 3.48Å; L284-R288 VanDerWaalsContact O-CG 3.28Å; L284-R288 WeakPolarHBondContact O-CG 3.43Å; L284-R288 PolarHBondContact O-N 3.37Å; L284-L299 HydrophobicContact CD1-CD2 4.29Å; L284-I318 HydrophobicContact CD2-CG2 3.93Å |
| 285 | L | 98.9 | Very high | 98.8 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 24% | 0.236 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | 170.6 | -69.9 | 171.5 | 0 | 0 | 0 | 112.5 | R9 G10 T11 D283 R288 I289 | R9-L285 VanDerWaalsContact O-CB 3.26Å; R9-L285 WeakPolarHBondContact O-CB 3.18Å; R9-L285 WeakPolarHBondContact O-CG 3.48Å; R9-L285 PolarHBondContact O-N 3.09Å; G10-L285 WeakPolarHBondContact O-CD1 3.4Å; T11-L285 HydrophobicContact CG2-CD2 3.74Å; T11-L285 HydrophobicContact CG2-CG 3.91Å; D283-L285 PolarHBondContact O-N 2.86Å; D283-L285 VanDerWaalsContact O-N 3.13Å; L285-R288 WeakPolarHBondContact O-CB 3.31Å; L285-I289 WeakPolarHBondContact O-CG1 3.28Å; L285-I289 PolarHBondContact O-N 3.46Å |
| 286 | D | 98.9 | Very high | 98.7 | Very high | 45 Ų | 45 | 36.9 Ų | 36.9 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -77.7 | -34.1 | -179.8 | -62.3 | -20.3 | 0 | 0 | 0 | 110.8 | R9 P251 D283 R288 I289 E290 | R9-D286 WeakPolarHBondContact CB-OD2 3.35Å; R9-D286 VanDerWaalsContact CG-OD2 3.3Å; R9-D286 WeakPolarHBondContact CG-OD2 3.44Å; R9-D286 IonicContact CZ-OD1 2.65Å; R9-D286 VanDerWaalsContact CZ-OD1 3.28Å; R9-D286 IonicContact NE-OD1 3.99Å; R9-D286 PolarHBondContact NE-OD1 3.37Å; R9-D286 IonicContact NE-OD2 3.9Å; R9-D286 IonicContact NH2-OD1 3.32Å; R9-D286 PolarHBondContact NH2-OD1 2.89Å; P251-D286 HydrophobicContact CB-CB 3.89Å; P251-D286 HydrophobicContact CG-CB 3.84Å; D283-D286 PolarHBondContact O-N 3.32Å; D286-R288 VanDerWaalsContact C-N 3.32Å; D286-R288 PolarHBondContact O-N 2.64Å; D286-I289 PolarHBondContact O-N 3.18Å; D286-E290 PolarHBondContact O-N 2.86Å |
| 287 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 172.1 | -66.7 | 170.9 | 0 | 0 | 0 | 110.4 | P251 L254 A255 L258 R279 D283 L284 I289 E290 F291 | P251-I287 HydrophobicContact CB-CG1 4.02Å; L254-I287 HydrophobicContact CB-CD1 3.78Å; L254-I287 HydrophobicContact CB-CG1 4.06Å; L254-I287 HydrophobicContact CD1-CD1 3.79Å; L254-I287 HydrophobicContact CG-CD1 4.44Å; A255-I287 HydrophobicContact CB-CG2 4.13Å; L258-I287 HydrophobicContact CD1-CG2 3.55Å; R279-I287 HydrophobicContact CB-CD1 3.73Å; R279-I287 HydrophobicContact CG-CD1 3.82Å; D283-I287 WeakPolarHBondContact O-CG1 3.46Å; D283-I287 PolarHBondContact O-N 3.45Å; L284-I287 HydrophobicContact CD1-CB 4.24Å; L284-I287 HydrophobicContact CD1-CD1 4.24Å; L284-I287 HydrophobicContact CD1-CG2 4.27Å; I287-I289 PolarHBondContact O-N 3.5Å; I287-E290 PolarHBondContact O-N 2.97Å; I287-F291 VanDerWaalsContact O-CB 3.28Å; I287-F291 WeakPolarHBondContact O-CB 3.29Å; I287-F291 PolarHBondContact O-N 2.9Å |
| 288 | R | 98.8 | Very high | 98.7 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.1 | -47.1 | 174.9 | -85.1 | 170.7 | 56.5 | -172.8 | -7.9 | 112.7 | L284 L285 D286 F291 K292 L299 C319 G321 D322 D323 | L284-R288 WeakPolarHBondContact O-CB 3.48Å; L284-R288 VanDerWaalsContact O-CG 3.28Å; L284-R288 WeakPolarHBondContact O-CG 3.43Å; L284-R288 PolarHBondContact O-N 3.37Å; L285-R288 WeakPolarHBondContact O-CB 3.31Å; D286-R288 VanDerWaalsContact C-N 3.32Å; D286-R288 PolarHBondContact O-N 2.64Å; R288-F291 PolarHBondContact O-N 3.15Å; R288-K292 PolarHBondContact O-N 3.01Å; R288-L299 HydrophobicContact CG-CB 4.3Å; R288-L299 HydrophobicContact CG-CD2 3.98Å; R288-C319 WeakPolarHBondContact CD-O 3.33Å; R288-C319 PolarHBondContact NH1-O 2.57Å; R288-G321 PolarHBondContact NH2-O 3.47Å; R288-D322 PolarHBondContact NH2-O 2.86Å; R288-D323 WeakPolarHBondContact CB-OD2 3.21Å; R288-D323 IonicContact CZ-OD1 3.75Å; R288-D323 IonicContact CZ-OD2 3.53Å; R288-D323 IonicContact NE-OD1 3.96Å; R288-D323 PolarHBondContact NE-OD1 3.05Å; R288-D323 IonicContact NE-OD2 2.78Å; R288-D323 PolarHBondContact NE-OD2 2.88Å; R288-D323 VanDerWaalsContact NH2-CG 3.31Å; R288-D323 IonicContact NH2-OD1 2.85Å; R288-D323 PolarHBondContact NH2-OD1 3.44Å; R288-D323 IonicContact NH2-OD2 3.41Å; R288-D323 PolarHBondContact NH2-OD2 3.32Å |
