| 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 | 36.1 | Very low | 50.9 | Low | 229 Ų | 229 | 116.6 Ų | 116.6 | 100% | 1.128 | 64% | 0.64 | S | S | * | * | 0 | 114.5 | 0 | -83.4 | 171.7 | 168.3 | 0 | 0 | 107.3 | T3 | M1-T3 PolarHBondContact O-N 3.04Š| |||
| 2 | N | 39.7 | Very low | 53.2 | Low | 166 Ų | 166 | 107.9 Ų | 107.9 | 89% | 0.888 | 59% | 0.592 | S | S | * | * | trans | -66.5 | 94.6 | 164.5 | -78.4 | -7.6 | 0 | 0 | 0 | 106.1 | T4 | N2-T4 PolarHBondContact O-N 3.11Š| ||
| 3 | T | 40.8 | Very low | 55.5 | Low | 113 Ų | 113 | 102.2 Ų | 102.2 | 69% | 0.693 | 56% | 0.563 | S | S | * | * | trans | -64 | 96.1 | 167 | 40.5 | 0 | 0 | 0 | 0 | 105.7 | M1 T5 | M1-T3 PolarHBondContact O-N 3.04Å; T3-T5 VanDerWaalsContact C-N 3.28Å; T3-T5 PolarHBondContact O-N 2.94Å | ||
| 4 | T | 44.7 | Very low | 57.7 | Low | 127 Ų | 127 | 109.2 Ų | 109.2 | 78% | 0.779 | 58% | 0.577 | S | S | * | * | trans | -52.1 | 104.7 | 163 | 46.9 | 0 | 0 | 0 | 0 | 105 | N2 P6 | N2-T4 PolarHBondContact O-N 3.11Å; T4-P6 VanDerWaalsContact O-CD 3.3Å; T4-P6 WeakPolarHBondContact O-CD 3.18Å | ||
| 5 | T | 48.3 | Very low | 59.9 | Low | 44 Ų | 44 | 102.9 Ų | 102.9 | 27% | 0.27 | 54% | 0.544 | S | S | . | . | trans | -59.3 | 120.9 | -176.7 | -61.3 | 0 | 0 | 0 | 0 | 105.6 | T3 M7 P139 R140 | T3-T5 VanDerWaalsContact C-N 3.28Å; T3-T5 PolarHBondContact O-N 2.94Å; T5-M7 WeakPolarHBondContact O-CG 3.28Å; T5-M7 PolarHBondContact O-N 3.37Å; T5-P139 HydrophobicContact CG2-CB 4Å; T5-P139 HydrophobicContact CG2-CG 4.02Å; T5-P139 WeakPolarHBondContact OG1-CB 3.18Å; T5-R140 HydrophobicContact CG2-CG 3.67Å | ||
| 6 | P | 43.5 | Very low | 61.7 | Low | 64 Ų | 64 | 96.5 Ų | 96.5 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | trans | -64.1 | 109.7 | -169.3 | 20.7 | -32.8 | 0 | 0 | 0 | 110.5 | T4 G8 Q11 | T4-P6 VanDerWaalsContact O-CD 3.3Å; T4-P6 WeakPolarHBondContact O-CD 3.18Å; P6-G8 PolarHBondContact O-N 2.97Å; P6-Q11 VanDerWaalsContact CB-CD 3.48Å | ||
| 7 | M | 52.9 | Low | 63.3 | Low | 150 Ų | 150 | 95.1 Ų | 95.1 | 74% | 0.739 | 50% | 0.499 | S | S | * | . | trans | -78.7 | 10.8 | -177.3 | -61 | -173.7 | -56.3 | 0 | 0 | 113.4 | T5 M9 | T5-M7 WeakPolarHBondContact O-CG 3.28Å; T5-M7 PolarHBondContact O-N 3.37Å; M7-M9 PolarHBondContact O-N 2.98Å | ||
| 8 | G | 57.4 | Low | 64.9 | Low | 35 Ų | 35 | 90.2 Ų | 90.2 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | trans | -69.3 | 130.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P6 L10 Q11 | P6-G8 PolarHBondContact O-N 2.97Å; G8-L10 PolarHBondContact O-N 3.13Å; G8-Q11 PolarHBondContact O-N 2.88Å | ||
| 9 | M | 60.1 | Low | 66.3 | Low | 93 Ų | 93 | 85.7 Ų | 85.7 | 46% | 0.458 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -48.8 | -38.4 | 178.3 | -165.4 | 178.8 | 70.9 | 0 | 0 | 112.5 | M7 Q11 Q12 F17 L147 | M7-M9 PolarHBondContact O-N 2.98Å; M9-Q11 PolarHBondContact O-N 3.01Å; M9-Q11 VanDerWaalsContact O-N 3.17Å; M9-Q12 PolarHBondContact O-N 3.48Å; M9-F17 HydrophobicContact CG-CE1 3.97Å; M9-F17 WeakPolarHBondContact O-CZ 3.44Å; M9-L147 HydrophobicContact CB-CD1 4.33Å; M9-L147 HydrophobicContact CB-CD2 4.32Å; M9-L147 HydrophobicContact CG-CD1 4.34Å; M9-L147 HydrophobicContact CG-CD2 4.38Å |
| 10 | L | 64.7 | Low | 67.6 | Low | 157 Ų | 157 | 82.9 Ų | 82.9 | 82% | 0.822 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -65.9 | -12.5 | -179.8 | -64.8 | 174.6 | 0 | 0 | 0 | 115.3 | G8 | G8-L10 PolarHBondContact O-N 3.13Š|
| 11 | Q | 71.4 | Confident | 68.8 | Low | 105 Ų | 105 | 82.3 Ų | 82.3 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -98.4 | -1.6 | -177.8 | -55.4 | -163.3 | 17.5 | 0 | 0 | 113.5 | P6 G8 M9 | P6-Q11 VanDerWaalsContact CB-CD 3.48Å; G8-Q11 PolarHBondContact O-N 2.88Å; M9-Q11 PolarHBondContact O-N 3.01Å; M9-Q11 VanDerWaalsContact O-N 3.17Å |
| 12 | Q | 78.5 | Confident | 71.5 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -74.2 | 145.9 | 177.4 | -63.7 | -62.4 | -7.6 | 0 | 0 | 111 | M9 F16 F17 Y134 L147 | M9-Q12 PolarHBondContact O-N 3.48Å; Q12-F16 HydrophobicContact CB-CB 3.79Å; Q12-F16 HydrophobicContact CB-CD1 3.34Å; Q12-F16 HydrophobicContact CB-CD2 4.28Å; Q12-F16 HydrophobicContact CB-CE1 4.05Å; Q12-F16 HydrophobicContact CB-CG 3.52Å; Q12-F16 HydrophobicContact CG-CD1 3.76Å; Q12-F16 HydrophobicContact CG-CD2 4.29Å; Q12-F16 HydrophobicContact CG-CE1 3.98Å; Q12-F16 HydrophobicContact CG-CE2 4.5Å; Q12-F16 HydrophobicContact CG-CG 3.97Å; Q12-F16 HydrophobicContact CG-CZ 4.37Å; Q12-F17 HydrophobicContact CB-CE2 4.37Å; Q12-F17 WeakPolarHBondContact O-CE2 3.44Å; Q12-Y134 PolarHBondContact OE1-OH 3.35Å; Q12-L147 HydrophobicContact CG-CD1 3.74Å |
| 13 | P | 83.3 | Confident | 74.1 | Confident | 34 Ų | 34 | 64 Ų | 64 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | trans | -62.8 | 147.3 | -179.9 | 29.6 | -36.4 | 0 | 0 | 0 | 110.1 | P15 F16 Y134 | P13-P15 VanDerWaalsContact C-CD 3.42Å; P13-P15 VanDerWaalsContact C-N 3.31Å; P13-P15 VanDerWaalsContact O-N 3.08Å; P13-F16 HydrophobicContact CG-CB 4.3Å; P13-F16 WeakPolarHBondContact O-CB 3.45Å; P13-F16 PolarHBondContact O-N 2.89Å; P13-Y134 WeakPolarHBondContact CD-OH 3.45Å; P13-Y134 HydrophobicContact CG-CE1 4.01Å | ||
| 14 | R | 86.6 | Confident | 76.7 | Confident | 200 Ų | 200 | 59.9 Ų | 59.9 | 76% | 0.755 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -42 | -47.3 | 179.6 | -81.1 | -176 | -176.7 | -177.8 | 1.2 | 114.8 | F16 F17 M196 | R14-F16 PolarHBondContact O-N 2.95Å; R14-F17 PolarHBondContact O-N 3.23Å; R14-M196 HydrophobicContact CB-CE 3.6Å; R14-M196 HydrophobicContact CG-CE 4.39Å; R14-M196 WeakPolarHBondContact O-CE 3.4Å |
| 15 | P | 89.9 | Confident | 79.1 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -47.9 | -38.3 | 173.6 | -32.8 | 36.7 | 0 | 0 | 0 | 115.7 | P13 F17 M18 I19 C133 M196 V197 I200 | P13-P15 VanDerWaalsContact C-CD 3.42Å; P13-P15 VanDerWaalsContact C-N 3.31Å; P13-P15 VanDerWaalsContact O-N 3.08Å; P15-F17 VanDerWaalsContact C-N 3.34Å; P15-F17 PolarHBondContact O-N 3.22Å; P15-M18 PolarHBondContact O-N 3.17Å; P15-I19 WeakPolarHBondContact O-CG1 3.47Å; P15-I19 PolarHBondContact O-N 3.28Å; P15-I19 VanDerWaalsContact O-N 3.13Å; P15-C133 HydrophobicContact CB-CB 4.42Å; P15-C133 VanDerWaalsContact CB-SG 3.56Å; P15-M196 WeakPolarHBondContact CG-O 3.37Å; P15-V197 HydrophobicContact CB-CG1 3.85Å; P15-V197 HydrophobicContact CG-CG1 4.39Å; P15-I200 HydrophobicContact CB-CD1 4.21Å; P15-I200 HydrophobicContact CG-CD1 3.72Å |
| 16 | F | 88.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.3 | -48 | 180 | 169 | -93.4 | 0 | 0 | 0 | 111.6 | Q12 P13 R14 M18 I19 F20 L130 A144 L147 | Q12-F16 HydrophobicContact CB-CB 3.79Å; Q12-F16 HydrophobicContact CB-CD1 3.34Å; Q12-F16 HydrophobicContact CB-CD2 4.28Å; Q12-F16 HydrophobicContact CB-CE1 4.05Å; Q12-F16 HydrophobicContact CB-CG 3.52Å; Q12-F16 HydrophobicContact CG-CD1 3.76Å; Q12-F16 HydrophobicContact CG-CD2 4.29Å; Q12-F16 HydrophobicContact CG-CE1 3.98Å; Q12-F16 HydrophobicContact CG-CE2 4.5Å; Q12-F16 HydrophobicContact CG-CG 3.97Å; Q12-F16 HydrophobicContact CG-CZ 4.37Å; P13-F16 HydrophobicContact CG-CB 4.3Å; P13-F16 WeakPolarHBondContact O-CB 3.45Å; P13-F16 PolarHBondContact O-N 2.89Å; R14-F16 PolarHBondContact O-N 2.95Å; F16-M18 VanDerWaalsContact C-N 3.3Å; F16-M18 PolarHBondContact O-N 3.19Å; F16-I19 PolarHBondContact O-N 3.27Å; F16-F20 HydrophobicContact CE1-CB 4.23Å; F16-F20 HydrophobicContact CE1-CD2 4.06Å; F16-F20 HydrophobicContact CE1-CG 4.43Å; F16-F20 HydrophobicContact CZ-CB 4.26Å; F16-F20 AromaticContact CZ-CD2 3.72Å; F16-F20 HydrophobicContact CZ-CD2 3.72Å; F16-F20 HydrophobicContact CZ-CG 4.4Å; F16-F20 VanDerWaalsContact O-CB 3.29Å; F16-F20 WeakPolarHBondContact O-CB 3.45Å; F16-F20 PolarHBondContact O-N 2.87Å; F16-L130 HydrophobicContact CD2-CD1 3.66Å; F16-L130 HydrophobicContact CE2-CD1 4.32Å; F16-A144 HydrophobicContact CD2-CB 4.16Å; F16-A144 HydrophobicContact CE2-CB 4.21Å; F16-A144 WeakPolarHBondContact CE2-O 3.4Å; F16-L147 HydrophobicContact CE1-CB 4.35Å; F16-L147 HydrophobicContact CE1-CD1 4.19Å; F16-L147 HydrophobicContact CE2-CB 4.02Å; F16-L147 HydrophobicContact CZ-CB 3.41Å; F16-L147 VanDerWaalsContact CZ-CB 3.41Å; F16-L147 HydrophobicContact CZ-CD1 3.89Å; F16-L147 HydrophobicContact CZ-CG 4.31Å |
| 17 | F | 89.6 | Confident | 83.8 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.1 | -34.3 | -176.7 | -69.2 | -79 | 0 | 0 | 0 | 112.8 | M9 Q12 R14 P15 F21 | M9-F17 HydrophobicContact CG-CE1 3.97Å; M9-F17 WeakPolarHBondContact O-CZ 3.44Å; Q12-F17 HydrophobicContact CB-CE2 4.37Å; Q12-F17 WeakPolarHBondContact O-CE2 3.44Å; R14-F17 PolarHBondContact O-N 3.23Å; P15-F17 VanDerWaalsContact C-N 3.34Å; P15-F17 PolarHBondContact O-N 3.22Å; F17-F21 WeakPolarHBondContact O-CB 3.48Å; F17-F21 PolarHBondContact O-N 3.43Å |
| 18 | M | 90.8 | Very high | 85.9 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.3 | -46.7 | 174.7 | -169.7 | -157.8 | -35 | 0 | 0 | 110.9 | P15 F16 F21 V22 Y190 C193 M196 V197 | P15-M18 PolarHBondContact O-N 3.17Å; F16-M18 VanDerWaalsContact C-N 3.3Å; F16-M18 PolarHBondContact O-N 3.19Å; M18-F21 PolarHBondContact O-N 3.46Å; M18-V22 WeakPolarHBondContact O-CG2 3.26Å; M18-V22 PolarHBondContact O-N 3.16Å; M18-Y190 HydrophobicContact CG-CD2 4.15Å; M18-Y190 HydrophobicContact SD-CD2 3.41Å; M18-Y190 WeakPolarHBondContact SD-CD2 3.27Å; M18-Y190 HydrophobicContact SD-CE2 3.76Å; M18-Y190 HydrophobicContact SD-CG 4.29Å; M18-C193 HydrophobicContact CE-CB 3.96Å; M18-C193 WeakPolarHBondContact CE-O 3.41Å; M18-C193 HydrophobicContact CG-CB 3.94Å; M18-C193 HydrophobicContact SD-CB 3.98Å; M18-M196 HydrophobicContact CB-CE 4.43Å; M18-M196 HydrophobicContact CE-CB 3.51Å; M18-M196 HydrophobicContact CE-CE 4.41Å; M18-M196 HydrophobicContact CE-CG 4.12Å; M18-M196 HydrophobicContact CE-SD 3.81Å; M18-V197 HydrophobicContact CE-CG1 3.92Å; M18-V197 HydrophobicContact CE-CG2 4.09Å; M18-V197 HydrophobicContact SD-CG2 4.41Å |
| 19 | I | 91.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 179.5 | -64.1 | 169 | 0 | 0 | 0 | 110.4 | P15 F16 F21 V22 E23 P126 L129 L130 F148 | P15-I19 WeakPolarHBondContact O-CG1 3.47Å; P15-I19 PolarHBondContact O-N 3.28Å; P15-I19 VanDerWaalsContact O-N 3.13Å; F16-I19 PolarHBondContact O-N 3.27Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 2.92Å; I19-V22 PolarHBondContact O-N 2.81Å; I19-E23 WeakPolarHBondContact O-CB 3.44Å; I19-E23 PolarHBondContact O-N 3.31Å; I19-P126 HydrophobicContact CG2-CB 4.04Å; I19-L129 HydrophobicContact CD1-CB 4.21Å; I19-L129 HydrophobicContact CD1-CD2 3.99Å; I19-L129 HydrophobicContact CD1-CG 3.81Å; I19-L129 HydrophobicContact CG1-CD2 4.15Å; I19-L129 HydrophobicContact CG1-CG 4.49Å; I19-L130 HydrophobicContact CD1-CB 4.24Å; I19-L130 HydrophobicContact CG2-CB 4.28Å; I19-F148 HydrophobicContact CG2-CD2 4.29Å; I19-F148 HydrophobicContact CG2-CE2 3.87Å |
| 20 | F | 92.3 | Very high | 89.4 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.4 | -47.2 | 174.4 | 179.8 | -75.6 | 0 | 0 | 0 | 111.6 | F16 E23 L24 L147 S151 | F16-F20 HydrophobicContact CE1-CB 4.23Å; F16-F20 HydrophobicContact CE1-CD2 4.06Å; F16-F20 HydrophobicContact CE1-CG 4.43Å; F16-F20 HydrophobicContact CZ-CB 4.26Å; F16-F20 AromaticContact CZ-CD2 3.72Å; F16-F20 HydrophobicContact CZ-CD2 3.72Å; F16-F20 HydrophobicContact CZ-CG 4.4Å; F16-F20 VanDerWaalsContact O-CB 3.29Å; F16-F20 WeakPolarHBondContact O-CB 3.45Å; F16-F20 PolarHBondContact O-N 2.87Å; F20-E23 PolarHBondContact O-N 3.41Å; F20-L24 HydrophobicContact CE1-CD1 3.8Å; F20-L24 HydrophobicContact CZ-CD1 4.46Å; F20-L24 WeakPolarHBondContact O-CB 3.19Å; F20-L24 PolarHBondContact O-N 3.14Å; F20-L147 WeakPolarHBondContact CE2-O 3.27Å; F20-S151 VanDerWaalsContact CD2-CB 3.47Å |
| 21 | F | 92.7 | Very high | 91 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 31% | 0.311 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -65.3 | -43.4 | -178.9 | -176.9 | -96.9 | 0 | 0 | 0 | 112.1 | F17 M18 I19 L24 W25 V189 | F17-F21 WeakPolarHBondContact O-CB 3.48Å; F17-F21 PolarHBondContact O-N 3.43Å; M18-F21 PolarHBondContact O-N 3.46Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 2.92Å; F21-L24 PolarHBondContact O-N 3.31Å; F21-W25 AromaticContact CD1-CD1 3.85Å; F21-W25 AromaticContact CD2-CD1 3.99Å; F21-W25 AromaticContact CD2-NE1 3.93Å; F21-W25 AromaticContact CE1-CD1 3.49Å; F21-W25 VanDerWaalsContact CE1-CD1 3.49Å; F21-W25 AromaticContact CE1-NE1 3.64Å; F21-W25 AromaticContact CE2-CD1 3.65Å; F21-W25 AromaticContact CE2-NE1 3.19Å; F21-W25 AromaticContact CZ-CD1 3.4Å; F21-W25 VanDerWaalsContact CZ-CD1 3.4Å; F21-W25 AromaticContact CZ-NE1 3.03Å; F21-W25 PolarHBondContact O-N 3.32Å; F21-W25 VanDerWaalsContact O-N 3.16Å; F21-V189 HydrophobicContact CD1-CB 4.2Å; F21-V189 HydrophobicContact CD1-CG1 3.83Å; F21-V189 HydrophobicContact CE1-CB 3.76Å; F21-V189 HydrophobicContact CE1-CG1 3.74Å; F21-V189 HydrophobicContact CE1-CG2 3.79Å; F21-V189 HydrophobicContact CZ-CG2 4.29Å |
| 22 | V | 93.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.048 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 177.6 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | M18 I19 E26 I84 F122 Y190 | M18-V22 WeakPolarHBondContact O-CG2 3.26Å; M18-V22 PolarHBondContact O-N 3.16Å; I19-V22 PolarHBondContact O-N 2.81Å; V22-E26 WeakPolarHBondContact O-CB 3.43Å; V22-E26 PolarHBondContact O-N 3.04Å; V22-I84 HydrophobicContact CG1-CG2 4.29Å; V22-F122 HydrophobicContact CG1-CE2 3.9Å; V22-F122 HydrophobicContact CG1-CZ 3.61Å; V22-Y190 HydrophobicContact CG2-CD2 4Å; V22-Y190 HydrophobicContact CG2-CG 4.26Å |
| 23 | E | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.4 | -174.9 | 68.2 | -164.9 | 0 | 0 | 111.5 | I19 F20 W25 E26 R27 F148 S151 I152 | I19-E23 WeakPolarHBondContact O-CB 3.44Å; I19-E23 PolarHBondContact O-N 3.31Å; F20-E23 PolarHBondContact O-N 3.41Å; E23-W25 VanDerWaalsContact C-N 3.33Å; E23-W25 PolarHBondContact O-N 3.41Å; E23-E26 PolarHBondContact O-N 3.04Å; E23-R27 HydrophobicContact CG-CG 4.25Å; E23-R27 WeakPolarHBondContact O-CB 3.27Å; E23-R27 WeakPolarHBondContact O-CG 3.38Å; E23-R27 PolarHBondContact O-N 2.62Å; E23-R27 IonicContact OE1-CZ 2.71Å; E23-R27 IonicContact OE1-NE 3.78Å; E23-R27 PolarHBondContact OE1-NE 3.31Å; E23-R27 IonicContact OE1-NH2 3.54Å; E23-R27 PolarHBondContact OE1-NH2 2.86Å; E23-F148 HydrophobicContact CB-CD2 4.36Å; E23-F148 HydrophobicContact CB-CE2 3.63Å; E23-F148 HydrophobicContact CB-CZ 4.06Å; E23-F148 HydrophobicContact CG-CD2 4.25Å; E23-F148 HydrophobicContact CG-CE1 4.17Å; E23-F148 HydrophobicContact CG-CE2 3.52Å; E23-F148 HydrophobicContact CG-CZ 3.48Å; E23-F148 VanDerWaalsContact CG-CZ 3.48Å; E23-F148 WeakPolarHBondContact OE2-CZ 3.43Å; E23-S151 WeakPolarHBondContact CG-OG 3.47Å; E23-I152 HydrophobicContact CG-CG1 3.91Å |
| 24 | L | 95 | Very high | 93.6 | Very high | 28 Ų | 28 | 28.4 Ų | 28.4 | 15% | 0.147 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 180 | -176.6 | 154.9 | 0 | 0 | 0 | 111.8 | F20 F21 R27 F28 I154 | F20-L24 HydrophobicContact CE1-CD1 3.8Å; F20-L24 HydrophobicContact CZ-CD1 4.46Å; F20-L24 WeakPolarHBondContact O-CB 3.19Å; F20-L24 PolarHBondContact O-N 3.14Å; F21-L24 PolarHBondContact O-N 3.31Å; L24-R27 PolarHBondContact O-N 3.26Å; L24-F28 PolarHBondContact O-N 3Å; L24-I154 HydrophobicContact CD1-CB 4.37Å; L24-I154 HydrophobicContact CD1-CG2 3.87Å |
| 25 | W | 94.7 | Very high | 94 | Very high | 72 Ų | 72 | 19 Ų | 19 | 27% | 0.273 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -74.1 | -33.3 | 179.9 | -81.5 | 105.5 | 0 | 0 | 0 | 113.5 | F21 E23 R27 F28 G29 A186 | F21-W25 AromaticContact CD1-CD1 3.85Å; F21-W25 AromaticContact CD2-CD1 3.99Å; F21-W25 AromaticContact CD2-NE1 3.93Å; F21-W25 AromaticContact CE1-CD1 3.49Å; F21-W25 VanDerWaalsContact CE1-CD1 3.49Å; F21-W25 AromaticContact CE1-NE1 3.64Å; F21-W25 AromaticContact CE2-CD1 3.65Å; F21-W25 AromaticContact CE2-NE1 3.19Å; F21-W25 AromaticContact CZ-CD1 3.4Å; F21-W25 VanDerWaalsContact CZ-CD1 3.4Å; F21-W25 AromaticContact CZ-NE1 3.03Å; F21-W25 PolarHBondContact O-N 3.32Å; F21-W25 VanDerWaalsContact O-N 3.16Å; E23-W25 VanDerWaalsContact C-N 3.33Å; E23-W25 PolarHBondContact O-N 3.41Å; W25-R27 VanDerWaalsContact C-N 3.3Å; W25-F28 HydrophobicContact CE3-CB 4.36Å; W25-F28 AromaticContact CE3-CD1 3.99Å; W25-F28 HydrophobicContact CE3-CD1 3.99Å; W25-F28 HydrophobicContact CE3-CG 4.28Å; W25-F28 HydrophobicContact CZ3-CD1 4.01Å; W25-F28 HydrophobicContact CZ3-CE1 4.29Å; W25-F28 HydrophobicContact CZ3-CG 4.38Å; W25-F28 PolarHBondContact O-N 3.19Å; W25-G29 PolarHBondContact O-N 3.12Å; W25-A186 HydrophobicContact CB-CB 3.44Å; W25-A186 VanDerWaalsContact CB-CB 3.44Å; W25-A186 HydrophobicContact CG-CB 3.9Å |
| 26 | E | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 170.2 | -171.9 | -89.4 | 167.1 | 0 | 0 | 111 | V22 E23 F28 G29 Y30 L91 N119 F122 L183 | V22-E26 WeakPolarHBondContact O-CB 3.43Å; V22-E26 PolarHBondContact O-N 3.04Å; E23-E26 PolarHBondContact O-N 3.04Å; E26-F28 VanDerWaalsContact C-N 3.34Å; E26-F28 PolarHBondContact O-N 3.17Å; E26-G29 PolarHBondContact O-N 3.34Å; E26-Y30 VanDerWaalsContact O-CB 3.31Å; E26-Y30 WeakPolarHBondContact O-CB 3.42Å; E26-Y30 PolarHBondContact O-N 2.92Å; E26-L91 HydrophobicContact CG-CD1 3.85Å; E26-N119 PolarHBondContact OE1-ND2 3.08Å; E26-F122 HydrophobicContact CB-CD1 4.26Å; E26-F122 HydrophobicContact CB-CE1 3.48Å; E26-F122 VanDerWaalsContact CB-CE1 3.48Å; E26-F122 HydrophobicContact CB-CE2 4.45Å; E26-F122 HydrophobicContact CB-CZ 3.56Å; E26-F122 HydrophobicContact CG-CD1 3.61Å; E26-F122 HydrophobicContact CG-CE1 3.36Å; E26-F122 HydrophobicContact CG-CE2 4.4Å; E26-F122 HydrophobicContact CG-CG 4.23Å; E26-F122 HydrophobicContact CG-CZ 3.76Å; E26-L183 HydrophobicContact CB-CD1 4.01Å; E26-L183 HydrophobicContact CG-CD1 4.3Å |
| 27 | R | 95.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 18.3 Ų | 18.3 | 3% | 0.034 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 177.5 | -65.8 | -77.3 | 170.8 | -115 | -16.6 | 111.5 | E23 L24 W25 Y30 Y31 I152 | E23-R27 HydrophobicContact CG-CG 4.25Å; E23-R27 WeakPolarHBondContact O-CB 3.27Å; E23-R27 WeakPolarHBondContact O-CG 3.38Å; E23-R27 PolarHBondContact O-N 2.62Å; E23-R27 IonicContact OE1-CZ 2.71Å; E23-R27 IonicContact OE1-NE 3.78Å; E23-R27 PolarHBondContact OE1-NE 3.31Å; E23-R27 IonicContact OE1-NH2 3.54Å; E23-R27 PolarHBondContact OE1-NH2 2.86Å; L24-R27 PolarHBondContact O-N 3.26Å; W25-R27 VanDerWaalsContact C-N 3.3Å; R27-Y30 PolarHBondContact O-N 2.89Å; R27-Y31 HydrophobicContact CB-CD2 4.37Å; R27-Y31 WeakPolarHBondContact O-CB 3.4Å; R27-Y31 WeakPolarHBondContact O-CD2 3.35Å; R27-Y31 PolarHBondContact O-N 3.37Å; R27-I152 HydrophobicContact CG-CB 4.19Å; R27-I152 HydrophobicContact CG-CG1 4.02Å; R27-I152 HydrophobicContact CG-CG2 4.15Å |
| 28 | F | 96 | Very high | 95.2 | Very high | 25 Ų | 25 | 14.9 Ų | 14.9 | 11% | 0.11 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 171 | 173.9 | -90.3 | 0 | 0 | 0 | 111.3 | L24 W25 E26 G32 I158 A159 | L24-F28 PolarHBondContact O-N 3Å; W25-F28 HydrophobicContact CE3-CB 4.36Å; W25-F28 AromaticContact CE3-CD1 3.99Å; W25-F28 HydrophobicContact CE3-CD1 3.99Å; W25-F28 HydrophobicContact CE3-CG 4.28Å; W25-F28 HydrophobicContact CZ3-CD1 4.01Å; W25-F28 HydrophobicContact CZ3-CE1 4.29Å; W25-F28 HydrophobicContact CZ3-CG 4.38Å; W25-F28 PolarHBondContact O-N 3.19Å; E26-F28 VanDerWaalsContact C-N 3.34Å; E26-F28 PolarHBondContact O-N 3.17Å; F28-G32 WeakPolarHBondContact O-CA 3.37Å; F28-G32 PolarHBondContact O-N 3.11Å; F28-I158 HydrophobicContact CD2-CB 4.29Å; F28-I158 HydrophobicContact CD2-CG2 3.88Å; F28-I158 HydrophobicContact CE2-CG2 3.86Å; F28-A159 HydrophobicContact CB-CB 4.46Å; F28-A159 HydrophobicContact CD2-CB 3.68Å; F28-A159 HydrophobicContact CE2-CB 4.13Å; F28-A159 HydrophobicContact CG-CB 4.19Å; F28-A159 WeakPolarHBondContact O-CB 3.17Å |
| 29 | G | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W25 E26 G32 V33 | W25-G29 PolarHBondContact O-N 3.12Å; E26-G29 PolarHBondContact O-N 3.34Å; G29-G32 PolarHBondContact O-N 3.38Å; G29-V33 VanDerWaalsContact O-CG2 3.24Å; G29-V33 WeakPolarHBondContact O-CG2 3.4Å; G29-V33 PolarHBondContact O-N 2.93Å |
| 30 | Y | 96.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.008 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.6 | -53 | -178.1 | 177.9 | -97 | 0 | 0 | 0 | 112.3 | E26 R27 G32 V33 Q34 V63 Y95 N119 | E26-Y30 VanDerWaalsContact O-CB 3.31Å; E26-Y30 WeakPolarHBondContact O-CB 3.42Å; E26-Y30 PolarHBondContact O-N 2.92Å; R27-Y30 PolarHBondContact O-N 2.89Å; Y30-G32 VanDerWaalsContact C-N 3.32Å; Y30-V33 PolarHBondContact O-N 2.9Å; Y30-Q34 VanDerWaalsContact CE1-CD 3.44Å; Y30-Q34 HydrophobicContact CE1-CG 4.36Å; Y30-Q34 HydrophobicContact CE2-CG 4.45Å; Y30-Q34 VanDerWaalsContact CZ-OE1 3.31Å; Y30-Q34 WeakPolarHBondContact O-CB 3.2Å; Y30-Q34 WeakPolarHBondContact O-CG 3.38Å; Y30-Q34 PolarHBondContact O-N 3.14Å; Y30-Q34 PolarHBondContact OH-NE2 3.12Å; Y30-Q34 PolarHBondContact OH-OE1 3.15Å; Y30-V63 HydrophobicContact CE2-CG1 3.92Å; Y30-Y95 WeakPolarHBondContact CA-OH 3.43Å; Y30-Y95 PolarHBondContact N-OH 3.27Å; Y30-N119 WeakPolarHBondContact CD2-ND2 3.49Å |
| 31 | Y | 96.9 | Very high | 96.1 | Very high | 31 Ų | 31 | 13 Ų | 13 | 12% | 0.122 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -72.1 | -27.9 | 178.6 | -77 | -84.4 | 0 | 0 | 0 | 112.3 | R27 Q34 G35 I152 S156 L160 | R27-Y31 HydrophobicContact CB-CD2 4.37Å; R27-Y31 WeakPolarHBondContact O-CB 3.4Å; R27-Y31 WeakPolarHBondContact O-CD2 3.35Å; R27-Y31 PolarHBondContact O-N 3.37Å; Y31-Q34 PolarHBondContact O-N 2.96Å; Y31-G35 WeakPolarHBondContact O-CA 3.18Å; Y31-G35 PolarHBondContact O-N 2.98Å; Y31-I152 HydrophobicContact CE2-CG2 4.47Å; Y31-S156 VanDerWaalsContact CG-CB 3.47Å; Y31-L160 HydrophobicContact CD1-CD1 4.23Å |
| 32 | G | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F28 G29 Y30 V36 | F28-G32 WeakPolarHBondContact O-CA 3.37Å; F28-G32 PolarHBondContact O-N 3.11Å; G29-G32 PolarHBondContact O-N 3.38Å; Y30-G32 VanDerWaalsContact C-N 3.32Å; G32-V36 WeakPolarHBondContact O-CG2 3.41Å |
| 33 | V | 96.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.012 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.6 | -53.2 | 172.5 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | G29 Y30 G35 V36 L37 Y95 I115 Y176 C179 | G29-V33 VanDerWaalsContact O-CG2 3.24Å; G29-V33 WeakPolarHBondContact O-CG2 3.4Å; G29-V33 PolarHBondContact O-N 2.93Å; Y30-V33 PolarHBondContact O-N 2.9Å; V33-G35 PolarHBondContact O-N 3.13Å; V33-V36 PolarHBondContact O-N 3.25Å; V33-L37 VanDerWaalsContact O-CB 3.31Å; V33-L37 WeakPolarHBondContact O-CB 3.39Å; V33-L37 PolarHBondContact O-N 3.28Å; V33-L37 VanDerWaalsContact O-N 3.13Å; V33-Y95 HydrophobicContact CB-CD1 4.26Å; V33-Y95 HydrophobicContact CB-CE1 4.15Å; V33-Y95 HydrophobicContact CG1-CD1 4.43Å; V33-Y95 HydrophobicContact CG1-CE1 4.48Å; V33-Y95 HydrophobicContact CG2-CD1 3.34Å; V33-Y95 HydrophobicContact CG2-CD2 4.45Å; V33-Y95 HydrophobicContact CG2-CE1 3.6Å; V33-Y95 HydrophobicContact CG2-CG 3.83Å; V33-I115 HydrophobicContact CG1-CD1 4.18Å; V33-Y176 HydrophobicContact CB-CD1 4.22Å; V33-Y176 HydrophobicContact CB-CE1 4.16Å; V33-Y176 HydrophobicContact CG1-CD1 4.17Å; V33-Y176 HydrophobicContact CG1-CE1 3.87Å; V33-Y176 HydrophobicContact CG2-CD1 3.71Å; V33-Y176 HydrophobicContact CG2-CE1 4.17Å; V33-C179 HydrophobicContact CG2-CB 3.94Å |
| 34 | Q | 95.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 8% | 0.084 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | -174.3 | -74.1 | -162.4 | -14.8 | 0 | 0 | 113.9 | Y30 Y31 V36 L37 F56 F59 | Y30-Q34 VanDerWaalsContact CE1-CD 3.44Å; Y30-Q34 HydrophobicContact CE1-CG 4.36Å; Y30-Q34 HydrophobicContact CE2-CG 4.45Å; Y30-Q34 VanDerWaalsContact CZ-OE1 3.31Å; Y30-Q34 WeakPolarHBondContact O-CB 3.2Å; Y30-Q34 WeakPolarHBondContact O-CG 3.38Å; Y30-Q34 PolarHBondContact O-N 3.14Å; Y30-Q34 PolarHBondContact OH-NE2 3.12Å; Y30-Q34 PolarHBondContact OH-OE1 3.15Å; Y31-Q34 PolarHBondContact O-N 2.96Å; Q34-V36 PolarHBondContact O-N 3.38Å; Q34-L37 PolarHBondContact O-N 3.41Å; Q34-F56 HydrophobicContact CB-CE2 4.46Å; Q34-F59 HydrophobicContact CG-CE1 4.22Å |
| 35 | G | 96.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.3 | -29.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y31 V33 V312 Q315 | Y31-G35 WeakPolarHBondContact O-CA 3.18Å; Y31-G35 PolarHBondContact O-N 2.98Å; V33-G35 PolarHBondContact O-N 3.13Å; G35-V312 WeakPolarHBondContact O-CG1 3.33Å; G35-Q315 PolarHBondContact O-NE2 2.99Å |
| 36 | V | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -106.5 | -4.2 | 179.9 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | G32 V33 Q34 V39 F40 A163 P164 A167 Y172 Y176 V312 | G32-V36 WeakPolarHBondContact O-CG2 3.41Å; V33-V36 PolarHBondContact O-N 3.25Å; Q34-V36 PolarHBondContact O-N 3.38Å; V36-V39 PolarHBondContact O-N 3.23Å; V36-F40 VanDerWaalsContact O-CB 3.3Å; V36-F40 WeakPolarHBondContact O-CB 3.36Å; V36-F40 PolarHBondContact O-N 3.12Å; V36-A163 HydrophobicContact CG1-CB 4.5Å; V36-P164 HydrophobicContact CG1-CB 3.98Å; V36-P164 HydrophobicContact CG1-CG 3.81Å; V36-A167 HydrophobicContact CG1-CB 4.42Å; V36-Y172 HydrophobicContact CB-CD1 4.39Å; V36-Y172 HydrophobicContact CB-CE1 3.98Å; V36-Y172 HydrophobicContact CG2-CD1 4.21Å; V36-Y172 HydrophobicContact CG2-CE1 4.3Å; V36-Y176 HydrophobicContact CG2-CE1 3.81Å; V36-V312 HydrophobicContact CG1-CG1 4.33Å |
| 37 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.4 | -47 | -167.7 | -172.1 | 62 | 0 | 0 | 0 | 113.8 | V33 Q34 V39 F40 F41 F56 F59 T98 L112 | V33-L37 VanDerWaalsContact O-CB 3.31Å; V33-L37 WeakPolarHBondContact O-CB 3.39Å; V33-L37 PolarHBondContact O-N 3.28Å; V33-L37 VanDerWaalsContact O-N 3.13Å; Q34-L37 PolarHBondContact O-N 3.41Å; L37-V39 VanDerWaalsContact C-N 3.3Å; L37-V39 PolarHBondContact O-N 2.93Å; L37-F40 HydrophobicContact CD1-CD1 4.33Å; L37-F40 WeakPolarHBondContact O-CB 3.35Å; L37-F40 PolarHBondContact O-N 3.3Å; L37-F41 HydrophobicContact CD1-CD1 4.33Å; L37-F41 HydrophobicContact CD1-CE1 3.55Å; L37-F41 HydrophobicContact CD1-CE2 4.47Å; L37-F41 HydrophobicContact CD1-CZ 3.64Å; L37-F41 HydrophobicContact CD2-CE2 4.26Å; L37-F41 HydrophobicContact CD2-CZ 3.79Å; L37-F41 HydrophobicContact CG-CE1 3.84Å; L37-F41 HydrophobicContact CG-CE2 3.85Å; L37-F41 HydrophobicContact CG-CZ 3.43Å; L37-F41 VanDerWaalsContact CG-CZ 3.43Å; L37-F41 WeakPolarHBondContact O-CG 3.47Å; L37-F41 PolarHBondContact O-N 3.15Å; L37-F56 HydrophobicContact CB-CD2 4.26Å; L37-F56 HydrophobicContact CB-CE2 4.21Å; L37-F56 HydrophobicContact CD2-CD2 3.98Å; L37-F56 HydrophobicContact CD2-CE2 4.17Å; L37-F56 HydrophobicContact CG-CD2 4.35Å; L37-F59 HydrophobicContact CD2-CD1 3.79Å; L37-F59 HydrophobicContact CD2-CE1 3.77Å; L37-T98 HydrophobicContact CD1-CG2 4.46Å; L37-L112 HydrophobicContact CD1-CD2 4.16Å; L37-L112 HydrophobicContact CD2-CD2 3.78Å |
| 38 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F40 F41 V42 F56 P289 F294 | A38-F40 VanDerWaalsContact C-N 3.33Å; A38-F41 PolarHBondContact O-N 3.1Å; A38-V42 PolarHBondContact O-N 3.22Å; A38-F56 HydrophobicContact CB-CD2 4.4Å; A38-P289 WeakPolarHBondContact CB-O 3.42Å; A38-F294 HydrophobicContact CB-CE2 4Å |
| 39 | V | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 175 | -175.3 | 0 | 0 | 0 | 0 | 111 | V36 L37 V42 K43 Y172 N293 F294 I297 V312 | V36-V39 PolarHBondContact O-N 3.23Å; L37-V39 VanDerWaalsContact C-N 3.3Å; L37-V39 PolarHBondContact O-N 2.93Å; V39-V42 PolarHBondContact O-N 3.39Å; V39-K43 HydrophobicContact CG1-CD 3.65Å; V39-K43 HydrophobicContact CG1-CG 3.93Å; V39-K43 VanDerWaalsContact O-CB 3.3Å; V39-K43 WeakPolarHBondContact O-CB 3.08Å; V39-K43 PolarHBondContact O-N 2.9Å; V39-Y172 VanDerWaalsContact CG1-OH 3.3Å; V39-Y172 WeakPolarHBondContact CG1-OH 3.4Å; V39-N293 WeakPolarHBondContact CG2-ND2 3.44Å; V39-F294 HydrophobicContact CG2-CE2 4.16Å; V39-F294 HydrophobicContact CG2-CZ 4.24Å; V39-I297 HydrophobicContact CG1-CD1 4.48Å; V39-I297 HydrophobicContact CG2-CD1 3.65Å; V39-V312 HydrophobicContact CG2-CG2 3.92Å |
| 40 | F | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -45.6 | 174.9 | 173.5 | -110.3 | 0 | 0 | 0 | 112.3 | V36 L37 A38 V42 Q44 L45 T98 S101 L102 I108 Y172 Y176 | V36-F40 VanDerWaalsContact O-CB 3.3Å; V36-F40 WeakPolarHBondContact O-CB 3.36Å; V36-F40 PolarHBondContact O-N 3.12Å; L37-F40 HydrophobicContact CD1-CD1 4.33Å; L37-F40 WeakPolarHBondContact O-CB 3.35Å; L37-F40 PolarHBondContact O-N 3.3Å; A38-F40 VanDerWaalsContact C-N 3.33Å; F40-V42 VanDerWaalsContact C-N 3.31Å; F40-V42 PolarHBondContact O-N 2.9Å; F40-Q44 HydrophobicContact CD2-CB 3.54Å; F40-Q44 HydrophobicContact CD2-CG 3.65Å; F40-Q44 HydrophobicContact CE2-CB 3.45Å; F40-Q44 VanDerWaalsContact CE2-CB 3.45Å; F40-Q44 HydrophobicContact CE2-CG 3.9Å; F40-Q44 HydrophobicContact CG-CB 4.5Å; F40-Q44 HydrophobicContact CZ-CB 4.39Å; F40-Q44 WeakPolarHBondContact O-CA 3.42Å; F40-Q44 WeakPolarHBondContact O-CB 3.22Å; F40-Q44 PolarHBondContact O-N 3.38Å; F40-L45 HydrophobicContact CD1-CD1 4.26Å; F40-L45 HydrophobicContact CD1-CG 4.34Å; F40-L45 HydrophobicContact CE1-CD1 3.65Å; F40-L45 HydrophobicContact CE1-CD2 4.09Å; F40-L45 HydrophobicContact CE1-CG 3.77Å; F40-L45 HydrophobicContact CE2-CD2 4.48Å; F40-L45 HydrophobicContact CZ-CD1 4.18Å; F40-L45 HydrophobicContact CZ-CD2 3.75Å; F40-L45 HydrophobicContact CZ-CG 3.87Å; F40-L45 PolarHBondContact O-N 2.99Å; F40-T98 HydrophobicContact CE1-CG2 4.36Å; F40-S101 WeakPolarHBondContact CE1-OG 3.45Å; F40-S101 VanDerWaalsContact CZ-OG 3.27Å; F40-S101 WeakPolarHBondContact CZ-OG 3.25Å; F40-L102 HydrophobicContact CE2-CD1 3.37Å; F40-L102 HydrophobicContact CE2-CG 3.74Å; F40-L102 HydrophobicContact CZ-CD1 3.62Å; F40-L102 HydrophobicContact CZ-CG 4.14Å; F40-I108 HydrophobicContact CE1-CD1 4.01Å; F40-Y172 HydrophobicContact CB-CD1 3.7Å; F40-Y172 HydrophobicContact CB-CE1 3.77Å; F40-Y172 AromaticContact CD2-CD1 3.6Å; F40-Y172 HydrophobicContact CD2-CD1 3.6Å; F40-Y172 HydrophobicContact CD2-CD2 4.41Å; F40-Y172 HydrophobicContact CD2-CE1 4.32Å; F40-Y172 AromaticContact CD2-CG 3.66Å; F40-Y172 HydrophobicContact CD2-CG 3.66Å; F40-Y172 HydrophobicContact CE2-CG 4.39Å; F40-Y172 HydrophobicContact CG-CD1 4.04Å; F40-Y176 WeakPolarHBondContact CB-OH 3.41Å; F40-Y176 HydrophobicContact CD1-CE2 4.04Å; F40-Y176 WeakPolarHBondContact CD1-OH 3.41Å; F40-Y176 AromaticContact CD2-CE2 3.88Å; F40-Y176 HydrophobicContact CD2-CE2 3.88Å; F40-Y176 HydrophobicContact CE1-CE2 4.19Å; F40-Y176 HydrophobicContact CE2-CE2 4.09Å; F40-Y176 AromaticContact CG-CE2 3.88Å; F40-Y176 HydrophobicContact CG-CE2 3.88Å; F40-Y176 AromaticContact CG-CZ 3.98Å; F40-Y176 WeakPolarHBondContact CG-OH 3.44Å; F40-Y176 HydrophobicContact CZ-CE2 4.23Å |