| 289 | I | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 43% | 0.431 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.8 | -49.3 | 178.2 | -68.5 | 165.3 | 0 | 0 | 0 | 110.7 | L285 D286 I287 K292 K293 | L285-I289 WeakPolarHBondContact O-CG1 3.28Å; L285-I289 PolarHBondContact O-N 3.46Å; D286-I289 PolarHBondContact O-N 3.18Å; I287-I289 PolarHBondContact O-N 3.5Å; I289-K292 PolarHBondContact O-N 3.45Å; I289-K293 VanDerWaalsContact O-CB 3.3Å; I289-K293 WeakPolarHBondContact O-CB 3.32Å; I289-K293 PolarHBondContact O-N 3.43Å |
| 290 | E | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | 179.5 | -68.9 | -64.7 | 171.2 | 0 | 0 | 111.7 | N249 P251 A252 A255 D286 I287 K292 K293 H294 | N249-E290 VanDerWaalsContact ND2-CD 3.32Å; N249-E290 PolarHBondContact ND2-OE1 3.48Å; P251-E290 HydrophobicContact CB-CG 4.22Å; A252-E290 HydrophobicContact CB-CB 4.02Å; A252-E290 HydrophobicContact CB-CG 3.96Å; A255-E290 HydrophobicContact CB-CB 4.2Å; D286-E290 PolarHBondContact O-N 2.86Å; I287-E290 PolarHBondContact O-N 2.97Å; E290-K292 PolarHBondContact O-N 3.31Å; E290-K293 PolarHBondContact O-N 3.32Å; E290-K293 IonicContact OE1-NZ 3.33Å; E290-K293 PolarHBondContact OE1-NZ 3.1Å; E290-K293 WeakPolarHBondContact OE2-CD 3.38Å; E290-K293 IonicContact OE2-NZ 2.78Å; E290-K293 PolarHBondContact OE2-NZ 2.95Å; E290-H294 WeakPolarHBondContact O-CB 3.39Å; E290-H294 PolarHBondContact O-CD2 3.37Å; E290-H294 PolarHBondContact O-N 3.4Å; E290-H294 IonicContact OE2-CD2 3.72Å; E290-H294 IonicContact OE2-NE2 2.95Å |
| 291 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.7 | -53.2 | 174.7 | -169.4 | -75.2 | 0 | 0 | 0 | 111.1 | A255 L258 H259 I287 R288 K293 H294 Y295 Y297 L299 A302 | A255-F291 HydrophobicContact CB-CB 3.88Å; A255-F291 HydrophobicContact CB-CD2 4.3Å; A255-F291 WeakPolarHBondContact O-CD2 3.31Å; L258-F291 HydrophobicContact CB-CD2 4.28Å; L258-F291 HydrophobicContact CB-CE2 4.16Å; H259-F291 HydrophobicContact CB-CD2 4.38Å; H259-F291 HydrophobicContact CB-CE2 3.66Å; H259-F291 HydrophobicContact CB-CZ 4.15Å; I287-F291 VanDerWaalsContact O-CB 3.28Å; I287-F291 WeakPolarHBondContact O-CB 3.29Å; I287-F291 PolarHBondContact O-N 2.9Å; R288-F291 PolarHBondContact O-N 3.15Å; F291-K293 VanDerWaalsContact C-N 3.32Å; F291-K293 PolarHBondContact O-N 3.31Å; F291-H294 PolarHBondContact O-N 3.35Å; F291-Y295 AromaticContact CD1-CD2 3.89Å; F291-Y295 HydrophobicContact CD1-CD2 3.89Å; F291-Y295 AromaticContact CD2-CD2 3.96Å; F291-Y295 HydrophobicContact CD2-CD2 3.96Å; F291-Y295 HydrophobicContact CD2-CE2 4.11Å; F291-Y295 AromaticContact CE1-CD2 3.97Å; F291-Y295 HydrophobicContact CE1-CD2 3.97Å; F291-Y295 HydrophobicContact CE2-CD2 4.07Å; F291-Y295 HydrophobicContact CE2-CE2 4.29Å; F291-Y295 AromaticContact CG-CD2 3.88Å; F291-Y295 HydrophobicContact CG-CD2 3.88Å; F291-Y295 HydrophobicContact CG-CE2 4.37Å; F291-Y295 HydrophobicContact CZ-CD2 4.06Å; F291-Y295 WeakPolarHBondContact O-CD2 3.46Å; F291-Y295 PolarHBondContact O-N 3.33Å; F291-Y297 WeakPolarHBondContact CD1-O 3.28Å; F291-Y297 HydrophobicContact CE1-CD2 4.01Å; F291-Y297 AromaticContact CE1-CE2 3.75Å; F291-Y297 HydrophobicContact CE1-CE2 3.75Å; F291-Y297 HydrophobicContact CZ-CE2 4.08Å; F291-L299 HydrophobicContact CB-CB 4.37Å; F291-L299 HydrophobicContact CD1-CB 4.1Å; F291-L299 HydrophobicContact CD2-CB 4.4Å; F291-L299 HydrophobicContact CD2-CD1 3.98Å; F291-L299 HydrophobicContact CE2-CD1 3.86Å; F291-L299 HydrophobicContact CG-CB 4.04Å; F291-L299 HydrophobicContact CG-CD1 4.46Å; F291-L299 HydrophobicContact CZ-CD1 4.28Å; F291-A302 HydrophobicContact CE1-CB 4.07Å; F291-A302 HydrophobicContact CZ-CB 3.84Å |
| 292 | K | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 44 Ų | 44 | 35% | 0.352 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 179.1 | -179.7 | 170.5 | 174.7 | 171.6 | 0 | 111.9 | R288 I289 E290 H294 G296 Y297 D323 | R288-K292 PolarHBondContact O-N 3.01Å; I289-K292 PolarHBondContact O-N 3.45Å; E290-K292 PolarHBondContact O-N 3.31Å; K292-H294 VanDerWaalsContact C-N 3.34Å; K292-H294 PolarHBondContact O-N 2.96Å; K292-G296 WeakPolarHBondContact O-CA 3.47Å; K292-G296 PolarHBondContact O-N 3.34Å; K292-Y297 WeakPolarHBondContact CA-O 3.29Å; K292-D323 HydrophobicContact CD-CB 3.74Å; K292-D323 WeakPolarHBondContact CD-O 3.38Å; K292-D323 PolarHBondContact NZ-O 3.41Å; K292-D323 PolarHBondContact NZ-OXT 3.47Å |