| 41 | F | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.4 | -48.7 | 175.3 | -64.1 | -25.2 | 0 | 0 | 0 | 111.5 | L37 A38 L45 G46 F47 A52 T55 F56 I108 L112 | L37-F41 HydrophobicContact CD1-CD1 4.33Å; L37-F41 HydrophobicContact CD1-CE1 3.55Å; L37-F41 HydrophobicContact CD1-CE2 4.47Å; L37-F41 HydrophobicContact CD1-CZ 3.64Å; L37-F41 HydrophobicContact CD2-CE2 4.26Å; L37-F41 HydrophobicContact CD2-CZ 3.79Å; L37-F41 HydrophobicContact CG-CE1 3.84Å; L37-F41 HydrophobicContact CG-CE2 3.85Å; L37-F41 HydrophobicContact CG-CZ 3.43Å; L37-F41 VanDerWaalsContact CG-CZ 3.43Å; L37-F41 WeakPolarHBondContact O-CG 3.47Å; L37-F41 PolarHBondContact O-N 3.15Å; A38-F41 PolarHBondContact O-N 3.1Å; F41-L45 HydrophobicContact CD1-CD1 4.09Å; F41-L45 CarbonylContact O-C 3.41Å; F41-L45 WeakPolarHBondContact O-CB 3.32Å; F41-L45 PolarHBondContact O-N 3.41Å; F41-G46 PolarHBondContact O-N 3.15Å; F41-G46 VanDerWaalsContact O-N 3.16Å; F41-F47 HydrophobicContact CB-CB 4.06Å; F41-F47 HydrophobicContact CB-CD2 3.78Å; F41-F47 HydrophobicContact CB-CG 4.06Å; F41-F47 HydrophobicContact CD1-CE2 4.45Å; F41-F47 HydrophobicContact CG-CD2 4.06Å; F41-F47 HydrophobicContact CG-CE2 4.38Å; F41-F47 WeakPolarHBondContact O-CB 3.38Å; F41-F47 PolarHBondContact O-N 3.23Å; F41-A52 HydrophobicContact CB-CB 3.72Å; F41-A52 HydrophobicContact CD2-CB 3.98Å; F41-A52 HydrophobicContact CG-CB 4.38Å; F41-T55 HydrophobicContact CE2-CG2 3.89Å; F41-T55 HydrophobicContact CZ-CG2 3.95Å; F41-F56 HydrophobicContact CE2-CB 4.31Å; F41-I108 HydrophobicContact CD1-CG1 4.32Å; F41-I108 HydrophobicContact CE1-CD1 3.98Å; F41-I108 HydrophobicContact CE1-CG1 3.69Å; F41-L112 HydrophobicContact CE1-CD1 4.12Å; F41-L112 HydrophobicContact CZ-CD1 3.67Å; F41-L112 HydrophobicContact CZ-CD2 4.38Å |
| 42 | V | 96.4 | Very high | 96.3 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 19% | 0.188 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.7 | -54.4 | -178 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | A38 V39 F40 F47 Q49 A52 F294 | A38-V42 PolarHBondContact O-N 3.22Å; V39-V42 PolarHBondContact O-N 3.39Å; F40-V42 VanDerWaalsContact C-N 3.31Å; F40-V42 PolarHBondContact O-N 2.9Å; V42-F47 WeakPolarHBondContact CA-O 3.47Å; V42-Q49 HydrophobicContact CG2-CG 4.21Å; V42-A52 HydrophobicContact CG2-CB 3.61Å; V42-F294 HydrophobicContact CB-CE1 4.25Å; V42-F294 HydrophobicContact CB-CZ 4.11Å; V42-F294 HydrophobicContact CG1-CE1 4.32Å; V42-F294 HydrophobicContact CG2-CE1 3.99Å; V42-F294 HydrophobicContact CG2-CZ 3.64Å |
| 43 | K | 94.4 | Very high | 96.3 | Very high | 126 Ų | 126 | 30.3 Ų | 30.3 | 55% | 0.548 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -77.6 | -25.8 | -170.2 | -67.2 | -165.8 | 177.5 | -174.8 | 0 | 114.6 | V39 | V39-K43 HydrophobicContact CG1-CD 3.65Å; V39-K43 HydrophobicContact CG1-CG 3.93Å; V39-K43 VanDerWaalsContact O-CB 3.3Å; V39-K43 WeakPolarHBondContact O-CB 3.08Å; V39-K43 PolarHBondContact O-N 2.9Å |
| 44 | Q | 94.8 | Very high | 96.3 | Very high | 94 Ų | 94 | 32.2 Ų | 32.2 | 44% | 0.439 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -120.3 | -30.2 | -171.3 | -59.1 | -64.3 | -40.9 | 0 | 0 | 113.5 | F40 Y172 | F40-Q44 HydrophobicContact CD2-CB 3.54Å; F40-Q44 HydrophobicContact CD2-CG 3.65Å; F40-Q44 HydrophobicContact CE2-CB 3.45Å; F40-Q44 VanDerWaalsContact CE2-CB 3.45Å; F40-Q44 HydrophobicContact CE2-CG 3.9Å; F40-Q44 HydrophobicContact CG-CB 4.5Å; F40-Q44 HydrophobicContact CZ-CB 4.39Å; F40-Q44 WeakPolarHBondContact O-CA 3.42Å; F40-Q44 WeakPolarHBondContact O-CB 3.22Å; F40-Q44 PolarHBondContact O-N 3.38Å; Q44-Y172 HydrophobicContact CG-CD2 3.64Å; Q44-Y172 HydrophobicContact CG-CE2 3.93Å; Q44-Y172 HydrophobicContact CG-CG 4.17Å |
| 45 | L | 95 | Very high | 96.3 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -101.6 | -4.2 | 178.2 | -56.5 | -171.1 | 0 | 0 | 0 | 113.7 | F40 F41 F47 P105 I108 | F40-L45 HydrophobicContact CD1-CD1 4.26Å; F40-L45 HydrophobicContact CD1-CG 4.34Å; F40-L45 HydrophobicContact CE1-CD1 3.65Å; F40-L45 HydrophobicContact CE1-CD2 4.09Å; F40-L45 HydrophobicContact CE1-CG 3.77Å; F40-L45 HydrophobicContact CE2-CD2 4.48Å; F40-L45 HydrophobicContact CZ-CD1 4.18Å; F40-L45 HydrophobicContact CZ-CD2 3.75Å; F40-L45 HydrophobicContact CZ-CG 3.87Å; F40-L45 PolarHBondContact O-N 2.99Å; F41-L45 HydrophobicContact CD1-CD1 4.09Å; F41-L45 CarbonylContact O-C 3.41Å; F41-L45 WeakPolarHBondContact O-CB 3.32Å; F41-L45 PolarHBondContact O-N 3.41Å; L45-F47 VanDerWaalsContact C-N 3.32Å; L45-F47 HydrophobicContact CB-CD1 3.93Å; L45-F47 HydrophobicContact CB-CE1 3.96Å; L45-F47 PolarHBondContact O-N 2.84Å; L45-P105 HydrophobicContact CD2-CB 4.15Å; L45-P105 HydrophobicContact CD2-CG 4.38Å; L45-I108 HydrophobicContact CD1-CB 3.76Å; L45-I108 HydrophobicContact CD1-CD1 4.21Å; L45-I108 HydrophobicContact CD1-CG1 3.64Å; L45-I108 HydrophobicContact CD1-CG2 3.97Å |
| 46 | G | 93.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 31.7 Ų | 31.7 | 66% | 0.66 | 17% | 0.173 | S | C | * | . | trans | 71.5 | 24.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F41 | F41-G46 PolarHBondContact O-N 3.15Å; F41-G46 VanDerWaalsContact O-N 3.16Å | ||
| 47 | F | 95.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 9% | 0.092 | 17% | 0.173 | C | C | . | . | trans | -74.3 | 144.4 | 174.8 | -73 | 19.4 | 0 | 0 | 0 | 109.5 | F41 V42 L45 Q51 A52 T55 I108 F109 | F41-F47 HydrophobicContact CB-CB 4.06Å; F41-F47 HydrophobicContact CB-CD2 3.78Å; F41-F47 HydrophobicContact CB-CG 4.06Å; F41-F47 HydrophobicContact CD1-CE2 4.45Å; F41-F47 HydrophobicContact CG-CD2 4.06Å; F41-F47 HydrophobicContact CG-CE2 4.38Å; F41-F47 WeakPolarHBondContact O-CB 3.38Å; F41-F47 PolarHBondContact O-N 3.23Å; V42-F47 WeakPolarHBondContact CA-O 3.47Å; L45-F47 VanDerWaalsContact C-N 3.32Å; L45-F47 HydrophobicContact CB-CD1 3.93Å; L45-F47 HydrophobicContact CB-CE1 3.96Å; L45-F47 PolarHBondContact O-N 2.84Å; F47-Q51 HydrophobicContact CB-CB 4.2Å; F47-Q51 HydrophobicContact CB-CG 4.3Å; F47-Q51 HydrophobicContact CD2-CB 4.35Å; F47-Q51 HydrophobicContact CD2-CG 3.68Å; F47-Q51 HydrophobicContact CE2-CG 4.17Å; F47-Q51 HydrophobicContact CG-CB 4.49Å; F47-Q51 HydrophobicContact CG-CG 4.04Å; F47-A52 HydrophobicContact CB-CB 4.4Å; F47-T55 HydrophobicContact CE2-CG2 4.38Å; F47-I108 HydrophobicContact CZ-CG2 4.24Å; F47-F109 HydrophobicContact CE2-CZ 4.23Å; F47-F109 HydrophobicContact CZ-CE2 4.23Å; F47-F109 HydrophobicContact CZ-CZ 4.03Å | ||
| 48 | S | 96.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 28% | 0.28 | 18% | 0.175 | S | C | . | . | trans | -63.4 | 157.3 | 163.4 | 70.9 | 0 | 0 | 0 | 0 | 110 | E50 Q51 A52 | S48-E50 PolarHBondContact O-N 3.38Å; S48-Q51 PolarHBondContact O-N 3.37Å; S48-Q51 VanDerWaalsContact O-N 3.15Å; S48-Q51 WeakPolarHBondContact OG-CB 3.25Å; S48-Q51 PolarHBondContact OG-N 2.92Å; S48-Q51 VanDerWaalsContact OG-N 3.13Å; S48-A52 WeakPolarHBondContact O-CB 3.3Å; S48-A52 PolarHBondContact O-N 3.28Å | ||
| 49 | Q | 97 | Very high | 96.1 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.4 | -39.6 | 175 | -71.4 | -170.8 | 24.3 | 0 | 0 | 111.9 | V42 A52 F53 F294 A439 Y454 | V42-Q49 HydrophobicContact CG2-CG 4.21Å; Q49-A52 PolarHBondContact O-N 2.72Å; Q49-F53 HydrophobicContact CB-CE2 3.95Å; Q49-F53 HydrophobicContact CB-CZ 4.02Å; Q49-F53 HydrophobicContact CG-CZ 4.46Å; Q49-F53 WeakPolarHBondContact O-CD1 3.25Å; Q49-F53 VanDerWaalsContact O-CD2 3.22Å; Q49-F53 WeakPolarHBondContact O-CD2 3.41Å; Q49-F53 WeakPolarHBondContact O-CG 3.2Å; Q49-F53 PolarHBondContact O-N 2.89Å; Q49-F294 HydrophobicContact CG-CD1 4.21Å; Q49-F294 HydrophobicContact CG-CE1 4.05Å; Q49-A439 HydrophobicContact CB-CB 3.88Å; Q49-Y454 PolarHBondContact OE1-OH 3.28Å |
| 50 | E | 96.5 | Very high | 96.1 | Very high | 114 Ų | 114 | 31.9 Ų | 31.9 | 53% | 0.533 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.2 | -51.7 | 175.3 | 178.4 | 176.2 | -174.7 | 0 | 0 | 111.4 | S48 A52 F53 V54 T436 A439 | S48-E50 PolarHBondContact O-N 3.38Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 3.4Å; E50-F53 PolarHBondContact O-N 3.42Å; E50-V54 WeakPolarHBondContact O-CG2 3.34Å; E50-V54 PolarHBondContact O-N 3Å; E50-T436 HydrophobicContact CG-CG2 3.91Å; E50-A439 HydrophobicContact CB-CB 3.95Å |
| 51 | Q | 95.3 | Very high | 96 | Very high | 83 Ų | 83 | 32.3 Ų | 32.3 | 39% | 0.388 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 178.8 | -173.7 | -176.5 | 14 | 0 | 0 | 111.4 | F47 S48 T55 | F47-Q51 HydrophobicContact CB-CB 4.2Å; F47-Q51 HydrophobicContact CB-CG 4.3Å; F47-Q51 HydrophobicContact CD2-CB 4.35Å; F47-Q51 HydrophobicContact CD2-CG 3.68Å; F47-Q51 HydrophobicContact CE2-CG 4.17Å; F47-Q51 HydrophobicContact CG-CB 4.49Å; F47-Q51 HydrophobicContact CG-CG 4.04Å; S48-Q51 PolarHBondContact O-N 3.37Å; S48-Q51 VanDerWaalsContact O-N 3.15Å; S48-Q51 WeakPolarHBondContact OG-CB 3.25Å; S48-Q51 PolarHBondContact OG-N 2.92Å; S48-Q51 VanDerWaalsContact OG-N 3.13Å; Q51-T55 WeakPolarHBondContact O-CB 3.34Å; Q51-T55 PolarHBondContact O-N 2.97Å; Q51-T55 PolarHBondContact O-OG1 3.44Å |
| 52 | A | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F41 V42 F47 S48 Q49 E50 F56 | F41-A52 HydrophobicContact CB-CB 3.72Å; F41-A52 HydrophobicContact CD2-CB 3.98Å; F41-A52 HydrophobicContact CG-CB 4.38Å; V42-A52 HydrophobicContact CG2-CB 3.61Å; F47-A52 HydrophobicContact CB-CB 4.4Å; S48-A52 WeakPolarHBondContact O-CB 3.3Å; S48-A52 PolarHBondContact O-N 3.28Å; Q49-A52 PolarHBondContact O-N 2.72Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 3.4Å; A52-F56 VanDerWaalsContact O-CB 3.25Å; A52-F56 WeakPolarHBondContact O-CB 3.36Å; A52-F56 PolarHBondContact O-N 3.28Å |
| 53 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.2 | -41.3 | -178.9 | -59.3 | -22.2 | 0 | 0 | 0 | 112.7 | Q49 E50 F56 G57 T290 F294 A435 T436 A439 | Q49-F53 HydrophobicContact CB-CE2 3.95Å; Q49-F53 HydrophobicContact CB-CZ 4.02Å; Q49-F53 HydrophobicContact CG-CZ 4.46Å; Q49-F53 WeakPolarHBondContact O-CD1 3.25Å; Q49-F53 VanDerWaalsContact O-CD2 3.22Å; Q49-F53 WeakPolarHBondContact O-CD2 3.41Å; Q49-F53 WeakPolarHBondContact O-CG 3.2Å; Q49-F53 PolarHBondContact O-N 2.89Å; E50-F53 PolarHBondContact O-N 3.42Å; F53-F56 PolarHBondContact O-N 3.19Å; F53-G57 PolarHBondContact O-N 2.84Å; F53-T290 HydrophobicContact CB-CG2 4.46Å; F53-T290 HydrophobicContact CD1-CG2 3.77Å; F53-T290 HydrophobicContact CE1-CG2 4.43Å; F53-T290 HydrophobicContact CG-CG2 4.33Å; F53-F294 AromaticContact CE1-CD2 3.56Å; F53-F294 HydrophobicContact CE1-CD2 3.56Å; F53-F294 AromaticContact CE1-CE2 3.58Å; F53-F294 HydrophobicContact CE1-CE2 3.58Å; F53-F294 HydrophobicContact CE1-CG 4.33Å; F53-F294 HydrophobicContact CE1-CZ 4.36Å; F53-F294 HydrophobicContact CZ-CB 4.44Å; F53-F294 AromaticContact CZ-CD2 3.72Å; F53-F294 HydrophobicContact CZ-CD2 3.72Å; F53-F294 HydrophobicContact CZ-CE2 4.11Å; F53-F294 HydrophobicContact CZ-CG 4.04Å; F53-A435 HydrophobicContact CB-CB 4Å; F53-A435 HydrophobicContact CD2-CB 3.82Å; F53-A435 VanDerWaalsContact CD2-O 3.25Å; F53-A435 WeakPolarHBondContact CD2-O 3.12Å; F53-A435 HydrophobicContact CE2-CB 4.49Å; F53-A435 WeakPolarHBondContact CE2-O 3.44Å; F53-A435 HydrophobicContact CG-CB 3.93Å; F53-T436 HydrophobicContact CB-CG2 4.39Å; F53-A439 HydrophobicContact CE2-CB 4.36Å |
| 54 | V | 95.9 | Very high | 95.9 | Very high | 42 Ų | 42 | 26.8 Ų | 26.8 | 26% | 0.255 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | E50 F56 G57 A58 V235 T436 | E50-V54 WeakPolarHBondContact O-CG2 3.34Å; E50-V54 PolarHBondContact O-N 3Å; V54-F56 PolarHBondContact O-N 2.83Å; V54-G57 PolarHBondContact O-N 2.92Å; V54-A58 WeakPolarHBondContact O-CB 3.3Å; V54-A58 PolarHBondContact O-N 2.92Å; V54-V235 HydrophobicContact CG1-CB 4.39Å; V54-V235 HydrophobicContact CG1-CG1 3.99Å; V54-V235 HydrophobicContact CG1-CG2 3.94Å; V54-T436 HydrophobicContact CG2-CG2 3.58Å |
| 55 | T | 95.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | F41 F47 Q51 A58 F59 F109 L112 | F41-T55 HydrophobicContact CE2-CG2 3.89Å; F41-T55 HydrophobicContact CZ-CG2 3.95Å; F47-T55 HydrophobicContact CE2-CG2 4.38Å; Q51-T55 WeakPolarHBondContact O-CB 3.34Å; Q51-T55 PolarHBondContact O-N 2.97Å; Q51-T55 PolarHBondContact O-OG1 3.44Å; T55-A58 PolarHBondContact O-N 3.5Å; T55-F59 VanDerWaalsContact O-CB 3.31Å; T55-F59 WeakPolarHBondContact O-CB 3.36Å; T55-F59 PolarHBondContact O-N 3.17Å; T55-F109 HydrophobicContact CG2-CD1 4.46Å; T55-F109 HydrophobicContact CG2-CE1 3.74Å; T55-F109 HydrophobicContact CG2-CZ 4.49Å; T55-L112 HydrophobicContact CG2-CD1 3.99Å |
| 56 | F | 96.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 176.7 | -173.4 | -81.6 | 0 | 0 | 0 | 111.7 | Q34 L37 A38 F41 A52 F53 V54 F59 A60 P289 T290 | Q34-F56 HydrophobicContact CB-CE2 4.46Å; L37-F56 HydrophobicContact CB-CD2 4.26Å; L37-F56 HydrophobicContact CB-CE2 4.21Å; L37-F56 HydrophobicContact CD2-CD2 3.98Å; L37-F56 HydrophobicContact CD2-CE2 4.17Å; L37-F56 HydrophobicContact CG-CD2 4.35Å; A38-F56 HydrophobicContact CB-CD2 4.4Å; F41-F56 HydrophobicContact CE2-CB 4.31Å; A52-F56 VanDerWaalsContact O-CB 3.25Å; A52-F56 WeakPolarHBondContact O-CB 3.36Å; A52-F56 PolarHBondContact O-N 3.28Å; F53-F56 PolarHBondContact O-N 3.19Å; V54-F56 PolarHBondContact O-N 2.83Å; F56-F59 PolarHBondContact O-N 3.04Å; F56-A60 HydrophobicContact CE1-CB 4.41Å; F56-A60 WeakPolarHBondContact O-CB 3.1Å; F56-A60 PolarHBondContact O-N 3.46Å; F56-P289 HydrophobicContact CD1-CG 4.26Å; F56-P289 HydrophobicContact CE1-CB 4.04Å; F56-P289 HydrophobicContact CE1-CG 3.35Å; F56-P289 HydrophobicContact CE2-CB 3.99Å; F56-P289 HydrophobicContact CE2-CG 4.22Å; F56-P289 HydrophobicContact CZ-CB 3.55Å; F56-P289 HydrophobicContact CZ-CG 3.34Å; F56-T290 HydrophobicContact CB-CG2 4.35Å; F56-T290 HydrophobicContact CD1-CG2 3.89Å; F56-T290 HydrophobicContact CG-CG2 4.16Å |
| 57 | G | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F53 V54 A60 A61 F428 | F53-G57 PolarHBondContact O-N 2.84Å; V54-G57 PolarHBondContact O-N 2.92Å; G57-A60 PolarHBondContact O-N 3.38Å; G57-A61 WeakPolarHBondContact O-CB 3.3Å; G57-A61 PolarHBondContact O-N 2.81Å; G57-F428 WeakPolarHBondContact CA-O 3.3Å |
| 58 | A | 96.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V54 T55 A61 L62 M232 V235 | V54-A58 WeakPolarHBondContact O-CB 3.3Å; V54-A58 PolarHBondContact O-N 2.92Å; T55-A58 PolarHBondContact O-N 3.5Å; A58-A61 PolarHBondContact O-N 3.37Å; A58-L62 WeakPolarHBondContact O-CG 3.48Å; A58-L62 PolarHBondContact O-N 2.84Å; A58-M232 HydrophobicContact CB-CG 4.21Å; A58-V235 HydrophobicContact CB-CG2 4.41Å |
| 59 | F | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.9 | -50.6 | 174.9 | 162.1 | -115.5 | 0 | 0 | 0 | 111.8 | Q34 L37 T55 F56 A61 L62 V63 L112 I115 A116 M232 | Q34-F59 HydrophobicContact CG-CE1 4.22Å; L37-F59 HydrophobicContact CD2-CD1 3.79Å; L37-F59 HydrophobicContact CD2-CE1 3.77Å; T55-F59 VanDerWaalsContact O-CB 3.31Å; T55-F59 WeakPolarHBondContact O-CB 3.36Å; T55-F59 PolarHBondContact O-N 3.17Å; F56-F59 PolarHBondContact O-N 3.04Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.36Å; F59-L62 PolarHBondContact O-N 2.91Å; F59-V63 HydrophobicContact CD2-CG2 3.96Å; F59-V63 HydrophobicContact CE1-CG2 4.31Å; F59-V63 HydrophobicContact CE2-CG2 3.44Å; F59-V63 VanDerWaalsContact CE2-CG2 3.44Å; F59-V63 HydrophobicContact CZ-CG2 3.65Å; F59-V63 WeakPolarHBondContact O-CG2 3.41Å; F59-V63 PolarHBondContact O-N 2.85Å; F59-L112 HydrophobicContact CB-CD1 4.4Å; F59-L112 HydrophobicContact CD1-CD2 4.26Å; F59-L112 HydrophobicContact CD2-CB 3.83Å; F59-L112 HydrophobicContact CD2-CD2 3.94Å; F59-L112 HydrophobicContact CD2-CG 4.36Å; F59-L112 HydrophobicContact CE1-CD2 4.36Å; F59-L112 HydrophobicContact CE2-CB 4.31Å; F59-L112 HydrophobicContact CE2-CD2 4.07Å; F59-L112 WeakPolarHBondContact CE2-O 3.43Å; F59-L112 HydrophobicContact CG-CB 4.41Å; F59-L112 HydrophobicContact CG-CD2 4.04Å; F59-L112 HydrophobicContact CZ-CD2 4.28Å; F59-I115 HydrophobicContact CE2-CB 3.94Å; F59-I115 HydrophobicContact CE2-CG2 3.79Å; F59-I115 HydrophobicContact CZ-CB 4.22Å; F59-I115 HydrophobicContact CZ-CG2 3.65Å; F59-A116 HydrophobicContact CE2-CB 4.47Å; F59-M232 HydrophobicContact CB-SD 3.93Å |
| 60 | A | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F56 G57 L62 V63 Y64 F428 | F56-A60 HydrophobicContact CE1-CB 4.41Å; F56-A60 WeakPolarHBondContact O-CB 3.1Å; F56-A60 PolarHBondContact O-N 3.46Å; G57-A60 PolarHBondContact O-N 3.38Å; A60-L62 VanDerWaalsContact C-N 3.34Å; A60-L62 PolarHBondContact O-N 2.91Å; A60-V63 WeakPolarHBondContact O-CB 3.32Å; A60-V63 PolarHBondContact O-N 3.25Å; A60-Y64 WeakPolarHBondContact O-CD2 3.16Å; A60-Y64 PolarHBondContact O-N 3.16Å; A60-Y64 VanDerWaalsContact O-N 3.09Å; A60-F428 HydrophobicContact CB-CB 3.79Å; A60-F428 HydrophobicContact CB-CD1 3.57Å; A60-F428 HydrophobicContact CB-CE1 4.36Å; A60-F428 HydrophobicContact CB-CG 3.79Å |
| 61 | A | 95.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 7% | 0.074 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G57 A58 F59 Y64 G65 A425 L429 | G57-A61 WeakPolarHBondContact O-CB 3.3Å; G57-A61 PolarHBondContact O-N 2.81Å; A58-A61 PolarHBondContact O-N 3.37Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.36Å; A61-Y64 PolarHBondContact O-N 3.34Å; A61-G65 PolarHBondContact O-N 3.31Å; A61-A425 HydrophobicContact CB-CB 4.41Å; A61-A425 VanDerWaalsContact CB-O 3.23Å; A61-A425 WeakPolarHBondContact CB-O 3.49Å; A61-A425 WeakPolarHBondContact O-CB 3.35Å; A61-L429 HydrophobicContact CB-CB 4.01Å; A61-L429 HydrophobicContact CB-CD1 4.27Å |
| 62 | L | 95.7 | Very high | 95.4 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 15% | 0.147 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.5 | -68.5 | 169.7 | 0 | 0 | 0 | 111.9 | A58 F59 A60 Y64 G65 L66 A116 C228 L231 M232 | A58-L62 WeakPolarHBondContact O-CG 3.48Å; A58-L62 PolarHBondContact O-N 2.84Å; F59-L62 PolarHBondContact O-N 2.91Å; A60-L62 VanDerWaalsContact C-N 3.34Å; A60-L62 PolarHBondContact O-N 2.91Å; L62-Y64 VanDerWaalsContact C-N 3.31Å; L62-Y64 PolarHBondContact O-N 3.24Å; L62-G65 PolarHBondContact O-N 2.71Å; L62-L66 VanDerWaalsContact O-CG 3.27Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 3.18Å; L62-L66 VanDerWaalsContact O-N 3.1Å; L62-A116 HydrophobicContact CB-CB 4.01Å; L62-C228 HydrophobicContact CD1-CB 3.91Å; L62-L231 HydrophobicContact CD2-CD1 3.94Å; L62-M232 HydrophobicContact CD1-CE 4.43Å; L62-M232 HydrophobicContact CD1-CG 3.73Å; L62-M232 HydrophobicContact CD1-SD 4.17Å |
| 63 | V | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -53.3 | -48.9 | 176 | 166 | 0 | 0 | 0 | 0 | 111 | Y30 F59 A60 I67 A116 N119 | Y30-V63 HydrophobicContact CE2-CG1 3.92Å; F59-V63 HydrophobicContact CD2-CG2 3.96Å; F59-V63 HydrophobicContact CE1-CG2 4.31Å; F59-V63 HydrophobicContact CE2-CG2 3.44Å; F59-V63 VanDerWaalsContact CE2-CG2 3.44Å; F59-V63 HydrophobicContact CZ-CG2 3.65Å; F59-V63 WeakPolarHBondContact O-CG2 3.41Å; F59-V63 PolarHBondContact O-N 2.85Å; A60-V63 WeakPolarHBondContact O-CB 3.32Å; A60-V63 PolarHBondContact O-N 3.25Å; V63-I67 WeakPolarHBondContact O-CG1 3.26Å; V63-A116 HydrophobicContact CG2-CB 4.05Å; V63-N119 HydrophobicContact CG1-CB 4.06Å; V63-N119 VanDerWaalsContact CG1-OD1 3.27Å; V63-N119 WeakPolarHBondContact CG1-OD1 3.4Å |
| 64 | Y | 94.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 22.4 Ų | 22.4 | 5% | 0.051 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.9 | -39.2 | 179.8 | -72.4 | -73.4 | 0 | 0 | 0 | 113 | A60 A61 L62 L66 I67 K123 F421 Q424 F428 | A60-Y64 WeakPolarHBondContact O-CD2 3.16Å; A60-Y64 PolarHBondContact O-N 3.16Å; A60-Y64 VanDerWaalsContact O-N 3.09Å; A61-Y64 PolarHBondContact O-N 3.34Å; L62-Y64 VanDerWaalsContact C-N 3.31Å; L62-Y64 PolarHBondContact O-N 3.24Å; Y64-L66 VanDerWaalsContact C-N 3.27Å; Y64-L66 PolarHBondContact O-N 2.86Å; Y64-I67 HydrophobicContact CD1-CD1 3.69Å; Y64-I67 HydrophobicContact CE1-CD1 4.41Å; Y64-I67 HydrophobicContact CG-CD1 4.46Å; Y64-I67 WeakPolarHBondContact O-CG1 3.18Å; Y64-I67 PolarHBondContact O-N 2.94Å; Y64-K123 VanDerWaalsContact CE1-NZ 3.27Å; Y64-F421 HydrophobicContact CD1-CD1 4.47Å; Y64-Q424 HydrophobicContact CD1-CB 3.97Å; Y64-Q424 HydrophobicContact CD1-CG 4.47Å; Y64-Q424 HydrophobicContact CD2-CB 4.25Å; Y64-Q424 HydrophobicContact CG-CB 3.83Å; Y64-F428 AromaticContact CD2-CD2 3.55Å; Y64-F428 HydrophobicContact CD2-CD2 3.55Å; Y64-F428 AromaticContact CD2-CE2 3.78Å; Y64-F428 HydrophobicContact CD2-CE2 3.78Å; Y64-F428 HydrophobicContact CD2-CG 4.25Å; Y64-F428 AromaticContact CE2-CD2 3.38Å; Y64-F428 HydrophobicContact CE2-CD2 3.38Å; Y64-F428 HydrophobicContact CE2-CE1 4.32Å; Y64-F428 AromaticContact CE2-CE2 3.12Å; Y64-F428 HydrophobicContact CE2-CE2 3.12Å; Y64-F428 HydrophobicContact CE2-CG 4.11Å; Y64-F428 AromaticContact CE2-CZ 3.64Å; Y64-F428 HydrophobicContact CE2-CZ 3.64Å; Y64-F428 AromaticContact CZ-CE2 3.66Å |
| 65 | G | 93 | Very high | 95.1 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 31% | 0.309 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -60.2 | -34.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A61 L62 | A61-G65 PolarHBondContact O-N 3.31Å; L62-G65 PolarHBondContact O-N 2.71Å |
| 66 | L | 95.4 | Very high | 95 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 9% | 0.094 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -9.8 | -175.9 | -64 | 178.2 | 0 | 0 | 0 | 114.9 | L62 Y64 S68 I69 G70 A116 V117 M224 | L62-L66 VanDerWaalsContact O-CG 3.27Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 3.18Å; L62-L66 VanDerWaalsContact O-N 3.1Å; Y64-L66 VanDerWaalsContact C-N 3.27Å; Y64-L66 PolarHBondContact O-N 2.86Å; L66-S68 VanDerWaalsContact C-N 3.29Å; L66-S68 PolarHBondContact O-N 3.38Å; L66-I69 HydrophobicContact CD2-CD1 3.77Å; L66-I69 PolarHBondContact O-N 2.89Å; L66-I69 VanDerWaalsContact O-N 3.16Å; L66-G70 PolarHBondContact O-N 2.77Å; L66-A116 HydrophobicContact CD1-CB 4.14Å; L66-V117 HydrophobicContact CD1-CG2 3.99Å; L66-M224 HydrophobicContact CD2-CE 3.65Å |
| 67 | I | 94.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | -177.6 | -62.6 | 172.1 | 0 | 0 | 0 | 111.4 | V63 Y64 I69 G70 G71 K123 A124 F421 | V63-I67 WeakPolarHBondContact O-CG1 3.26Å; Y64-I67 HydrophobicContact CD1-CD1 3.69Å; Y64-I67 HydrophobicContact CE1-CD1 4.41Å; Y64-I67 HydrophobicContact CG-CD1 4.46Å; Y64-I67 WeakPolarHBondContact O-CG1 3.18Å; Y64-I67 PolarHBondContact O-N 2.94Å; I67-I69 VanDerWaalsContact C-N 3.31Å; I67-I69 PolarHBondContact O-N 3.46Å; I67-G70 PolarHBondContact O-N 3.47Å; I67-G71 PolarHBondContact O-N 3.41Å; I67-K123 HydrophobicContact CD1-CD 3.62Å; I67-K123 HydrophobicContact CD1-CG 4.15Å; I67-K123 HydrophobicContact CG1-CB 4.33Å; I67-K123 HydrophobicContact CG1-CD 4.13Å; I67-K123 HydrophobicContact CG1-CG 4.4Å; I67-K123 HydrophobicContact CG2-CB 4.49Å; I67-A124 HydrophobicContact CG2-CB 3.99Å; I67-F421 HydrophobicContact CB-CD1 4.34Å; I67-F421 HydrophobicContact CB-CD2 4.2Å; I67-F421 HydrophobicContact CB-CE2 4.37Å; I67-F421 HydrophobicContact CB-CG 4.19Å; I67-F421 HydrophobicContact CD1-CD1 3.56Å; I67-F421 HydrophobicContact CD1-CE1 3.67Å; I67-F421 HydrophobicContact CD1-CG 4.21Å; I67-F421 HydrophobicContact CD1-CZ 4.4Å; I67-F421 HydrophobicContact CG2-CD1 4.35Å; I67-F421 HydrophobicContact CG2-CD2 3.99Å; I67-F421 HydrophobicContact CG2-CE1 4.04Å; I67-F421 HydrophobicContact CG2-CE2 3.65Å; I67-F421 HydrophobicContact CG2-CG 4.33Å; I67-F421 HydrophobicContact CG2-CZ 3.69Å |
| 68 | S | 91.4 | Very high | 94.9 | Very high | 60 Ų | 60 | 30 Ų | 30 | 42% | 0.42 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.3 | -37 | -179.6 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | L66 G71 Y72 | L66-S68 VanDerWaalsContact C-N 3.29Å; L66-S68 PolarHBondContact O-N 3.38Å; S68-G71 PolarHBondContact O-N 3.43Å; S68-Y72 PolarHBondContact O-N 3.18Å; S68-Y72 VanDerWaalsContact O-N 3.12Å |
| 69 | I | 93.7 | Very high | 94.9 | Very high | 90 Ų | 90 | 29.8 Ų | 29.8 | 46% | 0.462 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.9 | -47.2 | 178.1 | -58.3 | -179.5 | 0 | 0 | 0 | 110 | L66 I67 G71 Y72 V73 | L66-I69 HydrophobicContact CD2-CD1 3.77Å; L66-I69 PolarHBondContact O-N 2.89Å; L66-I69 VanDerWaalsContact O-N 3.16Å; I67-I69 VanDerWaalsContact C-N 3.31Å; I67-I69 PolarHBondContact O-N 3.46Å; I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 3.44Å; I69-Y72 WeakPolarHBondContact O-CB 3.22Å; I69-Y72 PolarHBondContact O-N 3.03Å; I69-Y72 VanDerWaalsContact O-N 3.17Å; I69-V73 WeakPolarHBondContact O-CG2 3.09Å; I69-V73 PolarHBondContact O-N 3.14Å |
| 70 | G | 95.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.6 | -30.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L66 I67 V73 G74 G120 N125 | L66-G70 PolarHBondContact O-N 2.77Å; I67-G70 PolarHBondContact O-N 3.47Å; G70-V73 PolarHBondContact O-N 3.15Å; G70-G74 PolarHBondContact O-N 3.24Å; G70-G120 VanDerWaalsContact CA-O 3.28Å; G70-G120 WeakPolarHBondContact CA-O 3.41Å; G70-N125 PolarHBondContact O-ND2 3.42Å |
| 71 | G | 93.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 12% | 0.124 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | I67 S68 I69 V73 G74 D75 | I67-G71 PolarHBondContact O-N 3.41Å; S68-G71 PolarHBondContact O-N 3.43Å; I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 3.44Å; G71-V73 PolarHBondContact O-N 3.05Å; G71-G74 PolarHBondContact O-N 3.31Å; G71-D75 PolarHBondContact O-N 2.78Å |
| 72 | Y | 94.1 | Very high | 94.7 | Very high | 138 Ų | 138 | 33.7 Ų | 33.7 | 54% | 0.541 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 175.8 | -178.1 | -92.8 | 0 | 0 | 0 | 112.6 | S68 I69 G74 D75 H76 L77 | S68-Y72 PolarHBondContact O-N 3.18Å; S68-Y72 VanDerWaalsContact O-N 3.12Å; I69-Y72 WeakPolarHBondContact O-CB 3.22Å; I69-Y72 PolarHBondContact O-N 3.03Å; I69-Y72 VanDerWaalsContact O-N 3.17Å; Y72-G74 VanDerWaalsContact C-N 3.28Å; Y72-G74 PolarHBondContact O-N 2.94Å; Y72-D75 PolarHBondContact O-N 3.15Å; Y72-H76 AromaticContact CD2-ND1 3.48Å; Y72-H76 WeakPolarHBondContact CD2-ND1 3.43Å; Y72-H76 HydrophobicContact CE1-CB 4.42Å; Y72-H76 HydrophobicContact CE2-CB 4.24Å; Y72-H76 AromaticContact CE2-CG 3.92Å; Y72-H76 AromaticContact CE2-ND1 3.66Å; Y72-H76 PolarHBondContact O-N 3.45Å; Y72-H76 PolarHBondContact O-ND1 2.95Å; Y72-L77 HydrophobicContact CD1-CD1 3.99Å; Y72-L77 HydrophobicContact CE1-CD1 3.9Å; Y72-L77 HydrophobicContact CE1-CG 4.31Å |
| 73 | V | 96.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -58.7 | -43.4 | 175.2 | 174 | 0 | 0 | 0 | 0 | 111.3 | I69 G70 G71 L77 L78 T83 L121 V217 | I69-V73 WeakPolarHBondContact O-CG2 3.09Å; I69-V73 PolarHBondContact O-N 3.14Å; G70-V73 PolarHBondContact O-N 3.15Å; G71-V73 PolarHBondContact O-N 3.05Å; V73-L77 HydrophobicContact CB-CD1 4.41Å; V73-L77 HydrophobicContact CG1-CB 4.36Å; V73-L77 HydrophobicContact CG2-CD1 3.94Å; V73-L77 WeakPolarHBondContact O-CB 3.35Å; V73-L77 PolarHBondContact O-N 2.95Å; V73-L77 VanDerWaalsContact O-N 3.1Å; V73-L78 HydrophobicContact CG1-CB 4.44Å; V73-L78 HydrophobicContact CG1-CD1 4.11Å; V73-L78 HydrophobicContact CG1-CG 4.07Å; V73-L78 PolarHBondContact O-N 3.42Å; V73-T83 HydrophobicContact CB-CG2 4.28Å; V73-T83 HydrophobicContact CG1-CG2 3.88Å; V73-L121 HydrophobicContact CB-CD2 4.32Å; V73-L121 HydrophobicContact CG1-CD2 4.19Å; V73-L121 HydrophobicContact CG2-CD2 4.33Å; V73-V217 HydrophobicContact CG1-CG1 3.93Å; V73-V217 HydrophobicContact CG1-CG2 3.89Å |
| 74 | G | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -58.9 | -51.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G70 G71 Y72 G79 T80 T83 N125 | G70-G74 PolarHBondContact O-N 3.24Å; G71-G74 PolarHBondContact O-N 3.31Å; Y72-G74 VanDerWaalsContact C-N 3.28Å; Y72-G74 PolarHBondContact O-N 2.94Å; G74-G79 CarbonylContact O-C 3.56Å; G74-G79 WeakPolarHBondContact O-CA 3.06Å; G74-G79 PolarHBondContact O-N 2.85Å; G74-T80 PolarHBondContact O-N 2.86Å; G74-T83 WeakPolarHBondContact CA-OG1 3.33Å; G74-N125 WeakPolarHBondContact CA-OD1 3.38Å |