| 293 | K | 98.6 | Very high | 98.6 | Very high | 137 Ų | 137 | 42.8 Ų | 42.8 | 60% | 0.596 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -61.7 | -39.4 | 178 | 175.2 | 178.9 | 153.4 | -144.7 | 0 | 112.6 | I289 E290 F291 | I289-K293 VanDerWaalsContact O-CB 3.3Å; I289-K293 WeakPolarHBondContact O-CB 3.32Å; I289-K293 PolarHBondContact O-N 3.43Å; E290-K293 PolarHBondContact O-N 3.32Å; E290-K293 IonicContact OE1-NZ 3.33Å; E290-K293 PolarHBondContact OE1-NZ 3.1Å; E290-K293 WeakPolarHBondContact OE2-CD 3.38Å; E290-K293 IonicContact OE2-NZ 2.78Å; E290-K293 PolarHBondContact OE2-NZ 2.95Å; F291-K293 VanDerWaalsContact C-N 3.32Å; F291-K293 PolarHBondContact O-N 3.31Å |
| 294 | H | 98.3 | Very high | 98.6 | Very high | 107 Ų | 107 | 48 Ų | 48 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -82.6 | -32.3 | -177.3 | -79.8 | -71.2 | 0 | 0 | 0 | 113.9 | E290 F291 K292 | E290-H294 WeakPolarHBondContact O-CB 3.39Å; E290-H294 PolarHBondContact O-CD2 3.37Å; E290-H294 PolarHBondContact O-N 3.4Å; E290-H294 IonicContact OE2-CD2 3.72Å; E290-H294 IonicContact OE2-NE2 2.95Å; F291-H294 PolarHBondContact O-N 3.35Å; K292-H294 VanDerWaalsContact C-N 3.34Å; K292-H294 PolarHBondContact O-N 2.96Å |
| 295 | Y | 98.1 | Very high | 98.5 | Very high | 58 Ų | 58 | 52 Ų | 52 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -113.8 | -11.9 | -170.7 | -55.7 | -59.9 | 0 | 0 | 0 | 114.6 | E256 H259 F291 Y297 | E256-Y295 VanDerWaalsContact CA-OH 3.24Å; E256-Y295 WeakPolarHBondContact CA-OH 3.39Å; H259-Y295 HydrophobicContact CB-CD2 3.86Å; H259-Y295 HydrophobicContact CB-CE1 4.08Å; H259-Y295 HydrophobicContact CB-CE2 3.29Å; H259-Y295 HydrophobicContact CB-CG 4.47Å; H259-Y295 VanDerWaalsContact CB-CZ 3.42Å; H259-Y295 AromaticContact CD2-CD1 3.42Å; H259-Y295 VanDerWaalsContact CD2-CD1 3.42Å; H259-Y295 WeakPolarHBondContact CD2-CD1 3.46Å; H259-Y295 AromaticContact CD2-CD2 3.81Å; H259-Y295 AromaticContact CD2-CE1 3.58Å; H259-Y295 AromaticContact CD2-CE2 3.96Å; H259-Y295 AromaticContact CD2-CG 3.55Å; H259-Y295 AromaticContact CD2-CZ 3.85Å; H259-Y295 AromaticContact CE1-CD1 3.91Å; H259-Y295 AromaticContact CE1-CE1 3.6Å; H259-Y295 AromaticContact CG-CD1 3.82Å; H259-Y295 AromaticContact CG-CD2 3.95Å; H259-Y295 AromaticContact CG-CE1 3.47Å; H259-Y295 VanDerWaalsContact CG-CE1 3.47Å; H259-Y295 AromaticContact CG-CE2 3.61Å; H259-Y295 AromaticContact CG-CZ 3.36Å; H259-Y295 AromaticContact ND1-CE1 3.5Å; H259-Y295 AromaticContact ND1-CZ 3.64Å; H259-Y295 AromaticContact NE2-CD1 3.5Å; H259-Y295 AromaticContact NE2-CE1 3.68Å; F291-Y295 AromaticContact CD1-CD2 3.89Å; F291-Y295 HydrophobicContact CD1-CD2 3.89Å; F291-Y295 AromaticContact CD2-CD2 3.96Å; F291-Y295 HydrophobicContact CD2-CD2 3.96Å; F291-Y295 HydrophobicContact CD2-CE2 4.11Å; F291-Y295 AromaticContact CE1-CD2 3.97Å; F291-Y295 HydrophobicContact CE1-CD2 3.97Å; F291-Y295 HydrophobicContact CE2-CD2 4.07Å; F291-Y295 HydrophobicContact CE2-CE2 4.29Å; F291-Y295 AromaticContact CG-CD2 3.88Å; F291-Y295 HydrophobicContact CG-CD2 3.88Å; F291-Y295 HydrophobicContact CG-CE2 4.37Å; F291-Y295 HydrophobicContact CZ-CD2 4.06Å; F291-Y295 WeakPolarHBondContact O-CD2 3.46Å; F291-Y295 PolarHBondContact O-N 3.33Å; Y295-Y297 VanDerWaalsContact C-N 3.25Å; Y295-Y297 WeakPolarHBondContact O-CD1 3.41Å; Y295-Y297 WeakPolarHBondContact O-CE1 3.4Å; Y295-Y297 PolarHBondContact O-N 2.9Å |
| 296 | G | 97.9 | Very high | 98.3 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 80.1 | -1.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K292 | K292-G296 WeakPolarHBondContact O-CA 3.47Å; K292-G296 PolarHBondContact O-N 3.34Å |
| 297 | Y | 98.1 | Very high | 98.3 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 38% | 0.384 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -135 | 156.3 | 173.1 | 58.7 | -85.3 | 0 | 0 | 0 | 109.9 | H259 F291 K292 Y295 A302 | H259-Y297 PolarHBondContact CD2-OH 3.22Å; F291-Y297 WeakPolarHBondContact CD1-O 3.28Å; F291-Y297 HydrophobicContact CE1-CD2 4.01Å; F291-Y297 AromaticContact CE1-CE2 3.75Å; F291-Y297 HydrophobicContact CE1-CE2 3.75Å; F291-Y297 HydrophobicContact CZ-CE2 4.08Å; K292-Y297 WeakPolarHBondContact CA-O 3.29Å; Y295-Y297 VanDerWaalsContact C-N 3.25Å; Y295-Y297 WeakPolarHBondContact O-CD1 3.41Å; Y295-Y297 WeakPolarHBondContact O-CE1 3.4Å; Y295-Y297 PolarHBondContact O-N 2.9Å; Y297-A302 HydrophobicContact CD2-CB 4.06Å; Y297-A302 HydrophobicContact CE2-CB 3.67Å |