| 75 | D | 92.5 | Very high | 94.8 | Very high | 53 Ų | 53 | 33.7 Ų | 33.7 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -79.5 | -29.3 | -171.7 | -73.4 | -34 | 0 | 0 | 0 | 113.4 | G71 Y72 S128 K132 S202 P204 | G71-D75 PolarHBondContact O-N 2.78Å; Y72-D75 PolarHBondContact O-N 3.15Å; D75-S128 PolarHBondContact OD1-OG 2.89Å; D75-K132 IonicContact OD1-NZ 3.07Å; D75-K132 PolarHBondContact OD1-NZ 3.49Å; D75-S202 PolarHBondContact OD1-OG 3.47Å; D75-P204 WeakPolarHBondContact O-CD 3.41Å |
| 76 | H | 93.3 | Very high | 95 | Very high | 103 Ų | 103 | 33.3 Ų | 33.3 | 48% | 0.477 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -124 | -25.6 | -167.7 | -54.3 | 90.8 | 0 | 0 | 0 | 115.4 | Y72 K213 | Y72-H76 AromaticContact CD2-ND1 3.48Å; Y72-H76 WeakPolarHBondContact CD2-ND1 3.43Å; Y72-H76 HydrophobicContact CE1-CB 4.42Å; Y72-H76 HydrophobicContact CE2-CB 4.24Å; Y72-H76 AromaticContact CE2-CG 3.92Å; Y72-H76 AromaticContact CE2-ND1 3.66Å; Y72-H76 PolarHBondContact O-N 3.45Å; Y72-H76 PolarHBondContact O-ND1 2.95Å; H76-K213 PolarHBondContact O-NZ 3.26Å |
| 77 | L | 94.7 | Very high | 95.1 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 27% | 0.267 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -101.5 | -70.2 | -173.1 | -73.2 | 159.2 | 0 | 0 | 0 | 112.3 | Y72 V73 K213 V217 | Y72-L77 HydrophobicContact CD1-CD1 3.99Å; Y72-L77 HydrophobicContact CE1-CD1 3.9Å; Y72-L77 HydrophobicContact CE1-CG 4.31Å; V73-L77 HydrophobicContact CB-CD1 4.41Å; V73-L77 HydrophobicContact CG1-CB 4.36Å; V73-L77 HydrophobicContact CG2-CD1 3.94Å; V73-L77 WeakPolarHBondContact O-CB 3.35Å; V73-L77 PolarHBondContact O-N 2.95Å; V73-L77 VanDerWaalsContact O-N 3.1Å; L77-K213 HydrophobicContact CD2-CD 4.3Å; L77-K213 HydrophobicContact CD2-CG 4.45Å; L77-K213 VanDerWaalsContact O-CD 3.22Å; L77-K213 WeakPolarHBondContact O-CD 3.46Å; L77-V217 HydrophobicContact CB-CG2 4.48Å; L77-V217 HydrophobicContact CD1-CG2 4.43Å |
| 78 | L | 95.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -98.2 | -30.2 | -173 | -61.2 | -174.7 | 0 | 0 | 0 | 113.3 | V73 R82 L86 K213 L214 V217 | V73-L78 HydrophobicContact CG1-CB 4.44Å; V73-L78 HydrophobicContact CG1-CD1 4.11Å; V73-L78 HydrophobicContact CG1-CG 4.07Å; V73-L78 PolarHBondContact O-N 3.42Å; L78-R82 HydrophobicContact CB-CB 4.29Å; L78-R82 WeakPolarHBondContact O-CD 3.45Å; L78-R82 PolarHBondContact O-NH1 3.25Å; L78-L86 HydrophobicContact CD1-CD2 3.96Å; L78-K213 HydrophobicContact CD2-CB 4.1Å; L78-L214 HydrophobicContact CD1-CD1 4.36Å; L78-L214 HydrophobicContact CD2-CB 4.35Å; L78-V217 HydrophobicContact CD1-CB 3.88Å; L78-V217 HydrophobicContact CD1-CG1 3.74Å; L78-V217 HydrophobicContact CD1-CG2 3.96Å; L78-V217 HydrophobicContact CD2-CG2 4.2Å; L78-V217 HydrophobicContact CG-CB 4.38Å; L78-V217 HydrophobicContact CG-CG2 3.93Å |
| 79 | G | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | 103.4 | 145.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G74 K81 R82 T83 D205 | G74-G79 CarbonylContact O-C 3.56Å; G74-G79 WeakPolarHBondContact O-CA 3.06Å; G74-G79 PolarHBondContact O-N 2.85Å; G79-K81 VanDerWaalsContact C-N 3.31Å; G79-K81 PolarHBondContact O-N 3.38Å; G79-R82 PolarHBondContact O-N 3.26Å; G79-T83 WeakPolarHBondContact O-CB 3.31Å; G79-T83 PolarHBondContact O-N 2.98Å; G79-T83 PolarHBondContact O-OG1 3.09Å; G79-D205 VanDerWaalsContact CA-CG 3.46Å; G79-D205 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 80 | T | 94.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.1 | -43.8 | -177.9 | 47 | 0 | 0 | 0 | 0 | 112.1 | G74 R82 T83 I84 S202 D205 | G74-T80 PolarHBondContact O-N 2.86Å; T80-R82 PolarHBondContact O-N 3.35Å; T80-T83 PolarHBondContact O-N 2.87Å; T80-I84 VanDerWaalsContact O-CG1 3.25Å; T80-I84 WeakPolarHBondContact O-CG1 3.39Å; T80-I84 PolarHBondContact O-N 2.81Å; T80-S202 WeakPolarHBondContact CG2-OG 3.28Å; T80-S202 PolarHBondContact OG1-N 3.11Å; T80-D205 PolarHBondContact N-OD1 3.4Å; T80-D205 PolarHBondContact N-OD2 3.27Å; T80-D205 PolarHBondContact OG1-OD2 3.1Å |
| 81 | K | 95.2 | Very high | 95.8 | Very high | 30 Ų | 30 | 29.6 Ų | 29.6 | 13% | 0.13 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | -175.8 | -67.3 | -176.3 | -70.6 | -151.1 | 0 | 112.1 | G79 V85 L129 Y190 V197 K198 I200 D205 | G79-K81 VanDerWaalsContact C-N 3.31Å; G79-K81 PolarHBondContact O-N 3.38Å; K81-V85 WeakPolarHBondContact O-CG2 3.34Å; K81-V85 PolarHBondContact O-N 3.3Å; K81-L129 HydrophobicContact CG-CD1 4.11Å; K81-L129 HydrophobicContact CG-CD2 4.24Å; K81-Y190 WeakPolarHBondContact CA-OH 3.44Å; K81-Y190 VanDerWaalsContact CB-OH 3.28Å; K81-Y190 WeakPolarHBondContact CB-OH 3.4Å; K81-Y190 PolarHBondContact O-OH 3.01Å; K81-V197 HydrophobicContact CD-CB 4.24Å; K81-V197 HydrophobicContact CD-CG2 3.81Å; K81-V197 WeakPolarHBondContact CD-O 3.41Å; K81-V197 HydrophobicContact CG-CG2 4.46Å; K81-V197 PolarHBondContact NZ-O 3.43Å; K81-K198 PolarHBondContact NZ-O 2.92Å; K81-I200 WeakPolarHBondContact CD-O 3.31Å; K81-I200 WeakPolarHBondContact CE-O 3.22Å; K81-I200 PolarHBondContact NZ-O 2.9Å; K81-D205 WeakPolarHBondContact CB-OD1 3.28Å; K81-D205 PolarHBondContact N-OD1 3.47Å; K81-D205 PolarHBondContact N-OD2 2.82Å |
| 82 | R | 95.5 | Very high | 96.1 | Very high | 61 Ų | 61 | 29 Ų | 29 | 23% | 0.23 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.1 | -35.4 | 178.8 | -70.8 | 155.2 | 177 | 166.3 | 9.3 | 111.6 | L78 G79 T80 V85 L86 P204 R207 M209 | L78-R82 HydrophobicContact CB-CB 4.29Å; L78-R82 WeakPolarHBondContact O-CD 3.45Å; L78-R82 PolarHBondContact O-NH1 3.25Å; G79-R82 PolarHBondContact O-N 3.26Å; T80-R82 PolarHBondContact O-N 3.35Å; R82-V85 PolarHBondContact O-N 3.44Å; R82-L86 PolarHBondContact O-N 3.12Å; R82-P204 PolarHBondContact NH1-O 2.82Å; R82-R207 PolarHBondContact NH1-O 3.03Å; R82-R207 PolarHBondContact NH2-O 3.23Å; R82-M209 HydrophobicContact CG-CE 3.84Å |
| 83 | T | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.5 | -35.1 | 179.5 | -49.4 | 0 | 0 | 0 | 0 | 111.6 | V73 G74 G79 T80 L86 G87 L121 N125 | V73-T83 HydrophobicContact CB-CG2 4.28Å; V73-T83 HydrophobicContact CG1-CG2 3.88Å; G74-T83 WeakPolarHBondContact CA-OG1 3.33Å; G79-T83 WeakPolarHBondContact O-CB 3.31Å; G79-T83 PolarHBondContact O-N 2.98Å; G79-T83 PolarHBondContact O-OG1 3.09Å; T80-T83 PolarHBondContact O-N 2.87Å; T83-L86 PolarHBondContact O-N 3.33Å; T83-G87 PolarHBondContact O-N 3.26Å; T83-L121 HydrophobicContact CG2-CB 4.31Å; T83-L121 HydrophobicContact CG2-CD2 4.11Å; T83-L121 WeakPolarHBondContact CG2-O 3.42Å; T83-N125 WeakPolarHBondContact CG2-ND2 3.31Å |
| 84 | I | 96.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.5 | -51 | 169.2 | -69.8 | 165.9 | 0 | 0 | 0 | 110.7 | V22 T80 L86 G87 A88 F122 N125 P126 L129 | V22-I84 HydrophobicContact CG1-CG2 4.29Å; T80-I84 VanDerWaalsContact O-CG1 3.25Å; T80-I84 WeakPolarHBondContact O-CG1 3.39Å; T80-I84 PolarHBondContact O-N 2.81Å; I84-L86 PolarHBondContact O-N 2.8Å; I84-G87 PolarHBondContact O-N 3.26Å; I84-A88 WeakPolarHBondContact O-CB 3.33Å; I84-A88 PolarHBondContact O-N 2.93Å; I84-F122 HydrophobicContact CG2-CD2 4.24Å; I84-F122 HydrophobicContact CG2-CE2 3.81Å; I84-F122 WeakPolarHBondContact O-CD2 3.41Å; I84-N125 HydrophobicContact CD1-CB 4.31Å; I84-N125 HydrophobicContact CG1-CB 3.59Å; I84-P126 HydrophobicContact CD1-CG 4.3Å; I84-P126 HydrophobicContact CG1-CG 4.14Å; I84-L129 HydrophobicContact CD1-CB 4.29Å; I84-L129 HydrophobicContact CD1-CD2 3.78Å |
| 85 | V | 96.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 26.2 Ų | 26.2 | 22% | 0.224 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.1 | -48.6 | -180 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | K81 R82 A88 L89 L187 Y190 | K81-V85 WeakPolarHBondContact O-CG2 3.34Å; K81-V85 PolarHBondContact O-N 3.3Å; R82-V85 PolarHBondContact O-N 3.44Å; V85-A88 PolarHBondContact O-N 3.33Å; V85-L89 HydrophobicContact CG1-CD1 4.06Å; V85-L89 WeakPolarHBondContact O-CG 3.39Å; V85-L89 PolarHBondContact O-N 3.15Å; V85-L187 HydrophobicContact CB-CD1 4.12Å; V85-L187 HydrophobicContact CG1-CD1 4.04Å; V85-L187 HydrophobicContact CG1-CD2 4.45Å; V85-L187 HydrophobicContact CG2-CD1 3.88Å; V85-Y190 HydrophobicContact CG2-CD1 3.9Å; V85-Y190 HydrophobicContact CG2-CE1 3.5Å; V85-Y190 VanDerWaalsContact CG2-CE1 3.5Å |
| 86 | L | 97.2 | Very high | 96.7 | Very high | 23 Ų | 23 | 27 Ų | 27 | 12% | 0.12 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 179.9 | -179.7 | 62.3 | 0 | 0 | 0 | 111.7 | L78 R82 T83 I84 A88 L89 V90 L121 V217 L218 | L78-L86 HydrophobicContact CD1-CD2 3.96Å; R82-L86 PolarHBondContact O-N 3.12Å; T83-L86 PolarHBondContact O-N 3.33Å; I84-L86 PolarHBondContact O-N 2.8Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-A88 PolarHBondContact O-N 2.71Å; L86-L89 PolarHBondContact O-N 3Å; L86-V90 HydrophobicContact CD1-CG2 4.19Å; L86-V90 HydrophobicContact CG-CG2 4.49Å; L86-V90 VanDerWaalsContact O-CG2 3.32Å; L86-V90 WeakPolarHBondContact O-CG2 3.45Å; L86-V90 PolarHBondContact O-N 2.85Å; L86-L121 HydrophobicContact CD2-CD1 4.13Å; L86-L121 HydrophobicContact CG-CD1 4.12Å; L86-V217 HydrophobicContact CD2-CG1 3.6Å; L86-L218 HydrophobicContact CD1-CD2 3.71Å |
| 87 | G | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T83 I84 V90 L91 | T83-G87 PolarHBondContact O-N 3.26Å; I84-G87 PolarHBondContact O-N 3.26Å; G87-V90 PolarHBondContact O-N 2.7Å; G87-L91 WeakPolarHBondContact O-CB 3.37Å; G87-L91 WeakPolarHBondContact O-CG 3.38Å; G87-L91 PolarHBondContact O-N 3.29Å |
| 88 | A | 97.3 | Very high | 97 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 3% | 0.033 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I84 V85 L86 L91 A92 F122 L183 L187 | I84-A88 WeakPolarHBondContact O-CB 3.33Å; I84-A88 PolarHBondContact O-N 2.93Å; V85-A88 PolarHBondContact O-N 3.33Å; L86-A88 VanDerWaalsContact C-N 3.34Å; L86-A88 PolarHBondContact O-N 2.71Å; A88-L91 PolarHBondContact O-N 3.42Å; A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 3.35Å; A88-F122 HydrophobicContact CB-CD2 3.97Å; A88-F122 HydrophobicContact CB-CE2 3.99Å; A88-L183 HydrophobicContact CB-CD1 4.15Å; A88-L183 HydrophobicContact CB-CD2 4.46Å; A88-L183 HydrophobicContact CB-CG 4.24Å; A88-L183 VanDerWaalsContact O-CD2 3.27Å; A88-L183 WeakPolarHBondContact O-CD2 3.32Å; A88-L187 HydrophobicContact CB-CD1 4.44Å |
| 89 | L | 97.6 | Very high | 97 | Very high | 72 Ų | 72 | 21.1 Ų | 21.1 | 38% | 0.377 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -64 | -46.4 | 175.6 | -73.1 | 171.4 | 0 | 0 | 0 | 111.7 | V85 L86 A92 I93 I184 L187 | V85-L89 HydrophobicContact CG1-CD1 4.06Å; V85-L89 WeakPolarHBondContact O-CG 3.39Å; V85-L89 PolarHBondContact O-N 3.15Å; L86-L89 PolarHBondContact O-N 3Å; L89-A92 PolarHBondContact O-N 3.36Å; L89-I93 VanDerWaalsContact O-CG1 3.29Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 2.95Å; L89-I184 HydrophobicContact CD2-CD1 4.25Å; L89-L187 HydrophobicContact CD1-CD2 4.4Å; L89-L187 HydrophobicContact CD2-CD2 3.46Å; L89-L187 VanDerWaalsContact CD2-CD2 3.46Å; L89-L187 HydrophobicContact CG-CD2 3.61Å |
| 90 | V | 98.1 | Very high | 96.9 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 10% | 0.097 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 178.2 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | L86 G87 A92 I93 G94 T114 V117 | L86-V90 HydrophobicContact CD1-CG2 4.19Å; L86-V90 HydrophobicContact CG-CG2 4.49Å; L86-V90 VanDerWaalsContact O-CG2 3.32Å; L86-V90 WeakPolarHBondContact O-CG2 3.45Å; L86-V90 PolarHBondContact O-N 2.85Å; G87-V90 PolarHBondContact O-N 2.7Å; V90-A92 PolarHBondContact O-N 3.14Å; V90-I93 PolarHBondContact O-N 3.21Å; V90-G94 PolarHBondContact O-N 3.46Å; V90-T114 HydrophobicContact CG1-CG2 3.81Å; V90-T114 WeakPolarHBondContact CG1-O 3.39Å; V90-T114 VanDerWaalsContact O-CG2 3.31Å; V90-T114 WeakPolarHBondContact O-CG2 3.37Å; V90-V117 HydrophobicContact CG1-CG1 4.46Å |
| 91 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 173.7 | -81.7 | 171.2 | 0 | 0 | 0 | 112.5 | E26 G87 A88 I93 G94 Y95 I115 G118 N119 F122 L183 | E26-L91 HydrophobicContact CG-CD1 3.85Å; G87-L91 WeakPolarHBondContact O-CB 3.37Å; G87-L91 WeakPolarHBondContact O-CG 3.38Å; G87-L91 PolarHBondContact O-N 3.29Å; A88-L91 PolarHBondContact O-N 3.42Å; L91-I93 VanDerWaalsContact C-N 3.31Å; L91-I93 PolarHBondContact O-N 3.28Å; L91-G94 WeakPolarHBondContact O-CA 3.22Å; L91-G94 PolarHBondContact O-N 2.94Å; L91-G94 VanDerWaalsContact O-N 3.08Å; L91-Y95 HydrophobicContact CB-CE2 4.45Å; L91-Y95 HydrophobicContact CD2-CE1 4.42Å; L91-Y95 PolarHBondContact O-N 3.25Å; L91-I115 HydrophobicContact CD2-CG2 3.93Å; L91-I115 WeakPolarHBondContact CD2-O 3.31Å; L91-G118 VanDerWaalsContact CG-C 3.49Å; L91-N119 HydrophobicContact CD2-CB 4.02Å; L91-F122 HydrophobicContact CD1-CB 3.89Å; L91-F122 HydrophobicContact CD1-CG 4.17Å; L91-L183 HydrophobicContact CB-CD2 3.4Å; L91-L183 VanDerWaalsContact CB-CD2 3.4Å; L91-L183 HydrophobicContact CD1-CD2 4.14Å; L91-L183 HydrophobicContact CG-CD2 4.41Å |
| 92 | A | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A88 L89 V90 G94 Y95 F96 L183 I184 | A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 3.35Å; L89-A92 PolarHBondContact O-N 3.36Å; V90-A92 PolarHBondContact O-N 3.14Å; A92-G94 VanDerWaalsContact C-N 3.33Å; A92-G94 PolarHBondContact O-N 3.49Å; A92-Y95 PolarHBondContact O-N 3.45Å; A92-F96 HydrophobicContact CB-CE2 4.16Å; A92-F96 WeakPolarHBondContact O-CD2 3.39Å; A92-F96 WeakPolarHBondContact O-CG 3.19Å; A92-F96 PolarHBondContact O-N 3.17Å; A92-L183 HydrophobicContact CB-CD2 4.31Å; A92-I184 HydrophobicContact CB-CD1 3.65Å; A92-I184 HydrophobicContact CB-CG1 4.03Å |
| 93 | I | 97.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 32 Ų | 32 | 46% | 0.462 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.6 | -47.1 | 172.9 | -67 | 165.2 | 0 | 0 | 0 | 110.3 | L89 V90 L91 Y95 F96 M97 T114 | L89-I93 VanDerWaalsContact O-CG1 3.29Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 2.95Å; V90-I93 PolarHBondContact O-N 3.21Å; L91-I93 VanDerWaalsContact C-N 3.31Å; L91-I93 PolarHBondContact O-N 3.28Å; I93-Y95 VanDerWaalsContact C-N 3.33Å; I93-Y95 PolarHBondContact O-N 3.09Å; I93-F96 PolarHBondContact O-N 3.07Å; I93-M97 HydrophobicContact CG2-CG 4.18Å; I93-M97 HydrophobicContact CG2-SD 3.68Å; I93-M97 WeakPolarHBondContact O-CB 3.21Å; I93-M97 WeakPolarHBondContact O-CG 3.41Å; I93-M97 PolarHBondContact O-N 3.44Å; I93-T114 HydrophobicContact CB-CG2 4.38Å; I93-T114 HydrophobicContact CG2-CG2 4.15Å |
| 94 | G | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.6 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | V90 L91 A92 M97 T98 | V90-G94 PolarHBondContact O-N 3.46Å; L91-G94 WeakPolarHBondContact O-CA 3.22Å; L91-G94 PolarHBondContact O-N 2.94Å; L91-G94 VanDerWaalsContact O-N 3.08Å; A92-G94 VanDerWaalsContact C-N 3.33Å; A92-G94 PolarHBondContact O-N 3.49Å; G94-M97 PolarHBondContact O-N 2.92Å; G94-T98 PolarHBondContact O-N 3.08Å; G94-T98 PolarHBondContact O-OG1 3.48Å |
| 95 | Y | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 175.7 | -59.5 | -22.5 | 0 | 0 | 0 | 112 | Y30 V33 L91 A92 I93 M97 T98 G99 I115 C179 L183 | Y30-Y95 WeakPolarHBondContact CA-OH 3.43Å; Y30-Y95 PolarHBondContact N-OH 3.27Å; V33-Y95 HydrophobicContact CB-CD1 4.26Å; V33-Y95 HydrophobicContact CB-CE1 4.15Å; V33-Y95 HydrophobicContact CG1-CD1 4.43Å; V33-Y95 HydrophobicContact CG1-CE1 4.48Å; V33-Y95 HydrophobicContact CG2-CD1 3.34Å; V33-Y95 HydrophobicContact CG2-CD2 4.45Å; V33-Y95 HydrophobicContact CG2-CE1 3.6Å; V33-Y95 HydrophobicContact CG2-CG 3.83Å; L91-Y95 HydrophobicContact CB-CE2 4.45Å; L91-Y95 HydrophobicContact CD2-CE1 4.42Å; L91-Y95 PolarHBondContact O-N 3.25Å; A92-Y95 PolarHBondContact O-N 3.45Å; I93-Y95 VanDerWaalsContact C-N 3.33Å; I93-Y95 PolarHBondContact O-N 3.09Å; Y95-M97 PolarHBondContact O-N 3.37Å; Y95-T98 WeakPolarHBondContact O-CB 3.44Å; Y95-T98 PolarHBondContact O-N 2.91Å; Y95-G99 PolarHBondContact O-N 3.45Å; Y95-I115 HydrophobicContact CD1-CD1 3.7Å; Y95-I115 HydrophobicContact CD1-CG1 3.82Å; Y95-I115 HydrophobicContact CE1-CD1 3.96Å; Y95-I115 HydrophobicContact CE1-CG1 3.9Å; Y95-I115 HydrophobicContact CE1-CG2 3.97Å; Y95-C179 HydrophobicContact CD2-CB 4.09Å; Y95-C179 HydrophobicContact CG-CB 4.4Å; Y95-L183 HydrophobicContact CE2-CD2 4.01Å |
| 96 | F | 97.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 47 Ų | 47 | 31% | 0.307 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62 | -42.4 | 174.6 | -62.7 | -49.2 | 0 | 0 | 0 | 112.1 | A92 I93 T98 G99 M100 N177 I184 | A92-F96 HydrophobicContact CB-CE2 4.16Å; A92-F96 WeakPolarHBondContact O-CD2 3.39Å; A92-F96 WeakPolarHBondContact O-CG 3.19Å; A92-F96 PolarHBondContact O-N 3.17Å; I93-F96 PolarHBondContact O-N 3.07Å; F96-T98 VanDerWaalsContact C-N 3.28Å; F96-T98 PolarHBondContact O-N 3.4Å; F96-G99 CarbonylContact O-C 3.59Å; F96-G99 PolarHBondContact O-N 2.93Å; F96-G99 VanDerWaalsContact O-N 3.14Å; F96-M100 WeakPolarHBondContact O-CG 3.33Å; F96-M100 PolarHBondContact O-N 3.41Å; F96-N177 HydrophobicContact CD1-CB 4.41Å; F96-N177 HydrophobicContact CE1-CB 4.48Å; F96-N177 WeakPolarHBondContact CE1-O 3.29Å; F96-I184 HydrophobicContact CE2-CG1 4.36Å; F96-I184 HydrophobicContact CZ-CG1 4.4Å |
| 97 | M | 97.3 | Very high | 95.5 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 16% | 0.163 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -37 | 175.2 | -70.2 | 173.4 | 75 | 0 | 0 | 112 | I93 G94 Y95 M100 S101 L107 I110 A111 T114 | I93-M97 HydrophobicContact CG2-CG 4.18Å; I93-M97 HydrophobicContact CG2-SD 3.68Å; I93-M97 WeakPolarHBondContact O-CB 3.21Å; I93-M97 WeakPolarHBondContact O-CG 3.41Å; I93-M97 PolarHBondContact O-N 3.44Å; G94-M97 PolarHBondContact O-N 2.92Å; Y95-M97 PolarHBondContact O-N 3.37Å; M97-M100 PolarHBondContact O-N 2.94Å; M97-S101 PolarHBondContact O-N 3.05Å; M97-L107 HydrophobicContact CB-CD2 4.19Å; M97-L107 HydrophobicContact CB-CG 4.43Å; M97-L107 HydrophobicContact CE-CD1 3.63Å; M97-L107 HydrophobicContact CE-CG 4.21Å; M97-L107 WeakPolarHBondContact O-CD2 3.47Å; M97-I110 HydrophobicContact CE-CB 4.04Å; M97-I110 HydrophobicContact CE-CG2 3.55Å; M97-A111 HydrophobicContact CB-CB 3.57Å; M97-T114 HydrophobicContact SD-CG2 4.31Å |
| 98 | T | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.4 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | L37 F40 G94 Y95 F96 M100 S101 I108 I115 Y176 | L37-T98 HydrophobicContact CD1-CG2 4.46Å; F40-T98 HydrophobicContact CE1-CG2 4.36Å; G94-T98 PolarHBondContact O-N 3.08Å; G94-T98 PolarHBondContact O-OG1 3.48Å; Y95-T98 WeakPolarHBondContact O-CB 3.44Å; Y95-T98 PolarHBondContact O-N 2.91Å; F96-T98 VanDerWaalsContact C-N 3.28Å; F96-T98 PolarHBondContact O-N 3.4Å; T98-M100 VanDerWaalsContact C-N 3.28Å; T98-M100 PolarHBondContact O-N 3.25Å; T98-S101 WeakPolarHBondContact O-CB 3.49Å; T98-S101 PolarHBondContact O-N 2.97Å; T98-S101 VanDerWaalsContact O-N 3.12Å; T98-S101 PolarHBondContact O-OG 3.45Å; T98-I108 HydrophobicContact CG2-CD1 4.01Å; T98-I115 WeakPolarHBondContact OG1-CD1 3.37Å; T98-Y176 HydrophobicContact CG2-CD1 3.98Å; T98-Y176 HydrophobicContact CG2-CD2 3.79Å; T98-Y176 HydrophobicContact CG2-CE1 3.88Å; T98-Y176 HydrophobicContact CG2-CE2 3.68Å; T98-Y176 HydrophobicContact CG2-CG 3.94Å |
| 99 | G | 95.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -30.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y95 F96 L102 S173 | Y95-G99 PolarHBondContact O-N 3.45Å; F96-G99 CarbonylContact O-C 3.59Å; F96-G99 PolarHBondContact O-N 2.93Å; F96-G99 VanDerWaalsContact O-N 3.14Å; G99-L102 WeakPolarHBondContact O-CD1 3.36Å; G99-S173 PolarHBondContact O-OG 3.31Å |
| 100 | M | 94.6 | Very high | 95.4 | Very high | 109 Ų | 109 | 48.3 Ų | 48.3 | 54% | 0.537 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -78.4 | -19.2 | 175 | -69.1 | 176 | 68.7 | 0 | 0 | 113.6 | F96 M97 T98 L102 L103 K104 L107 | F96-M100 WeakPolarHBondContact O-CG 3.33Å; F96-M100 PolarHBondContact O-N 3.41Å; M97-M100 PolarHBondContact O-N 2.94Å; T98-M100 VanDerWaalsContact C-N 3.28Å; T98-M100 PolarHBondContact O-N 3.25Å; M100-L102 PolarHBondContact O-N 2.9Å; M100-L103 PolarHBondContact O-N 3.44Å; M100-K104 PolarHBondContact O-N 3.33Å; M100-L107 HydrophobicContact CB-CD2 3.78Å |
| 101 | S | 93.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.7 | -179 | 72.2 | 0 | 0 | 0 | 0 | 113.4 | F40 M97 T98 L103 K104 P105 | F40-S101 WeakPolarHBondContact CE1-OG 3.45Å; F40-S101 VanDerWaalsContact CZ-OG 3.27Å; F40-S101 WeakPolarHBondContact CZ-OG 3.25Å; M97-S101 PolarHBondContact O-N 3.05Å; T98-S101 WeakPolarHBondContact O-CB 3.49Å; T98-S101 PolarHBondContact O-N 2.97Å; T98-S101 VanDerWaalsContact O-N 3.12Å; T98-S101 PolarHBondContact O-OG 3.45Å; S101-L103 PolarHBondContact O-N 2.87Å; S101-K104 WeakPolarHBondContact CA-O 3.02Å; S101-K104 CarbonylContact O-C 3.46Å; S101-K104 PolarHBondContact O-N 2.93Å; S101-P105 VanDerWaalsContact O-CA 3.28Å; S101-P105 WeakPolarHBondContact O-CA 3.31Å; S101-P105 VanDerWaalsContact O-N 3.08Å |
| 102 | L | 90.5 | Very high | 95.4 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.3 | 168.8 | -78.1 | 87.7 | 0 | 0 | 0 | 112.6 | F40 G99 M100 | F40-L102 HydrophobicContact CE2-CD1 3.37Å; F40-L102 HydrophobicContact CE2-CG 3.74Å; F40-L102 HydrophobicContact CZ-CD1 3.62Å; F40-L102 HydrophobicContact CZ-CG 4.14Å; G99-L102 WeakPolarHBondContact O-CD1 3.36Å; M100-L102 PolarHBondContact O-N 2.9Å |
| 103 | L | 91.6 | Very high | 95.4 | Very high | 153 Ų | 153 | 47.5 Ų | 47.5 | 80% | 0.801 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -26.1 | 178.6 | -60.7 | 176.5 | 0 | 0 | 0 | 112.3 | M100 S101 | M100-L103 PolarHBondContact O-N 3.44Å; S101-L103 PolarHBondContact O-N 2.87Å |
| 104 | K | 92.1 | Very high | 95.4 | Very high | 149 Ų | 149 | 43.5 Ų | 43.5 | 65% | 0.648 | 22% | 0.22 | S | C | * | . | trans | -140.8 | 85.8 | -178.3 | -65.1 | -174 | -178.5 | -177.5 | 0 | 109.2 | M100 S101 D106 L107 | M100-K104 PolarHBondContact O-N 3.33Å; S101-K104 WeakPolarHBondContact CA-O 3.02Å; S101-K104 CarbonylContact O-C 3.46Å; S101-K104 PolarHBondContact O-N 2.93Å; K104-D106 PolarHBondContact O-N 3.43Å; K104-D106 VanDerWaalsContact O-N 3.11Å; K104-L107 HydrophobicContact CB-CB 4.42Å; K104-L107 WeakPolarHBondContact O-CB 3.35Å; K104-L107 PolarHBondContact O-N 2.91Å | ||
| 105 | P | 89.9 | Confident | 95.4 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 40% | 0.403 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35.5 | -176.1 | -31.7 | 38 | 0 | 0 | 0 | 113.9 | L45 S101 L107 I108 | L45-P105 HydrophobicContact CD2-CB 4.15Å; L45-P105 HydrophobicContact CD2-CG 4.38Å; S101-P105 VanDerWaalsContact O-CA 3.28Å; S101-P105 WeakPolarHBondContact O-CA 3.31Å; S101-P105 VanDerWaalsContact O-N 3.08Å; P105-L107 PolarHBondContact O-N 3.48Å; P105-I108 WeakPolarHBondContact O-CB 3.4Å; P105-I108 WeakPolarHBondContact O-CG2 3.41Å; P105-I108 PolarHBondContact O-N 3.06Å |
| 106 | D | 89.2 | Confident | 95.4 | Very high | 145 Ų | 145 | 43.5 Ų | 43.5 | 78% | 0.775 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.7 | 177.7 | -57.9 | -25.2 | 0 | 0 | 0 | 114.1 | K104 I108 | K104-D106 PolarHBondContact O-N 3.43Å; K104-D106 VanDerWaalsContact O-N 3.11Å; D106-I108 PolarHBondContact O-N 3.34Å |
| 107 | L | 94.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.7 | -20.1 | 178.5 | -168.5 | 63.4 | 0 | 0 | 0 | 112.5 | M97 M100 K104 P105 F109 I110 A111 | M97-L107 HydrophobicContact CB-CD2 4.19Å; M97-L107 HydrophobicContact CB-CG 4.43Å; M97-L107 HydrophobicContact CE-CD1 3.63Å; M97-L107 HydrophobicContact CE-CG 4.21Å; M97-L107 WeakPolarHBondContact O-CD2 3.47Å; M100-L107 HydrophobicContact CB-CD2 3.78Å; K104-L107 HydrophobicContact CB-CB 4.42Å; K104-L107 WeakPolarHBondContact O-CB 3.35Å; K104-L107 PolarHBondContact O-N 2.91Å; P105-L107 PolarHBondContact O-N 3.48Å; L107-F109 PolarHBondContact O-N 2.88Å; L107-I110 HydrophobicContact CD1-CB 4.45Å; L107-I110 PolarHBondContact O-N 3.39Å; L107-I110 VanDerWaalsContact O-N 3.14Å; L107-A111 WeakPolarHBondContact O-CB 3.19Å; L107-A111 PolarHBondContact O-N 3.35Å |
| 108 | I | 96.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | -169.2 | -169.3 | 55.2 | 0 | 0 | 0 | 112.7 | F40 F41 L45 F47 T98 P105 D106 I110 A111 L112 | F40-I108 HydrophobicContact CE1-CD1 4.01Å; F41-I108 HydrophobicContact CD1-CG1 4.32Å; F41-I108 HydrophobicContact CE1-CD1 3.98Å; F41-I108 HydrophobicContact CE1-CG1 3.69Å; L45-I108 HydrophobicContact CD1-CB 3.76Å; L45-I108 HydrophobicContact CD1-CD1 4.21Å; L45-I108 HydrophobicContact CD1-CG1 3.64Å; L45-I108 HydrophobicContact CD1-CG2 3.97Å; F47-I108 HydrophobicContact CZ-CG2 4.24Å; T98-I108 HydrophobicContact CG2-CD1 4.01Å; P105-I108 WeakPolarHBondContact O-CB 3.4Å; P105-I108 WeakPolarHBondContact O-CG2 3.41Å; P105-I108 PolarHBondContact O-N 3.06Å; D106-I108 PolarHBondContact O-N 3.34Å; I108-I110 VanDerWaalsContact C-N 3.33Å; I108-I110 PolarHBondContact O-N 3.21Å; I108-A111 WeakPolarHBondContact O-CB 3.5Å; I108-A111 PolarHBondContact O-N 3.33Å; I108-L112 HydrophobicContact CD1-CG 4.21Å; I108-L112 HydrophobicContact CG1-CD1 4.14Å; I108-L112 HydrophobicContact CG1-CG 4.27Å; I108-L112 WeakPolarHBondContact O-CB 2.97Å; I108-L112 VanDerWaalsContact O-CG 3.26Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.36Å |
| 109 | F | 96.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 39 Ų | 39 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.8 | -34.6 | -179.3 | -66.1 | -73.2 | 0 | 0 | 0 | 112.4 | F47 T55 L107 G113 A229 M232 | F47-F109 HydrophobicContact CE2-CZ 4.23Å; F47-F109 HydrophobicContact CZ-CE2 4.23Å; F47-F109 HydrophobicContact CZ-CZ 4.03Å; T55-F109 HydrophobicContact CG2-CD1 4.46Å; T55-F109 HydrophobicContact CG2-CE1 3.74Å; T55-F109 HydrophobicContact CG2-CZ 4.49Å; L107-F109 PolarHBondContact O-N 2.88Å; F109-G113 PolarHBondContact O-N 3.13Å; F109-A229 HydrophobicContact CB-CB 4.16Å; F109-A229 WeakPolarHBondContact O-CB 3.28Å; F109-M232 HydrophobicContact CB-CE 4.43Å; F109-M232 HydrophobicContact CD1-CB 3.6Å; F109-M232 HydrophobicContact CD1-CE 4.38Å; F109-M232 HydrophobicContact CD1-SD 4.43Å; F109-M232 HydrophobicContact CE1-CB 4.01Å; F109-M232 WeakPolarHBondContact O-CE 3.33Å |
| 110 | I | 97.9 | Very high | 95.5 | Very high | 52 Ų | 52 | 39 Ų | 39 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.8 | -39.9 | 173.7 | -51.4 | 179.8 | 0 | 0 | 0 | 109.8 | M97 L107 I108 G113 T114 I225 F226 A229 | M97-I110 HydrophobicContact CE-CB 4.04Å; M97-I110 HydrophobicContact CE-CG2 3.55Å; L107-I110 HydrophobicContact CD1-CB 4.45Å; L107-I110 PolarHBondContact O-N 3.39Å; L107-I110 VanDerWaalsContact O-N 3.14Å; I108-I110 VanDerWaalsContact C-N 3.33Å; I108-I110 PolarHBondContact O-N 3.21Å; I110-G113 PolarHBondContact O-N 3.21Å; I110-T114 WeakPolarHBondContact O-CB 3.44Å; I110-T114 PolarHBondContact O-N 3.25Å; I110-T114 PolarHBondContact O-OG1 3.47Å; I110-I225 HydrophobicContact CG2-CG2 3.85Å; I110-F226 HydrophobicContact CD1-CE1 4.27Å; I110-A229 HydrophobicContact CG1-CB 4.37Å |
| 111 | A | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M97 L107 I108 G113 T114 I115 | M97-A111 HydrophobicContact CB-CB 3.57Å; L107-A111 WeakPolarHBondContact O-CB 3.19Å; L107-A111 PolarHBondContact O-N 3.35Å; I108-A111 WeakPolarHBondContact O-CB 3.5Å; I108-A111 PolarHBondContact O-N 3.33Å; A111-G113 PolarHBondContact O-N 3.42Å; A111-T114 WeakPolarHBondContact O-CB 3.28Å; A111-T114 PolarHBondContact O-N 2.85Å; A111-I115 WeakPolarHBondContact O-CG1 3.48Å; A111-I115 PolarHBondContact O-N 2.96Å |
| 112 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.2 | -66.7 | 177.9 | 0 | 0 | 0 | 112.2 | L37 F41 T55 F59 I108 T114 I115 A116 M232 | L37-L112 HydrophobicContact CD1-CD2 4.16Å; L37-L112 HydrophobicContact CD2-CD2 3.78Å; F41-L112 HydrophobicContact CE1-CD1 4.12Å; F41-L112 HydrophobicContact CZ-CD1 3.67Å; F41-L112 HydrophobicContact CZ-CD2 4.38Å; T55-L112 HydrophobicContact CG2-CD1 3.99Å; F59-L112 HydrophobicContact CB-CD1 4.4Å; F59-L112 HydrophobicContact CD1-CD2 4.26Å; F59-L112 HydrophobicContact CD2-CB 3.83Å; F59-L112 HydrophobicContact CD2-CD2 3.94Å; F59-L112 HydrophobicContact CD2-CG 4.36Å; F59-L112 HydrophobicContact CE1-CD2 4.36Å; F59-L112 HydrophobicContact CE2-CB 4.31Å; F59-L112 HydrophobicContact CE2-CD2 4.07Å; F59-L112 WeakPolarHBondContact CE2-O 3.43Å; F59-L112 HydrophobicContact CG-CB 4.41Å; F59-L112 HydrophobicContact CG-CD2 4.04Å; F59-L112 HydrophobicContact CZ-CD2 4.28Å; I108-L112 HydrophobicContact CD1-CG 4.21Å; I108-L112 HydrophobicContact CG1-CD1 4.14Å; I108-L112 HydrophobicContact CG1-CG 4.27Å; I108-L112 WeakPolarHBondContact O-CB 2.97Å; I108-L112 VanDerWaalsContact O-CG 3.26Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.36Å; L112-T114 VanDerWaalsContact C-N 3.3Å; L112-T114 PolarHBondContact O-N 2.91Å; L112-I115 HydrophobicContact CD2-CD1 4.49Å; L112-I115 PolarHBondContact O-N 3.38Å; L112-A116 WeakPolarHBondContact O-CB 3.29Å; L112-A116 PolarHBondContact O-N 3.21Å; L112-M232 HydrophobicContact CB-CE 3.63Å; L112-M232 HydrophobicContact CB-SD 3.83Å; L112-M232 HydrophobicContact CD1-SD 4.03Å |
| 113 | G | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | F109 I110 A111 A116 V117 | F109-G113 PolarHBondContact O-N 3.13Å; I110-G113 PolarHBondContact O-N 3.21Å; A111-G113 PolarHBondContact O-N 3.42Å; G113-A116 PolarHBondContact O-N 3.43Å; G113-V117 WeakPolarHBondContact O-CG2 3.35Å; G113-V117 PolarHBondContact O-N 2.98Å |