| 298 | S | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | trans | -76.5 | 154.6 | -173.8 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | Y300 S301 A302 D322 | S298-Y300 PolarHBondContact O-N 2.92Å; S298-S301 PolarHBondContact N-OG 2.94Å; S298-S301 PolarHBondContact O-N 3.22Å; S298-S301 PolarHBondContact O-OG 3.42Å; S298-S301 WeakPolarHBondContact OG-CB 3.24Å; S298-S301 PolarHBondContact OG-N 2.86Å; S298-S301 PolarHBondContact OG-OG 3.32Å; S298-A302 PolarHBondContact O-N 3.48Å; S298-A302 VanDerWaalsContact O-N 3.09Å; S298-D322 WeakPolarHBondContact CB-OD1 3.24Å; S298-D322 PolarHBondContact OG-OD1 3.14Å | ||
| 299 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.4 | -36.6 | 170.4 | 177.3 | 61 | 0 | 0 | 0 | 111.4 | L258 L262 M276 L284 R288 F291 A302 I303 | L258-L299 HydrophobicContact CB-CD1 4.29Å; L258-L299 HydrophobicContact CD1-CD1 4.01Å; L258-L299 HydrophobicContact CD1-CD2 3.8Å; L262-L299 HydrophobicContact CD1-CD1 3.97Å; M276-L299 HydrophobicContact SD-CD2 4.04Å; L284-L299 HydrophobicContact CD1-CD2 4.29Å; R288-L299 HydrophobicContact CG-CB 4.3Å; R288-L299 HydrophobicContact CG-CD2 3.98Å; F291-L299 HydrophobicContact CB-CB 4.37Å; F291-L299 HydrophobicContact CD1-CB 4.1Å; F291-L299 HydrophobicContact CD2-CB 4.4Å; F291-L299 HydrophobicContact CD2-CD1 3.98Å; F291-L299 HydrophobicContact CE2-CD1 3.86Å; F291-L299 HydrophobicContact CG-CB 4.04Å; F291-L299 HydrophobicContact CG-CD1 4.46Å; F291-L299 HydrophobicContact CZ-CD1 4.28Å; L299-A302 WeakPolarHBondContact O-CB 3.36Å; L299-A302 PolarHBondContact O-N 3.49Å; L299-I303 HydrophobicContact CD1-CD1 4.11Å; L299-I303 HydrophobicContact CD1-CG1 4.24Å; L299-I303 HydrophobicContact CG-CD1 3.92Å; L299-I303 HydrophobicContact CG-CG1 4.5Å; L299-I303 WeakPolarHBondContact O-CG1 3.22Å; L299-I303 PolarHBondContact O-N 3.24Å |
| 300 | Y | 98.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 176.4 | -170.6 | -82.9 | 0 | 0 | 0 | 111.6 | S298 A302 I303 K304 L316 C319 G321 D322 | S298-Y300 PolarHBondContact O-N 2.92Å; Y300-A302 VanDerWaalsContact C-N 3.32Å; Y300-A302 PolarHBondContact O-N 3.45Å; Y300-I303 PolarHBondContact O-N 2.99Å; Y300-K304 WeakPolarHBondContact O-CB 3.45Å; Y300-K304 PolarHBondContact O-N 3.43Å; Y300-L316 HydrophobicContact CD1-CD2 4.04Å; Y300-L316 HydrophobicContact CD2-CB 4.42Å; Y300-L316 HydrophobicContact CD2-CD2 3.69Å; Y300-L316 HydrophobicContact CE1-CD1 4.29Å; Y300-L316 HydrophobicContact CE1-CD2 3.99Å; Y300-L316 HydrophobicContact CE2-CB 3.74Å; Y300-L316 HydrophobicContact CE2-CD1 4.39Å; Y300-L316 HydrophobicContact CE2-CD2 3.66Å; Y300-L316 HydrophobicContact CE2-CG 4.11Å; Y300-L316 HydrophobicContact CG-CD2 3.88Å; Y300-L316 WeakPolarHBondContact O-CD2 3.5Å; Y300-C319 HydrophobicContact CD2-CB 4.31Å; Y300-G321 VanDerWaalsContact CD2-C 3.49Å; Y300-G321 WeakPolarHBondContact CD2-O 3.35Å; Y300-D322 HydrophobicContact CD1-CB 4.3Å; Y300-D322 HydrophobicContact CG-CB 4.3Å |
| 301 | S | 98.3 | Very high | 98.2 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 177.9 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | S298 K304 S305 | S298-S301 PolarHBondContact N-OG 2.94Å; S298-S301 PolarHBondContact O-N 3.22Å; S298-S301 PolarHBondContact O-OG 3.42Å; S298-S301 WeakPolarHBondContact OG-CB 3.24Å; S298-S301 PolarHBondContact OG-N 2.86Å; S298-S301 PolarHBondContact OG-OG 3.32Å; S301-K304 PolarHBondContact O-N 3.16Å; S301-S305 PolarHBondContact O-N 2.94Å; S301-S305 PolarHBondContact O-OG 2.94Å |
| 302 | A | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L262 F291 Y297 S298 L299 Y300 K304 S305 D306 | L262-A302 HydrophobicContact CD1-CB 3.86Å; F291-A302 HydrophobicContact CE1-CB 4.07Å; F291-A302 HydrophobicContact CZ-CB 3.84Å; Y297-A302 HydrophobicContact CD2-CB 4.06Å; Y297-A302 HydrophobicContact CE2-CB 3.67Å; S298-A302 PolarHBondContact O-N 3.48Å; S298-A302 VanDerWaalsContact O-N 3.09Å; L299-A302 WeakPolarHBondContact O-CB 3.36Å; L299-A302 PolarHBondContact O-N 3.49Å; Y300-A302 VanDerWaalsContact C-N 3.32Å; Y300-A302 PolarHBondContact O-N 3.45Å; A302-K304 VanDerWaalsContact C-N 3.3Å; A302-K304 PolarHBondContact O-N 3.16Å; A302-S305 PolarHBondContact O-N 3.48Å; A302-S305 PolarHBondContact O-OG 3.23Å; A302-D306 PolarHBondContact O-N 3.17Å |