| 114 | T | 98.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -45.2 | 173.4 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | V90 I93 M97 I110 A111 L112 V117 G118 I225 | V90-T114 HydrophobicContact CG1-CG2 3.81Å; V90-T114 WeakPolarHBondContact CG1-O 3.39Å; V90-T114 VanDerWaalsContact O-CG2 3.31Å; V90-T114 WeakPolarHBondContact O-CG2 3.37Å; I93-T114 HydrophobicContact CB-CG2 4.38Å; I93-T114 HydrophobicContact CG2-CG2 4.15Å; M97-T114 HydrophobicContact SD-CG2 4.31Å; I110-T114 WeakPolarHBondContact O-CB 3.44Å; I110-T114 PolarHBondContact O-N 3.25Å; I110-T114 PolarHBondContact O-OG1 3.47Å; A111-T114 WeakPolarHBondContact O-CB 3.28Å; A111-T114 PolarHBondContact O-N 2.85Å; L112-T114 VanDerWaalsContact C-N 3.3Å; L112-T114 PolarHBondContact O-N 2.91Å; T114-V117 PolarHBondContact O-N 3.44Å; T114-G118 PolarHBondContact O-N 3.26Å; T114-I225 HydrophobicContact CG2-CD1 4.04Å; T114-I225 WeakPolarHBondContact OG1-CG2 3.35Å |
| 115 | I | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 175.9 | -64.2 | 166 | 0 | 0 | 0 | 111.1 | V33 F59 L91 Y95 T98 A111 L112 V117 G118 N119 | V33-I115 HydrophobicContact CG1-CD1 4.18Å; F59-I115 HydrophobicContact CE2-CB 3.94Å; F59-I115 HydrophobicContact CE2-CG2 3.79Å; F59-I115 HydrophobicContact CZ-CB 4.22Å; F59-I115 HydrophobicContact CZ-CG2 3.65Å; L91-I115 HydrophobicContact CD2-CG2 3.93Å; L91-I115 WeakPolarHBondContact CD2-O 3.31Å; Y95-I115 HydrophobicContact CD1-CD1 3.7Å; Y95-I115 HydrophobicContact CD1-CG1 3.82Å; Y95-I115 HydrophobicContact CE1-CD1 3.96Å; Y95-I115 HydrophobicContact CE1-CG1 3.9Å; Y95-I115 HydrophobicContact CE1-CG2 3.97Å; T98-I115 WeakPolarHBondContact OG1-CD1 3.37Å; A111-I115 WeakPolarHBondContact O-CG1 3.48Å; A111-I115 PolarHBondContact O-N 2.96Å; L112-I115 HydrophobicContact CD2-CD1 4.49Å; L112-I115 PolarHBondContact O-N 3.38Å; I115-V117 PolarHBondContact O-N 3.33Å; I115-G118 PolarHBondContact O-N 3.02Å; I115-N119 VanDerWaalsContact O-CB 3.28Å; I115-N119 WeakPolarHBondContact O-CB 3.5Å; I115-N119 PolarHBondContact O-N 2.87Å |
| 116 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | F59 L62 V63 L66 L112 G113 N119 G120 | F59-A116 HydrophobicContact CE2-CB 4.47Å; L62-A116 HydrophobicContact CB-CB 4.01Å; V63-A116 HydrophobicContact CG2-CB 4.05Å; L66-A116 HydrophobicContact CD1-CB 4.14Å; L112-A116 WeakPolarHBondContact O-CB 3.29Å; L112-A116 PolarHBondContact O-N 3.21Å; G113-A116 PolarHBondContact O-N 3.43Å; A116-N119 PolarHBondContact O-N 3.43Å; A116-G120 PolarHBondContact O-N 3.39Å |
| 117 | V | 98.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 11.5 Ų | 11.5 | 6% | 0.055 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.2 | -45.5 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L66 V90 G113 T114 I115 N119 G120 L121 M224 I225 | L66-V117 HydrophobicContact CD1-CG2 3.99Å; V90-V117 HydrophobicContact CG1-CG1 4.46Å; G113-V117 WeakPolarHBondContact O-CG2 3.35Å; G113-V117 PolarHBondContact O-N 2.98Å; T114-V117 PolarHBondContact O-N 3.44Å; I115-V117 PolarHBondContact O-N 3.33Å; V117-N119 VanDerWaalsContact C-N 3.32Å; V117-N119 PolarHBondContact O-N 2.87Å; V117-G120 PolarHBondContact O-N 3.01Å; V117-L121 HydrophobicContact CG1-CD1 4.18Å; V117-L121 WeakPolarHBondContact O-CG 3.39Å; V117-L121 PolarHBondContact O-N 3.48Å; V117-M224 HydrophobicContact CG2-CB 3.69Å; V117-I225 HydrophobicContact CB-CG1 3.99Å; V117-I225 HydrophobicContact CG1-CG1 4.38Å; V117-I225 HydrophobicContact CG2-CG1 3.83Å |
| 118 | G | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L91 T114 I115 L121 F122 | L91-G118 VanDerWaalsContact CG-C 3.49Å; T114-G118 PolarHBondContact O-N 3.26Å; I115-G118 PolarHBondContact O-N 3.02Å; G118-L121 PolarHBondContact O-N 3.49Å; G118-F122 VanDerWaalsContact O-CB 3.32Å; G118-F122 WeakPolarHBondContact O-CB 3.06Å; G118-F122 PolarHBondContact O-N 3.35Å |
| 119 | N | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 177.4 | -162.5 | -94.7 | 0 | 0 | 0 | 111.3 | E26 Y30 V63 L91 I115 A116 V117 L121 F122 K123 | E26-N119 PolarHBondContact OE1-ND2 3.08Å; Y30-N119 WeakPolarHBondContact CD2-ND2 3.49Å; V63-N119 HydrophobicContact CG1-CB 4.06Å; V63-N119 VanDerWaalsContact CG1-OD1 3.27Å; V63-N119 WeakPolarHBondContact CG1-OD1 3.4Å; L91-N119 HydrophobicContact CD2-CB 4.02Å; I115-N119 VanDerWaalsContact O-CB 3.28Å; I115-N119 WeakPolarHBondContact O-CB 3.5Å; I115-N119 PolarHBondContact O-N 2.87Å; A116-N119 PolarHBondContact O-N 3.43Å; V117-N119 VanDerWaalsContact C-N 3.32Å; V117-N119 PolarHBondContact O-N 2.87Å; N119-L121 VanDerWaalsContact C-N 3.34Å; N119-L121 PolarHBondContact O-N 3.37Å; N119-F122 PolarHBondContact O-N 3.49Å; N119-K123 WeakPolarHBondContact O-CB 3.45Å; N119-K123 PolarHBondContact O-N 3.21Å; N119-K123 WeakPolarHBondContact OD1-CD 3.28Å |
| 120 | G | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -55.4 | -49 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G70 A116 V117 | G70-G120 VanDerWaalsContact CA-O 3.28Å; G70-G120 WeakPolarHBondContact CA-O 3.41Å; A116-G120 PolarHBondContact O-N 3.39Å; V117-G120 PolarHBondContact O-N 3.01Å |
| 121 | L | 97.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 8.7 Ų | 8.7 | 5% | 0.052 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 176 | -69 | 172 | 0 | 0 | 0 | 112.7 | V73 T83 L86 V117 G118 N119 N125 V217 | V73-L121 HydrophobicContact CB-CD2 4.32Å; V73-L121 HydrophobicContact CG1-CD2 4.19Å; V73-L121 HydrophobicContact CG2-CD2 4.33Å; T83-L121 HydrophobicContact CG2-CB 4.31Å; T83-L121 HydrophobicContact CG2-CD2 4.11Å; T83-L121 WeakPolarHBondContact CG2-O 3.42Å; L86-L121 HydrophobicContact CD2-CD1 4.13Å; L86-L121 HydrophobicContact CG-CD1 4.12Å; V117-L121 HydrophobicContact CG1-CD1 4.18Å; V117-L121 WeakPolarHBondContact O-CG 3.39Å; V117-L121 PolarHBondContact O-N 3.48Å; G118-L121 PolarHBondContact O-N 3.49Å; N119-L121 VanDerWaalsContact C-N 3.34Å; N119-L121 PolarHBondContact O-N 3.37Å; L121-N125 PolarHBondContact O-ND2 2.83Å; L121-V217 HydrophobicContact CD2-CG1 4.42Å |
| 122 | F | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -79.3 | -57.3 | -175.8 | -172.2 | -87.7 | 0 | 0 | 0 | 112.1 | V22 E26 I84 A88 L91 G118 N119 A124 N125 P126 | V22-F122 HydrophobicContact CG1-CE2 3.9Å; V22-F122 HydrophobicContact CG1-CZ 3.61Å; E26-F122 HydrophobicContact CB-CD1 4.26Å; E26-F122 HydrophobicContact CB-CE1 3.48Å; E26-F122 VanDerWaalsContact CB-CE1 3.48Å; E26-F122 HydrophobicContact CB-CE2 4.45Å; E26-F122 HydrophobicContact CB-CZ 3.56Å; E26-F122 HydrophobicContact CG-CD1 3.61Å; E26-F122 HydrophobicContact CG-CE1 3.36Å; E26-F122 HydrophobicContact CG-CE2 4.4Å; E26-F122 HydrophobicContact CG-CG 4.23Å; E26-F122 HydrophobicContact CG-CZ 3.76Å; I84-F122 HydrophobicContact CG2-CD2 4.24Å; I84-F122 HydrophobicContact CG2-CE2 3.81Å; I84-F122 WeakPolarHBondContact O-CD2 3.41Å; A88-F122 HydrophobicContact CB-CD2 3.97Å; A88-F122 HydrophobicContact CB-CE2 3.99Å; L91-F122 HydrophobicContact CD1-CB 3.89Å; L91-F122 HydrophobicContact CD1-CG 4.17Å; G118-F122 VanDerWaalsContact O-CB 3.32Å; G118-F122 WeakPolarHBondContact O-CB 3.06Å; G118-F122 PolarHBondContact O-N 3.35Å; N119-F122 PolarHBondContact O-N 3.49Å; F122-A124 PolarHBondContact O-N 3.02Å; F122-A124 VanDerWaalsContact O-N 3.09Å; F122-N125 WeakPolarHBondContact O-CB 3.33Å; F122-N125 PolarHBondContact O-N 2.89Å; F122-P126 HydrophobicContact CD1-CG 4.04Å; F122-P126 HydrophobicContact CE1-CG 3.58Å; F122-P126 HydrophobicContact CE2-CG 4.4Å; F122-P126 HydrophobicContact CZ-CG 3.81Å; F122-P126 WeakPolarHBondContact O-CD 3.32Å |
| 123 | K | 92.1 | Very high | 94.1 | Very high | 35 Ų | 35 | 12.9 Ų | 12.9 | 15% | 0.152 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -55.9 | -38.1 | -156.2 | -172 | 154.3 | 178.7 | 179.3 | 0 | 116 | Y64 I67 N119 | Y64-K123 VanDerWaalsContact CE1-NZ 3.27Å; I67-K123 HydrophobicContact CD1-CD 3.62Å; I67-K123 HydrophobicContact CD1-CG 4.15Å; I67-K123 HydrophobicContact CG1-CB 4.33Å; I67-K123 HydrophobicContact CG1-CD 4.13Å; I67-K123 HydrophobicContact CG1-CG 4.4Å; I67-K123 HydrophobicContact CG2-CB 4.49Å; N119-K123 WeakPolarHBondContact O-CB 3.45Å; N119-K123 PolarHBondContact O-N 3.21Å; N119-K123 WeakPolarHBondContact OD1-CD 3.28Å |
| 124 | A | 90.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 13.5 Ų | 13.5 | 21% | 0.207 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -75.7 | -23.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I67 F122 S128 | I67-A124 HydrophobicContact CG2-CB 3.99Å; F122-A124 PolarHBondContact O-N 3.02Å; F122-A124 VanDerWaalsContact O-N 3.09Å; A124-S128 VanDerWaalsContact O-CB 3.25Å; A124-S128 WeakPolarHBondContact O-CB 3.37Å; A124-S128 PolarHBondContact O-N 3.3Å; A124-S128 VanDerWaalsContact O-N 3.1Å |
| 125 | N | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -83.8 | -39.8 | -164 | -75.1 | -74.8 | 0 | 0 | 0 | 115.2 | G70 G74 T83 I84 L121 F122 A127 S128 L129 | G70-N125 PolarHBondContact O-ND2 3.42Å; G74-N125 WeakPolarHBondContact CA-OD1 3.38Å; T83-N125 WeakPolarHBondContact CG2-ND2 3.31Å; I84-N125 HydrophobicContact CD1-CB 4.31Å; I84-N125 HydrophobicContact CG1-CB 3.59Å; L121-N125 PolarHBondContact O-ND2 2.83Å; F122-N125 WeakPolarHBondContact O-CB 3.33Å; F122-N125 PolarHBondContact O-N 2.89Å; N125-A127 VanDerWaalsContact C-N 3.34Å; N125-A127 PolarHBondContact O-N 2.66Å; N125-S128 PolarHBondContact O-N 2.8Å; N125-L129 WeakPolarHBondContact O-CB 3.37Å; N125-L129 PolarHBondContact O-N 3.23Å |
| 126 | P | 93.6 | Very high | 92 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 171.4 | -27 | 34.6 | 0 | 0 | 0 | 112.3 | I19 I84 F122 L129 L130 F148 | I19-P126 HydrophobicContact CG2-CB 4.04Å; I84-P126 HydrophobicContact CD1-CG 4.3Å; I84-P126 HydrophobicContact CG1-CG 4.14Å; F122-P126 HydrophobicContact CD1-CG 4.04Å; F122-P126 HydrophobicContact CE1-CG 3.58Å; F122-P126 HydrophobicContact CE2-CG 4.4Å; F122-P126 HydrophobicContact CZ-CG 3.81Å; F122-P126 WeakPolarHBondContact O-CD 3.32Å; P126-L129 PolarHBondContact O-N 3.34Å; P126-L130 VanDerWaalsContact O-CB 3.29Å; P126-L130 WeakPolarHBondContact O-CB 3.48Å; P126-L130 PolarHBondContact O-N 2.92Å; P126-F148 HydrophobicContact CB-CE2 4.23Å; P126-F148 HydrophobicContact CB-CZ 4.15Å |
| 127 | A | 89.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 32.8 Ų | 32.8 | 24% | 0.24 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | N125 L129 L130 S131 F148 | N125-A127 VanDerWaalsContact C-N 3.34Å; N125-A127 PolarHBondContact O-N 2.66Å; A127-L129 VanDerWaalsContact C-N 3.35Å; A127-L130 WeakPolarHBondContact O-CB 3.38Å; A127-L130 PolarHBondContact O-N 2.88Å; A127-S131 PolarHBondContact O-N 3.5Å; A127-F148 HydrophobicContact CB-CE1 4.32Å; A127-F148 HydrophobicContact CB-CZ 4.43Å |
| 128 | S | 90.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 33.4 Ų | 33.4 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -32.8 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 113 | D75 A124 N125 S131 K132 | D75-S128 PolarHBondContact OD1-OG 2.89Å; A124-S128 VanDerWaalsContact O-CB 3.25Å; A124-S128 WeakPolarHBondContact O-CB 3.37Å; A124-S128 PolarHBondContact O-N 3.3Å; A124-S128 VanDerWaalsContact O-N 3.1Å; N125-S128 PolarHBondContact O-N 2.8Å; S128-S131 PolarHBondContact O-OG 2.95Å; S128-K132 WeakPolarHBondContact O-CD 3.45Å; S128-K132 VanDerWaalsContact O-CG 3.23Å; S128-K132 WeakPolarHBondContact O-CG 3.31Å; S128-K132 PolarHBondContact O-NZ 2.96Å; S128-K132 PolarHBondContact OG-NZ 3.32Å |
| 129 | L | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.9 | -38.6 | 173.5 | -175.4 | 63.2 | 0 | 0 | 0 | 111.1 | I19 K81 I84 N125 P126 A127 K132 C133 V197 I200 | I19-L129 HydrophobicContact CD1-CB 4.21Å; I19-L129 HydrophobicContact CD1-CD2 3.99Å; I19-L129 HydrophobicContact CD1-CG 3.81Å; I19-L129 HydrophobicContact CG1-CD2 4.15Å; I19-L129 HydrophobicContact CG1-CG 4.49Å; K81-L129 HydrophobicContact CG-CD1 4.11Å; K81-L129 HydrophobicContact CG-CD2 4.24Å; I84-L129 HydrophobicContact CD1-CB 4.29Å; I84-L129 HydrophobicContact CD1-CD2 3.78Å; N125-L129 WeakPolarHBondContact O-CB 3.37Å; N125-L129 PolarHBondContact O-N 3.23Å; P126-L129 PolarHBondContact O-N 3.34Å; A127-L129 VanDerWaalsContact C-N 3.35Å; L129-K132 PolarHBondContact O-N 3.08Å; L129-C133 PolarHBondContact O-N 3.49Å; L129-C133 PolarHBondContact O-SG 3.23Å; L129-V197 HydrophobicContact CD2-CG1 4.3Å; L129-I200 HydrophobicContact CD1-CG2 3.97Å |
| 130 | L | 89.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 176.9 | 176.6 | 64.1 | 0 | 0 | 0 | 110.8 | F16 I19 P126 A127 K132 C133 Y134 A144 F145 F148 | F16-L130 HydrophobicContact CD2-CD1 3.66Å; F16-L130 HydrophobicContact CE2-CD1 4.32Å; I19-L130 HydrophobicContact CD1-CB 4.24Å; I19-L130 HydrophobicContact CG2-CB 4.28Å; P126-L130 VanDerWaalsContact O-CB 3.29Å; P126-L130 WeakPolarHBondContact O-CB 3.48Å; P126-L130 PolarHBondContact O-N 2.92Å; A127-L130 WeakPolarHBondContact O-CB 3.38Å; A127-L130 PolarHBondContact O-N 2.88Å; L130-K132 PolarHBondContact O-N 3.41Å; L130-K132 VanDerWaalsContact O-N 3.16Å; L130-C133 VanDerWaalsContact O-CB 3.29Å; L130-C133 WeakPolarHBondContact O-CB 3.46Å; L130-C133 PolarHBondContact O-N 3.46Å; L130-Y134 HydrophobicContact CD1-CE2 3.8Å; L130-Y134 HydrophobicContact CG-CE2 4.44Å; L130-Y134 VanDerWaalsContact O-CD2 3.25Å; L130-Y134 WeakPolarHBondContact O-CD2 3.37Å; L130-A144 HydrophobicContact CD1-CB 4.42Å; L130-F145 HydrophobicContact CD2-CD1 4.01Å; L130-F145 HydrophobicContact CD2-CE1 4.1Å; L130-F148 HydrophobicContact CD2-CB 3.67Å; L130-F148 HydrophobicContact CD2-CD1 4.46Å; L130-F148 HydrophobicContact CD2-CD2 3.76Å; L130-F148 HydrophobicContact CD2-CG 3.71Å |
| 131 | S | 87.1 | Confident | 86.9 | Confident | 46 Ų | 46 | 43.4 Ų | 43.4 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.9 | -29.1 | 179.1 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | A127 S128 C133 | A127-S131 PolarHBondContact O-N 3.5Å; S128-S131 PolarHBondContact O-OG 2.95Å; S131-C133 VanDerWaalsContact C-N 3.34Å |
| 132 | K | 89.8 | Confident | 85.8 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -80.3 | -11.6 | 177.9 | -66.9 | 174.9 | -178.6 | 106.8 | 0 | 113.5 | D75 S128 L129 L130 Y134 I200 S202 | D75-K132 IonicContact OD1-NZ 3.07Å; D75-K132 PolarHBondContact OD1-NZ 3.49Å; S128-K132 WeakPolarHBondContact O-CD 3.45Å; S128-K132 VanDerWaalsContact O-CG 3.23Å; S128-K132 WeakPolarHBondContact O-CG 3.31Å; S128-K132 PolarHBondContact O-NZ 2.96Å; S128-K132 PolarHBondContact OG-NZ 3.32Å; L129-K132 PolarHBondContact O-N 3.08Å; L130-K132 PolarHBondContact O-N 3.41Å; L130-K132 VanDerWaalsContact O-N 3.16Å; K132-Y134 PolarHBondContact O-N 3.02Å; K132-I200 HydrophobicContact CB-CG2 3.8Å; K132-I200 WeakPolarHBondContact O-CG2 3.47Å; K132-S202 VanDerWaalsContact CE-OG 3.29Å; K132-S202 WeakPolarHBondContact CE-OG 3.14Å; K132-S202 PolarHBondContact NZ-OG 2.97Å |
| 133 | C | 88.4 | Confident | 85 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 12% | 0.122 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -10.9 | 174 | -63.8 | 0 | 0 | 0 | 0 | 113.1 | P15 L129 L130 S131 I200 | P15-C133 HydrophobicContact CB-CB 4.42Å; P15-C133 VanDerWaalsContact CB-SG 3.56Å; L129-C133 PolarHBondContact O-N 3.49Å; L129-C133 PolarHBondContact O-SG 3.23Å; L130-C133 VanDerWaalsContact O-CB 3.29Å; L130-C133 WeakPolarHBondContact O-CB 3.46Å; L130-C133 PolarHBondContact O-N 3.46Å; S131-C133 VanDerWaalsContact C-N 3.34Å; C133-I200 HydrophobicContact CB-CD1 4.45Å |
| 134 | Y | 86.6 | Confident | 84.5 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -120.5 | 138.9 | -176.4 | -58.3 | -94.5 | 0 | 0 | 0 | 110 | Q12 P13 L130 K132 D138 R140 L141 A144 | Q12-Y134 PolarHBondContact OE1-OH 3.35Å; P13-Y134 WeakPolarHBondContact CD-OH 3.45Å; P13-Y134 HydrophobicContact CG-CE1 4.01Å; L130-Y134 HydrophobicContact CD1-CE2 3.8Å; L130-Y134 HydrophobicContact CG-CE2 4.44Å; L130-Y134 VanDerWaalsContact O-CD2 3.25Å; L130-Y134 WeakPolarHBondContact O-CD2 3.37Å; K132-Y134 PolarHBondContact O-N 3.02Å; Y134-D138 HydrophobicContact CD1-CB 4.5Å; Y134-R140 HydrophobicContact CD1-CB 4.18Å; Y134-R140 HydrophobicContact CE1-CB 3.98Å; Y134-L141 HydrophobicContact CD2-CD1 3.61Å; Y134-L141 HydrophobicContact CE2-CD1 4.29Å; Y134-L141 HydrophobicContact CG-CB 4.45Å; Y134-L141 HydrophobicContact CG-CD1 3.97Å; Y134-A144 HydrophobicContact CE1-CB 4.15Å; Y134-A144 HydrophobicContact CE2-CB 3.73Å; Y134-A144 VanDerWaalsContact CZ-CB 3.41Å; Y134-A144 WeakPolarHBondContact OH-CB 3.26Å |
| 135 | P | 84.7 | Confident | 84.1 | Confident | 79 Ų | 79 | 50 Ų | 50 | 51% | 0.513 | 27% | 0.272 | S | S | . | . | trans | -56.7 | 154.3 | 168.5 | -24 | 33.7 | 0 | 0 | 0 | 112 | K137 D138 | P135-K137 PolarHBondContact O-N 3.27Å; P135-D138 WeakPolarHBondContact CD-OD2 3.36Å; P135-D138 WeakPolarHBondContact O-CB 3.14Å; P135-D138 PolarHBondContact O-N 3.49Å; P135-D138 VanDerWaalsContact O-N 3.09Å | ||
| 136 | P | 79.4 | Confident | 83.6 | Confident | 127 Ų | 127 | 54.3 Ų | 54.3 | 83% | 0.825 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 131.1 | 172.4 | -24.1 | 33.5 | 0 | 0 | 0 | 111.2 | D138 | P136-D138 VanDerWaalsContact C-N 3.3Å; P136-D138 PolarHBondContact O-N 2.87Å |
| 137 | K | 76.1 | Confident | 83.2 | Confident | 206 Ų | 206 | 55.6 Ų | 55.6 | 90% | 0.896 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 17.9 | -178.5 | -49.5 | 178.4 | 179 | 179.6 | 0 | 115.8 | P135 | P135-K137 PolarHBondContact O-N 3.27Š|
| 138 | D | 76.6 | Confident | 83.2 | Confident | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | trans | -62.2 | 123 | 170.4 | -170.5 | -38 | 0 | 0 | 0 | 110.2 | Y134 P135 P136 R140 L141 | Y134-D138 HydrophobicContact CD1-CB 4.5Å; P135-D138 WeakPolarHBondContact CD-OD2 3.36Å; P135-D138 WeakPolarHBondContact O-CB 3.14Å; P135-D138 PolarHBondContact O-N 3.49Å; P135-D138 VanDerWaalsContact O-N 3.09Å; P136-D138 VanDerWaalsContact C-N 3.3Å; P136-D138 PolarHBondContact O-N 2.87Å; D138-R140 PolarHBondContact O-N 3.36Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 VanDerWaalsContact OD1-CB 3.24Å; D138-R140 WeakPolarHBondContact OD1-CB 3.4Å; D138-R140 WeakPolarHBondContact OD1-CG 3.4Å; D138-R140 IonicContact OD1-CZ 3.38Å; D138-R140 PolarHBondContact OD1-N 3.45Å; D138-R140 IonicContact OD1-NE 3.22Å; D138-R140 PolarHBondContact OD1-NE 2.81Å; D138-R140 VanDerWaalsContact OD1-NE 3.07Å; D138-R140 IonicContact OD1-NH2 2.71Å; D138-R140 IonicContact OD2-CZ 3.02Å; D138-R140 IonicContact OD2-NE 2.61Å; D138-R140 PolarHBondContact OD2-NE 3.04Å; D138-R140 IonicContact OD2-NH2 3.44Å; D138-R140 PolarHBondContact OD2-NH2 3.21Å; D138-L141 VanDerWaalsContact O-CB 3.3Å; D138-L141 WeakPolarHBondContact O-CB 3.45Å; D138-L141 PolarHBondContact O-N 3.4Å; D138-L141 VanDerWaalsContact O-N 3.14Å | ||
| 139 | P | 75.3 | Confident | 83 | Confident | 83 Ų | 83 | 56.7 Ų | 56.7 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.4 | -177.2 | 29.6 | -37.3 | 0 | 0 | 0 | 113.7 | T5 L141 | T5-P139 HydrophobicContact CG2-CB 4Å; T5-P139 HydrophobicContact CG2-CG 4.02Å; T5-P139 WeakPolarHBondContact OG1-CB 3.18Å; P139-L141 VanDerWaalsContact C-N 3.29Å |
| 140 | R | 78.8 | Confident | 82.8 | Confident | 90 Ų | 90 | 58.8 Ų | 58.8 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -77.3 | -16.2 | 175.8 | -61.4 | 175.4 | -66.5 | 173.9 | -0.2 | 112.9 | T5 Y134 D138 D142 G143 A144 | T5-R140 HydrophobicContact CG2-CG 3.67Å; Y134-R140 HydrophobicContact CD1-CB 4.18Å; Y134-R140 HydrophobicContact CE1-CB 3.98Å; D138-R140 PolarHBondContact O-N 3.36Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 VanDerWaalsContact OD1-CB 3.24Å; D138-R140 WeakPolarHBondContact OD1-CB 3.4Å; D138-R140 WeakPolarHBondContact OD1-CG 3.4Å; D138-R140 IonicContact OD1-CZ 3.38Å; D138-R140 PolarHBondContact OD1-N 3.45Å; D138-R140 IonicContact OD1-NE 3.22Å; D138-R140 PolarHBondContact OD1-NE 2.81Å; D138-R140 VanDerWaalsContact OD1-NE 3.07Å; D138-R140 IonicContact OD1-NH2 2.71Å; D138-R140 IonicContact OD2-CZ 3.02Å; D138-R140 IonicContact OD2-NE 2.61Å; D138-R140 PolarHBondContact OD2-NE 3.04Å; D138-R140 IonicContact OD2-NH2 3.44Å; D138-R140 PolarHBondContact OD2-NH2 3.21Å; R140-D142 VanDerWaalsContact C-N 3.34Å; R140-D142 PolarHBondContact O-N 2.86Å; R140-G143 PolarHBondContact O-N 3.33Å; R140-A144 PolarHBondContact O-N 2.86Å |
| 141 | L | 74.9 | Confident | 82.9 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.199 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | -175.1 | -177.5 | 60.6 | 0 | 0 | 0 | 112 | Y134 D138 P139 G143 A144 F145 | Y134-L141 HydrophobicContact CD2-CD1 3.61Å; Y134-L141 HydrophobicContact CE2-CD1 4.29Å; Y134-L141 HydrophobicContact CG-CB 4.45Å; Y134-L141 HydrophobicContact CG-CD1 3.97Å; D138-L141 VanDerWaalsContact O-CB 3.3Å; D138-L141 WeakPolarHBondContact O-CB 3.45Å; D138-L141 PolarHBondContact O-N 3.4Å; D138-L141 VanDerWaalsContact O-N 3.14Å; P139-L141 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 2.94Å; L141-A144 WeakPolarHBondContact O-CB 3.19Å; L141-A144 PolarHBondContact O-N 3.44Å; L141-A144 VanDerWaalsContact O-N 3.14Å; L141-F145 HydrophobicContact CD1-CD2 3.88Å; L141-F145 HydrophobicContact CD1-CE2 3.5Å; L141-F145 VanDerWaalsContact CD1-CE2 3.5Å; L141-F145 HydrophobicContact CD1-CZ 4.35Å; L141-F145 HydrophobicContact CD2-CE2 4.21Å; L141-F145 HydrophobicContact CG-CD2 3.89Å; L141-F145 HydrophobicContact CG-CE2 3.71Å; L141-F145 WeakPolarHBondContact O-CD2 3.38Å; L141-F145 PolarHBondContact O-N 3.32Å |
| 142 | D | 75.5 | Confident | 83.2 | Confident | 120 Ų | 120 | 58 Ų | 58 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.2 | -41.7 | 178.9 | -64.5 | -17.4 | 0 | 0 | 0 | 111.4 | R140 A144 F145 T146 | R140-D142 VanDerWaalsContact C-N 3.34Å; R140-D142 PolarHBondContact O-N 2.86Å; D142-A144 VanDerWaalsContact C-N 3.3Å; D142-A144 PolarHBondContact O-N 2.97Å; D142-F145 PolarHBondContact O-N 2.86Å; D142-T146 WeakPolarHBondContact O-CB 3.24Å; D142-T146 PolarHBondContact O-N 3.33Å; D142-T146 PolarHBondContact O-OG1 3.47Å |
| 143 | G | 78.8 | Confident | 83.4 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R140 L141 T146 L147 | R140-G143 PolarHBondContact O-N 3.33Å; L141-G143 PolarHBondContact O-N 2.94Å; G143-T146 WeakPolarHBondContact O-CB 3.39Å; G143-T146 PolarHBondContact O-N 3.31Å; G143-L147 WeakPolarHBondContact O-CG 3.47Å; G143-L147 PolarHBondContact O-N 3.17Å |
| 144 | A | 82.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F16 L130 Y134 R140 L141 D142 T146 L147 F148 | F16-A144 HydrophobicContact CD2-CB 4.16Å; F16-A144 HydrophobicContact CE2-CB 4.21Å; F16-A144 WeakPolarHBondContact CE2-O 3.4Å; L130-A144 HydrophobicContact CD1-CB 4.42Å; Y134-A144 HydrophobicContact CE1-CB 4.15Å; Y134-A144 HydrophobicContact CE2-CB 3.73Å; Y134-A144 VanDerWaalsContact CZ-CB 3.41Å; Y134-A144 WeakPolarHBondContact OH-CB 3.26Å; R140-A144 PolarHBondContact O-N 2.86Å; L141-A144 WeakPolarHBondContact O-CB 3.19Å; L141-A144 PolarHBondContact O-N 3.44Å; L141-A144 VanDerWaalsContact O-N 3.14Å; D142-A144 VanDerWaalsContact C-N 3.3Å; D142-A144 PolarHBondContact O-N 2.97Å; A144-T146 VanDerWaalsContact C-N 3.3Å; A144-T146 PolarHBondContact O-N 2.91Å; A144-L147 PolarHBondContact O-N 3.38Å; A144-F148 VanDerWaalsContact O-CB 3.31Å; A144-F148 WeakPolarHBondContact O-CB 3.32Å; A144-F148 PolarHBondContact O-N 2.85Å |
| 145 | F | 82 | Confident | 84.1 | Confident | 78 Ų | 78 | 56.3 Ų | 56.3 | 34% | 0.342 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 174.1 | -81.5 | -63.5 | 0 | 0 | 0 | 112.5 | L130 L141 D142 F148 Y149 | L130-F145 HydrophobicContact CD2-CD1 4.01Å; L130-F145 HydrophobicContact CD2-CE1 4.1Å; L141-F145 HydrophobicContact CD1-CD2 3.88Å; L141-F145 HydrophobicContact CD1-CE2 3.5Å; L141-F145 VanDerWaalsContact CD1-CE2 3.5Å; L141-F145 HydrophobicContact CD1-CZ 4.35Å; L141-F145 HydrophobicContact CD2-CE2 4.21Å; L141-F145 HydrophobicContact CG-CD2 3.89Å; L141-F145 HydrophobicContact CG-CE2 3.71Å; L141-F145 WeakPolarHBondContact O-CD2 3.38Å; L141-F145 PolarHBondContact O-N 3.32Å; D142-F145 PolarHBondContact O-N 2.86Å; F145-F148 WeakPolarHBondContact O-CB 3.46Å; F145-F148 PolarHBondContact O-N 3.25Å; F145-Y149 PolarHBondContact O-N 2.93Å |
| 146 | T | 83.6 | Confident | 84.8 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 55% | 0.546 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 173.6 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | D142 G143 A144 F148 Y149 M150 | D142-T146 WeakPolarHBondContact O-CB 3.24Å; D142-T146 PolarHBondContact O-N 3.33Å; D142-T146 PolarHBondContact O-OG1 3.47Å; G143-T146 WeakPolarHBondContact O-CB 3.39Å; G143-T146 PolarHBondContact O-N 3.31Å; A144-T146 VanDerWaalsContact C-N 3.3Å; A144-T146 PolarHBondContact O-N 2.91Å; T146-F148 VanDerWaalsContact C-N 3.32Å; T146-F148 PolarHBondContact O-N 3.06Å; T146-Y149 PolarHBondContact O-N 2.9Å; T146-M150 WeakPolarHBondContact O-CG 3.45Å; T146-M150 PolarHBondContact O-N 2.86Å |
| 147 | L | 86.2 | Confident | 85.6 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -34.8 | 176.4 | -66.2 | 167.6 | 0 | 0 | 0 | 112 | M9 Q12 F16 F20 G143 A144 M150 S151 | M9-L147 HydrophobicContact CB-CD1 4.33Å; M9-L147 HydrophobicContact CB-CD2 4.32Å; M9-L147 HydrophobicContact CG-CD1 4.34Å; M9-L147 HydrophobicContact CG-CD2 4.38Å; Q12-L147 HydrophobicContact CG-CD1 3.74Å; F16-L147 HydrophobicContact CE1-CB 4.35Å; F16-L147 HydrophobicContact CE1-CD1 4.19Å; F16-L147 HydrophobicContact CE2-CB 4.02Å; F16-L147 HydrophobicContact CZ-CB 3.41Å; F16-L147 VanDerWaalsContact CZ-CB 3.41Å; F16-L147 HydrophobicContact CZ-CD1 3.89Å; F16-L147 HydrophobicContact CZ-CG 4.31Å; F20-L147 WeakPolarHBondContact CE2-O 3.27Å; G143-L147 WeakPolarHBondContact O-CG 3.47Å; G143-L147 PolarHBondContact O-N 3.17Å; A144-L147 PolarHBondContact O-N 3.38Å; L147-M150 WeakPolarHBondContact O-CB 3.07Å; L147-M150 PolarHBondContact O-N 2.82Å; L147-S151 PolarHBondContact O-N 2.97Å |
| 148 | F | 88 | Confident | 86.6 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 173.5 | -175.3 | -98.4 | 0 | 0 | 0 | 111.3 | I19 E23 P126 A127 L130 A144 F145 T146 M150 S151 I152 | I19-F148 HydrophobicContact CG2-CD2 4.29Å; I19-F148 HydrophobicContact CG2-CE2 3.87Å; E23-F148 HydrophobicContact CB-CD2 4.36Å; E23-F148 HydrophobicContact CB-CE2 3.63Å; E23-F148 HydrophobicContact CB-CZ 4.06Å; E23-F148 HydrophobicContact CG-CD2 4.25Å; E23-F148 HydrophobicContact CG-CE1 4.17Å; E23-F148 HydrophobicContact CG-CE2 3.52Å; E23-F148 HydrophobicContact CG-CZ 3.48Å; E23-F148 VanDerWaalsContact CG-CZ 3.48Å; E23-F148 WeakPolarHBondContact OE2-CZ 3.43Å; P126-F148 HydrophobicContact CB-CE2 4.23Å; P126-F148 HydrophobicContact CB-CZ 4.15Å; A127-F148 HydrophobicContact CB-CE1 4.32Å; A127-F148 HydrophobicContact CB-CZ 4.43Å; L130-F148 HydrophobicContact CD2-CB 3.67Å; L130-F148 HydrophobicContact CD2-CD1 4.46Å; L130-F148 HydrophobicContact CD2-CD2 3.76Å; L130-F148 HydrophobicContact CD2-CG 3.71Å; A144-F148 VanDerWaalsContact O-CB 3.31Å; A144-F148 WeakPolarHBondContact O-CB 3.32Å; A144-F148 PolarHBondContact O-N 2.85Å; F145-F148 WeakPolarHBondContact O-CB 3.46Å; F145-F148 PolarHBondContact O-N 3.25Å; T146-F148 VanDerWaalsContact C-N 3.32Å; T146-F148 PolarHBondContact O-N 3.06Å; F148-M150 VanDerWaalsContact C-N 3.3Å; F148-M150 PolarHBondContact O-N 3.38Å; F148-S151 VanDerWaalsContact O-CB 3.31Å; F148-S151 WeakPolarHBondContact O-CB 3Å; F148-S151 PolarHBondContact O-N 3.4Å; F148-S151 VanDerWaalsContact O-N 3.08Å; F148-S151 PolarHBondContact O-OG 2.87Å; F148-I152 HydrophobicContact CD1-CD1 4.29Å; F148-I152 HydrophobicContact CE1-CD1 4.09Å; F148-I152 PolarHBondContact O-N 3.37Å |
| 149 | Y | 86.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 22% | 0.216 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -35.6 | 172.5 | -177.7 | -105 | 0 | 0 | 0 | 112.5 | F145 T146 S151 I152 N153 V322 E393 | F145-Y149 PolarHBondContact O-N 2.93Å; T146-Y149 PolarHBondContact O-N 2.9Å; Y149-S151 VanDerWaalsContact C-N 3.31Å; Y149-S151 PolarHBondContact O-N 2.98Å; Y149-I152 WeakPolarHBondContact O-CB 3.29Å; Y149-I152 PolarHBondContact O-N 3.03Å; Y149-N153 WeakPolarHBondContact CD1-ND2 3.31Å; Y149-N153 WeakPolarHBondContact CE1-ND2 3.44Å; Y149-N153 VanDerWaalsContact CZ-ND2 3.25Å; Y149-N153 PolarHBondContact O-N 2.72Å; Y149-N153 PolarHBondContact O-ND2 3.48Å; Y149-V322 HydrophobicContact CE1-CG1 3.77Å; Y149-V322 WeakPolarHBondContact OH-CG1 3.29Å; Y149-E393 PolarHBondContact OH-OE1 3.25Å; Y149-E393 VanDerWaalsContact OH-OE1 3.08Å |
| 150 | M | 88.5 | Confident | 88.7 | Confident | 45 Ų | 45 | 37.3 Ų | 37.3 | 22% | 0.222 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -36.8 | 171.6 | -69 | -60 | -60.4 | 0 | 0 | 112.3 | T146 L147 F148 I152 N153 I154 V323 | T146-M150 WeakPolarHBondContact O-CG 3.45Å; T146-M150 PolarHBondContact O-N 2.86Å; L147-M150 WeakPolarHBondContact O-CB 3.07Å; L147-M150 PolarHBondContact O-N 2.82Å; F148-M150 VanDerWaalsContact C-N 3.3Å; F148-M150 PolarHBondContact O-N 3.38Å; M150-I152 VanDerWaalsContact C-N 3.27Å; M150-I152 PolarHBondContact O-N 2.97Å; M150-N153 PolarHBondContact O-N 3.47Å; M150-I154 WeakPolarHBondContact O-CB 3.33Å; M150-I154 VanDerWaalsContact O-CG1 3.27Å; M150-I154 WeakPolarHBondContact O-CG1 3.49Å; M150-I154 PolarHBondContact O-N 2.98Å; M150-V323 HydrophobicContact CE-CB 4.29Å; M150-V323 HydrophobicContact CE-CG1 3.95Å; M150-V323 HydrophobicContact CE-CG2 3.89Å |
| 151 | S | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 175.7 | 84 | 0 | 0 | 0 | 0 | 112.4 | F20 E23 L147 F148 Y149 G155 | F20-S151 VanDerWaalsContact CD2-CB 3.47Å; E23-S151 WeakPolarHBondContact CG-OG 3.47Å; L147-S151 PolarHBondContact O-N 2.97Å; F148-S151 VanDerWaalsContact O-CB 3.31Å; F148-S151 WeakPolarHBondContact O-CB 3Å; F148-S151 PolarHBondContact O-N 3.4Å; F148-S151 VanDerWaalsContact O-N 3.08Å; F148-S151 PolarHBondContact O-OG 2.87Å; Y149-S151 VanDerWaalsContact C-N 3.31Å; Y149-S151 PolarHBondContact O-N 2.98Å; S151-G155 PolarHBondContact O-N 2.71Å |