| 303 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.8 | -70.5 | 165.3 | 0 | 0 | 0 | 109.9 | L262 M276 L299 Y300 S305 D306 T307 L315 L316 C319 | L262-I303 HydrophobicContact CD1-CG1 4.33Å; M276-I303 HydrophobicContact CE-CD1 3.65Å; M276-I303 HydrophobicContact SD-CD1 4.12Å; L299-I303 HydrophobicContact CD1-CD1 4.11Å; L299-I303 HydrophobicContact CD1-CG1 4.24Å; L299-I303 HydrophobicContact CG-CD1 3.92Å; L299-I303 HydrophobicContact CG-CG1 4.5Å; L299-I303 WeakPolarHBondContact O-CG1 3.22Å; L299-I303 PolarHBondContact O-N 3.24Å; Y300-I303 PolarHBondContact O-N 2.99Å; I303-S305 VanDerWaalsContact C-N 3.27Å; I303-S305 PolarHBondContact O-N 3.02Å; I303-D306 PolarHBondContact O-N 3.46Å; I303-T307 WeakPolarHBondContact CG2-OG1 3.33Å; I303-T307 WeakPolarHBondContact O-CB 3.4Å; I303-T307 PolarHBondContact O-N 2.79Å; I303-T307 PolarHBondContact O-OG1 2.95Å; I303-L315 HydrophobicContact CD1-CB 4.48Å; I303-L315 HydrophobicContact CG2-CB 3.63Å; I303-L315 HydrophobicContact CG2-CD1 4.03Å; I303-L316 HydrophobicContact CB-CD2 3.85Å; I303-L316 HydrophobicContact CG2-CD2 3.57Å; I303-L316 HydrophobicContact CG2-CG 4.01Å; I303-C319 HydrophobicContact CD1-CB 4.26Å |
| 304 | K | 97.9 | Very high | 98.2 | Very high | 123 Ų | 123 | 50.1 Ų | 50.1 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -28 | -180 | -175.5 | 170.4 | -174.6 | -178 | 0 | 113.3 | Y300 S301 A302 L316 | Y300-K304 WeakPolarHBondContact O-CB 3.45Å; Y300-K304 PolarHBondContact O-N 3.43Å; S301-K304 PolarHBondContact O-N 3.16Å; A302-K304 VanDerWaalsContact C-N 3.3Å; A302-K304 PolarHBondContact O-N 3.16Å; K304-L316 HydrophobicContact CB-CD1 4.48Å; K304-L316 HydrophobicContact CB-CD2 4.4Å |
| 305 | S | 96.7 | Very high | 98.3 | Very high | 85 Ų | 85 | 45 Ų | 45 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -79.6 | -33 | 177.9 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | S301 A302 I303 | S301-S305 PolarHBondContact O-N 2.94Å; S301-S305 PolarHBondContact O-OG 2.94Å; A302-S305 PolarHBondContact O-N 3.48Å; A302-S305 PolarHBondContact O-OG 3.23Å; I303-S305 VanDerWaalsContact C-N 3.27Å; I303-S305 PolarHBondContact O-N 3.02Å |
| 306 | D | 96.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 43 Ų | 43 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -107.7 | -10.5 | -169.6 | -81.8 | -62.5 | 0 | 0 | 0 | 114.9 | L262 A302 I303 | L262-D306 HydrophobicContact CD2-CB 4.02Å; A302-D306 PolarHBondContact O-N 3.17Å; I303-D306 PolarHBondContact O-N 3.46Å |
| 307 | T | 97.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 9% | 0.086 | 24% | 0.236 | C | C | . | . | trans | -120.2 | 162.7 | 178.4 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | L272 I303 Y311 E312 L315 | L272-T307 HydrophobicContact CD2-CG2 4Å; I303-T307 WeakPolarHBondContact CG2-OG1 3.33Å; I303-T307 WeakPolarHBondContact O-CB 3.4Å; I303-T307 PolarHBondContact O-N 2.79Å; I303-T307 PolarHBondContact O-OG1 2.95Å; T307-Y311 HydrophobicContact CG2-CD1 4.09Å; T307-Y311 HydrophobicContact CG2-CE1 3.79Å; T307-E312 WeakPolarHBondContact OG1-CA 3.39Å; T307-E312 VanDerWaalsContact OG1-CB 3.31Å; T307-E312 WeakPolarHBondContact OG1-CB 3.47Å; T307-E312 WeakPolarHBondContact OG1-CG 3.48Å; T307-L315 HydrophobicContact CG2-CD1 3.86Å | ||
| 308 | S | 98.1 | Very high | 98.4 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 63% | 0.629 | 22% | 0.218 | S | C | * | . | trans | -145.3 | 166.5 | 177.4 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | E312 | S308-E312 WeakPolarHBondContact CA-OE2 3.47Å; S308-E312 PolarHBondContact O-N 3.1Å | ||
| 309 | G | 98.3 | Very high | 98.4 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 46% | 0.464 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | 66.9 | -153.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y311 E312 I313 | G309-Y311 PolarHBondContact O-N 3.42Å; G309-E312 WeakPolarHBondContact O-CB 3.45Å; G309-E312 PolarHBondContact O-N 3.39Å; G309-E312 VanDerWaalsContact O-N 3.14Å; G309-I313 WeakPolarHBondContact O-CG1 3.13Å; G309-I313 PolarHBondContact O-N 2.92Å; G309-I313 VanDerWaalsContact O-N 3.11Å |