| 152 | I | 93.4 | Very high | 90.7 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 177.6 | -62.3 | 170.7 | 0 | 0 | 0 | 110.4 | E23 R27 Y31 F148 Y149 M150 S156 | E23-I152 HydrophobicContact CG-CG1 3.91Å; R27-I152 HydrophobicContact CG-CB 4.19Å; R27-I152 HydrophobicContact CG-CG1 4.02Å; R27-I152 HydrophobicContact CG-CG2 4.15Å; Y31-I152 HydrophobicContact CE2-CG2 4.47Å; F148-I152 HydrophobicContact CD1-CD1 4.29Å; F148-I152 HydrophobicContact CE1-CD1 4.09Å; F148-I152 PolarHBondContact O-N 3.37Å; Y149-I152 WeakPolarHBondContact O-CB 3.29Å; Y149-I152 PolarHBondContact O-N 3.03Å; M150-I152 VanDerWaalsContact C-N 3.27Å; M150-I152 PolarHBondContact O-N 2.97Å; I152-S156 WeakPolarHBondContact O-CB 3.44Å; I152-S156 PolarHBondContact O-N 2.86Å; I152-S156 PolarHBondContact O-OG 3.08Å |
| 153 | N | 93.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.7 | -37.6 | 180 | -75.8 | -75.7 | 0 | 0 | 0 | 112.8 | Y149 M150 S156 L157 P319 V322 V323 | Y149-N153 WeakPolarHBondContact CD1-ND2 3.31Å; Y149-N153 WeakPolarHBondContact CE1-ND2 3.44Å; Y149-N153 VanDerWaalsContact CZ-ND2 3.25Å; Y149-N153 PolarHBondContact O-N 2.72Å; Y149-N153 PolarHBondContact O-ND2 3.48Å; M150-N153 PolarHBondContact O-N 3.47Å; N153-S156 WeakPolarHBondContact CA-OG 3.38Å; N153-S156 PolarHBondContact O-OG 2.93Å; N153-L157 WeakPolarHBondContact O-CB 3.07Å; N153-L157 PolarHBondContact O-N 3.24Å; N153-P319 HydrophobicContact CB-CB 4.45Å; N153-V322 VanDerWaalsContact CG-CG1 3.5Å; N153-V322 WeakPolarHBondContact OD1-CG1 3.37Å; N153-V323 HydrophobicContact CB-CG2 3.69Å |
| 154 | I | 94.8 | Very high | 92.7 | Very high | 61 Ų | 61 | 31.5 Ų | 31.5 | 31% | 0.313 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.1 | -47.1 | 175.2 | -67.9 | 165.8 | 0 | 0 | 0 | 110.4 | L24 M150 S156 L157 I158 | L24-I154 HydrophobicContact CD1-CB 4.37Å; L24-I154 HydrophobicContact CD1-CG2 3.87Å; M150-I154 WeakPolarHBondContact O-CB 3.33Å; M150-I154 VanDerWaalsContact O-CG1 3.27Å; M150-I154 WeakPolarHBondContact O-CG1 3.49Å; M150-I154 PolarHBondContact O-N 2.98Å; I154-S156 PolarHBondContact O-N 3Å; I154-L157 PolarHBondContact O-N 3.45Å; I154-I158 HydrophobicContact CG2-CD1 3.84Å; I154-I158 VanDerWaalsContact O-CG1 3.3Å; I154-I158 WeakPolarHBondContact O-CG1 3.44Å; I154-I158 PolarHBondContact O-N 3.21Å |
| 155 | G | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S151 A159 | S151-G155 PolarHBondContact O-N 2.71Å; G155-A159 WeakPolarHBondContact O-CB 3.47Å; G155-A159 PolarHBondContact O-N 3.33Å |
| 156 | S | 97.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -40.2 | 176.8 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | Y31 I152 N153 I154 I158 A159 L160 P319 | Y31-S156 VanDerWaalsContact CG-CB 3.47Å; I152-S156 WeakPolarHBondContact O-CB 3.44Å; I152-S156 PolarHBondContact O-N 2.86Å; I152-S156 PolarHBondContact O-OG 3.08Å; N153-S156 WeakPolarHBondContact CA-OG 3.38Å; N153-S156 PolarHBondContact O-OG 2.93Å; I154-S156 PolarHBondContact O-N 3Å; S156-I158 PolarHBondContact O-N 2.91Å; S156-A159 PolarHBondContact O-N 3.18Å; S156-L160 WeakPolarHBondContact O-CB 3.12Å; S156-L160 WeakPolarHBondContact O-CG 3.44Å; S156-L160 PolarHBondContact O-N 2.92Å; S156-P319 WeakPolarHBondContact OG-CB 3.37Å |
| 157 | L | 98 | Very high | 94.9 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 24% | 0.236 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.2 | 177.8 | 60.8 | 0 | 0 | 0 | 111.5 | N153 I154 A159 S161 A316 P319 F320 | N153-L157 WeakPolarHBondContact O-CB 3.07Å; N153-L157 PolarHBondContact O-N 3.24Å; I154-L157 PolarHBondContact O-N 3.45Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.79Å; L157-S161 VanDerWaalsContact O-CB 3.26Å; L157-S161 WeakPolarHBondContact O-CB 3.3Å; L157-S161 PolarHBondContact O-N 3.45Å; L157-S161 PolarHBondContact O-OG 2.88Å; L157-A316 HydrophobicContact CD1-CB 4.14Å; L157-A316 VanDerWaalsContact CD1-O 3.31Å; L157-A316 WeakPolarHBondContact CD1-O 3.49Å; L157-P319 HydrophobicContact CB-CB 4.08Å; L157-P319 HydrophobicContact CB-CG 3.99Å; L157-P319 HydrophobicContact CD1-CG 4.24Å; L157-F320 HydrophobicContact CD1-CB 3.88Å |
| 158 | I | 97.2 | Very high | 95.4 | Very high | 70 Ų | 70 | 32 Ų | 32 | 36% | 0.359 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 178.2 | -63.7 | 167.8 | 0 | 0 | 0 | 109.9 | F28 I154 S156 S161 L162 | F28-I158 HydrophobicContact CD2-CB 4.29Å; F28-I158 HydrophobicContact CD2-CG2 3.88Å; F28-I158 HydrophobicContact CE2-CG2 3.86Å; I154-I158 HydrophobicContact CG2-CD1 3.84Å; I154-I158 VanDerWaalsContact O-CG1 3.3Å; I154-I158 WeakPolarHBondContact O-CG1 3.44Å; I154-I158 PolarHBondContact O-N 3.21Å; S156-I158 PolarHBondContact O-N 2.91Å; I158-S161 PolarHBondContact O-N 3.23Å; I158-L162 HydrophobicContact CG2-CD1 3.78Å; I158-L162 HydrophobicContact CG2-CG 4.45Å; I158-L162 WeakPolarHBondContact O-CB 3.32Å; I158-L162 WeakPolarHBondContact O-CG 3.38Å; I158-L162 PolarHBondContact O-N 3.47Å |
| 159 | A | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -50.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F28 G155 S156 L157 S161 L162 A163 | F28-A159 HydrophobicContact CB-CB 4.46Å; F28-A159 HydrophobicContact CD2-CB 3.68Å; F28-A159 HydrophobicContact CE2-CB 4.13Å; F28-A159 HydrophobicContact CG-CB 4.19Å; F28-A159 WeakPolarHBondContact O-CB 3.17Å; G155-A159 WeakPolarHBondContact O-CB 3.47Å; G155-A159 PolarHBondContact O-N 3.33Å; S156-A159 PolarHBondContact O-N 3.18Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-A159 PolarHBondContact O-N 2.79Å; A159-S161 PolarHBondContact O-N 2.95Å; A159-L162 PolarHBondContact O-N 3.14Å; A159-A163 WeakPolarHBondContact O-CB 3.31Å; A159-A163 PolarHBondContact O-N 3.18Å |
| 160 | L | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.5 | -24.8 | -179.8 | -66.2 | 173 | 0 | 0 | 0 | 112 | Y31 S156 P164 S313 Q315 A316 P319 | Y31-L160 HydrophobicContact CD1-CD1 4.23Å; S156-L160 WeakPolarHBondContact O-CB 3.12Å; S156-L160 WeakPolarHBondContact O-CG 3.44Å; S156-L160 PolarHBondContact O-N 2.92Å; L160-P164 VanDerWaalsContact O-CD 3.25Å; L160-P164 WeakPolarHBondContact O-CD 3.45Å; L160-P164 WeakPolarHBondContact O-CG 3.46Å; L160-S313 WeakPolarHBondContact O-CA 3.37Å; L160-S313 PolarHBondContact O-OG 3.07Å; L160-Q315 HydrophobicContact CD1-CB 4.22Å; L160-Q315 HydrophobicContact CD2-CB 4.17Å; L160-A316 HydrophobicContact CB-CB 3.85Å; L160-P319 HydrophobicContact CD1-CG 4.14Å |
| 161 | S | 97.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -75.9 | -44.4 | 172.6 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | L157 I158 A159 V165 S313 A316 | L157-S161 VanDerWaalsContact O-CB 3.26Å; L157-S161 WeakPolarHBondContact O-CB 3.3Å; L157-S161 PolarHBondContact O-N 3.45Å; L157-S161 PolarHBondContact O-OG 2.88Å; I158-S161 PolarHBondContact O-N 3.23Å; A159-S161 PolarHBondContact O-N 2.95Å; S161-V165 WeakPolarHBondContact O-CG2 3.48Å; S161-S313 PolarHBondContact O-OG 3.45Å; S161-A316 WeakPolarHBondContact OG-CB 3.08Å |
| 162 | L | 97.5 | Very high | 96.9 | Very high | 86 Ų | 86 | 44.9 Ų | 44.9 | 45% | 0.45 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -94.8 | -42.3 | -170.1 | -65.3 | -178.9 | 0 | 0 | 0 | 114.3 | I158 A159 V165 I166 | I158-L162 HydrophobicContact CG2-CD1 3.78Å; I158-L162 HydrophobicContact CG2-CG 4.45Å; I158-L162 WeakPolarHBondContact O-CB 3.32Å; I158-L162 WeakPolarHBondContact O-CG 3.38Å; I158-L162 PolarHBondContact O-N 3.47Å; A159-L162 PolarHBondContact O-N 3.14Å; L162-V165 PolarHBondContact O-N 2.94Å; L162-V165 VanDerWaalsContact O-N 3.12Å; L162-I166 HydrophobicContact CB-CD1 4.19Å; L162-I166 VanDerWaalsContact O-CG1 3.28Å; L162-I166 WeakPolarHBondContact O-CG1 3.2Å; L162-I166 PolarHBondContact O-N 2.9Å |
| 163 | A | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V36 A159 V165 I166 A167 T175 | V36-A163 HydrophobicContact CG1-CB 4.5Å; A159-A163 WeakPolarHBondContact O-CB 3.31Å; A159-A163 PolarHBondContact O-N 3.18Å; A163-V165 PolarHBondContact O-N 3.34Å; A163-I166 PolarHBondContact O-N 2.71Å; A163-A167 WeakPolarHBondContact O-CB 3.46Å; A163-A167 PolarHBondContact O-N 3.42Å; A163-T175 HydrophobicContact CB-CG2 3.73Å; A163-T175 WeakPolarHBondContact O-CG2 3.39Å |
| 164 | P | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 176.6 | -18.4 | 31.9 | 0 | 0 | 0 | 114 | V36 L160 A167 D168 N310 V312 | V36-P164 HydrophobicContact CG1-CB 3.98Å; V36-P164 HydrophobicContact CG1-CG 3.81Å; L160-P164 VanDerWaalsContact O-CD 3.25Å; L160-P164 WeakPolarHBondContact O-CD 3.45Å; L160-P164 WeakPolarHBondContact O-CG 3.46Å; P164-A167 PolarHBondContact O-N 3.38Å; P164-D168 WeakPolarHBondContact O-CB 3.43Å; P164-D168 PolarHBondContact O-N 2.86Å; P164-N310 WeakPolarHBondContact CB-OD1 3.5Å; P164-N310 PolarHBondContact O-ND2 2.95Å; P164-V312 HydrophobicContact CB-CB 3.7Å; P164-V312 HydrophobicContact CB-CG1 3.79Å; P164-V312 HydrophobicContact CG-CB 4.07Å; P164-V312 HydrophobicContact CG-CG1 3.71Å |
| 165 | V | 97.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.6 | -40 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | S161 L162 A163 R169 N310 | S161-V165 WeakPolarHBondContact O-CG2 3.48Å; L162-V165 PolarHBondContact O-N 2.94Å; L162-V165 VanDerWaalsContact O-N 3.12Å; A163-V165 PolarHBondContact O-N 3.34Å; V165-R169 WeakPolarHBondContact O-CB 3.44Å; V165-R169 WeakPolarHBondContact O-CG 3.43Å; V165-R169 PolarHBondContact O-N 3.24Å; V165-R169 VanDerWaalsContact O-N 3.08Å; V165-N310 HydrophobicContact CG2-CB 3.95Å |
| 166 | I | 98 | Very high | 97.3 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -41.5 | 175.6 | -64.2 | 165.6 | 0 | 0 | 0 | 110.1 | L162 A163 D168 R169 F170 G171 V174 T175 L178 | L162-I166 HydrophobicContact CB-CD1 4.19Å; L162-I166 VanDerWaalsContact O-CG1 3.28Å; L162-I166 WeakPolarHBondContact O-CG1 3.2Å; L162-I166 PolarHBondContact O-N 2.9Å; A163-I166 PolarHBondContact O-N 2.71Å; I166-D168 VanDerWaalsContact C-N 3.32Å; I166-D168 PolarHBondContact O-N 3.48Å; I166-R169 PolarHBondContact O-N 2.97Å; I166-F170 HydrophobicContact CG2-CB 4.32Å; I166-F170 HydrophobicContact CG2-CD2 4.12Å; I166-F170 WeakPolarHBondContact O-CA 3.35Å; I166-F170 WeakPolarHBondContact O-CB 3.36Å; I166-F170 PolarHBondContact O-N 3.2Å; I166-G171 PolarHBondContact O-N 3.24Å; I166-V174 HydrophobicContact CG2-CG1 4.26Å; I166-T175 WeakPolarHBondContact CG2-OG1 3.4Å; I166-L178 HydrophobicContact CD1-CD1 4.17Å; I166-L178 HydrophobicContact CG2-CD1 3.95Å |
| 167 | A | 98 | Very high | 97.3 | Very high | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V36 A163 P164 G171 Y172 T175 | V36-A167 HydrophobicContact CG1-CB 4.42Å; A163-A167 WeakPolarHBondContact O-CB 3.46Å; A163-A167 PolarHBondContact O-N 3.42Å; P164-A167 PolarHBondContact O-N 3.38Å; A167-G171 CarbonylContact O-C 3.08Å; A167-G171 WeakPolarHBondContact O-CA 3.28Å; A167-G171 PolarHBondContact O-N 3.21Å; A167-Y172 HydrophobicContact CB-CD1 4.04Å; A167-Y172 HydrophobicContact CB-CD2 4.42Å; A167-Y172 HydrophobicContact CB-CE1 4.06Å; A167-Y172 HydrophobicContact CB-CE2 4.39Å; A167-Y172 HydrophobicContact CB-CG 4.23Å; A167-T175 WeakPolarHBondContact CA-OG1 3.3Å; A167-T175 HydrophobicContact CB-CG2 4.42Å; A167-T175 WeakPolarHBondContact CB-OG1 3.22Å; A167-T175 PolarHBondContact N-OG1 2.93Å |
| 168 | D | 96.2 | Very high | 97.2 | Very high | 120 Ų | 120 | 49.8 Ų | 49.8 | 64% | 0.642 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.8 | -41.9 | 177.8 | -171.1 | 54.8 | 0 | 0 | 0 | 112.5 | P164 I166 | P164-D168 WeakPolarHBondContact O-CB 3.43Å; P164-D168 PolarHBondContact O-N 2.86Å; I166-D168 VanDerWaalsContact C-N 3.32Å; I166-D168 PolarHBondContact O-N 3.48Å |
| 169 | R | 96.6 | Very high | 97.2 | Very high | 191 Ų | 191 | 46.5 Ų | 46.5 | 72% | 0.721 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -89 | -36.1 | -175.4 | -66.6 | -177.1 | -178.4 | -147 | 1.1 | 115.1 | V165 I166 | V165-R169 WeakPolarHBondContact O-CB 3.44Å; V165-R169 WeakPolarHBondContact O-CG 3.43Å; V165-R169 PolarHBondContact O-N 3.24Å; V165-R169 VanDerWaalsContact O-N 3.08Å; I166-R169 PolarHBondContact O-N 2.97Å |
| 170 | F | 97 | Very high | 97.2 | Very high | 143 Ų | 143 | 46.5 Ų | 46.5 | 63% | 0.627 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -120.7 | -4.3 | -172.2 | -57.2 | -74.4 | 0 | 0 | 0 | 113.1 | I166 V174 | I166-F170 HydrophobicContact CG2-CB 4.32Å; I166-F170 HydrophobicContact CG2-CD2 4.12Å; I166-F170 WeakPolarHBondContact O-CA 3.35Å; I166-F170 WeakPolarHBondContact O-CB 3.36Å; I166-F170 PolarHBondContact O-N 3.2Å; F170-V174 HydrophobicContact CB-CB 4.22Å; F170-V174 HydrophobicContact CB-CG1 4.1Å; F170-V174 HydrophobicContact CB-CG2 4.43Å; F170-V174 VanDerWaalsContact O-CG2 3.28Å; F170-V174 WeakPolarHBondContact O-CG2 3.38Å |
| 171 | G | 96.4 | Very high | 97 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | trans | 93.4 | 157.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | I166 A167 S173 V174 T175 | I166-G171 PolarHBondContact O-N 3.24Å; A167-G171 CarbonylContact O-C 3.08Å; A167-G171 WeakPolarHBondContact O-CA 3.28Å; A167-G171 PolarHBondContact O-N 3.21Å; G171-S173 PolarHBondContact O-N 3.43Å; G171-V174 PolarHBondContact O-N 2.88Å; G171-T175 PolarHBondContact O-N 3.41Å; G171-T175 PolarHBondContact O-OG1 2.8Å; G171-T175 VanDerWaalsContact O-OG1 3.05Å | ||
| 172 | Y | 96.7 | Very high | 96.9 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -38.2 | -177.9 | -72.4 | -96.2 | 0 | 0 | 0 | 112.8 | V36 V39 F40 Q44 A167 V174 T175 Y176 | V36-Y172 HydrophobicContact CB-CD1 4.39Å; V36-Y172 HydrophobicContact CB-CE1 3.98Å; V36-Y172 HydrophobicContact CG2-CD1 4.21Å; V36-Y172 HydrophobicContact CG2-CE1 4.3Å; V39-Y172 VanDerWaalsContact CG1-OH 3.3Å; V39-Y172 WeakPolarHBondContact CG1-OH 3.4Å; F40-Y172 HydrophobicContact CB-CD1 3.7Å; F40-Y172 HydrophobicContact CB-CE1 3.77Å; F40-Y172 AromaticContact CD2-CD1 3.6Å; F40-Y172 HydrophobicContact CD2-CD1 3.6Å; F40-Y172 HydrophobicContact CD2-CD2 4.41Å; F40-Y172 HydrophobicContact CD2-CE1 4.32Å; F40-Y172 AromaticContact CD2-CG 3.66Å; F40-Y172 HydrophobicContact CD2-CG 3.66Å; F40-Y172 HydrophobicContact CE2-CG 4.39Å; F40-Y172 HydrophobicContact CG-CD1 4.04Å; Q44-Y172 HydrophobicContact CG-CD2 3.64Å; Q44-Y172 HydrophobicContact CG-CE2 3.93Å; Q44-Y172 HydrophobicContact CG-CG 4.17Å; A167-Y172 HydrophobicContact CB-CD1 4.04Å; A167-Y172 HydrophobicContact CB-CD2 4.42Å; A167-Y172 HydrophobicContact CB-CE1 4.06Å; A167-Y172 HydrophobicContact CB-CE2 4.39Å; A167-Y172 HydrophobicContact CB-CG 4.23Å; Y172-V174 PolarHBondContact O-N 3.29Å; Y172-T175 WeakPolarHBondContact O-CB 3.33Å; Y172-T175 PolarHBondContact O-N 3.44Å; Y172-T175 VanDerWaalsContact O-N 3.15Å; Y172-Y176 HydrophobicContact CD1-CE2 4.3Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.46Å; Y172-Y176 PolarHBondContact O-N 2.9Å |
| 173 | S | 95.4 | Very high | 96.7 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 178.8 | -164.7 | 0 | 0 | 0 | 0 | 112.1 | G99 G171 T175 Y176 N177 | G99-S173 PolarHBondContact O-OG 3.31Å; G171-S173 PolarHBondContact O-N 3.43Å; S173-T175 VanDerWaalsContact C-N 3.32Å; S173-T175 PolarHBondContact O-N 3.09Å; S173-Y176 PolarHBondContact O-N 3.26Å; S173-N177 VanDerWaalsContact O-CB 3.31Å; S173-N177 WeakPolarHBondContact O-CB 3.25Å; S173-N177 PolarHBondContact O-N 3.31Å; S173-N177 PolarHBondContact O-ND2 3.13Å; S173-N177 VanDerWaalsContact O-ND2 3.15Å |
| 174 | V | 96.8 | Very high | 96.6 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 38% | 0.382 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.1 | -43 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | I166 F170 G171 Y172 N177 L178 | I166-V174 HydrophobicContact CG2-CG1 4.26Å; F170-V174 HydrophobicContact CB-CB 4.22Å; F170-V174 HydrophobicContact CB-CG1 4.1Å; F170-V174 HydrophobicContact CB-CG2 4.43Å; F170-V174 VanDerWaalsContact O-CG2 3.28Å; F170-V174 WeakPolarHBondContact O-CG2 3.38Å; G171-V174 PolarHBondContact O-N 2.88Å; Y172-V174 PolarHBondContact O-N 3.29Å; V174-N177 PolarHBondContact O-N 3.3Å; V174-L178 HydrophobicContact CG1-CD1 3.9Å; V174-L178 HydrophobicContact CG1-CG 4.32Å; V174-L178 WeakPolarHBondContact O-CB 3.23Å; V174-L178 VanDerWaalsContact O-CG 3.29Å; V174-L178 WeakPolarHBondContact O-CG 3.4Å; V174-L178 PolarHBondContact O-N 2.81Å |
| 175 | T | 97.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 179.1 | -55.2 | 0 | 0 | 0 | 0 | 112 | A163 I166 A167 G171 Y172 S173 L178 C179 | A163-T175 HydrophobicContact CB-CG2 3.73Å; A163-T175 WeakPolarHBondContact O-CG2 3.39Å; I166-T175 WeakPolarHBondContact CG2-OG1 3.4Å; A167-T175 WeakPolarHBondContact CA-OG1 3.3Å; A167-T175 HydrophobicContact CB-CG2 4.42Å; A167-T175 WeakPolarHBondContact CB-OG1 3.22Å; A167-T175 PolarHBondContact N-OG1 2.93Å; G171-T175 PolarHBondContact O-N 3.41Å; G171-T175 PolarHBondContact O-OG1 2.8Å; G171-T175 VanDerWaalsContact O-OG1 3.05Å; Y172-T175 WeakPolarHBondContact O-CB 3.33Å; Y172-T175 PolarHBondContact O-N 3.44Å; Y172-T175 VanDerWaalsContact O-N 3.15Å; S173-T175 VanDerWaalsContact C-N 3.32Å; S173-T175 PolarHBondContact O-N 3.09Å; T175-L178 PolarHBondContact O-N 3.19Å; T175-C179 PolarHBondContact O-N 3.48Å; T175-C179 PolarHBondContact O-SG 2.96Å |
| 176 | Y | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 178.5 | -63.6 | -52 | 0 | 0 | 0 | 112.4 | V33 V36 F40 T98 Y172 S173 L178 C179 G180 | V33-Y176 HydrophobicContact CB-CD1 4.22Å; V33-Y176 HydrophobicContact CB-CE1 4.16Å; V33-Y176 HydrophobicContact CG1-CD1 4.17Å; V33-Y176 HydrophobicContact CG1-CE1 3.87Å; V33-Y176 HydrophobicContact CG2-CD1 3.71Å; V33-Y176 HydrophobicContact CG2-CE1 4.17Å; V36-Y176 HydrophobicContact CG2-CE1 3.81Å; F40-Y176 WeakPolarHBondContact CB-OH 3.41Å; F40-Y176 HydrophobicContact CD1-CE2 4.04Å; F40-Y176 WeakPolarHBondContact CD1-OH 3.41Å; F40-Y176 AromaticContact CD2-CE2 3.88Å; F40-Y176 HydrophobicContact CD2-CE2 3.88Å; F40-Y176 HydrophobicContact CE1-CE2 4.19Å; F40-Y176 HydrophobicContact CE2-CE2 4.09Å; F40-Y176 AromaticContact CG-CE2 3.88Å; F40-Y176 HydrophobicContact CG-CE2 3.88Å; F40-Y176 AromaticContact CG-CZ 3.98Å; F40-Y176 WeakPolarHBondContact CG-OH 3.44Å; F40-Y176 HydrophobicContact CZ-CE2 4.23Å; T98-Y176 HydrophobicContact CG2-CD1 3.98Å; T98-Y176 HydrophobicContact CG2-CD2 3.79Å; T98-Y176 HydrophobicContact CG2-CE1 3.88Å; T98-Y176 HydrophobicContact CG2-CE2 3.68Å; T98-Y176 HydrophobicContact CG2-CG 3.94Å; Y172-Y176 HydrophobicContact CD1-CE2 4.3Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.46Å; Y172-Y176 PolarHBondContact O-N 2.9Å; S173-Y176 PolarHBondContact O-N 3.26Å; Y176-L178 VanDerWaalsContact C-N 3.34Å; Y176-L178 PolarHBondContact O-N 3.1Å; Y176-C179 WeakPolarHBondContact O-CB 3.23Å; Y176-C179 PolarHBondContact O-N 3.29Å; Y176-G180 PolarHBondContact O-N 2.9Å |
| 177 | N | 96.4 | Very high | 96.1 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 174.8 | -69.5 | -21.4 | 0 | 0 | 0 | 112 | F96 S173 V174 G180 A181 | F96-N177 HydrophobicContact CD1-CB 4.41Å; F96-N177 HydrophobicContact CE1-CB 4.48Å; F96-N177 WeakPolarHBondContact CE1-O 3.29Å; S173-N177 VanDerWaalsContact O-CB 3.31Å; S173-N177 WeakPolarHBondContact O-CB 3.25Å; S173-N177 PolarHBondContact O-N 3.31Å; S173-N177 PolarHBondContact O-ND2 3.13Å; S173-N177 VanDerWaalsContact O-ND2 3.15Å; V174-N177 PolarHBondContact O-N 3.3Å; N177-G180 PolarHBondContact O-N 3.39Å; N177-A181 VanDerWaalsContact O-CB 3.31Å; N177-A181 WeakPolarHBondContact O-CB 3.49Å; N177-A181 PolarHBondContact O-N 3.36Å |
| 178 | L | 96.7 | Very high | 96 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 174.1 | -75.1 | 171.4 | 0 | 0 | 0 | 112 | I166 V174 T175 Y176 G180 A181 G182 | I166-L178 HydrophobicContact CD1-CD1 4.17Å; I166-L178 HydrophobicContact CG2-CD1 3.95Å; V174-L178 HydrophobicContact CG1-CD1 3.9Å; V174-L178 HydrophobicContact CG1-CG 4.32Å; V174-L178 WeakPolarHBondContact O-CB 3.23Å; V174-L178 VanDerWaalsContact O-CG 3.29Å; V174-L178 WeakPolarHBondContact O-CG 3.4Å; V174-L178 PolarHBondContact O-N 2.81Å; T175-L178 PolarHBondContact O-N 3.19Å; Y176-L178 VanDerWaalsContact C-N 3.34Å; Y176-L178 PolarHBondContact O-N 3.1Å; L178-G180 VanDerWaalsContact C-N 3.34Å; L178-A181 PolarHBondContact O-N 2.82Å; L178-G182 PolarHBondContact O-N 3.5Å |
| 179 | C | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | 172.4 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | V33 Y95 T175 Y176 L183 | V33-C179 HydrophobicContact CG2-CB 3.94Å; Y95-C179 HydrophobicContact CD2-CB 4.09Å; Y95-C179 HydrophobicContact CG-CB 4.4Å; T175-C179 PolarHBondContact O-N 3.48Å; T175-C179 PolarHBondContact O-SG 2.96Å; Y176-C179 WeakPolarHBondContact O-CB 3.23Å; Y176-C179 PolarHBondContact O-N 3.29Å; C179-L183 PolarHBondContact O-N 3.48Å |
| 180 | G | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -49.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y176 N177 L178 G182 L183 I184 | Y176-G180 PolarHBondContact O-N 2.9Å; N177-G180 PolarHBondContact O-N 3.39Å; L178-G180 VanDerWaalsContact C-N 3.34Å; G180-G182 PolarHBondContact O-N 2.99Å; G180-L183 PolarHBondContact O-N 2.87Å; G180-I184 WeakPolarHBondContact O-CG1 3.33Å; G180-I184 PolarHBondContact O-N 2.8Å |
| 181 | A | 95.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 35 Ų | 35 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.3 | -41.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N177 L178 L183 I184 I185 | N177-A181 VanDerWaalsContact O-CB 3.31Å; N177-A181 WeakPolarHBondContact O-CB 3.49Å; N177-A181 PolarHBondContact O-N 3.36Å; L178-A181 PolarHBondContact O-N 2.82Å; A181-L183 VanDerWaalsContact C-N 3.29Å; A181-L183 PolarHBondContact O-N 2.93Å; A181-I184 PolarHBondContact O-N 3.12Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 3.16Å |
| 182 | G | 93.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L178 G180 I185 A186 | L178-G182 PolarHBondContact O-N 3.5Å; G180-G182 PolarHBondContact O-N 2.99Å; G182-I185 PolarHBondContact O-N 2.98Å; G182-A186 WeakPolarHBondContact O-CB 3.47Å; G182-A186 PolarHBondContact O-N 3.43Å |
| 183 | L | 94.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.9 | -36.5 | 176.6 | -171.2 | 55.9 | 0 | 0 | 0 | 112.7 | E26 A88 L91 A92 Y95 C179 G180 A181 A186 L187 | E26-L183 HydrophobicContact CB-CD1 4.01Å; E26-L183 HydrophobicContact CG-CD1 4.3Å; A88-L183 HydrophobicContact CB-CD1 4.15Å; A88-L183 HydrophobicContact CB-CD2 4.46Å; A88-L183 HydrophobicContact CB-CG 4.24Å; A88-L183 VanDerWaalsContact O-CD2 3.27Å; A88-L183 WeakPolarHBondContact O-CD2 3.32Å; L91-L183 HydrophobicContact CB-CD2 3.4Å; L91-L183 VanDerWaalsContact CB-CD2 3.4Å; L91-L183 HydrophobicContact CD1-CD2 4.14Å; L91-L183 HydrophobicContact CG-CD2 4.41Å; A92-L183 HydrophobicContact CB-CD2 4.31Å; Y95-L183 HydrophobicContact CE2-CD2 4.01Å; C179-L183 PolarHBondContact O-N 3.48Å; G180-L183 PolarHBondContact O-N 2.87Å; A181-L183 VanDerWaalsContact C-N 3.29Å; A181-L183 PolarHBondContact O-N 2.93Å; L183-A186 PolarHBondContact O-N 3.27Å; L183-L187 WeakPolarHBondContact O-CB 3.16Å; L183-L187 PolarHBondContact O-N 3.31Å |
| 184 | I | 96.3 | Very high | 95.1 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 28% | 0.282 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 172.6 | -64.1 | -58.5 | 0 | 0 | 0 | 111 | L89 A92 F96 G180 A181 A186 L187 L188 | L89-I184 HydrophobicContact CD2-CD1 4.25Å; A92-I184 HydrophobicContact CB-CD1 3.65Å; A92-I184 HydrophobicContact CB-CG1 4.03Å; F96-I184 HydrophobicContact CE2-CG1 4.36Å; F96-I184 HydrophobicContact CZ-CG1 4.4Å; G180-I184 WeakPolarHBondContact O-CG1 3.33Å; G180-I184 PolarHBondContact O-N 2.8Å; A181-I184 PolarHBondContact O-N 3.12Å; I184-A186 VanDerWaalsContact C-N 3.33Å; I184-A186 PolarHBondContact O-N 3.41Å; I184-L187 WeakPolarHBondContact O-CB 3.41Å; I184-L187 PolarHBondContact O-N 3.43Å; I184-L188 HydrophobicContact CG2-CD1 4.27Å; I184-L188 HydrophobicContact CG2-CG 4.43Å; I184-L188 WeakPolarHBondContact O-CG 3.17Å; I184-L188 PolarHBondContact O-N 3.18Å |
| 185 | I | 94.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 43.8 Ų | 43.8 | 46% | 0.456 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.5 | -68.5 | 166.1 | 0 | 0 | 0 | 110.3 | A181 G182 L187 L188 V189 | A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 3.16Å; G182-I185 PolarHBondContact O-N 2.98Å; I185-L187 VanDerWaalsContact C-N 3.27Å; I185-L187 PolarHBondContact O-N 3.47Å; I185-L188 PolarHBondContact O-N 3.38Å; I185-V189 WeakPolarHBondContact O-CG2 3.43Å; I185-V189 PolarHBondContact O-N 3.45Å |
| 186 | A | 93.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W25 G182 L183 I184 V189 Y190 | W25-A186 HydrophobicContact CB-CB 3.44Å; W25-A186 VanDerWaalsContact CB-CB 3.44Å; W25-A186 HydrophobicContact CG-CB 3.9Å; G182-A186 WeakPolarHBondContact O-CB 3.47Å; G182-A186 PolarHBondContact O-N 3.43Å; L183-A186 PolarHBondContact O-N 3.27Å; I184-A186 VanDerWaalsContact C-N 3.33Å; I184-A186 PolarHBondContact O-N 3.41Å; A186-V189 PolarHBondContact O-N 3.27Å; A186-Y190 WeakPolarHBondContact O-CB 3.44Å; A186-Y190 PolarHBondContact O-N 2.92Å |
| 187 | L | 94.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 176.2 | -176.6 | 61.5 | 0 | 0 | 0 | 112.6 | V85 A88 L89 L183 I184 I185 V189 Y190 I191 | V85-L187 HydrophobicContact CB-CD1 4.12Å; V85-L187 HydrophobicContact CG1-CD1 4.04Å; V85-L187 HydrophobicContact CG1-CD2 4.45Å; V85-L187 HydrophobicContact CG2-CD1 3.88Å; A88-L187 HydrophobicContact CB-CD1 4.44Å; L89-L187 HydrophobicContact CD1-CD2 4.4Å; L89-L187 HydrophobicContact CD2-CD2 3.46Å; L89-L187 VanDerWaalsContact CD2-CD2 3.46Å; L89-L187 HydrophobicContact CG-CD2 3.61Å; L183-L187 WeakPolarHBondContact O-CB 3.16Å; L183-L187 PolarHBondContact O-N 3.31Å; I184-L187 WeakPolarHBondContact O-CB 3.41Å; I184-L187 PolarHBondContact O-N 3.43Å; I185-L187 VanDerWaalsContact C-N 3.27Å; I185-L187 PolarHBondContact O-N 3.47Å; L187-V189 VanDerWaalsContact C-N 3.34Å; L187-Y190 HydrophobicContact CD1-CD1 4.25Å; L187-Y190 WeakPolarHBondContact O-CB 3.47Å; L187-Y190 PolarHBondContact O-N 2.8Å; L187-I191 HydrophobicContact CD1-CD1 4.35Å; L187-I191 HydrophobicContact CD1-CG1 4.44Å; L187-I191 HydrophobicContact CG-CD1 4.01Å; L187-I191 WeakPolarHBondContact O-CB 3.4Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.47Å; L187-I191 PolarHBondContact O-N 3.44Å |
| 188 | L | 95.3 | Very high | 93.9 | Very high | 108 Ų | 108 | 51 Ų | 51 | 57% | 0.565 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 175.2 | -70.3 | 173.7 | 0 | 0 | 0 | 111.3 | I184 I185 I191 A192 | I184-L188 HydrophobicContact CG2-CD1 4.27Å; I184-L188 HydrophobicContact CG2-CG 4.43Å; I184-L188 WeakPolarHBondContact O-CG 3.17Å; I184-L188 PolarHBondContact O-N 3.18Å; I185-L188 PolarHBondContact O-N 3.38Å; L188-I191 PolarHBondContact O-N 3.44Å; L188-A192 WeakPolarHBondContact O-CB 3.34Å; L188-A192 PolarHBondContact O-N 3.23Å |
| 189 | V | 93.3 | Very high | 93.6 | Very high | 51 Ų | 51 | 53.4 Ų | 53.4 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 173.6 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | F21 I185 A186 L187 I191 A192 C193 | F21-V189 HydrophobicContact CD1-CB 4.2Å; F21-V189 HydrophobicContact CD1-CG1 3.83Å; F21-V189 HydrophobicContact CE1-CB 3.76Å; F21-V189 HydrophobicContact CE1-CG1 3.74Å; F21-V189 HydrophobicContact CE1-CG2 3.79Å; F21-V189 HydrophobicContact CZ-CG2 4.29Å; I185-V189 WeakPolarHBondContact O-CG2 3.43Å; I185-V189 PolarHBondContact O-N 3.45Å; A186-V189 PolarHBondContact O-N 3.27Å; L187-V189 VanDerWaalsContact C-N 3.34Å; V189-I191 VanDerWaalsContact C-N 3.33Å; V189-I191 PolarHBondContact O-N 3.39Å; V189-A192 PolarHBondContact O-N 2.82Å; V189-C193 VanDerWaalsContact O-CB 3.29Å; V189-C193 WeakPolarHBondContact O-CB 3.39Å; V189-C193 PolarHBondContact O-N 3.22Å; V189-C193 PolarHBondContact O-SG 3.31Å |
| 190 | Y | 94.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 55 Ų | 55 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57 | -45.7 | 174.2 | 176.5 | -97.6 | 0 | 0 | 0 | 112 | M18 V22 K81 V85 A186 L187 A192 C193 R194 | M18-Y190 HydrophobicContact CG-CD2 4.15Å; M18-Y190 HydrophobicContact SD-CD2 3.41Å; M18-Y190 WeakPolarHBondContact SD-CD2 3.27Å; M18-Y190 HydrophobicContact SD-CE2 3.76Å; M18-Y190 HydrophobicContact SD-CG 4.29Å; V22-Y190 HydrophobicContact CG2-CD2 4Å; V22-Y190 HydrophobicContact CG2-CG 4.26Å; K81-Y190 WeakPolarHBondContact CA-OH 3.44Å; K81-Y190 VanDerWaalsContact CB-OH 3.28Å; K81-Y190 WeakPolarHBondContact CB-OH 3.4Å; K81-Y190 PolarHBondContact O-OH 3.01Å; V85-Y190 HydrophobicContact CG2-CD1 3.9Å; V85-Y190 HydrophobicContact CG2-CE1 3.5Å; V85-Y190 VanDerWaalsContact CG2-CE1 3.5Å; A186-Y190 WeakPolarHBondContact O-CB 3.44Å; A186-Y190 PolarHBondContact O-N 2.92Å; L187-Y190 HydrophobicContact CD1-CD1 4.25Å; L187-Y190 WeakPolarHBondContact O-CB 3.47Å; L187-Y190 PolarHBondContact O-N 2.8Å; Y190-A192 PolarHBondContact O-N 3Å; Y190-C193 CarbonylContact O-C 3.44Å; Y190-C193 PolarHBondContact O-N 2.88Å; Y190-R194 WeakPolarHBondContact O-CA 3.5Å; Y190-R194 WeakPolarHBondContact O-CB 3.16Å; Y190-R194 PolarHBondContact O-N 2.94Å |
| 191 | I | 93.9 | Very high | 93.1 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 178.9 | -70.2 | 167.1 | 0 | 0 | 0 | 110.9 | L187 L188 V189 C193 R194 | L187-I191 HydrophobicContact CD1-CD1 4.35Å; L187-I191 HydrophobicContact CD1-CG1 4.44Å; L187-I191 HydrophobicContact CG-CD1 4.01Å; L187-I191 WeakPolarHBondContact O-CB 3.4Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.47Å; L187-I191 PolarHBondContact O-N 3.44Å; L188-I191 PolarHBondContact O-N 3.44Å; V189-I191 VanDerWaalsContact C-N 3.33Å; V189-I191 PolarHBondContact O-N 3.39Å; I191-C193 VanDerWaalsContact C-N 3.33Å; I191-R194 WeakPolarHBondContact O-CD 3.4Å; I191-R194 WeakPolarHBondContact O-CG 3.35Å; I191-R194 PolarHBondContact O-NH1 3.39Å |