| 310 | D | 98.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63 | -26.8 | -178.1 | -67.1 | -44.5 | 0 | 0 | 0 | 113 | I42 F80 T314 | I42-D310 HydrophobicContact CD1-CB 3.98Å; F80-D310 HydrophobicContact CD1-CB 4.06Å; F80-D310 HydrophobicContact CD2-CB 3.93Å; F80-D310 HydrophobicContact CE1-CB 4.16Å; F80-D310 HydrophobicContact CE2-CB 4.06Å; F80-D310 HydrophobicContact CG-CB 3.95Å; F80-D310 HydrophobicContact CZ-CB 4.16Å; D310-T314 WeakPolarHBondContact O-CB 3.49Å; D310-T314 PolarHBondContact O-N 3.48Å; D310-T314 PolarHBondContact O-OG1 2.88Å |
| 311 | Y | 98.8 | Very high | 98.1 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -49.2 | 172.9 | -178 | -122 | 0 | 0 | 0 | 112 | H79 L83 E269 N273 T307 G309 T314 L315 | H79-Y311 HydrophobicContact CB-CD1 3.96Å; H79-Y311 HydrophobicContact CB-CD2 3.67Å; H79-Y311 HydrophobicContact CB-CE1 4.03Å; H79-Y311 HydrophobicContact CB-CE2 3.76Å; H79-Y311 HydrophobicContact CB-CG 3.78Å; L83-Y311 HydrophobicContact CB-CD2 4.27Å; L83-Y311 HydrophobicContact CB-CE2 4.1Å; L83-Y311 HydrophobicContact CD2-CD2 3.84Å; L83-Y311 HydrophobicContact CD2-CE2 3.74Å; L83-Y311 HydrophobicContact CG-CE2 4.49Å; E269-Y311 HydrophobicContact CB-CE1 4.42Å; E269-Y311 WeakPolarHBondContact CB-OH 3.36Å; E269-Y311 HydrophobicContact CG-CE1 3.9Å; N273-Y311 WeakPolarHBondContact OD1-CE2 3.13Å; N273-Y311 VanDerWaalsContact OD1-CZ 3.27Å; N273-Y311 PolarHBondContact OD1-OH 3.28Å; T307-Y311 HydrophobicContact CG2-CD1 4.09Å; T307-Y311 HydrophobicContact CG2-CE1 3.79Å; G309-Y311 PolarHBondContact O-N 3.42Å; Y311-T314 PolarHBondContact O-N 2.85Å; Y311-L315 HydrophobicContact CD1-CD1 4.06Å; Y311-L315 HydrophobicContact CD2-CD1 4.37Å; Y311-L315 HydrophobicContact CD2-CG 4.49Å; Y311-L315 HydrophobicContact CE1-CD1 3.59Å; Y311-L315 HydrophobicContact CE2-CD1 3.92Å; Y311-L315 HydrophobicContact CE2-CD2 4.44Å; Y311-L315 HydrophobicContact CE2-CG 4.13Å; Y311-L315 HydrophobicContact CG-CD1 4.42Å; Y311-L315 VanDerWaalsContact CZ-CD1 3.5Å; Y311-L315 WeakPolarHBondContact O-CG 3.28Å; Y311-L315 PolarHBondContact O-N 3.1Å |
| 312 | E | 98.8 | Very high | 97.8 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -51.7 | 174.4 | -178.7 | -163.4 | 151 | 0 | 0 | 110.8 | T307 S308 G309 T314 L315 L316 | T307-E312 WeakPolarHBondContact OG1-CA 3.39Å; T307-E312 VanDerWaalsContact OG1-CB 3.31Å; T307-E312 WeakPolarHBondContact OG1-CB 3.47Å; T307-E312 WeakPolarHBondContact OG1-CG 3.48Å; S308-E312 WeakPolarHBondContact CA-OE2 3.47Å; S308-E312 PolarHBondContact O-N 3.1Å; G309-E312 WeakPolarHBondContact O-CB 3.45Å; G309-E312 PolarHBondContact O-N 3.39Å; G309-E312 VanDerWaalsContact O-N 3.14Å; E312-T314 PolarHBondContact O-N 3.31Å; E312-L315 PolarHBondContact O-N 3.25Å; E312-L315 VanDerWaalsContact O-N 3.11Å; E312-L316 HydrophobicContact CG-CD1 3.78Å; E312-L316 HydrophobicContact CG-CG 4.14Å; E312-L316 WeakPolarHBondContact O-CB 3.45Å; E312-L316 VanDerWaalsContact O-CG 3.31Å; E312-L316 WeakPolarHBondContact O-CG 3.38Å; E312-L316 PolarHBondContact O-N 2.82Å |
| 313 | I | 98.8 | Very high | 97.4 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.7 | -42.4 | -177.3 | -63.1 | 168.7 | 0 | 0 | 0 | 110.4 | I42 G309 L316 K317 | I42-I313 HydrophobicContact CD1-CB 4.44Å; I42-I313 HydrophobicContact CD1-CG2 4.3Å; I42-I313 HydrophobicContact CG2-CG2 4.18Å; G309-I313 WeakPolarHBondContact O-CG1 3.13Å; G309-I313 PolarHBondContact O-N 2.92Å; G309-I313 VanDerWaalsContact O-N 3.11Å; I313-L316 PolarHBondContact O-N 3.46Å; I313-K317 WeakPolarHBondContact O-CG 3.18Å; I313-K317 PolarHBondContact O-N 3.23Å |
| 314 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 178.2 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | I42 T46 F80 L83 M84 L87 D310 Y311 E312 L316 K317 I318 | I42-T314 WeakPolarHBondContact CD1-OG1 3.49Å; I42-T314 WeakPolarHBondContact CG1-OG1 3.26Å; T46-T314 HydrophobicContact CG2-CG2 3.65Å; F80-T314 VanDerWaalsContact CE2-OG1 3.28Å; F80-T314 WeakPolarHBondContact CE2-OG1 3.48Å; L83-T314 HydrophobicContact CD2-CG2 3.44Å; L83-T314 VanDerWaalsContact CD2-CG2 3.44Å; L83-T314 HydrophobicContact CG-CG2 3.86Å; M84-T314 HydrophobicContact SD-CG2 3.9Å; L87-T314 HydrophobicContact CD1-CG2 4.14Å; D310-T314 WeakPolarHBondContact O-CB 3.49Å; D310-T314 PolarHBondContact O-N 3.48Å; D310-T314 PolarHBondContact O-OG1 2.88Å; Y311-T314 PolarHBondContact O-N 2.85Å; E312-T314 PolarHBondContact O-N 3.31Å; T314-L316 VanDerWaalsContact C-N 3.35Å; T314-L316 PolarHBondContact O-N 3.48Å; T314-K317 PolarHBondContact O-N 2.97Å; T314-I318 HydrophobicContact CG2-CD1 4.2Å; T314-I318 VanDerWaalsContact O-CG1 3.31Å; T314-I318 WeakPolarHBondContact O-CG1 3.39Å; T314-I318 PolarHBondContact O-N 3.37Å |
| 315 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.8 | -72.9 | 171.7 | 0 | 0 | 0 | 112.2 | L83 L272 M276 I303 T307 Y311 E312 K317 I318 C319 | L83-L315 HydrophobicContact CD1-CD2 4.42Å; L83-L315 HydrophobicContact CD2-CD2 3.73Å; L83-L315 HydrophobicContact CD2-CG 3.77Å; L272-L315 HydrophobicContact CD2-CD1 3.63Å; L272-L315 HydrophobicContact CG-CD1 4.15Å; L272-L315 HydrophobicContact CG-CD2 4.2Å; M276-L315 HydrophobicContact CB-CD2 4.05Å; M276-L315 WeakPolarHBondContact CE-O 3.24Å; M276-L315 HydrophobicContact CG-CD2 3.92Å; I303-L315 HydrophobicContact CD1-CB 4.48Å; I303-L315 HydrophobicContact CG2-CB 3.63Å; I303-L315 HydrophobicContact CG2-CD1 4.03Å; T307-L315 HydrophobicContact CG2-CD1 3.86Å; Y311-L315 HydrophobicContact CD1-CD1 4.06Å; Y311-L315 HydrophobicContact CD2-CD1 4.37Å; Y311-L315 HydrophobicContact CD2-CG 4.49Å; Y311-L315 HydrophobicContact CE1-CD1 3.59Å; Y311-L315 HydrophobicContact CE2-CD1 3.92Å; Y311-L315 HydrophobicContact CE2-CD2 4.44Å; Y311-L315 HydrophobicContact CE2-CG 4.13Å; Y311-L315 HydrophobicContact CG-CD1 4.42Å; Y311-L315 VanDerWaalsContact CZ-CD1 3.5Å; Y311-L315 WeakPolarHBondContact O-CG 3.28Å; Y311-L315 PolarHBondContact O-N 3.1Å; E312-L315 PolarHBondContact O-N 3.25Å; E312-L315 VanDerWaalsContact O-N 3.11Å; L315-K317 VanDerWaalsContact C-N 3.34Å; L315-I318 PolarHBondContact O-N 2.97Å; L315-C319 WeakPolarHBondContact O-CB 3.4Å; L315-C319 PolarHBondContact O-N 3.05Å |
| 316 | L | 98.9 | Very high | 97.3 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -37 | 177.4 | -66.7 | -179.2 | 0 | 0 | 0 | 111.7 | Y300 I303 K304 E312 I313 T314 C319 G320 | Y300-L316 HydrophobicContact CD1-CD2 4.04Å; Y300-L316 HydrophobicContact CD2-CB 4.42Å; Y300-L316 HydrophobicContact CD2-CD2 3.69Å; Y300-L316 HydrophobicContact CE1-CD1 4.29Å; Y300-L316 HydrophobicContact CE1-CD2 3.99Å; Y300-L316 HydrophobicContact CE2-CB 3.74Å; Y300-L316 HydrophobicContact CE2-CD1 4.39Å; Y300-L316 HydrophobicContact CE2-CD2 3.66Å; Y300-L316 HydrophobicContact CE2-CG 4.11Å; Y300-L316 HydrophobicContact CG-CD2 3.88Å; Y300-L316 WeakPolarHBondContact O-CD2 3.5Å; I303-L316 HydrophobicContact CB-CD2 3.85Å; I303-L316 HydrophobicContact CG2-CD2 3.57Å; I303-L316 HydrophobicContact CG2-CG 4.01Å; K304-L316 HydrophobicContact CB-CD1 4.48Å; K304-L316 HydrophobicContact CB-CD2 4.4Å; E312-L316 HydrophobicContact CG-CD1 3.78Å; E312-L316 HydrophobicContact CG-CG 4.14Å; E312-L316 WeakPolarHBondContact O-CB 3.45Å; E312-L316 VanDerWaalsContact O-CG 3.31Å; E312-L316 WeakPolarHBondContact O-CG 3.38Å; E312-L316 PolarHBondContact O-N 2.82Å; I313-L316 PolarHBondContact O-N 3.46Å; T314-L316 VanDerWaalsContact C-N 3.35Å; T314-L316 PolarHBondContact O-N 3.48Å; L316-C319 WeakPolarHBondContact O-CB 3.05Å; L316-C319 PolarHBondContact O-N 3.32Å; L316-G320 PolarHBondContact O-N 3.01Å |
| 317 | K | 98.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 39.6 Ų | 39.6 | 32% | 0.317 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 171.7 | -79.3 | -152.2 | 173.4 | -163 | 0 | 112.5 | I42 T46 E47 I313 T314 L315 C319 G320 | I42-K317 HydrophobicContact CG2-CD 3.8Å; I42-K317 HydrophobicContact CG2-CG 4.48Å; T46-K317 HydrophobicContact CG2-CB 4.1Å; T46-K317 WeakPolarHBondContact OG1-CD 3.27Å; E47-K317 IonicContact OE1-NZ 3.31Å; E47-K317 PolarHBondContact OE1-NZ 2.87Å; I313-K317 WeakPolarHBondContact O-CG 3.18Å; I313-K317 PolarHBondContact O-N 3.23Å; T314-K317 PolarHBondContact O-N 2.97Å; L315-K317 VanDerWaalsContact C-N 3.34Å; K317-C319 VanDerWaalsContact C-N 3.35Å; K317-G320 WeakPolarHBondContact O-CA 3.45Å; K317-G320 PolarHBondContact O-N 2.95Å |