| 192 | A | 94.1 | Very high | 92.9 | Very high | 84 Ų | 84 | 54.1 Ų | 54.1 | 69% | 0.694 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.5 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L188 V189 Y190 | L188-A192 WeakPolarHBondContact O-CB 3.34Å; L188-A192 PolarHBondContact O-N 3.23Å; V189-A192 PolarHBondContact O-N 2.82Å; Y190-A192 PolarHBondContact O-N 3Å |
| 193 | C | 93.7 | Very high | 92.8 | Very high | 45 Ų | 45 | 60 Ų | 60 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -92.5 | -1.2 | -177.7 | -67.9 | 0 | 0 | 0 | 0 | 114.4 | M18 V189 Y190 I191 G195 M196 | M18-C193 HydrophobicContact CE-CB 3.96Å; M18-C193 WeakPolarHBondContact CE-O 3.41Å; M18-C193 HydrophobicContact CG-CB 3.94Å; M18-C193 HydrophobicContact SD-CB 3.98Å; V189-C193 VanDerWaalsContact O-CB 3.29Å; V189-C193 WeakPolarHBondContact O-CB 3.39Å; V189-C193 PolarHBondContact O-N 3.22Å; V189-C193 PolarHBondContact O-SG 3.31Å; Y190-C193 CarbonylContact O-C 3.44Å; Y190-C193 PolarHBondContact O-N 2.88Å; I191-C193 VanDerWaalsContact C-N 3.33Å; C193-G195 PolarHBondContact O-N 3.19Å; C193-M196 HydrophobicContact CB-SD 3.66Å; C193-M196 WeakPolarHBondContact O-CG 3.27Å; C193-M196 PolarHBondContact O-N 2.88Å |
| 194 | R | 91.3 | Very high | 92.8 | Very high | 153 Ų | 153 | 60.6 Ų | 60.6 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -53.6 | -25.7 | -172.5 | 73.8 | -173.5 | -179 | -95.9 | 6 | 114.6 | Y190 I191 M196 V197 K198 | Y190-R194 WeakPolarHBondContact O-CA 3.5Å; Y190-R194 WeakPolarHBondContact O-CB 3.16Å; Y190-R194 PolarHBondContact O-N 2.94Å; I191-R194 WeakPolarHBondContact O-CD 3.4Å; I191-R194 WeakPolarHBondContact O-CG 3.35Å; I191-R194 PolarHBondContact O-NH1 3.39Å; R194-M196 PolarHBondContact O-N 3.39Å; R194-V197 VanDerWaalsContact O-CG2 3.29Å; R194-V197 WeakPolarHBondContact O-CG2 3.27Å; R194-V197 PolarHBondContact O-N 3.28Å; R194-V197 VanDerWaalsContact O-N 3.12Å; R194-K198 PolarHBondContact O-N 3.49Å |
| 195 | G | 90.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 58% | 0.577 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -57.9 | -27.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C193 V197 K198 | C193-G195 PolarHBondContact O-N 3.19Å; G195-V197 VanDerWaalsContact C-N 3.26Å; G195-V197 PolarHBondContact O-N 3.04Å; G195-K198 WeakPolarHBondContact O-CB 3.36Å; G195-K198 PolarHBondContact O-N 3.42Å |
| 196 | M | 90.5 | Very high | 92.6 | Very high | 69 Ų | 69 | 60 Ų | 60 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -69.4 | -25.4 | 178.8 | -53.9 | 153.2 | 66.2 | 0 | 0 | 112.1 | R14 P15 M18 C193 R194 | R14-M196 HydrophobicContact CB-CE 3.6Å; R14-M196 HydrophobicContact CG-CE 4.39Å; R14-M196 WeakPolarHBondContact O-CE 3.4Å; P15-M196 WeakPolarHBondContact CG-O 3.37Å; M18-M196 HydrophobicContact CB-CE 4.43Å; M18-M196 HydrophobicContact CE-CB 3.51Å; M18-M196 HydrophobicContact CE-CE 4.41Å; M18-M196 HydrophobicContact CE-CG 4.12Å; M18-M196 HydrophobicContact CE-SD 3.81Å; C193-M196 HydrophobicContact CB-SD 3.66Å; C193-M196 WeakPolarHBondContact O-CG 3.27Å; C193-M196 PolarHBondContact O-N 2.88Å; R194-M196 PolarHBondContact O-N 3.39Å |
| 197 | V | 91.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -107.8 | 21.9 | 177 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | P15 M18 K81 L129 R194 G195 D199 I200 | P15-V197 HydrophobicContact CB-CG1 3.85Å; P15-V197 HydrophobicContact CG-CG1 4.39Å; M18-V197 HydrophobicContact CE-CG1 3.92Å; M18-V197 HydrophobicContact CE-CG2 4.09Å; M18-V197 HydrophobicContact SD-CG2 4.41Å; K81-V197 HydrophobicContact CD-CB 4.24Å; K81-V197 HydrophobicContact CD-CG2 3.81Å; K81-V197 WeakPolarHBondContact CD-O 3.41Å; K81-V197 HydrophobicContact CG-CG2 4.46Å; K81-V197 PolarHBondContact NZ-O 3.43Å; L129-V197 HydrophobicContact CD2-CG1 4.3Å; R194-V197 VanDerWaalsContact O-CG2 3.29Å; R194-V197 WeakPolarHBondContact O-CG2 3.27Å; R194-V197 PolarHBondContact O-N 3.28Å; R194-V197 VanDerWaalsContact O-N 3.12Å; G195-V197 VanDerWaalsContact C-N 3.26Å; G195-V197 PolarHBondContact O-N 3.04Å; V197-D199 VanDerWaalsContact C-N 3.32Å; V197-D199 PolarHBondContact O-N 2.84Å; V197-I200 PolarHBondContact O-N 2.97Å |
| 198 | K | 89.9 | Confident | 92.3 | Very high | 146 Ų | 146 | 72 Ų | 72 | 64% | 0.635 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -48.7 | -177.4 | -177 | -175.5 | 172.6 | -171.1 | 0 | 111.7 | K81 R194 G195 | K81-K198 PolarHBondContact NZ-O 2.92Å; R194-K198 PolarHBondContact O-N 3.49Å; G195-K198 WeakPolarHBondContact O-CB 3.36Å; G195-K198 PolarHBondContact O-N 3.42Å |
| 199 | D | 90.8 | Very high | 92.1 | Very high | 130 Ų | 130 | 71.3 Ų | 71.3 | 70% | 0.695 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 9 | -173.9 | -51 | -47.4 | 0 | 0 | 0 | 113.2 | V197 | V197-D199 VanDerWaalsContact C-N 3.32Å; V197-D199 PolarHBondContact O-N 2.84Å |
| 200 | I | 91.3 | Very high | 92 | Very high | 35 Ų | 35 | 71.3 Ų | 71.3 | 18% | 0.179 | 38% | 0.381 | C | S | . | . | trans | -119.9 | 133.7 | -178 | -54.7 | 166.6 | 0 | 0 | 0 | 108.6 | P15 K81 L129 K132 C133 V197 | P15-I200 HydrophobicContact CB-CD1 4.21Å; P15-I200 HydrophobicContact CG-CD1 3.72Å; K81-I200 WeakPolarHBondContact CD-O 3.31Å; K81-I200 WeakPolarHBondContact CE-O 3.22Å; K81-I200 PolarHBondContact NZ-O 2.9Å; L129-I200 HydrophobicContact CD1-CG2 3.97Å; K132-I200 HydrophobicContact CB-CG2 3.8Å; K132-I200 WeakPolarHBondContact O-CG2 3.47Å; C133-I200 HydrophobicContact CB-CD1 4.45Å; V197-I200 PolarHBondContact O-N 2.97Å | ||
| 201 | G | 91.8 | Very high | 91.9 | Very high | 14 Ų | 14 | 78 Ų | 78 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | S | Bend | trans | 157.9 | -178.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D205 F206 | G201-D205 WeakPolarHBondContact CA-OD2 3.42Å; G201-F206 WeakPolarHBondContact O-CE2 3.43Å |
| 202 | S | 92 | Very high | 92 | Very high | 7 Ų | 7 | 78 Ų | 78 | 5% | 0.049 | 42% | 0.416 | C | S | . | . | trans | -81 | 161.1 | 173.1 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | D75 T80 K132 P204 D205 F206 | D75-S202 PolarHBondContact OD1-OG 3.47Å; T80-S202 WeakPolarHBondContact CG2-OG 3.28Å; T80-S202 PolarHBondContact OG1-N 3.11Å; K132-S202 VanDerWaalsContact CE-OG 3.29Å; K132-S202 WeakPolarHBondContact CE-OG 3.14Å; K132-S202 PolarHBondContact NZ-OG 2.97Å; S202-P204 VanDerWaalsContact C-N 3.29Å; S202-P204 VanDerWaalsContact O-N 3.1Å; S202-D205 PolarHBondContact N-OD2 3.35Å; S202-D205 VanDerWaalsContact O-CB 3.23Å; S202-D205 WeakPolarHBondContact O-CB 3.25Å; S202-D205 PolarHBondContact O-N 2.94Å; S202-F206 WeakPolarHBondContact O-CD2 3.4Å | ||
| 203 | E | 92.2 | Very high | 92 | Very high | 129 Ų | 129 | 77.5 Ų | 77.5 | 60% | 0.603 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -47.1 | -42.3 | -178.3 | -177.6 | -177.3 | -166.2 | 0 | 0 | 114.5 | D205 F206 R207 | E203-D205 PolarHBondContact O-N 3.18Å; E203-F206 PolarHBondContact O-N 3.03Å; E203-R207 IonicContact OE1-CZ 3.12Å; E203-R207 IonicContact OE1-NE 2.79Å; E203-R207 IonicContact OE1-NH2 2.7Å; E203-R207 PolarHBondContact OE1-NH2 3.01Å |
| 204 | P | 93.9 | Very high | 92.1 | Very high | 12 Ų | 12 | 77.3 Ų | 77.3 | 8% | 0.078 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -66.8 | -20.8 | 178.7 | -19.2 | 32.5 | 0 | 0 | 0 | 114.5 | D75 R82 S202 F206 R207 | D75-P204 WeakPolarHBondContact O-CD 3.41Å; R82-P204 PolarHBondContact NH1-O 2.82Å; S202-P204 VanDerWaalsContact C-N 3.29Å; S202-P204 VanDerWaalsContact O-N 3.1Å; P204-F206 PolarHBondContact O-N 3.45Å; P204-R207 PolarHBondContact O-N 3.39Å |
| 205 | D | 93.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 73.6 Ų | 73.6 | 8% | 0.075 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -66.1 | -27.3 | 178.4 | -73.5 | -53 | 0 | 0 | 0 | 112.2 | G79 T80 K81 G201 S202 E203 | G79-D205 VanDerWaalsContact CA-CG 3.46Å; G79-D205 WeakPolarHBondContact CA-OD1 3.41Å; T80-D205 PolarHBondContact N-OD1 3.4Å; T80-D205 PolarHBondContact N-OD2 3.27Å; T80-D205 PolarHBondContact OG1-OD2 3.1Å; K81-D205 WeakPolarHBondContact CB-OD1 3.28Å; K81-D205 PolarHBondContact N-OD1 3.47Å; K81-D205 PolarHBondContact N-OD2 2.82Å; G201-D205 WeakPolarHBondContact CA-OD2 3.42Å; S202-D205 PolarHBondContact N-OD2 3.35Å; S202-D205 VanDerWaalsContact O-CB 3.23Å; S202-D205 WeakPolarHBondContact O-CB 3.25Å; S202-D205 PolarHBondContact O-N 2.94Å; E203-D205 PolarHBondContact O-N 3.18Å |
| 206 | F | 94.3 | Very high | 92.6 | Very high | 117 Ų | 117 | 78.8 Ų | 78.8 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -92.1 | -7.9 | -177.8 | -55.7 | -68.3 | 0 | 0 | 0 | 113.7 | G201 S202 E203 P204 | G201-F206 WeakPolarHBondContact O-CE2 3.43Å; S202-F206 WeakPolarHBondContact O-CD2 3.4Å; E203-F206 PolarHBondContact O-N 3.03Å; P204-F206 PolarHBondContact O-N 3.45Å |
| 207 | R | 91.8 | Very high | 93 | Very high | 145 Ų | 145 | 76 Ų | 76 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -97.4 | 151.9 | 176 | -61.5 | -178.3 | -176.7 | -159 | 0.8 | 110 | R82 E203 P204 | R82-R207 PolarHBondContact NH1-O 3.03Å; R82-R207 PolarHBondContact NH2-O 3.23Å; E203-R207 IonicContact OE1-CZ 3.12Å; E203-R207 IonicContact OE1-NE 2.79Å; E203-R207 IonicContact OE1-NH2 2.7Å; E203-R207 PolarHBondContact OE1-NH2 3.01Å; P204-R207 PolarHBondContact O-N 3.39Å |
| 208 | P | 90.2 | Very high | 93.3 | Very high | 122 Ų | 122 | 79.6 Ų | 79.6 | 79% | 0.792 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 144.4 | 170.9 | 24.9 | -33.7 | 0 | 0 | 0 | 110.1 | S210 | P208-S210 PolarHBondContact O-N 3.43Å; P208-S210 VanDerWaalsContact O-N 3.14Å |
| 209 | M | 89.5 | Confident | 93.6 | Very high | 92 Ų | 92 | 77.2 Ų | 77.2 | 45% | 0.453 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 118.1 | -176.5 | -174.4 | -177.9 | -71.7 | 0 | 0 | 109.8 | R82 F211 L214 | R82-M209 HydrophobicContact CG-CE 3.84Å; M209-F211 PolarHBondContact O-N 3.17Å; M209-L214 HydrophobicContact SD-CB 4.38Å; M209-L214 HydrophobicContact SD-CD1 4.44Å; M209-L214 HydrophobicContact SD-CD2 3.77Å; M209-L214 HydrophobicContact SD-CG 4.42Å |
| 210 | S | 91.6 | Very high | 94 | Very high | 52 Ų | 52 | 72.6 Ų | 72.6 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | trans | -72 | 113.7 | 171.6 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | P208 S212 K213 L214 | P208-S210 PolarHBondContact O-N 3.43Å; P208-S210 VanDerWaalsContact O-N 3.14Å; S210-S212 PolarHBondContact O-N 3.24Å; S210-K213 PolarHBondContact O-N 3.14Å; S210-K213 PolarHBondContact OG-N 3Å; S210-L214 PolarHBondContact O-N 3.45Å | ||
| 211 | F | 93.3 | Very high | 94.3 | Very high | 150 Ų | 150 | 71.5 Ų | 71.5 | 66% | 0.658 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58.6 | -37.9 | 178.1 | -173.8 | -100.7 | 0 | 0 | 0 | 112 | M209 L214 L215 | M209-F211 PolarHBondContact O-N 3.17Å; F211-L214 PolarHBondContact O-N 2.87Å; F211-L215 WeakPolarHBondContact O-CB 3.41Å; F211-L215 PolarHBondContact O-N 2.89Å |
| 212 | S | 94.8 | Very high | 94.6 | Very high | 65 Ų | 65 | 74.5 Ų | 74.5 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.8 | -48.4 | 0 | 0 | 0 | 0 | 112 | S210 L215 Y216 | S210-S212 PolarHBondContact O-N 3.24Å; S212-L215 PolarHBondContact O-N 3.46Å; S212-Y216 WeakPolarHBondContact O-CD2 3.21Å; S212-Y216 VanDerWaalsContact O-CG 3.27Å; S212-Y216 PolarHBondContact O-N 2.9Å |
| 213 | K | 94.3 | Very high | 94.9 | Very high | 75 Ų | 75 | 78.4 Ų | 78.4 | 33% | 0.326 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 176.7 | -67.6 | -171.5 | -179.2 | -172.3 | 0 | 111.7 | H76 L77 L78 S210 Y216 V217 | H76-K213 PolarHBondContact O-NZ 3.26Å; L77-K213 HydrophobicContact CD2-CD 4.3Å; L77-K213 HydrophobicContact CD2-CG 4.45Å; L77-K213 VanDerWaalsContact O-CD 3.22Å; L77-K213 WeakPolarHBondContact O-CD 3.46Å; L78-K213 HydrophobicContact CD2-CB 4.1Å; S210-K213 PolarHBondContact O-N 3.14Å; S210-K213 PolarHBondContact OG-N 3Å; K213-Y216 PolarHBondContact O-N 3.45Å; K213-V217 WeakPolarHBondContact O-CG2 3.28Å; K213-V217 PolarHBondContact O-N 3.39Å |
| 214 | L | 96.1 | Very high | 95.2 | Very high | 40 Ų | 40 | 75.2 Ų | 75.2 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 174.7 | 178.9 | 66.7 | 0 | 0 | 0 | 110.8 | L78 M209 S210 F211 Y216 V217 L218 | L78-L214 HydrophobicContact CD1-CD1 4.36Å; L78-L214 HydrophobicContact CD2-CB 4.35Å; M209-L214 HydrophobicContact SD-CB 4.38Å; M209-L214 HydrophobicContact SD-CD1 4.44Å; M209-L214 HydrophobicContact SD-CD2 3.77Å; M209-L214 HydrophobicContact SD-CG 4.42Å; S210-L214 PolarHBondContact O-N 3.45Å; F211-L214 PolarHBondContact O-N 2.87Å; L214-Y216 PolarHBondContact O-N 2.7Å; L214-V217 PolarHBondContact O-N 3.35Å; L214-L218 HydrophobicContact CD1-CD1 4.15Å; L214-L218 HydrophobicContact CD1-CG 4.17Å; L214-L218 HydrophobicContact CD2-CD1 4.38Å; L214-L218 HydrophobicContact CG-CD1 3.87Å; L214-L218 HydrophobicContact CG-CG 4.29Å; L214-L218 WeakPolarHBondContact O-CB 3.43Å; L214-L218 WeakPolarHBondContact O-CG 3.16Å; L214-L218 PolarHBondContact O-N 3.41Å |
| 215 | L | 96.7 | Very high | 95.4 | Very high | 76 Ų | 76 | 75.5 Ų | 75.5 | 40% | 0.398 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 179.2 | -176.2 | 63.7 | 0 | 0 | 0 | 111.8 | F211 S212 V217 L218 L219 | F211-L215 WeakPolarHBondContact O-CB 3.41Å; F211-L215 PolarHBondContact O-N 2.89Å; S212-L215 PolarHBondContact O-N 3.46Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-V217 PolarHBondContact O-N 2.96Å; L215-L218 PolarHBondContact O-N 3.34Å; L215-L219 HydrophobicContact CD1-CD1 4.05Å; L215-L219 HydrophobicContact CD1-CG 4.07Å; L215-L219 HydrophobicContact CG-CD1 3.91Å; L215-L219 HydrophobicContact CG-CG 4.32Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 2.82Å |
| 216 | Y | 96.4 | Very high | 95.6 | Very high | 164 Ų | 164 | 80.6 Ų | 80.6 | 64% | 0.643 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.4 | -41.5 | 175.8 | -66.4 | -42.3 | 0 | 0 | 0 | 112.7 | S212 K213 L214 G220 | S212-Y216 WeakPolarHBondContact O-CD2 3.21Å; S212-Y216 VanDerWaalsContact O-CG 3.27Å; S212-Y216 PolarHBondContact O-N 2.9Å; K213-Y216 PolarHBondContact O-N 3.45Å; L214-Y216 PolarHBondContact O-N 2.7Å; Y216-G220 WeakPolarHBondContact O-CA 3.35Å; Y216-G220 PolarHBondContact O-N 3.25Å |
| 217 | V | 97.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 77.7 Ų | 77.7 | 7% | 0.073 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 178.1 | 176.1 | 0 | 0 | 0 | 0 | 111 | V73 L77 L78 L86 L121 K213 L214 L215 S221 | V73-V217 HydrophobicContact CG1-CG1 3.93Å; V73-V217 HydrophobicContact CG1-CG2 3.89Å; L77-V217 HydrophobicContact CB-CG2 4.48Å; L77-V217 HydrophobicContact CD1-CG2 4.43Å; L78-V217 HydrophobicContact CD1-CB 3.88Å; L78-V217 HydrophobicContact CD1-CG1 3.74Å; L78-V217 HydrophobicContact CD1-CG2 3.96Å; L78-V217 HydrophobicContact CD2-CG2 4.2Å; L78-V217 HydrophobicContact CG-CB 4.38Å; L78-V217 HydrophobicContact CG-CG2 3.93Å; L86-V217 HydrophobicContact CD2-CG1 3.6Å; L121-V217 HydrophobicContact CD2-CG1 4.42Å; K213-V217 WeakPolarHBondContact O-CG2 3.28Å; K213-V217 PolarHBondContact O-N 3.39Å; L214-V217 PolarHBondContact O-N 3.35Å; L215-V217 VanDerWaalsContact C-N 3.34Å; L215-V217 PolarHBondContact O-N 2.96Å; V217-S221 VanDerWaalsContact O-CB 3.27Å; V217-S221 WeakPolarHBondContact O-CB 3.31Å; V217-S221 PolarHBondContact O-N 3.37Å; V217-S221 PolarHBondContact O-OG 2.94Å |
| 218 | L | 97.7 | Very high | 96 | Very high | 74 Ų | 74 | 70.8 Ų | 70.8 | 39% | 0.387 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -50.2 | 176.5 | -71.6 | 175 | 0 | 0 | 0 | 111.7 | L86 L214 L215 S221 V222 | L86-L218 HydrophobicContact CD1-CD2 3.71Å; L214-L218 HydrophobicContact CD1-CD1 4.15Å; L214-L218 HydrophobicContact CD1-CG 4.17Å; L214-L218 HydrophobicContact CD2-CD1 4.38Å; L214-L218 HydrophobicContact CG-CD1 3.87Å; L214-L218 HydrophobicContact CG-CG 4.29Å; L214-L218 WeakPolarHBondContact O-CB 3.43Å; L214-L218 WeakPolarHBondContact O-CG 3.16Å; L214-L218 PolarHBondContact O-N 3.41Å; L215-L218 PolarHBondContact O-N 3.34Å; L218-S221 WeakPolarHBondContact O-CB 3.38Å; L218-S221 PolarHBondContact O-N 3.48Å; L218-V222 WeakPolarHBondContact O-CG2 3.27Å; L218-V222 PolarHBondContact O-N 3.41Å |
| 219 | L | 97.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 65.5 Ų | 65.5 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.5 | -70.6 | 176 | 0 | 0 | 0 | 111.2 | L215 S221 V222 V223 | L215-L219 HydrophobicContact CD1-CD1 4.05Å; L215-L219 HydrophobicContact CD1-CG 4.07Å; L215-L219 HydrophobicContact CG-CD1 3.91Å; L215-L219 HydrophobicContact CG-CG 4.32Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 2.82Å; L219-S221 VanDerWaalsContact C-N 3.3Å; L219-S221 PolarHBondContact O-N 2.86Å; L219-V222 PolarHBondContact O-N 2.92Å; L219-V223 WeakPolarHBondContact O-CG2 3.36Å; L219-V223 PolarHBondContact O-N 3.48Å |
| 220 | G | 97.7 | Very high | 96.6 | Very high | 32 Ų | 32 | 67.5 Ų | 67.5 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y216 V223 M224 | Y216-G220 WeakPolarHBondContact O-CA 3.35Å; Y216-G220 PolarHBondContact O-N 3.25Å; G220-V223 PolarHBondContact O-N 3.29Å; G220-M224 VanDerWaalsContact O-CB 3.26Å; G220-M224 WeakPolarHBondContact O-CB 3.34Å; G220-M224 WeakPolarHBondContact O-CG 3.47Å; G220-M224 PolarHBondContact O-N 3.1Å |
| 221 | S | 98.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 66 Ų | 66 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 111 | V217 L218 L219 V223 M224 I225 | V217-S221 VanDerWaalsContact O-CB 3.27Å; V217-S221 WeakPolarHBondContact O-CB 3.31Å; V217-S221 PolarHBondContact O-N 3.37Å; V217-S221 PolarHBondContact O-OG 2.94Å; L218-S221 WeakPolarHBondContact O-CB 3.38Å; L218-S221 PolarHBondContact O-N 3.48Å; L219-S221 VanDerWaalsContact C-N 3.3Å; L219-S221 PolarHBondContact O-N 2.86Å; S221-V223 PolarHBondContact O-N 3.29Å; S221-M224 PolarHBondContact O-N 3.06Å; S221-I225 VanDerWaalsContact O-CG1 3.22Å; S221-I225 WeakPolarHBondContact O-CG1 3.34Å; S221-I225 PolarHBondContact O-N 3.03Å |
| 222 | V | 98.2 | Very high | 96.9 | Very high | 77 Ų | 77 | 59.1 Ų | 59.1 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | L218 L219 M224 I225 F226 | L218-V222 WeakPolarHBondContact O-CG2 3.27Å; L218-V222 PolarHBondContact O-N 3.41Å; L219-V222 PolarHBondContact O-N 2.92Å; V222-M224 VanDerWaalsContact C-N 3.35Å; V222-M224 PolarHBondContact O-N 2.69Å; V222-I225 WeakPolarHBondContact O-CB 3.43Å; V222-I225 PolarHBondContact O-N 3.23Å; V222-F226 HydrophobicContact CG1-CD2 4.11Å; V222-F226 HydrophobicContact CG1-CE2 3.76Å; V222-F226 WeakPolarHBondContact O-CD2 3.35Å; V222-F226 PolarHBondContact O-N 3.44Å |
| 223 | V | 98.3 | Very high | 96.7 | Very high | 89 Ų | 89 | 62.9 Ų | 62.9 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L219 G220 S221 I225 F226 V227 | L219-V223 WeakPolarHBondContact O-CG2 3.36Å; L219-V223 PolarHBondContact O-N 3.48Å; G220-V223 PolarHBondContact O-N 3.29Å; S221-V223 PolarHBondContact O-N 3.29Å; V223-I225 VanDerWaalsContact C-N 3.28Å; V223-I225 PolarHBondContact O-N 3.14Å; V223-F226 PolarHBondContact O-N 3.04Å; V223-F226 VanDerWaalsContact O-N 3.16Å; V223-V227 HydrophobicContact CG1-CG2 4.2Å; V223-V227 WeakPolarHBondContact O-CG2 3.49Å; V223-V227 PolarHBondContact O-N 3.43Å |
| 224 | M | 98.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.8 | -33 | 179.1 | -75.8 | -56.3 | -55.8 | 0 | 0 | 112.8 | L66 V117 G220 S221 V222 V227 C228 | L66-M224 HydrophobicContact CD2-CE 3.65Å; V117-M224 HydrophobicContact CG2-CB 3.69Å; G220-M224 VanDerWaalsContact O-CB 3.26Å; G220-M224 WeakPolarHBondContact O-CB 3.34Å; G220-M224 WeakPolarHBondContact O-CG 3.47Å; G220-M224 PolarHBondContact O-N 3.1Å; S221-M224 PolarHBondContact O-N 3.06Å; V222-M224 VanDerWaalsContact C-N 3.35Å; V222-M224 PolarHBondContact O-N 2.69Å; M224-V227 PolarHBondContact O-N 2.83Å; M224-C228 VanDerWaalsContact O-CB 3.32Å; M224-C228 WeakPolarHBondContact O-CB 3.29Å; M224-C228 PolarHBondContact O-N 3.42Å; M224-C228 PolarHBondContact O-SG 3.14Å |
| 225 | I | 98.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60 | -48.1 | 174.1 | -71 | 169.4 | 0 | 0 | 0 | 110.4 | I110 T114 V117 S221 V222 V223 C228 A229 | I110-I225 HydrophobicContact CG2-CG2 3.85Å; T114-I225 HydrophobicContact CG2-CD1 4.04Å; T114-I225 WeakPolarHBondContact OG1-CG2 3.35Å; V117-I225 HydrophobicContact CB-CG1 3.99Å; V117-I225 HydrophobicContact CG1-CG1 4.38Å; V117-I225 HydrophobicContact CG2-CG1 3.83Å; S221-I225 VanDerWaalsContact O-CG1 3.22Å; S221-I225 WeakPolarHBondContact O-CG1 3.34Å; S221-I225 PolarHBondContact O-N 3.03Å; V222-I225 WeakPolarHBondContact O-CB 3.43Å; V222-I225 PolarHBondContact O-N 3.23Å; V223-I225 VanDerWaalsContact C-N 3.28Å; V223-I225 PolarHBondContact O-N 3.14Å; I225-C228 PolarHBondContact O-N 3.44Å; I225-A229 WeakPolarHBondContact O-CB 3.42Å; I225-A229 PolarHBondContact O-N 3.17Å |
| 226 | F | 97.9 | Very high | 95.9 | Very high | 120 Ų | 120 | 65.8 Ų | 65.8 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.3 | -36.1 | 178.4 | -70.1 | -71.1 | 0 | 0 | 0 | 112.5 | I110 V222 V223 A229 W230 | I110-F226 HydrophobicContact CD1-CE1 4.27Å; V222-F226 HydrophobicContact CG1-CD2 4.11Å; V222-F226 HydrophobicContact CG1-CE2 3.76Å; V222-F226 WeakPolarHBondContact O-CD2 3.35Å; V222-F226 PolarHBondContact O-N 3.44Å; V223-F226 PolarHBondContact O-N 3.04Å; V223-F226 VanDerWaalsContact O-N 3.16Å; F226-A229 PolarHBondContact O-N 3.29Å; F226-W230 VanDerWaalsContact O-CB 3.26Å; F226-W230 WeakPolarHBondContact O-CB 3.26Å; F226-W230 PolarHBondContact O-N 3.45Å |
| 227 | V | 97.2 | Very high | 95.7 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 35% | 0.345 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 172.6 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | V223 M224 W230 L231 | V223-V227 HydrophobicContact CG1-CG2 4.2Å; V223-V227 WeakPolarHBondContact O-CG2 3.49Å; V223-V227 PolarHBondContact O-N 3.43Å; M224-V227 PolarHBondContact O-N 2.83Å; V227-W230 PolarHBondContact O-N 3.01Å; V227-L231 HydrophobicContact CG1-CD1 3.91Å; V227-L231 HydrophobicContact CG1-CG 4.28Å; V227-L231 WeakPolarHBondContact O-CB 3.48Å; V227-L231 VanDerWaalsContact O-CG 3.25Å; V227-L231 WeakPolarHBondContact O-CG 3.38Å; V227-L231 PolarHBondContact O-N 2.87Å |
| 228 | C | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 175.7 | -75.5 | 0 | 0 | 0 | 0 | 111.9 | L62 M224 I225 W230 L231 M232 | L62-C228 HydrophobicContact CD1-CB 3.91Å; M224-C228 VanDerWaalsContact O-CB 3.32Å; M224-C228 WeakPolarHBondContact O-CB 3.29Å; M224-C228 PolarHBondContact O-N 3.42Å; M224-C228 PolarHBondContact O-SG 3.14Å; I225-C228 PolarHBondContact O-N 3.44Å; C228-W230 VanDerWaalsContact C-N 3.31Å; C228-W230 PolarHBondContact O-N 2.99Å; C228-L231 PolarHBondContact O-N 2.98Å; C228-M232 WeakPolarHBondContact O-CE 3.43Å; C228-M232 PolarHBondContact O-N 3.3Å |
| 229 | A | 96.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F109 I110 I225 F226 M232 H233 | F109-A229 HydrophobicContact CB-CB 4.16Å; F109-A229 WeakPolarHBondContact O-CB 3.28Å; I110-A229 HydrophobicContact CG1-CB 4.37Å; I225-A229 WeakPolarHBondContact O-CB 3.42Å; I225-A229 PolarHBondContact O-N 3.17Å; F226-A229 PolarHBondContact O-N 3.29Å; A229-M232 PolarHBondContact O-N 3.45Å; A229-H233 PolarHBondContact O-N 3.37Å |
| 230 | W | 96 | Very high | 94.9 | Very high | 134 Ų | 134 | 60 Ų | 60 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 177.1 | 179.6 | 83.6 | 0 | 0 | 0 | 112.7 | F226 V227 C228 M232 H233 N234 V237 | F226-W230 VanDerWaalsContact O-CB 3.26Å; F226-W230 WeakPolarHBondContact O-CB 3.26Å; F226-W230 PolarHBondContact O-N 3.45Å; V227-W230 PolarHBondContact O-N 3.01Å; C228-W230 VanDerWaalsContact C-N 3.31Å; C228-W230 PolarHBondContact O-N 2.99Å; W230-M232 VanDerWaalsContact C-N 3.32Å; W230-M232 PolarHBondContact O-N 3.48Å; W230-H233 PolarHBondContact O-N 2.89Å; W230-N234 HydrophobicContact CZ2-CB 4.45Å; W230-N234 PolarHBondContact NE1-ND2 2.95Å; W230-N234 PolarHBondContact O-N 3.25Å; W230-N234 PolarHBondContact O-ND2 3.5Å; W230-V237 HydrophobicContact CH2-CB 4.2Å; W230-V237 HydrophobicContact CH2-CG1 3.76Å; W230-V237 HydrophobicContact CH2-CG2 4.15Å; W230-V237 HydrophobicContact CZ3-CB 4.34Å; W230-V237 HydrophobicContact CZ3-CG1 3.81Å |
| 231 | L | 95.5 | Very high | 94.6 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 176.2 | -74.7 | 173.2 | 0 | 0 | 0 | 112.2 | L62 V227 C228 H233 N234 V235 V237 A238 | L62-L231 HydrophobicContact CD2-CD1 3.94Å; V227-L231 HydrophobicContact CG1-CD1 3.91Å; V227-L231 HydrophobicContact CG1-CG 4.28Å; V227-L231 WeakPolarHBondContact O-CB 3.48Å; V227-L231 VanDerWaalsContact O-CG 3.25Å; V227-L231 WeakPolarHBondContact O-CG 3.38Å; V227-L231 PolarHBondContact O-N 2.87Å; C228-L231 PolarHBondContact O-N 2.98Å; L231-H233 VanDerWaalsContact C-N 3.32Å; L231-N234 CarbonylContact O-C 3.58Å; L231-N234 PolarHBondContact O-N 2.95Å; L231-V235 PolarHBondContact O-N 3.25Å; L231-V237 HydrophobicContact CD2-CG1 4.23Å; L231-A238 HydrophobicContact CB-CB 4.17Å; L231-A238 HydrophobicContact CD2-CB 4.18Å |
| 232 | M | 94 | Very high | 94.4 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.5 | -27.8 | 174.6 | -71.8 | -179 | -69.8 | 0 | 0 | 112.8 | A58 F59 L62 F109 L112 C228 A229 W230 V235 | A58-M232 HydrophobicContact CB-CG 4.21Å; F59-M232 HydrophobicContact CB-SD 3.93Å; L62-M232 HydrophobicContact CD1-CE 4.43Å; L62-M232 HydrophobicContact CD1-CG 3.73Å; L62-M232 HydrophobicContact CD1-SD 4.17Å; F109-M232 HydrophobicContact CB-CE 4.43Å; F109-M232 HydrophobicContact CD1-CB 3.6Å; F109-M232 HydrophobicContact CD1-CE 4.38Å; F109-M232 HydrophobicContact CD1-SD 4.43Å; F109-M232 HydrophobicContact CE1-CB 4.01Å; F109-M232 WeakPolarHBondContact O-CE 3.33Å; L112-M232 HydrophobicContact CB-CE 3.63Å; L112-M232 HydrophobicContact CB-SD 3.83Å; L112-M232 HydrophobicContact CD1-SD 4.03Å; C228-M232 WeakPolarHBondContact O-CE 3.43Å; C228-M232 PolarHBondContact O-N 3.3Å; A229-M232 PolarHBondContact O-N 3.45Å; W230-M232 VanDerWaalsContact C-N 3.32Å; W230-M232 PolarHBondContact O-N 3.48Å; M232-V235 VanDerWaalsContact O-CG2 3.3Å; M232-V235 WeakPolarHBondContact O-CG2 3.39Å |
| 233 | H | 90.6 | Very high | 94.2 | Very high | 143 Ų | 143 | 63.2 Ų | 63.2 | 66% | 0.662 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -75.6 | -28.4 | 170.4 | -160.8 | 79 | 0 | 0 | 0 | 112.1 | A229 W230 L231 | A229-H233 PolarHBondContact O-N 3.37Å; W230-H233 PolarHBondContact O-N 2.89Å; L231-H233 VanDerWaalsContact C-N 3.32Å |
| 234 | N | 93 | Very high | 94.1 | Very high | 53 Ų | 53 | 62.5 Ų | 62.5 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | trans | -117.3 | 62 | -177.6 | -61.5 | -89.9 | 0 | 0 | 0 | 110.6 | W230 L231 E236 V237 A238 | W230-N234 HydrophobicContact CZ2-CB 4.45Å; W230-N234 PolarHBondContact NE1-ND2 2.95Å; W230-N234 PolarHBondContact O-N 3.25Å; W230-N234 PolarHBondContact O-ND2 3.5Å; L231-N234 CarbonylContact O-C 3.58Å; L231-N234 PolarHBondContact O-N 2.95Å; N234-E236 PolarHBondContact O-N 3.4Å; N234-E236 VanDerWaalsContact O-N 3.15Å; N234-V237 HydrophobicContact CB-CB 4.18Å; N234-V237 HydrophobicContact CB-CG2 3.98Å; N234-V237 WeakPolarHBondContact O-CA 3.33Å; N234-V237 WeakPolarHBondContact O-CB 3.44Å; N234-V237 PolarHBondContact O-N 3.09Å; N234-A238 PolarHBondContact O-N 3.27Å; N234-A238 VanDerWaalsContact O-N 3.12Å | ||
| 235 | V | 88.4 | Confident | 93.9 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.4 | -33.2 | -173.4 | -180 | 0 | 0 | 0 | 0 | 112.3 | V54 A58 L231 M232 V237 A238 N239 | V54-V235 HydrophobicContact CG1-CB 4.39Å; V54-V235 HydrophobicContact CG1-CG1 3.99Å; V54-V235 HydrophobicContact CG1-CG2 3.94Å; A58-V235 HydrophobicContact CB-CG2 4.41Å; L231-V235 PolarHBondContact O-N 3.25Å; M232-V235 VanDerWaalsContact O-CG2 3.3Å; M232-V235 WeakPolarHBondContact O-CG2 3.39Å; V235-V237 VanDerWaalsContact C-N 3.29Å; V235-V237 PolarHBondContact O-N 3.33Å; V235-A238 WeakPolarHBondContact O-CB 3.43Å; V235-A238 PolarHBondContact O-N 3.06Å; V235-A238 VanDerWaalsContact O-N 3.15Å; V235-N239 PolarHBondContact O-N 3.14Å; V235-N239 PolarHBondContact O-OD1 2.92Å |
| 236 | E | 90.4 | Very high | 93.7 | Very high | 166 Ų | 166 | 64.2 Ų | 64.2 | 78% | 0.776 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.6 | -39.9 | 174.3 | -63.1 | -174.1 | 171.3 | 0 | 0 | 112.6 | N234 N239 L240 | N234-E236 PolarHBondContact O-N 3.4Å; N234-E236 VanDerWaalsContact O-N 3.15Å; E236-N239 WeakPolarHBondContact O-CB 3.31Å; E236-N239 PolarHBondContact O-N 3.36Å; E236-L240 PolarHBondContact O-N 2.92Å |
| 237 | V | 92.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 63 Ų | 63 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 175 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | W230 L231 N234 V235 N239 L240 V241 | W230-V237 HydrophobicContact CH2-CB 4.2Å; W230-V237 HydrophobicContact CH2-CG1 3.76Å; W230-V237 HydrophobicContact CH2-CG2 4.15Å; W230-V237 HydrophobicContact CZ3-CB 4.34Å; W230-V237 HydrophobicContact CZ3-CG1 3.81Å; L231-V237 HydrophobicContact CD2-CG1 4.23Å; N234-V237 HydrophobicContact CB-CB 4.18Å; N234-V237 HydrophobicContact CB-CG2 3.98Å; N234-V237 WeakPolarHBondContact O-CA 3.33Å; N234-V237 WeakPolarHBondContact O-CB 3.44Å; N234-V237 PolarHBondContact O-N 3.09Å; V235-V237 VanDerWaalsContact C-N 3.29Å; V235-V237 PolarHBondContact O-N 3.33Å; V237-N239 VanDerWaalsContact C-N 3.28Å; V237-N239 PolarHBondContact O-N 3.15Å; V237-L240 PolarHBondContact O-N 3.01Å; V237-V241 HydrophobicContact CG1-CG2 4.3Å; V237-V241 WeakPolarHBondContact O-CG2 3.46Å; V237-V241 PolarHBondContact O-N 3.14Å |