| 318 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 174.1 | -61.8 | 164 | 0 | 0 | 0 | 110.8 | T11 I12 T46 L83 L87 M276 L284 T314 L315 G320 | T11-I318 VanDerWaalsContact CB-O 3.31Å; T11-I318 WeakPolarHBondContact CB-O 3.37Å; T11-I318 PolarHBondContact OG1-O 3.4Å; I12-I318 HydrophobicContact CD1-CG1 4.23Å; I12-I318 HydrophobicContact CD1-CG2 4.26Å; T46-I318 HydrophobicContact CG2-CG1 4.25Å; L83-I318 HydrophobicContact CD1-CD1 3.87Å; L83-I318 HydrophobicContact CD2-CD1 4.19Å; L83-I318 HydrophobicContact CG-CD1 4.27Å; L87-I318 HydrophobicContact CD1-CD1 4.29Å; L87-I318 HydrophobicContact CD2-CD1 3.96Å; L87-I318 HydrophobicContact CD2-CG1 4.34Å; L87-I318 HydrophobicContact CG-CD1 4.47Å; M276-I318 HydrophobicContact CB-CG2 4.3Å; M276-I318 HydrophobicContact CE-CB 4.26Å; M276-I318 HydrophobicContact CE-CG2 4.12Å; M276-I318 WeakPolarHBondContact O-CG2 3.25Å; L284-I318 HydrophobicContact CD2-CG2 3.93Å; T314-I318 HydrophobicContact CG2-CD1 4.2Å; T314-I318 VanDerWaalsContact O-CG1 3.31Å; T314-I318 WeakPolarHBondContact O-CG1 3.39Å; T314-I318 PolarHBondContact O-N 3.37Å; L315-I318 PolarHBondContact O-N 2.97Å; I318-G320 PolarHBondContact O-N 3.1Å |
| 319 | C | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -35.3 | 174.8 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | T11 M276 R288 Y300 I303 L315 L316 K317 G321 | T11-C319 VanDerWaalsContact CG2-O 3.3Å; T11-C319 WeakPolarHBondContact CG2-O 3.35Å; M276-C319 HydrophobicContact CE-CB 3.83Å; R288-C319 WeakPolarHBondContact CD-O 3.33Å; R288-C319 PolarHBondContact NH1-O 2.57Å; Y300-C319 HydrophobicContact CD2-CB 4.31Å; I303-C319 HydrophobicContact CD1-CB 4.26Å; L315-C319 WeakPolarHBondContact O-CB 3.4Å; L315-C319 PolarHBondContact O-N 3.05Å; L316-C319 WeakPolarHBondContact O-CB 3.05Å; L316-C319 PolarHBondContact O-N 3.32Å; K317-C319 VanDerWaalsContact C-N 3.35Å; C319-G321 VanDerWaalsContact C-N 3.29Å; C319-G321 PolarHBondContact O-N 3.31Å |
| 320 | G | 97.1 | Very high | 97.2 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 55% | 0.546 | 22% | 0.216 | S | C | . | . | trans | 86.3 | -24.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L316 K317 I318 | L316-G320 PolarHBondContact O-N 3.01Å; K317-G320 WeakPolarHBondContact O-CA 3.45Å; K317-G320 PolarHBondContact O-N 2.95Å; I318-G320 PolarHBondContact O-N 3.1Å | ||
| 321 | G | 93.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 22% | 0.216 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 170.4 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R288 Y300 C319 | R288-G321 PolarHBondContact NH2-O 3.47Å; Y300-G321 VanDerWaalsContact CD2-C 3.49Å; Y300-G321 WeakPolarHBondContact CD2-O 3.35Å; C319-G321 VanDerWaalsContact C-N 3.29Å; C319-G321 PolarHBondContact O-N 3.31Å |
| 322 | D | 93.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 37.8 Ų | 37.8 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | trans | -81.3 | 159.8 | 174.6 | -148.9 | -10.7 | 0 | 0 | 0 | 111.3 | R288 S298 Y300 | R288-D322 PolarHBondContact NH2-O 2.86Å; S298-D322 WeakPolarHBondContact CB-OD1 3.24Å; S298-D322 PolarHBondContact OG-OD1 3.14Å; Y300-D322 HydrophobicContact CD1-CB 4.3Å; Y300-D322 HydrophobicContact CG-CB 4.3Å | ||
| 323 | D | 88.4 | Confident | 96.8 | Very high | 77 Ų | 77 | 37.8 Ų | 37.8 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | trans | -121 | 0 | -178.4 | -63.2 | -72.7 | 0 | 0 | 0 | 111.8 | R288 K292 | R288-D323 WeakPolarHBondContact CB-OD2 3.21Å; R288-D323 IonicContact CZ-OD1 3.75Å; R288-D323 IonicContact CZ-OD2 3.53Å; R288-D323 IonicContact NE-OD1 3.96Å; R288-D323 PolarHBondContact NE-OD1 3.05Å; R288-D323 IonicContact NE-OD2 2.78Å; R288-D323 PolarHBondContact NE-OD2 2.88Å; R288-D323 VanDerWaalsContact NH2-CG 3.31Å; R288-D323 IonicContact NH2-OD1 2.85Å; R288-D323 PolarHBondContact NH2-OD1 3.44Å; R288-D323 IonicContact NH2-OD2 3.41Å; R288-D323 PolarHBondContact NH2-OD2 3.32Å; K292-D323 HydrophobicContact CD-CB 3.74Å; K292-D323 WeakPolarHBondContact CD-O 3.38Å; K292-D323 PolarHBondContact NZ-O 3.41Å; K292-D323 PolarHBondContact NZ-OXT 3.47Å |
Retrieved 323 of 323 residues in 534.2 ms
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