| 238 | A | 89.8 | Confident | 93.7 | Very high | 14 Ų | 14 | 63.6 Ų | 63.6 | 12% | 0.116 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L231 N234 V235 V241 L242 | L231-A238 HydrophobicContact CB-CB 4.17Å; L231-A238 HydrophobicContact CD2-CB 4.18Å; N234-A238 PolarHBondContact O-N 3.27Å; N234-A238 VanDerWaalsContact O-N 3.12Å; V235-A238 WeakPolarHBondContact O-CB 3.43Å; V235-A238 PolarHBondContact O-N 3.06Å; V235-A238 VanDerWaalsContact O-N 3.15Å; A238-V241 PolarHBondContact O-N 3.01Å; A238-L242 WeakPolarHBondContact O-CB 3.17Å; A238-L242 PolarHBondContact O-N 3.15Å |
| 239 | N | 91.5 | Very high | 93.6 | Very high | 53 Ų | 53 | 64.9 Ų | 64.9 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 175.4 | -66.7 | -8.5 | 0 | 0 | 0 | 111.2 | V235 E236 V237 V241 L242 I243 L429 | V235-N239 PolarHBondContact O-N 3.14Å; V235-N239 PolarHBondContact O-OD1 2.92Å; E236-N239 WeakPolarHBondContact O-CB 3.31Å; E236-N239 PolarHBondContact O-N 3.36Å; V237-N239 VanDerWaalsContact C-N 3.28Å; V237-N239 PolarHBondContact O-N 3.15Å; N239-V241 PolarHBondContact O-N 2.9Å; N239-L242 PolarHBondContact O-N 3.31Å; N239-I243 WeakPolarHBondContact O-CB 3.32Å; N239-I243 VanDerWaalsContact O-CG1 3.22Å; N239-I243 WeakPolarHBondContact O-CG1 3.32Å; N239-I243 PolarHBondContact O-N 3.47Å; N239-L429 WeakPolarHBondContact OD1-CD1 2.96Å; N239-L429 WeakPolarHBondContact OD1-CD2 3.26Å; N239-L429 WeakPolarHBondContact OD1-CG 3.16Å |
| 240 | L | 93.7 | Very high | 93.6 | Very high | 108 Ų | 108 | 66.3 Ų | 66.3 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.2 | -47 | 178.7 | -179.3 | 63.4 | 0 | 0 | 0 | 111.6 | E236 V237 L242 I243 V244 | E236-L240 PolarHBondContact O-N 2.92Å; V237-L240 PolarHBondContact O-N 3.01Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 2.96Å; L240-I243 PolarHBondContact O-N 3.12Å; L240-V244 HydrophobicContact CD1-CG2 4.27Å; L240-V244 VanDerWaalsContact O-CG2 3.31Å; L240-V244 WeakPolarHBondContact O-CG2 3.42Å; L240-V244 PolarHBondContact O-N 3.18Å |
| 241 | V | 91.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 65 Ų | 65 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 177 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | V237 A238 N239 V244 L245 | V237-V241 HydrophobicContact CG1-CG2 4.3Å; V237-V241 WeakPolarHBondContact O-CG2 3.46Å; V237-V241 PolarHBondContact O-N 3.14Å; A238-V241 PolarHBondContact O-N 3.01Å; N239-V241 PolarHBondContact O-N 2.9Å; V241-V244 PolarHBondContact O-N 2.96Å; V241-L245 HydrophobicContact CG1-CD1 3.87Å; V241-L245 HydrophobicContact CG1-CG 4.38Å; V241-L245 WeakPolarHBondContact O-CB 3.35Å; V241-L245 VanDerWaalsContact O-CG 3.29Å; V241-L245 WeakPolarHBondContact O-CG 3.32Å; V241-L245 PolarHBondContact O-N 3.08Å |
| 242 | L | 92.6 | Very high | 93.8 | Very high | 25 Ų | 25 | 66.5 Ų | 66.5 | 13% | 0.131 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | -179.3 | -172 | 57.5 | 0 | 0 | 0 | 112.5 | A238 N239 L240 S246 L422 A425 A426 L429 | A238-L242 WeakPolarHBondContact O-CB 3.17Å; A238-L242 PolarHBondContact O-N 3.15Å; N239-L242 PolarHBondContact O-N 3.31Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 2.96Å; L242-S246 VanDerWaalsContact O-CB 3.23Å; L242-S246 WeakPolarHBondContact O-CB 3.45Å; L242-S246 PolarHBondContact O-N 2.68Å; L242-S246 PolarHBondContact O-OG 3.34Å; L242-L422 HydrophobicContact CD1-CD1 3.53Å; L242-L422 HydrophobicContact CD1-CG 4.47Å; L242-A425 HydrophobicContact CD1-CB 4.17Å; L242-A426 HydrophobicContact CD2-CB 4.29Å; L242-L429 HydrophobicContact CD2-CB 4.17Å; L242-L429 HydrophobicContact CD2-CD1 3.77Å |
| 243 | I | 94.4 | Very high | 94 | Very high | 98 Ų | 98 | 66.2 Ų | 66.2 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 174.9 | -70.9 | 165.1 | 0 | 0 | 0 | 110.2 | N239 L240 L245 S246 I247 | N239-I243 WeakPolarHBondContact O-CB 3.32Å; N239-I243 VanDerWaalsContact O-CG1 3.22Å; N239-I243 WeakPolarHBondContact O-CG1 3.32Å; N239-I243 PolarHBondContact O-N 3.47Å; L240-I243 PolarHBondContact O-N 3.12Å; I243-L245 PolarHBondContact O-N 2.97Å; I243-S246 PolarHBondContact O-N 3.06Å; I243-I247 HydrophobicContact CG2-CD1 3.74Å; I243-I247 HydrophobicContact CG2-CG1 4.46Å; I243-I247 VanDerWaalsContact O-CG1 3.3Å; I243-I247 WeakPolarHBondContact O-CG1 3.47Å; I243-I247 PolarHBondContact O-N 2.82Å |
| 244 | V | 96 | Very high | 94.3 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 179.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | L240 V241 S246 I247 V248 | L240-V244 HydrophobicContact CD1-CG2 4.27Å; L240-V244 VanDerWaalsContact O-CG2 3.31Å; L240-V244 WeakPolarHBondContact O-CG2 3.42Å; L240-V244 PolarHBondContact O-N 3.18Å; V241-V244 PolarHBondContact O-N 2.96Å; V244-S246 VanDerWaalsContact C-N 3.34Å; V244-S246 PolarHBondContact O-N 3.46Å; V244-I247 PolarHBondContact O-N 3.49Å; V244-V248 HydrophobicContact CG1-CG2 4.41Å; V244-V248 WeakPolarHBondContact O-CB 3.35Å; V244-V248 VanDerWaalsContact O-CG2 3.29Å; V244-V248 WeakPolarHBondContact O-CG2 3.35Å; V244-V248 PolarHBondContact O-N 3.29Å |
| 245 | L | 93.9 | Very high | 94.6 | Very high | 86 Ų | 86 | 66.1 Ų | 66.1 | 45% | 0.45 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.4 | -73.4 | 175.1 | 0 | 0 | 0 | 111.8 | V241 I243 I247 V248 V249 L422 | V241-L245 HydrophobicContact CG1-CD1 3.87Å; V241-L245 HydrophobicContact CG1-CG 4.38Å; V241-L245 WeakPolarHBondContact O-CB 3.35Å; V241-L245 VanDerWaalsContact O-CG 3.29Å; V241-L245 WeakPolarHBondContact O-CG 3.32Å; V241-L245 PolarHBondContact O-N 3.08Å; I243-L245 PolarHBondContact O-N 2.97Å; L245-I247 PolarHBondContact O-N 3.49Å; L245-V248 PolarHBondContact O-N 2.99Å; L245-V249 WeakPolarHBondContact O-CB 3.28Å; L245-V249 VanDerWaalsContact O-CG2 3.28Å; L245-V249 WeakPolarHBondContact O-CG2 3.17Å; L245-V249 PolarHBondContact O-N 3.4Å; L245-L422 HydrophobicContact CB-CD1 4.49Å |
| 246 | S | 95 | Very high | 95 | Very high | 31 Ų | 31 | 66.8 Ų | 66.8 | 22% | 0.217 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 178.5 | -61 | 0 | 0 | 0 | 0 | 112 | L242 I243 V244 T250 | L242-S246 VanDerWaalsContact O-CB 3.23Å; L242-S246 WeakPolarHBondContact O-CB 3.45Å; L242-S246 PolarHBondContact O-N 2.68Å; L242-S246 PolarHBondContact O-OG 3.34Å; I243-S246 PolarHBondContact O-N 3.06Å; V244-S246 VanDerWaalsContact C-N 3.34Å; V244-S246 PolarHBondContact O-N 3.46Å; S246-T250 WeakPolarHBondContact O-CB 3.2Å; S246-T250 PolarHBondContact O-N 2.82Å; S246-T250 PolarHBondContact O-OG1 3.2Å |
| 247 | I | 97.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 58.9 Ų | 58.9 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 175.4 | -68.6 | 167.8 | 0 | 0 | 0 | 110.3 | I243 V244 L245 V249 T250 I251 | I243-I247 HydrophobicContact CG2-CD1 3.74Å; I243-I247 HydrophobicContact CG2-CG1 4.46Å; I243-I247 VanDerWaalsContact O-CG1 3.3Å; I243-I247 WeakPolarHBondContact O-CG1 3.47Å; I243-I247 PolarHBondContact O-N 2.82Å; V244-I247 PolarHBondContact O-N 3.49Å; L245-I247 PolarHBondContact O-N 3.49Å; I247-V249 PolarHBondContact O-N 3.12Å; I247-T250 PolarHBondContact O-N 3.44Å; I247-I251 HydrophobicContact CG2-CD1 3.77Å; I247-I251 HydrophobicContact CG2-CG1 4.45Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.33Å; I247-I251 PolarHBondContact O-N 3.49Å |
| 248 | V | 97.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 62.4 Ų | 62.4 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | -179.2 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | V244 L245 T250 I251 I252 | V244-V248 HydrophobicContact CG1-CG2 4.41Å; V244-V248 WeakPolarHBondContact O-CB 3.35Å; V244-V248 VanDerWaalsContact O-CG2 3.29Å; V244-V248 WeakPolarHBondContact O-CG2 3.35Å; V244-V248 PolarHBondContact O-N 3.29Å; L245-V248 PolarHBondContact O-N 2.99Å; V248-T250 VanDerWaalsContact C-N 3.32Å; V248-T250 PolarHBondContact O-N 3.36Å; V248-I251 PolarHBondContact O-N 3Å; V248-I252 HydrophobicContact CG1-CD1 3.91Å; V248-I252 WeakPolarHBondContact O-CG1 3.32Å; V248-I252 PolarHBondContact O-N 3.17Å |
| 249 | V | 96 | Very high | 95.7 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 178.2 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L245 I247 I252 F253 F415 M419 L422 | L245-V249 WeakPolarHBondContact O-CB 3.28Å; L245-V249 VanDerWaalsContact O-CG2 3.28Å; L245-V249 WeakPolarHBondContact O-CG2 3.17Å; L245-V249 PolarHBondContact O-N 3.4Å; I247-V249 PolarHBondContact O-N 3.12Å; V249-I252 PolarHBondContact O-N 3.39Å; V249-F253 WeakPolarHBondContact O-CB 3.3Å; V249-F253 PolarHBondContact O-N 3.37Å; V249-F415 HydrophobicContact CG1-CE2 4.02Å; V249-F415 HydrophobicContact CG1-CZ 3.84Å; V249-M419 HydrophobicContact CG1-CB 3.86Å; V249-M419 HydrophobicContact CG1-CG 3.56Å; V249-M419 HydrophobicContact CG1-SD 3.98Å; V249-L422 HydrophobicContact CB-CD2 3.96Å; V249-L422 HydrophobicContact CG1-CD2 4.22Å; V249-L422 HydrophobicContact CG2-CD2 3.93Å |
| 250 | T | 97.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 25% | 0.252 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.5 | -61 | 0 | 0 | 0 | 0 | 112 | S246 I247 V248 I252 F253 F254 F272 | S246-T250 WeakPolarHBondContact O-CB 3.2Å; S246-T250 PolarHBondContact O-N 2.82Å; S246-T250 PolarHBondContact O-OG1 3.2Å; I247-T250 PolarHBondContact O-N 3.44Å; V248-T250 VanDerWaalsContact C-N 3.32Å; V248-T250 PolarHBondContact O-N 3.36Å; T250-I252 PolarHBondContact O-N 3.4Å; T250-F253 WeakPolarHBondContact O-CB 3.38Å; T250-F253 PolarHBondContact O-N 3Å; T250-F254 HydrophobicContact CG2-CD2 3.73Å; T250-F254 HydrophobicContact CG2-CE2 3.58Å; T250-F254 VanDerWaalsContact O-CD2 3.27Å; T250-F254 WeakPolarHBondContact O-CD2 3.4Å; T250-F254 PolarHBondContact O-N 3Å; T250-F272 HydrophobicContact CG2-CE2 3.86Å; T250-F272 HydrophobicContact CG2-CZ 3.9Å |
| 251 | I | 98.1 | Very high | 95.8 | Very high | 107 Ų | 107 | 67.4 Ų | 67.4 | 55% | 0.549 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 174.8 | -69 | 166.6 | 0 | 0 | 0 | 110.5 | I247 V248 F253 F254 R255 | I247-I251 HydrophobicContact CG2-CD1 3.77Å; I247-I251 HydrophobicContact CG2-CG1 4.45Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.33Å; I247-I251 PolarHBondContact O-N 3.49Å; V248-I251 PolarHBondContact O-N 3Å; I251-F253 VanDerWaalsContact C-N 3.33Å; I251-F253 PolarHBondContact O-N 3.36Å; I251-F254 PolarHBondContact O-N 3.5Å; I251-R255 WeakPolarHBondContact O-CB 3.3Å; I251-R255 PolarHBondContact O-N 2.87Å |
| 252 | I | 97.3 | Very high | 95.9 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.4 | -66.3 | 168.2 | 0 | 0 | 0 | 110.4 | V248 V249 T250 R255 Q256 F415 | V248-I252 HydrophobicContact CG1-CD1 3.91Å; V248-I252 WeakPolarHBondContact O-CG1 3.32Å; V248-I252 PolarHBondContact O-N 3.17Å; V249-I252 PolarHBondContact O-N 3.39Å; T250-I252 PolarHBondContact O-N 3.4Å; I252-R255 PolarHBondContact O-N 2.88Å; I252-Q256 HydrophobicContact CG2-CG 4.49Å; I252-Q256 WeakPolarHBondContact O-CG 3.49Å; I252-Q256 PolarHBondContact O-N 3.05Å; I252-F415 HydrophobicContact CB-CE2 4.21Å; I252-F415 HydrophobicContact CB-CZ 3.84Å; I252-F415 HydrophobicContact CG2-CE1 4.14Å; I252-F415 HydrophobicContact CG2-CE2 3.74Å; I252-F415 HydrophobicContact CG2-CZ 3.51Å |
| 253 | F | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.9 | -54.6 | 177.2 | 177.9 | -87.4 | 0 | 0 | 0 | 111.6 | V249 T250 I251 R255 Q256 A257 M268 F272 F415 I416 M419 | V249-F253 WeakPolarHBondContact O-CB 3.3Å; V249-F253 PolarHBondContact O-N 3.37Å; T250-F253 WeakPolarHBondContact O-CB 3.38Å; T250-F253 PolarHBondContact O-N 3Å; I251-F253 VanDerWaalsContact C-N 3.33Å; I251-F253 PolarHBondContact O-N 3.36Å; F253-R255 VanDerWaalsContact C-N 3.33Å; F253-R255 PolarHBondContact O-N 2.98Å; F253-Q256 PolarHBondContact O-N 3.21Å; F253-Q256 VanDerWaalsContact O-N 3.14Å; F253-A257 PolarHBondContact O-N 3.45Å; F253-M268 HydrophobicContact CD1-CE 4.32Å; F253-M268 HydrophobicContact CD2-CE 3.72Å; F253-M268 HydrophobicContact CE1-CB 4.34Å; F253-M268 HydrophobicContact CE1-CE 4.02Å; F253-M268 HydrophobicContact CE2-CE 3.4Å; F253-M268 VanDerWaalsContact CE2-CE 3.4Å; F253-M268 HydrophobicContact CG-CE 4.17Å; F253-M268 HydrophobicContact CZ-CB 3.95Å; F253-M268 HydrophobicContact CZ-CE 3.56Å; F253-M268 VanDerWaalsContact CZ-O 3.3Å; F253-M268 WeakPolarHBondContact CZ-O 3.33Å; F253-F272 HydrophobicContact CD1-CD2 4.05Å; F253-F272 HydrophobicContact CE1-CB 3.73Å; F253-F272 AromaticContact CE1-CD2 3.97Å; F253-F272 HydrophobicContact CE1-CD2 3.97Å; F253-F272 HydrophobicContact CE1-CG 4.15Å; F253-F272 HydrophobicContact CZ-CB 3.95Å; F253-F272 HydrophobicContact CZ-CD2 4.47Å; F253-F415 HydrophobicContact CB-CE1 4.1Å; F253-F415 HydrophobicContact CB-CZ 4.37Å; F253-F415 HydrophobicContact CD2-CE1 4.37Å; F253-I416 HydrophobicContact CD2-CD1 3.3Å; F253-I416 HydrophobicContact CE2-CD1 3.43Å; F253-I416 VanDerWaalsContact CE2-CD1 3.43Å; F253-I416 HydrophobicContact CE2-CG1 4.47Å; F253-M419 HydrophobicContact CB-CE 4.22Å; F253-M419 HydrophobicContact CB-SD 3.97Å; F253-M419 HydrophobicContact CD2-CE 4.19Å; F253-M419 HydrophobicContact CD2-SD 3.44Å; F253-M419 WeakPolarHBondContact CD2-SD 3.35Å; F253-M419 HydrophobicContact CE2-SD 4.15Å; F253-M419 HydrophobicContact CG-CE 4.14Å; F253-M419 HydrophobicContact CG-SD 3.89Å |
| 254 | F | 97.9 | Very high | 95.7 | Very high | 50 Ų | 50 | 68.2 Ų | 68.2 | 22% | 0.219 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | -179.8 | -77.9 | -64.4 | 0 | 0 | 0 | 111.9 | T250 I251 Q256 A257 F258 F269 F272 | T250-F254 HydrophobicContact CG2-CD2 3.73Å; T250-F254 HydrophobicContact CG2-CE2 3.58Å; T250-F254 VanDerWaalsContact O-CD2 3.27Å; T250-F254 WeakPolarHBondContact O-CD2 3.4Å; T250-F254 PolarHBondContact O-N 3Å; I251-F254 PolarHBondContact O-N 3.5Å; F254-Q256 VanDerWaalsContact C-N 3.25Å; F254-Q256 PolarHBondContact O-N 3.39Å; F254-A257 PolarHBondContact O-N 3.03Å; F254-A257 VanDerWaalsContact O-N 3.13Å; F254-F258 HydrophobicContact CB-CD2 4.25Å; F254-F258 HydrophobicContact CB-CE2 4.13Å; F254-F258 HydrophobicContact CD1-CE2 4.31Å; F254-F258 WeakPolarHBondContact O-CD2 3.21Å; F254-F258 PolarHBondContact O-N 3.43Å; F254-F269 HydrophobicContact CD1-CD1 4.33Å; F254-F269 AromaticContact CD1-CE1 3.75Å; F254-F269 HydrophobicContact CD1-CE1 3.75Å; F254-F269 AromaticContact CE1-CD1 3.63Å; F254-F269 HydrophobicContact CE1-CD1 3.63Å; F254-F269 AromaticContact CE1-CE1 3.39Å; F254-F269 HydrophobicContact CE1-CE1 3.39Å; F254-F272 HydrophobicContact CE2-CD1 4.33Å; F254-F272 HydrophobicContact CE2-CD2 4.3Å; F254-F272 AromaticContact CE2-CE1 3.98Å; F254-F272 HydrophobicContact CE2-CE1 3.98Å; F254-F272 AromaticContact CE2-CE2 3.97Å; F254-F272 HydrophobicContact CE2-CE2 3.97Å; F254-F272 HydrophobicContact CE2-CG 4.47Å; F254-F272 AromaticContact CE2-CZ 3.8Å; F254-F272 HydrophobicContact CE2-CZ 3.8Å; F254-F272 AromaticContact CZ-CD1 3.66Å; F254-F272 HydrophobicContact CZ-CD1 3.66Å; F254-F272 HydrophobicContact CZ-CD2 4.13Å; F254-F272 AromaticContact CZ-CE1 3.7Å; F254-F272 HydrophobicContact CZ-CE1 3.7Å; F254-F272 HydrophobicContact CZ-CE2 4.19Å; F254-F272 AromaticContact CZ-CG 3.87Å; F254-F272 HydrophobicContact CZ-CG 3.87Å; F254-F272 AromaticContact CZ-CZ 3.98Å; F254-F272 HydrophobicContact CZ-CZ 3.98Å |
| 255 | R | 97.7 | Very high | 95.7 | Very high | 144 Ų | 144 | 68.4 Ų | 68.4 | 54% | 0.543 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 173.8 | -171.2 | -178.7 | 67.9 | 168.1 | -0.6 | 112 | I251 I252 F253 K259 | I251-R255 WeakPolarHBondContact O-CB 3.3Å; I251-R255 PolarHBondContact O-N 2.87Å; I252-R255 PolarHBondContact O-N 2.88Å; F253-R255 VanDerWaalsContact C-N 3.33Å; F253-R255 PolarHBondContact O-N 2.98Å; R255-K259 WeakPolarHBondContact O-CG 3.35Å |
| 256 | Q | 96.6 | Very high | 95.8 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.4 | -40.1 | 174.4 | -61.8 | -64.3 | 19.2 | 0 | 0 | 111.8 | I252 F253 F254 F258 K259 L412 | I252-Q256 HydrophobicContact CG2-CG 4.49Å; I252-Q256 WeakPolarHBondContact O-CG 3.49Å; I252-Q256 PolarHBondContact O-N 3.05Å; F253-Q256 PolarHBondContact O-N 3.21Å; F253-Q256 VanDerWaalsContact O-N 3.14Å; F254-Q256 VanDerWaalsContact C-N 3.25Å; F254-Q256 PolarHBondContact O-N 3.39Å; Q256-F258 VanDerWaalsContact C-N 3.32Å; Q256-F258 PolarHBondContact O-N 2.7Å; Q256-K259 WeakPolarHBondContact O-CB 3.33Å; Q256-K259 PolarHBondContact O-N 2.89Å; Q256-K259 VanDerWaalsContact O-N 3.13Å; Q256-L412 HydrophobicContact CB-CD1 3.86Å; Q256-L412 HydrophobicContact CB-CD2 4.37Å; Q256-L412 HydrophobicContact CG-CD1 4.46Å; Q256-L412 HydrophobicContact CG-CD2 4.08Å |
| 257 | A | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F253 F254 K259 L260 R265 M268 | F253-A257 PolarHBondContact O-N 3.45Å; F254-A257 PolarHBondContact O-N 3.03Å; F254-A257 VanDerWaalsContact O-N 3.13Å; A257-K259 VanDerWaalsContact C-N 3.26Å; A257-K259 PolarHBondContact O-N 3.27Å; A257-L260 PolarHBondContact O-N 3.02Å; A257-R265 WeakPolarHBondContact O-CB 3.43Å; A257-R265 WeakPolarHBondContact O-CG 3.14Å; A257-M268 VanDerWaalsContact CA-SD 3.52Å; A257-M268 HydrophobicContact CB-CB 3.88Å; A257-M268 HydrophobicContact CB-CE 3.9Å; A257-M268 HydrophobicContact CB-CG 4.43Å; A257-M268 HydrophobicContact CB-SD 3.75Å |
| 258 | F | 96.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 62.8 Ų | 62.8 | 55% | 0.553 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -13.5 | 178.9 | -75.4 | -66.8 | 0 | 0 | 0 | 114.4 | F254 Q256 F269 | F254-F258 HydrophobicContact CB-CD2 4.25Å; F254-F258 HydrophobicContact CB-CE2 4.13Å; F254-F258 HydrophobicContact CD1-CE2 4.31Å; F254-F258 WeakPolarHBondContact O-CD2 3.21Å; F254-F258 PolarHBondContact O-N 3.43Å; Q256-F258 VanDerWaalsContact C-N 3.32Å; Q256-F258 PolarHBondContact O-N 2.7Å; F258-F269 AromaticContact CE1-CZ 3.98Å; F258-F269 HydrophobicContact CE1-CZ 3.98Å; F258-F269 HydrophobicContact CE2-CZ 4.45Å; F258-F269 HydrophobicContact CZ-CE1 4.45Å; F258-F269 AromaticContact CZ-CZ 3.74Å; F258-F269 HydrophobicContact CZ-CZ 3.74Å |
| 259 | K | 95.9 | Very high | 95.7 | Very high | 144 Ų | 144 | 61.9 Ų | 61.9 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -15.1 | 171.6 | -71.6 | 176.5 | -177.2 | -178.8 | 0 | 113.4 | R255 Q256 A257 | R255-K259 WeakPolarHBondContact O-CG 3.35Å; Q256-K259 WeakPolarHBondContact O-CB 3.33Å; Q256-K259 PolarHBondContact O-N 2.89Å; Q256-K259 VanDerWaalsContact O-N 3.13Å; A257-K259 VanDerWaalsContact C-N 3.26Å; A257-K259 PolarHBondContact O-N 3.27Å |
| 260 | L | 93.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -82.6 | 162.7 | 178.3 | -60.2 | 176.5 | 0 | 0 | 0 | 111.3 | A257 R265 M268 P409 | A257-L260 PolarHBondContact O-N 3.02Å; L260-R265 HydrophobicContact CB-CB 4.48Å; L260-M268 HydrophobicContact CD1-CG 4.03Å; L260-M268 HydrophobicContact CD1-SD 3.39Å; L260-M268 WeakPolarHBondContact CD1-SD 3.36Å; L260-M268 HydrophobicContact CG-SD 4.5Å; L260-P409 HydrophobicContact CD1-CG 3.55Å; L260-P409 HydrophobicContact CD2-CG 4.07Å; L260-P409 HydrophobicContact CG-CG 4.47Å |
| 261 | D | 93.3 | Very high | 95.5 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 53% | 0.529 | 27% | 0.271 | S | S | . | . | trans | -62 | 170.5 | 168.2 | 76.8 | -55.1 | 0 | 0 | 0 | 111.2 | T263 G264 R265 | D261-T263 PolarHBondContact O-N 3.1Å; D261-T263 VanDerWaalsContact OD2-CB 3.25Å; D261-T263 WeakPolarHBondContact OD2-CB 3.15Å; D261-T263 PolarHBondContact OD2-N 3.48Å; D261-T263 VanDerWaalsContact OD2-N 3.11Å; D261-T263 PolarHBondContact OD2-OG1 2.7Å; D261-G264 PolarHBondContact O-N 3.35Å; D261-G264 PolarHBondContact OD1-N 3.36Å; D261-R265 WeakPolarHBondContact O-CB 3.46Å; D261-R265 PolarHBondContact O-N 2.96Å | ||
| 262 | K | 92.9 | Very high | 95.5 | Very high | 148 Ų | 148 | 55.2 Ų | 55.2 | 64% | 0.643 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -55.2 | -39 | -177.5 | -174 | 179.1 | 177.6 | -176.7 | 0 | 112.3 | N266 | K262-N266 VanDerWaalsContact O-CB 3.3Å; K262-N266 WeakPolarHBondContact O-CB 3.44Å; K262-N266 PolarHBondContact O-N 3.33Å; K262-N266 PolarHBondContact O-OD1 3.18Å |
| 263 | T | 91.8 | Very high | 95.4 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.5 | -51.3 | -178.5 | -48.4 | 0 | 0 | 0 | 0 | 111 | D261 R265 N266 K267 T485 | D261-T263 PolarHBondContact O-N 3.1Å; D261-T263 VanDerWaalsContact OD2-CB 3.25Å; D261-T263 WeakPolarHBondContact OD2-CB 3.15Å; D261-T263 PolarHBondContact OD2-N 3.48Å; D261-T263 VanDerWaalsContact OD2-N 3.11Å; D261-T263 PolarHBondContact OD2-OG1 2.7Å; T263-R265 VanDerWaalsContact C-N 3.31Å; T263-R265 PolarHBondContact O-N 3.21Å; T263-N266 PolarHBondContact O-N 3.48Å; T263-K267 WeakPolarHBondContact O-CG 3.42Å; T263-K267 PolarHBondContact O-N 3.43Å; T263-T485 HydrophobicContact CG2-CG2 3.71Å |
| 264 | G | 92 | Very high | 95.3 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | D261 K267 M268 | D261-G264 PolarHBondContact O-N 3.35Å; D261-G264 PolarHBondContact OD1-N 3.36Å; G264-K267 PolarHBondContact O-N 2.9Å; G264-M268 PolarHBondContact O-N 2.94Å; G264-M268 VanDerWaalsContact O-N 3.07Å |
| 265 | R | 95.6 | Very high | 95.2 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.9 | -177.2 | 176.1 | 66.6 | -145.7 | 3.9 | 112.4 | A257 L260 D261 T263 K267 M268 F269 | A257-R265 WeakPolarHBondContact O-CB 3.43Å; A257-R265 WeakPolarHBondContact O-CG 3.14Å; L260-R265 HydrophobicContact CB-CB 4.48Å; D261-R265 WeakPolarHBondContact O-CB 3.46Å; D261-R265 PolarHBondContact O-N 2.96Å; T263-R265 VanDerWaalsContact C-N 3.31Å; T263-R265 PolarHBondContact O-N 3.21Å; R265-K267 PolarHBondContact O-N 2.95Å; R265-M268 PolarHBondContact O-N 2.97Å; R265-F269 HydrophobicContact CG-CD2 3.82Å; R265-F269 HydrophobicContact CG-CE2 3.39Å; R265-F269 HydrophobicContact CG-CZ 4.24Å; R265-F269 WeakPolarHBondContact O-CD2 3.43Å; R265-F269 PolarHBondContact O-N 3.31Å |
| 266 | N | 95.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.9 | -79.2 | -0.2 | 0 | 0 | 0 | 112.1 | K262 T263 M268 F269 V270 M482 | K262-N266 VanDerWaalsContact O-CB 3.3Å; K262-N266 WeakPolarHBondContact O-CB 3.44Å; K262-N266 PolarHBondContact O-N 3.33Å; K262-N266 PolarHBondContact O-OD1 3.18Å; T263-N266 PolarHBondContact O-N 3.48Å; N266-M268 VanDerWaalsContact C-N 3.32Å; N266-M268 PolarHBondContact O-N 3.36Å; N266-F269 WeakPolarHBondContact O-CB 3.26Å; N266-F269 PolarHBondContact O-N 3.18Å; N266-V270 WeakPolarHBondContact O-CG2 3.33Å; N266-V270 PolarHBondContact O-N 2.86Å; N266-M482 HydrophobicContact CB-CB 4.14Å; N266-M482 HydrophobicContact CB-CE 3.91Å; N266-M482 WeakPolarHBondContact CB-O 3.4Å |
| 267 | K | 94.7 | Very high | 95 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -39.9 | 176.2 | -68.1 | -179.2 | 176.8 | -175.5 | 0 | 112 | T263 G264 R265 V270 A271 L407 | T263-K267 WeakPolarHBondContact O-CG 3.42Å; T263-K267 PolarHBondContact O-N 3.43Å; G264-K267 PolarHBondContact O-N 2.9Å; R265-K267 PolarHBondContact O-N 2.95Å; K267-V270 PolarHBondContact O-N 3.39Å; K267-A271 PolarHBondContact O-N 2.84Å; K267-L407 HydrophobicContact CB-CB 4.21Å; K267-L407 HydrophobicContact CB-CD2 4.2Å; K267-L407 WeakPolarHBondContact CB-O 3.34Å; K267-L407 HydrophobicContact CG-CD2 4.22Å |
| 268 | M | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 173.4 | -74 | -166.7 | 69.3 | 0 | 0 | 112.5 | F253 A257 L260 G264 R265 N266 V270 A271 F272 L412 | F253-M268 HydrophobicContact CD1-CE 4.32Å; F253-M268 HydrophobicContact CD2-CE 3.72Å; F253-M268 HydrophobicContact CE1-CB 4.34Å; F253-M268 HydrophobicContact CE1-CE 4.02Å; F253-M268 HydrophobicContact CE2-CE 3.4Å; F253-M268 VanDerWaalsContact CE2-CE 3.4Å; F253-M268 HydrophobicContact CG-CE 4.17Å; F253-M268 HydrophobicContact CZ-CB 3.95Å; F253-M268 HydrophobicContact CZ-CE 3.56Å; F253-M268 VanDerWaalsContact CZ-O 3.3Å; F253-M268 WeakPolarHBondContact CZ-O 3.33Å; A257-M268 VanDerWaalsContact CA-SD 3.52Å; A257-M268 HydrophobicContact CB-CB 3.88Å; A257-M268 HydrophobicContact CB-CE 3.9Å; A257-M268 HydrophobicContact CB-CG 4.43Å; A257-M268 HydrophobicContact CB-SD 3.75Å; L260-M268 HydrophobicContact CD1-CG 4.03Å; L260-M268 HydrophobicContact CD1-SD 3.39Å; L260-M268 WeakPolarHBondContact CD1-SD 3.36Å; L260-M268 HydrophobicContact CG-SD 4.5Å; G264-M268 PolarHBondContact O-N 2.94Å; G264-M268 VanDerWaalsContact O-N 3.07Å; R265-M268 PolarHBondContact O-N 2.97Å; N266-M268 VanDerWaalsContact C-N 3.32Å; N266-M268 PolarHBondContact O-N 3.36Å; M268-V270 VanDerWaalsContact C-N 3.3Å; M268-V270 PolarHBondContact O-N 3.3Å; M268-A271 PolarHBondContact O-N 3.47Å; M268-F272 PolarHBondContact O-N 3.4Å; M268-L412 HydrophobicContact CE-CD1 4.16Å; M268-L412 HydrophobicContact SD-CD1 4.08Å |
| 269 | F | 96.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 23% | 0.228 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 173.4 | -78 | -59.1 | 0 | 0 | 0 | 112 | F254 F258 R265 N266 F272 V273 M482 | F254-F269 HydrophobicContact CD1-CD1 4.33Å; F254-F269 AromaticContact CD1-CE1 3.75Å; F254-F269 HydrophobicContact CD1-CE1 3.75Å; F254-F269 AromaticContact CE1-CD1 3.63Å; F254-F269 HydrophobicContact CE1-CD1 3.63Å; F254-F269 AromaticContact CE1-CE1 3.39Å; F254-F269 HydrophobicContact CE1-CE1 3.39Å; F258-F269 AromaticContact CE1-CZ 3.98Å; F258-F269 HydrophobicContact CE1-CZ 3.98Å; F258-F269 HydrophobicContact CE2-CZ 4.45Å; F258-F269 HydrophobicContact CZ-CE1 4.45Å; F258-F269 AromaticContact CZ-CZ 3.74Å; F258-F269 HydrophobicContact CZ-CZ 3.74Å; R265-F269 HydrophobicContact CG-CD2 3.82Å; R265-F269 HydrophobicContact CG-CE2 3.39Å; R265-F269 HydrophobicContact CG-CZ 4.24Å; R265-F269 WeakPolarHBondContact O-CD2 3.43Å; R265-F269 PolarHBondContact O-N 3.31Å; N266-F269 WeakPolarHBondContact O-CB 3.26Å; N266-F269 PolarHBondContact O-N 3.18Å; F269-F272 PolarHBondContact O-N 3.31Å; F269-V273 WeakPolarHBondContact O-CG2 3.2Å; F269-V273 PolarHBondContact O-N 2.9Å; F269-V273 VanDerWaalsContact O-N 3.08Å; F269-M482 HydrophobicContact CB-CE 3.76Å; F269-M482 HydrophobicContact CD2-CE 4.23Å; F269-M482 HydrophobicContact CG-CE 4.38Å |
| 270 | V | 96 | Very high | 95 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | N266 K267 M268 F272 V273 L274 P346 L407 L479 M482 I483 | N266-V270 WeakPolarHBondContact O-CG2 3.33Å; N266-V270 PolarHBondContact O-N 2.86Å; K267-V270 PolarHBondContact O-N 3.39Å; M268-V270 VanDerWaalsContact C-N 3.3Å; M268-V270 PolarHBondContact O-N 3.3Å; V270-F272 VanDerWaalsContact C-N 3.28Å; V270-F272 PolarHBondContact O-N 3.28Å; V270-V273 PolarHBondContact O-N 3.18Å; V270-L274 HydrophobicContact CG1-CD1 4.09Å; V270-L274 HydrophobicContact CG1-CG 4.33Å; V270-L274 WeakPolarHBondContact O-CG 3.28Å; V270-L274 PolarHBondContact O-N 2.78Å; V270-P346 HydrophobicContact CG1-CG 4.46Å; V270-L407 HydrophobicContact CB-CD1 4.33Å; V270-L407 HydrophobicContact CG1-CD1 4.02Å; V270-L479 HydrophobicContact CB-CD2 4.43Å; V270-L479 HydrophobicContact CG1-CB 4.38Å; V270-L479 HydrophobicContact CG1-CD2 4.24Å; V270-L479 HydrophobicContact CG2-CB 4.44Å; V270-L479 HydrophobicContact CG2-CD2 3.9Å; V270-M482 HydrophobicContact CG2-CB 3.75Å; V270-M482 HydrophobicContact CG2-CE 4.45Å; V270-M482 HydrophobicContact CG2-SD 4.22Å; V270-I483 HydrophobicContact CB-CG1 4.31Å; V270-I483 HydrophobicContact CG1-CD1 3.91Å; V270-I483 HydrophobicContact CG1-CG1 4.06Å; V270-I483 HydrophobicContact CG2-CG1 4.07Å |
| 271 | A | 95 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.6 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K267 M268 L274 M275 M403 L407 V408 | K267-A271 PolarHBondContact O-N 2.84Å; M268-A271 PolarHBondContact O-N 3.47Å; A271-L274 PolarHBondContact O-N 2.77Å; A271-M275 WeakPolarHBondContact O-CB 3.4Å; A271-M275 WeakPolarHBondContact O-CG 3.4Å; A271-M275 PolarHBondContact O-N 2.99Å; A271-M403 HydrophobicContact CB-SD 3.69Å; A271-L407 HydrophobicContact CB-CB 4.08Å; A271-L407 HydrophobicContact CB-CD1 4.1Å; A271-V408 HydrophobicContact CB-CG2 4.23Å |
| 272 | F | 96.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 15% | 0.154 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 177.5 | -173.3 | -99.8 | 0 | 0 | 0 | 112.7 | T250 F253 F254 M268 F269 V270 L274 M275 L276 M419 | T250-F272 HydrophobicContact CG2-CE2 3.86Å; T250-F272 HydrophobicContact CG2-CZ 3.9Å; F253-F272 HydrophobicContact CD1-CD2 4.05Å; F253-F272 HydrophobicContact CE1-CB 3.73Å; F253-F272 AromaticContact CE1-CD2 3.97Å; F253-F272 HydrophobicContact CE1-CD2 3.97Å; F253-F272 HydrophobicContact CE1-CG 4.15Å; F253-F272 HydrophobicContact CZ-CB 3.95Å; F253-F272 HydrophobicContact CZ-CD2 4.47Å; F254-F272 HydrophobicContact CE2-CD1 4.33Å; F254-F272 HydrophobicContact CE2-CD2 4.3Å; F254-F272 AromaticContact CE2-CE1 3.98Å; F254-F272 HydrophobicContact CE2-CE1 3.98Å; F254-F272 AromaticContact CE2-CE2 3.97Å; F254-F272 HydrophobicContact CE2-CE2 3.97Å; F254-F272 HydrophobicContact CE2-CG 4.47Å; F254-F272 AromaticContact CE2-CZ 3.8Å; F254-F272 HydrophobicContact CE2-CZ 3.8Å; F254-F272 AromaticContact CZ-CD1 3.66Å; F254-F272 HydrophobicContact CZ-CD1 3.66Å; F254-F272 HydrophobicContact CZ-CD2 4.13Å; F254-F272 AromaticContact CZ-CE1 3.7Å; F254-F272 HydrophobicContact CZ-CE1 3.7Å; F254-F272 HydrophobicContact CZ-CE2 4.19Å; F254-F272 AromaticContact CZ-CG 3.87Å; F254-F272 HydrophobicContact CZ-CG 3.87Å; F254-F272 AromaticContact CZ-CZ 3.98Å; F254-F272 HydrophobicContact CZ-CZ 3.98Å; M268-F272 PolarHBondContact O-N 3.4Å; F269-F272 PolarHBondContact O-N 3.31Å; V270-F272 VanDerWaalsContact C-N 3.28Å; V270-F272 PolarHBondContact O-N 3.28Å; F272-L274 PolarHBondContact O-N 3.27Å; F272-M275 WeakPolarHBondContact O-CB 3.4Å; F272-M275 PolarHBondContact O-N 2.96Å; F272-L276 HydrophobicContact CD1-CD1 4.09Å; F272-L276 HydrophobicContact CD1-CG 4.39Å; F272-L276 HydrophobicContact CE1-CD1 3.7Å; F272-L276 HydrophobicContact CE1-CD2 4.39Å; F272-L276 HydrophobicContact CE1-CG 4.1Å; F272-L276 HydrophobicContact CZ-CD1 4.41Å; F272-L276 HydrophobicContact CZ-CD2 4.31Å; F272-L276 HydrophobicContact CZ-CG 4.45Å; F272-L276 WeakPolarHBondContact O-CG 3.37Å; F272-L276 PolarHBondContact O-N 3.49Å; F272-M419 HydrophobicContact CD2-CE 3.69Å; F272-M419 HydrophobicContact CE2-CE 3.6Å |
| 273 | V | 96 | Very high | 95.7 | Very high | 29 Ų | 29 | 26.1 Ų | 26.1 | 18% | 0.176 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | F269 V270 M275 L276 E277 M472 M475 L479 | F269-V273 WeakPolarHBondContact O-CG2 3.2Å; F269-V273 PolarHBondContact O-N 2.9Å; F269-V273 VanDerWaalsContact O-N 3.08Å; V270-V273 PolarHBondContact O-N 3.18Å; V273-M275 VanDerWaalsContact C-N 3.27Å; V273-M275 PolarHBondContact O-N 3.01Å; V273-L276 WeakPolarHBondContact O-CB 3.13Å; V273-L276 PolarHBondContact O-N 3.24Å; V273-E277 PolarHBondContact O-N 3.47Å; V273-E277 VanDerWaalsContact O-N 3.11Å; V273-M472 HydrophobicContact CG1-CE 4.08Å; V273-M472 HydrophobicContact CG1-SD 4.06Å; V273-M475 HydrophobicContact CG1-CE 3.97Å; V273-M475 HydrophobicContact CG2-CE 4.42Å; V273-L479 HydrophobicContact CB-CD2 4.44Å; V273-L479 HydrophobicContact CG1-CD1 4.2Å; V273-L479 HydrophobicContact CG1-CD2 4.38Å; V273-L479 HydrophobicContact CG2-CD2 4.45Å |
| 274 | L | 94.9 | Very high | 96 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.7 | -30.8 | 177.7 | -62.7 | 178.5 | 0 | 0 | 0 | 112.3 | V270 A271 F272 E277 A278 M345 P346 F349 M403 L407 M472 | V270-L274 HydrophobicContact CG1-CD1 4.09Å; V270-L274 HydrophobicContact CG1-CG 4.33Å; V270-L274 WeakPolarHBondContact O-CG 3.28Å; V270-L274 PolarHBondContact O-N 2.78Å; A271-L274 PolarHBondContact O-N 2.77Å; F272-L274 PolarHBondContact O-N 3.27Å; L274-E277 PolarHBondContact O-N 3.44Å; L274-A278 WeakPolarHBondContact O-CB 3.38Å; L274-A278 PolarHBondContact O-N 3.48Å; L274-M345 HydrophobicContact CD1-CB 4.42Å; L274-P346 HydrophobicContact CD2-CB 4.36Å; L274-P346 HydrophobicContact CD2-CG 4.49Å; L274-F349 HydrophobicContact CB-CD1 3.98Å; L274-F349 HydrophobicContact CB-CE1 3.83Å; L274-F349 HydrophobicContact CB-CZ 4.48Å; L274-F349 HydrophobicContact CD2-CB 4.07Å; L274-F349 HydrophobicContact CD2-CD1 3.84Å; L274-F349 HydrophobicContact CD2-CE1 4.49Å; L274-F349 HydrophobicContact CD2-CG 3.94Å; L274-F349 HydrophobicContact CG-CD1 4.41Å; L274-F349 WeakPolarHBondContact O-CE1 3.33Å; L274-M403 HydrophobicContact CB-CE 4.37Å; L274-M403 HydrophobicContact CB-CG 4.47Å; L274-M403 HydrophobicContact CD1-CG 3.63Å; L274-M403 HydrophobicContact CD1-SD 4.47Å; L274-L407 HydrophobicContact CD1-CD1 4.19Å; L274-M472 HydrophobicContact CD2-CE 4.38Å |
| 275 | M | 95.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.6 | -37.3 | 173.2 | -75 | 178.4 | 71.9 | 0 | 0 | 112.5 | A271 F272 V273 E277 A278 V279 M403 I416 M419 W420 T423 | A271-M275 WeakPolarHBondContact O-CB 3.4Å; A271-M275 WeakPolarHBondContact O-CG 3.4Å; A271-M275 PolarHBondContact O-N 2.99Å; F272-M275 WeakPolarHBondContact O-CB 3.4Å; F272-M275 PolarHBondContact O-N 2.96Å; V273-M275 VanDerWaalsContact C-N 3.27Å; V273-M275 PolarHBondContact O-N 3.01Å; M275-E277 VanDerWaalsContact C-N 3.35Å; M275-A278 WeakPolarHBondContact O-CB 3.48Å; M275-A278 PolarHBondContact O-N 2.89Å; M275-V279 PolarHBondContact O-N 2.88Å; M275-M403 HydrophobicContact CG-CE 3.86Å; M275-I416 HydrophobicContact SD-CG2 4.34Å; M275-M419 HydrophobicContact CE-CB 3.93Å; M275-M419 HydrophobicContact CE-CE 4.3Å; M275-M419 HydrophobicContact CE-CG 3.51Å; M275-M419 HydrophobicContact CE-SD 3.94Å; M275-M419 HydrophobicContact SD-SD 4.47Å; M275-W420 HydrophobicContact CE-CB 4.43Å; M275-W420 HydrophobicContact CE-CE3 4.46Å; M275-W420 HydrophobicContact CG-CE3 3.94Å; M275-W420 HydrophobicContact CG-CZ3 4.11Å; M275-T423 HydrophobicContact CB-CG2 4.26Å; M275-T423 HydrophobicContact CE-CG2 3.7Å |
| 276 | L | 95.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 21.3 Ų | 21.3 | 49% | 0.487 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65 | -40.2 | 173.2 | -67.4 | 177.3 | 0 | 0 | 0 | 111.5 | F272 V273 A278 V279 V280 | F272-L276 HydrophobicContact CD1-CD1 4.09Å; F272-L276 HydrophobicContact CD1-CG 4.39Å; F272-L276 HydrophobicContact CE1-CD1 3.7Å; F272-L276 HydrophobicContact CE1-CD2 4.39Å; F272-L276 HydrophobicContact CE1-CG 4.1Å; F272-L276 HydrophobicContact CZ-CD1 4.41Å; F272-L276 HydrophobicContact CZ-CD2 4.31Å; F272-L276 HydrophobicContact CZ-CG 4.45Å; F272-L276 WeakPolarHBondContact O-CG 3.37Å; F272-L276 PolarHBondContact O-N 3.49Å; V273-L276 WeakPolarHBondContact O-CB 3.13Å; V273-L276 PolarHBondContact O-N 3.24Å; L276-A278 VanDerWaalsContact C-N 3.31Å; L276-A278 PolarHBondContact O-N 2.78Å; L276-V279 WeakPolarHBondContact O-CB 2.85Å; L276-V279 PolarHBondContact O-N 3.2Å; L276-V279 VanDerWaalsContact O-N 3.15Å; L276-V280 PolarHBondContact O-N 3.13Å |
| 277 | E | 95.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 2% | 0.023 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 173.3 | -174.4 | 175.3 | -170.6 | 0 | 0 | 111.7 | V273 L274 M275 V279 V280 F281 F349 T350 M353 M472 | V273-E277 PolarHBondContact O-N 3.47Å; V273-E277 VanDerWaalsContact O-N 3.11Å; L274-E277 PolarHBondContact O-N 3.44Å; M275-E277 VanDerWaalsContact C-N 3.35Å; E277-V279 VanDerWaalsContact C-N 3.28Å; E277-V279 PolarHBondContact O-N 3.32Å; E277-V280 WeakPolarHBondContact O-CB 3.5Å; E277-V280 PolarHBondContact O-N 3.18Å; E277-V280 VanDerWaalsContact O-N 3.14Å; E277-F281 PolarHBondContact O-N 3.23Å; E277-F349 HydrophobicContact CB-CD1 4.49Å; E277-F349 HydrophobicContact CG-CD1 4.39Å; E277-F349 VanDerWaalsContact OE1-O 3.13Å; E277-F349 VanDerWaalsContact OE2-CB 3.31Å; E277-F349 WeakPolarHBondContact OE2-CB 3.39Å; E277-T350 PolarHBondContact OE1-N 2.93Å; E277-M353 HydrophobicContact CG-CE 3.94Å; E277-M353 HydrophobicContact CG-CG 3.55Å; E277-M353 HydrophobicContact CG-SD 4Å; E277-M353 WeakPolarHBondContact O-CE 3.36Å; E277-M353 WeakPolarHBondContact OE1-CG 3.36Å; E277-M472 HydrophobicContact CG-CG 4.45Å; E277-M472 WeakPolarHBondContact OE2-CE 3.3Å |
| 278 | A | 95 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -32.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L274 M275 L276 V280 F281 Y282 I396 W420 | L274-A278 WeakPolarHBondContact O-CB 3.38Å; L274-A278 PolarHBondContact O-N 3.48Å; M275-A278 WeakPolarHBondContact O-CB 3.48Å; M275-A278 PolarHBondContact O-N 2.89Å; L276-A278 VanDerWaalsContact C-N 3.31Å; L276-A278 PolarHBondContact O-N 2.78Å; A278-V280 VanDerWaalsContact C-N 3.35Å; A278-F281 WeakPolarHBondContact O-CB 3.22Å; A278-F281 PolarHBondContact O-N 2.93Å; A278-Y282 HydrophobicContact CB-CD2 4.42Å; A278-Y282 HydrophobicContact CB-CE2 4.25Å; A278-Y282 WeakPolarHBondContact O-CD2 3.49Å; A278-Y282 PolarHBondContact O-N 3.36Å; A278-I396 HydrophobicContact CB-CG2 4.19Å; A278-W420 HydrophobicContact CB-CH2 3.52Å; A278-W420 HydrophobicContact CB-CZ2 4.5Å; A278-W420 HydrophobicContact CB-CZ3 3.67Å |
| 279 | V | 96.6 | Very high | 96.6 | Very high | 26 Ų | 26 | 17.7 Ų | 17.7 | 16% | 0.158 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 172 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | M275 L276 E277 F281 Y282 I283 T423 A427 | M275-V279 PolarHBondContact O-N 2.88Å; L276-V279 WeakPolarHBondContact O-CB 2.85Å; L276-V279 PolarHBondContact O-N 3.2Å; L276-V279 VanDerWaalsContact O-N 3.15Å; E277-V279 VanDerWaalsContact C-N 3.28Å; E277-V279 PolarHBondContact O-N 3.32Å; V279-F281 VanDerWaalsContact C-N 3.32Å; V279-F281 PolarHBondContact O-N 3.24Å; V279-Y282 PolarHBondContact O-N 2.88Å; V279-I283 HydrophobicContact CG1-CD1 4.04Å; V279-I283 WeakPolarHBondContact O-CG1 3.47Å; V279-I283 PolarHBondContact O-N 2.67Å; V279-T423 HydrophobicContact CG2-CG2 3.93Å; V279-A427 HydrophobicContact CB-CB 4.5Å; V279-A427 HydrophobicContact CG1-CB 4.03Å; V279-A427 VanDerWaalsContact O-CB 3.32Å; V279-A427 WeakPolarHBondContact O-CB 3.48Å |
| 280 | V | 97.7 | Very high | 96.7 | Very high | 39 Ų | 39 | 15.2 Ų | 15.2 | 24% | 0.236 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | L276 E277 A278 Y282 I283 L284 M353 | L276-V280 PolarHBondContact O-N 3.13Å; E277-V280 WeakPolarHBondContact O-CB 3.5Å; E277-V280 PolarHBondContact O-N 3.18Å; E277-V280 VanDerWaalsContact O-N 3.14Å; A278-V280 VanDerWaalsContact C-N 3.35Å; V280-Y282 PolarHBondContact O-N 3.32Å; V280-I283 WeakPolarHBondContact O-CB 3.37Å; V280-I283 PolarHBondContact O-N 3.23Å; V280-L284 HydrophobicContact CG1-CD1 4.38Å; V280-L284 VanDerWaalsContact O-CG 3.32Å; V280-L284 WeakPolarHBondContact O-CG 3.03Å; V280-L284 PolarHBondContact O-N 3.38Å; V280-L284 VanDerWaalsContact O-N 3.17Å; V280-M353 HydrophobicContact CB-CE 4.4Å; V280-M353 HydrophobicContact CB-SD 4.19Å; V280-M353 HydrophobicContact CG1-CE 4.5Å; V280-M353 HydrophobicContact CG1-SD 3.92Å |
| 281 | F | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.013 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.5 | -48.9 | 177.8 | 172.3 | -99.6 | 0 | 0 | 0 | 112.2 | E277 A278 V279 I283 L284 Y285 M353 E393 I396 | E277-F281 PolarHBondContact O-N 3.23Å; A278-F281 WeakPolarHBondContact O-CB 3.22Å; A278-F281 PolarHBondContact O-N 2.93Å; V279-F281 VanDerWaalsContact C-N 3.32Å; V279-F281 PolarHBondContact O-N 3.24Å; F281-I283 VanDerWaalsContact C-N 3.33Å; F281-I283 PolarHBondContact O-N 3.15Å; F281-L284 WeakPolarHBondContact O-CB 3.49Å; F281-L284 PolarHBondContact O-N 3.49Å; F281-L284 VanDerWaalsContact O-N 3.14Å; F281-Y285 HydrophobicContact CE1-CD2 4.27Å; F281-Y285 HydrophobicContact CE1-CG 4.42Å; F281-Y285 AromaticContact CZ-CD2 3.9Å; F281-Y285 HydrophobicContact CZ-CD2 3.9Å; F281-Y285 HydrophobicContact CZ-CG 4.41Å; F281-Y285 PolarHBondContact O-N 2.94Å; F281-M353 HydrophobicContact CB-CE 3.47Å; F281-M353 VanDerWaalsContact CB-CE 3.47Å; F281-M353 HydrophobicContact CD2-CE 4.49Å; F281-M353 HydrophobicContact CG-CE 4.47Å; F281-E393 HydrophobicContact CE2-CB 4.19Å; F281-E393 HydrophobicContact CZ-CB 3.67Å; F281-E393 HydrophobicContact CZ-CG 3.95Å; F281-I396 HydrophobicContact CB-CD1 4.09Å; F281-I396 HydrophobicContact CB-CG2 3.93Å; F281-I396 HydrophobicContact CD1-CG2 4.19Å; F281-I396 HydrophobicContact CD2-CB 4.35Å; F281-I396 HydrophobicContact CD2-CD1 3.89Å; F281-I396 HydrophobicContact CG-CB 4.22Å; F281-I396 HydrophobicContact CG-CD1 4.17Å; F281-I396 HydrophobicContact CG-CG2 3.94Å |
| 282 | Y | 97.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -71.5 | -26.8 | -176.5 | -72.5 | -58.6 | 0 | 0 | 0 | 112.8 | A278 V279 V280 L284 Y285 A286 S397 W420 Q424 A427 F428 | A278-Y282 HydrophobicContact CB-CD2 4.42Å; A278-Y282 HydrophobicContact CB-CE2 4.25Å; A278-Y282 WeakPolarHBondContact O-CD2 3.49Å; A278-Y282 PolarHBondContact O-N 3.36Å; V279-Y282 PolarHBondContact O-N 2.88Å; V280-Y282 PolarHBondContact O-N 3.32Å; Y282-L284 VanDerWaalsContact C-N 3.31Å; Y282-Y285 PolarHBondContact O-N 3.46Å; Y282-A286 VanDerWaalsContact O-CB 3.32Å; Y282-A286 WeakPolarHBondContact O-CB 3.43Å; Y282-A286 PolarHBondContact O-N 2.93Å; Y282-S397 PolarHBondContact OH-OG 3.45Å; Y282-W420 HydrophobicContact CE2-CH2 4.38Å; Y282-W420 AromaticContact CE2-CZ2 3.93Å; Y282-W420 HydrophobicContact CE2-CZ2 3.93Å; Y282-W420 WeakPolarHBondContact OH-CZ2 3.47Å; Y282-Q424 HydrophobicContact CD1-CG 4.18Å; Y282-Q424 HydrophobicContact CD2-CB 4.48Å; Y282-Q424 HydrophobicContact CD2-CG 3.46Å; Y282-Q424 VanDerWaalsContact CD2-CG 3.46Å; Y282-Q424 HydrophobicContact CE1-CG 4.05Å; Y282-Q424 HydrophobicContact CE2-CG 3.29Å; Y282-Q424 HydrophobicContact CG-CG 3.93Å; Y282-A427 HydrophobicContact CG-CB 4.48Å; Y282-F428 HydrophobicContact CD1-CE2 4.25Å |
| 283 | I | 98.3 | Very high | 97 | Very high | 30 Ų | 30 | 13.6 Ų | 13.6 | 15% | 0.154 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 168.7 | -71.1 | 166.8 | 0 | 0 | 0 | 109.9 | V279 V280 F281 A286 Q287 A427 L430 V434 | V279-I283 HydrophobicContact CG1-CD1 4.04Å; V279-I283 WeakPolarHBondContact O-CG1 3.47Å; V279-I283 PolarHBondContact O-N 2.67Å; V280-I283 WeakPolarHBondContact O-CB 3.37Å; V280-I283 PolarHBondContact O-N 3.23Å; F281-I283 VanDerWaalsContact C-N 3.33Å; F281-I283 PolarHBondContact O-N 3.15Å; I283-A286 PolarHBondContact O-N 3.05Å; I283-Q287 PolarHBondContact O-NE2 3.36Å; I283-A427 HydrophobicContact CG1-CB 4.07Å; I283-A427 WeakPolarHBondContact CG1-O 3.45Å; I283-L430 HydrophobicContact CD1-CB 3.88Å; I283-L430 HydrophobicContact CD1-CD1 4.02Å; I283-L430 HydrophobicContact CG1-CB 3.9Å; I283-V434 HydrophobicContact CG2-CB 4.42Å; I283-V434 HydrophobicContact CG2-CG2 4.01Å |
| 284 | L | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 12.6 Ų | 12.6 | 5% | 0.047 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 177.8 | -60.7 | -179.6 | 0 | 0 | 0 | 111.6 | V280 F281 Y282 A286 Q287 C356 F360 I461 T465 | V280-L284 HydrophobicContact CG1-CD1 4.38Å; V280-L284 VanDerWaalsContact O-CG 3.32Å; V280-L284 WeakPolarHBondContact O-CG 3.03Å; V280-L284 PolarHBondContact O-N 3.38Å; V280-L284 VanDerWaalsContact O-N 3.17Å; F281-L284 WeakPolarHBondContact O-CB 3.49Å; F281-L284 PolarHBondContact O-N 3.49Å; F281-L284 VanDerWaalsContact O-N 3.14Å; Y282-L284 VanDerWaalsContact C-N 3.31Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 3.28Å; L284-Q287 VanDerWaalsContact O-CB 3.25Å; L284-Q287 WeakPolarHBondContact O-CB 3.41Å; L284-Q287 WeakPolarHBondContact O-CG 3.43Å; L284-Q287 PolarHBondContact O-N 3.3Å; L284-C356 HydrophobicContact CD1-CB 3.58Å; L284-F360 HydrophobicContact CB-CE2 3.84Å; L284-F360 HydrophobicContact CB-CZ 4.45Å; L284-F360 HydrophobicContact CD2-CD2 4.12Å; L284-F360 HydrophobicContact CD2-CE2 3.76Å; L284-F360 HydrophobicContact CD2-CZ 4.25Å; L284-F360 HydrophobicContact CG-CE2 4.26Å; L284-I461 HydrophobicContact CD2-CG2 3.21Å; L284-T465 HydrophobicContact CD1-CG2 3.55Å |
| 285 | Y | 96.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 12.6 Ų | 12.6 | 9% | 0.09 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 176.6 | -171.6 | -90.6 | 0 | 0 | 0 | 112 | F281 Y282 Q287 M288 N318 E393 F428 | F281-Y285 HydrophobicContact CE1-CD2 4.27Å; F281-Y285 HydrophobicContact CE1-CG 4.42Å; F281-Y285 AromaticContact CZ-CD2 3.9Å; F281-Y285 HydrophobicContact CZ-CD2 3.9Å; F281-Y285 HydrophobicContact CZ-CG 4.41Å; F281-Y285 PolarHBondContact O-N 2.94Å; Y282-Y285 PolarHBondContact O-N 3.46Å; Y285-Q287 PolarHBondContact O-N 3.18Å; Y285-Q287 VanDerWaalsContact O-N 3.08Å; Y285-M288 HydrophobicContact CE1-CE 4.21Å; Y285-M288 WeakPolarHBondContact O-CB 3.44Å; Y285-M288 PolarHBondContact O-N 3.11Å; Y285-M288 VanDerWaalsContact O-N 3.09Å; Y285-N318 PolarHBondContact OH-OD1 3.06Å; Y285-E393 WeakPolarHBondContact CE2-OE2 3.26Å; Y285-F428 HydrophobicContact CD1-CE1 4.34Å; Y285-F428 AromaticContact CD1-CZ 3.83Å; Y285-F428 HydrophobicContact CD1-CZ 3.83Å; Y285-F428 HydrophobicContact CE1-CZ 4.28Å |
| 286 | A | 97.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.017 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y282 I283 L284 M288 P289 T290 F428 | Y282-A286 VanDerWaalsContact O-CB 3.32Å; Y282-A286 WeakPolarHBondContact O-CB 3.43Å; Y282-A286 PolarHBondContact O-N 2.93Å; I283-A286 PolarHBondContact O-N 3.05Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 3.28Å; A286-M288 VanDerWaalsContact C-N 3.34Å; A286-P289 WeakPolarHBondContact O-CD 3.49Å; A286-T290 PolarHBondContact O-OG1 3.18Å; A286-F428 HydrophobicContact CB-CD1 3.66Å; A286-F428 HydrophobicContact CB-CE1 3.91Å; A286-F428 HydrophobicContact CB-CG 4.42Å |
| 287 | Q | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -23.6 | 174.5 | -56.8 | -43.7 | -69.3 | 0 | 0 | 112.8 | I283 L284 Y285 T290 S291 L292 F360 G431 | I283-Q287 PolarHBondContact O-NE2 3.36Å; L284-Q287 VanDerWaalsContact O-CB 3.25Å; L284-Q287 WeakPolarHBondContact O-CB 3.41Å; L284-Q287 WeakPolarHBondContact O-CG 3.43Å; L284-Q287 PolarHBondContact O-N 3.3Å; Y285-Q287 PolarHBondContact O-N 3.18Å; Y285-Q287 VanDerWaalsContact O-N 3.08Å; Q287-T290 WeakPolarHBondContact CA-OG1 3.34Å; Q287-T290 CarbonylContact O-C 3.54Å; Q287-T290 PolarHBondContact O-N 3.01Å; Q287-T290 PolarHBondContact O-OG1 3.04Å; Q287-S291 WeakPolarHBondContact CB-OG 3.45Å; Q287-S291 PolarHBondContact O-N 3.42Å; Q287-S291 PolarHBondContact OE1-OG 2.92Å; Q287-L292 HydrophobicContact CB-CD1 3.97Å; Q287-L292 HydrophobicContact CB-CG 4.25Å; Q287-L292 WeakPolarHBondContact O-CB 3.43Å; Q287-L292 PolarHBondContact O-N 2.98Å; Q287-F360 HydrophobicContact CB-CE1 4.15Å; Q287-F360 HydrophobicContact CB-CZ 3.74Å; Q287-F360 HydrophobicContact CG-CE1 4.03Å; Q287-F360 HydrophobicContact CG-CZ 3.63Å; Q287-G431 PolarHBondContact NE2-O 3.22Å |
| 288 | M | 97.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 11.1 Ų | 11.1 | 3% | 0.034 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -54.1 | -179.5 | 168.3 | 179.5 | 81.1 | 0 | 0 | 113.1 | Y285 A286 T290 N293 Q315 N318 Y386 | Y285-M288 HydrophobicContact CE1-CE 4.21Å; Y285-M288 WeakPolarHBondContact O-CB 3.44Å; Y285-M288 PolarHBondContact O-N 3.11Å; Y285-M288 VanDerWaalsContact O-N 3.09Å; A286-M288 VanDerWaalsContact C-N 3.34Å; M288-T290 VanDerWaalsContact C-N 3.29Å; M288-T290 PolarHBondContact O-N 2.96Å; M288-N293 WeakPolarHBondContact O-CB 3.49Å; M288-N293 PolarHBondContact O-N 3.27Å; M288-Q315 HydrophobicContact CG-CB 4.24Å; M288-Q315 HydrophobicContact CG-CG 3.86Å; M288-Q315 HydrophobicContact SD-CB 4.38Å; M288-N318 HydrophobicContact SD-CB 3.73Å; M288-Y386 HydrophobicContact CB-CE1 4.22Å; M288-Y386 HydrophobicContact CG-CE1 3.66Å; M288-Y386 HydrophobicContact SD-CE1 3.92Å |
| 289 | P | 97.2 | Very high | 97.7 | Very high | 8 Ų | 8 | 11.1 Ų | 11.1 | 5% | 0.052 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10 | 178.8 | 31.3 | -37.3 | 0 | 0 | 0 | 113.9 | A38 F56 A286 N293 | A38-P289 WeakPolarHBondContact CB-O 3.42Å; F56-P289 HydrophobicContact CD1-CG 4.26Å; F56-P289 HydrophobicContact CE1-CB 4.04Å; F56-P289 HydrophobicContact CE1-CG 3.35Å; F56-P289 HydrophobicContact CE2-CB 3.99Å; F56-P289 HydrophobicContact CE2-CG 4.22Å; F56-P289 HydrophobicContact CZ-CB 3.55Å; F56-P289 HydrophobicContact CZ-CG 3.34Å; A286-P289 WeakPolarHBondContact O-CD 3.49Å; P289-N293 PolarHBondContact O-ND2 3.27Å |
| 290 | T | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -106.6 | -174.3 | 59 | 0 | 0 | 0 | 0 | 110.6 | F53 F56 A286 Q287 M288 L292 N293 F294 A435 | F53-T290 HydrophobicContact CB-CG2 4.46Å; F53-T290 HydrophobicContact CD1-CG2 3.77Å; F53-T290 HydrophobicContact CE1-CG2 4.43Å; F53-T290 HydrophobicContact CG-CG2 4.33Å; F56-T290 HydrophobicContact CB-CG2 4.35Å; F56-T290 HydrophobicContact CD1-CG2 3.89Å; F56-T290 HydrophobicContact CG-CG2 4.16Å; A286-T290 PolarHBondContact O-OG1 3.18Å; Q287-T290 WeakPolarHBondContact CA-OG1 3.34Å; Q287-T290 CarbonylContact O-C 3.54Å; Q287-T290 PolarHBondContact O-N 3.01Å; Q287-T290 PolarHBondContact O-OG1 3.04Å; M288-T290 VanDerWaalsContact C-N 3.29Å; M288-T290 PolarHBondContact O-N 2.96Å; T290-L292 PolarHBondContact O-N 3.14Å; T290-N293 VanDerWaalsContact O-CB 3.28Å; T290-N293 WeakPolarHBondContact O-CB 3.38Å; T290-N293 PolarHBondContact O-N 3.32Å; T290-N293 VanDerWaalsContact O-N 3.09Å; T290-F294 WeakPolarHBondContact O-CD2 3.45Å; T290-F294 PolarHBondContact O-N 2.96Å; T290-A435 WeakPolarHBondContact OG1-CB 3.42Å |
| 291 | S | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.4 | -42.8 | -170.8 | 65.8 | 0 | 0 | 0 | 0 | 114 | Q287 N293 F294 F295 T438 | Q287-S291 WeakPolarHBondContact CB-OG 3.45Å; Q287-S291 PolarHBondContact O-N 3.42Å; Q287-S291 PolarHBondContact OE1-OG 2.92Å; S291-N293 VanDerWaalsContact C-N 3.34Å; S291-F294 PolarHBondContact O-N 3.38Å; S291-F295 WeakPolarHBondContact O-CB 3.25Å; S291-F295 PolarHBondContact O-N 3.45Å; S291-T438 WeakPolarHBondContact CB-OG1 3.42Å |
| 292 | L | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.7 | -33.3 | 179.7 | -74.3 | 166.2 | 0 | 0 | 0 | 111.8 | Q287 T290 A296 F360 A363 V385 F458 | Q287-L292 HydrophobicContact CB-CD1 3.97Å; Q287-L292 HydrophobicContact CB-CG 4.25Å; Q287-L292 WeakPolarHBondContact O-CB 3.43Å; Q287-L292 PolarHBondContact O-N 2.98Å; T290-L292 PolarHBondContact O-N 3.14Å; L292-A296 WeakPolarHBondContact O-CB 3.22Å; L292-A296 PolarHBondContact O-N 3.35Å; L292-F360 HydrophobicContact CD1-CE1 4.11Å; L292-F360 HydrophobicContact CD1-CZ 3.95Å; L292-F360 HydrophobicContact CG-CE1 4.37Å; L292-A363 HydrophobicContact CD2-CB 4.35Å; L292-V385 HydrophobicContact CD1-CG1 4.37Å; L292-V385 HydrophobicContact CD2-CG1 4.18Å; L292-F458 HydrophobicContact CD2-CE1 4.13Å; L292-F458 HydrophobicContact CD2-CE2 3.95Å; L292-F458 HydrophobicContact CD2-CZ 3.74Å; L292-F458 HydrophobicContact CG-CE1 4.39Å; L292-F458 HydrophobicContact CG-CZ 4.23Å |
| 293 | N | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.3 | -49.8 | 174.1 | -163.4 | 21.2 | 0 | 0 | 0 | 110.5 | V39 M288 P289 T290 S291 A296 I297 V312 Q315 | V39-N293 WeakPolarHBondContact CG2-ND2 3.44Å; M288-N293 WeakPolarHBondContact O-CB 3.49Å; M288-N293 PolarHBondContact O-N 3.27Å; P289-N293 PolarHBondContact O-ND2 3.27Å; T290-N293 VanDerWaalsContact O-CB 3.28Å; T290-N293 WeakPolarHBondContact O-CB 3.38Å; T290-N293 PolarHBondContact O-N 3.32Å; T290-N293 VanDerWaalsContact O-N 3.09Å; S291-N293 VanDerWaalsContact C-N 3.34Å; N293-A296 WeakPolarHBondContact O-CB 3.27Å; N293-A296 PolarHBondContact O-N 3.36Å; N293-A296 VanDerWaalsContact O-N 3.14Å; N293-I297 VanDerWaalsContact O-CG1 3.28Å; N293-I297 WeakPolarHBondContact O-CG1 3.2Å; N293-I297 PolarHBondContact O-N 3.48Å; N293-V312 WeakPolarHBondContact OD1-CA 3.41Å; N293-Q315 PolarHBondContact ND2-NE2 2.82Å; N293-Q315 PolarHBondContact OD1-NE2 2.97Å |
| 294 | F | 98 | Very high | 97.4 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 4% | 0.035 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.1 | -34.7 | -179.8 | -81.1 | -100.1 | 0 | 0 | 0 | 112.7 | A38 V39 V42 Q49 F53 T290 S291 A296 I297 N298 Y454 | A38-F294 HydrophobicContact CB-CE2 4Å; V39-F294 HydrophobicContact CG2-CE2 4.16Å; V39-F294 HydrophobicContact CG2-CZ 4.24Å; V42-F294 HydrophobicContact CB-CE1 4.25Å; V42-F294 HydrophobicContact CB-CZ 4.11Å; V42-F294 HydrophobicContact CG1-CE1 4.32Å; V42-F294 HydrophobicContact CG2-CE1 3.99Å; V42-F294 HydrophobicContact CG2-CZ 3.64Å; Q49-F294 HydrophobicContact CG-CD1 4.21Å; Q49-F294 HydrophobicContact CG-CE1 4.05Å; F53-F294 AromaticContact CE1-CD2 3.56Å; F53-F294 HydrophobicContact CE1-CD2 3.56Å; F53-F294 AromaticContact CE1-CE2 3.58Å; F53-F294 HydrophobicContact CE1-CE2 3.58Å; F53-F294 HydrophobicContact CE1-CG 4.33Å; F53-F294 HydrophobicContact CE1-CZ 4.36Å; F53-F294 HydrophobicContact CZ-CB 4.44Å; F53-F294 AromaticContact CZ-CD2 3.72Å; F53-F294 HydrophobicContact CZ-CD2 3.72Å; F53-F294 HydrophobicContact CZ-CE2 4.11Å; F53-F294 HydrophobicContact CZ-CG 4.04Å; T290-F294 WeakPolarHBondContact O-CD2 3.45Å; T290-F294 PolarHBondContact O-N 2.96Å; S291-F294 PolarHBondContact O-N 3.38Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 3.17Å; F294-I297 PolarHBondContact O-N 3.01Å; F294-N298 WeakPolarHBondContact O-CB 3.4Å; F294-N298 VanDerWaalsContact O-CG 3.32Å; F294-N298 PolarHBondContact O-N 3.15Å; F294-N298 PolarHBondContact O-ND2 3.5Å; F294-Y454 HydrophobicContact CB-CE1 4.25Å |
| 295 | F | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 168.2 | 172.7 | -110.6 | 0 | 0 | 0 | 111.9 | S291 I297 N298 N299 V300 T377 I382 L451 Y454 F458 | S291-F295 WeakPolarHBondContact O-CB 3.25Å; S291-F295 PolarHBondContact O-N 3.45Å; F295-I297 VanDerWaalsContact C-N 3.31Å; F295-I297 PolarHBondContact O-N 3.29Å; F295-N298 PolarHBondContact O-N 3.33Å; F295-N299 HydrophobicContact CD2-CB 3.58Å; F295-N299 HydrophobicContact CE2-CB 3.5Å; F295-N299 HydrophobicContact CZ-CB 4.42Å; F295-N299 WeakPolarHBondContact O-CA 3.44Å; F295-N299 PolarHBondContact O-N 3.47Å; F295-V300 HydrophobicContact CD1-CG2 4.18Å; F295-V300 HydrophobicContact CE1-CG2 3.82Å; F295-V300 HydrophobicContact CZ-CG2 4.15Å; F295-T377 HydrophobicContact CZ-CG2 4.23Å; F295-I382 HydrophobicContact CD1-CD1 3.69Å; F295-I382 HydrophobicContact CE1-CD1 3.63Å; F295-I382 HydrophobicContact CE1-CG1 4.46Å; F295-L451 HydrophobicContact CE2-CD1 3.92Å; F295-Y454 HydrophobicContact CB-CD1 4.02Å; F295-Y454 HydrophobicContact CB-CD2 4.28Å; F295-Y454 HydrophobicContact CB-CE1 4.48Å; F295-Y454 HydrophobicContact CB-CG 3.95Å; F295-Y454 AromaticContact CD2-CD2 3.96Å; F295-Y454 HydrophobicContact CD2-CD2 3.96Å; F295-Y454 AromaticContact CD2-CG 3.93Å; F295-Y454 HydrophobicContact CD2-CG 3.93Å; F295-Y454 HydrophobicContact CG-CG 4.39Å; F295-F458 HydrophobicContact CB-CE2 3.78Å; F295-F458 HydrophobicContact CB-CZ 3.91Å; F295-F458 AromaticContact CD1-CE2 3.87Å; F295-F458 HydrophobicContact CD1-CE2 3.87Å; F295-F458 HydrophobicContact CD2-CE2 4.04Å; F295-F458 AromaticContact CG-CE2 3.62Å; F295-F458 HydrophobicContact CG-CE2 3.62Å; F295-F458 HydrophobicContact CG-CZ 4.27Å |
| 296 | A | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.5 | -33.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L292 N293 F294 H302 F314 I382 | L292-A296 WeakPolarHBondContact O-CB 3.22Å; L292-A296 PolarHBondContact O-N 3.35Å; N293-A296 WeakPolarHBondContact O-CB 3.27Å; N293-A296 PolarHBondContact O-N 3.36Å; N293-A296 VanDerWaalsContact O-N 3.14Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 3.17Å; A296-H302 PolarHBondContact O-NE2 2.97Å; A296-H302 VanDerWaalsContact O-NE2 3.08Å; A296-F314 HydrophobicContact CB-CD2 3.99Å; A296-I382 HydrophobicContact CB-CD1 4.48Å |
| 297 | I | 97.6 | Very high | 96.8 | Very high | 23 Ų | 23 | 34.5 Ų | 34.5 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.8 | -45.5 | 174.6 | -64.7 | 164.4 | 0 | 0 | 0 | 111.1 | V39 N293 F294 F295 H302 P311 V312 | V39-I297 HydrophobicContact CG1-CD1 4.48Å; V39-I297 HydrophobicContact CG2-CD1 3.65Å; N293-I297 VanDerWaalsContact O-CG1 3.28Å; N293-I297 WeakPolarHBondContact O-CG1 3.2Å; N293-I297 PolarHBondContact O-N 3.48Å; F294-I297 PolarHBondContact O-N 3.01Å; F295-I297 VanDerWaalsContact C-N 3.31Å; F295-I297 PolarHBondContact O-N 3.29Å; I297-H302 PolarHBondContact O-CE1 2.82Å; I297-H302 VanDerWaalsContact O-CE1 3.27Å; I297-H302 PolarHBondContact O-NE2 2.97Å; I297-H302 VanDerWaalsContact O-NE2 3.17Å; I297-P311 HydrophobicContact CB-CB 4.43Å; I297-P311 HydrophobicContact CG1-CB 4Å; I297-P311 HydrophobicContact CG1-CG 4.11Å; I297-V312 HydrophobicContact CD1-CG2 3.81Å; I297-V312 HydrophobicContact CG1-CG2 4.02Å |
| 298 | N | 97.1 | Very high | 96.6 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -96.2 | -27.6 | -165.8 | -63.3 | -28.6 | 0 | 0 | 0 | 114.3 | F294 F295 L376 P447 Y454 | F294-N298 WeakPolarHBondContact O-CB 3.4Å; F294-N298 VanDerWaalsContact O-CG 3.32Å; F294-N298 PolarHBondContact O-N 3.15Å; F294-N298 PolarHBondContact O-ND2 3.5Å; F295-N298 PolarHBondContact O-N 3.33Å; N298-L376 WeakPolarHBondContact O-CD2 3.48Å; N298-P447 WeakPolarHBondContact O-CB 3.48Å; N298-Y454 HydrophobicContact CB-CE2 4.31Å; N298-Y454 PolarHBondContact ND2-OH 3.31Å; N298-Y454 VanDerWaalsContact ND2-OH 3.1Å |
| 299 | N | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -133.3 | 18.9 | -164.1 | -69.9 | 108.6 | 0 | 0 | 0 | 114.3 | F295 G375 T377 P447 T450 L451 Y454 | F295-N299 HydrophobicContact CD2-CB 3.58Å; F295-N299 HydrophobicContact CE2-CB 3.5Å; F295-N299 HydrophobicContact CZ-CB 4.42Å; F295-N299 WeakPolarHBondContact O-CA 3.44Å; F295-N299 PolarHBondContact O-N 3.47Å; N299-G375 PolarHBondContact ND2-O 3.01Å; N299-T377 PolarHBondContact O-N 2.95Å; N299-T377 PolarHBondContact O-OG1 2.79Å; N299-P447 PolarHBondContact ND2-O 3.38Å; N299-T450 VanDerWaalsContact CG-OG1 3.3Å; N299-T450 PolarHBondContact ND2-OG1 3.18Å; N299-T450 VanDerWaalsContact ND2-OG1 3.15Å; N299-T450 PolarHBondContact OD1-OG1 3.34Å; N299-L451 HydrophobicContact CB-CD1 3.93Å; N299-L451 WeakPolarHBondContact ND2-CB 3.21Å; N299-L451 PolarHBondContact ND2-N 3.17Å; N299-Y454 WeakPolarHBondContact OD1-CD2 3.38Å; N299-Y454 VanDerWaalsContact OD1-CE2 3.31Å; N299-Y454 WeakPolarHBondContact OD1-CE2 3.48Å |
| 300 | V | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -131.9 | 138.9 | -179.4 | 178 | 0 | 0 | 0 | 0 | 108.8 | F295 H302 F314 T377 P379 I382 | F295-V300 HydrophobicContact CD1-CG2 4.18Å; F295-V300 HydrophobicContact CE1-CG2 3.82Å; F295-V300 HydrophobicContact CZ-CG2 4.15Å; V300-H302 PolarHBondContact O-CD2 2.77Å; V300-H302 PolarHBondContact O-NE2 2.78Å; V300-F314 HydrophobicContact CG1-CE2 4.19Å; V300-F314 HydrophobicContact CG1-CZ 4.28Å; V300-T377 WeakPolarHBondContact CA-O 3.39Å; V300-T377 WeakPolarHBondContact CG2-OG1 3.41Å; V300-P379 HydrophobicContact CG1-CB 3.88Å; V300-I382 HydrophobicContact CB-CG1 4.4Å; V300-I382 HydrophobicContact CG1-CG1 3.99Å; V300-I382 HydrophobicContact CG2-CD1 4.06Å; V300-I382 HydrophobicContact CG2-CG1 3.6Å |
| 301 | H | 97.8 | Very high | 96.6 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | trans | -66.4 | 133.2 | 170.6 | -76.9 | -73 | 0 | 0 | 0 | 110.9 | E303 D372 L376 T377 P379 | H301-E303 PolarHBondContact O-N 2.87Å; H301-D372 IonicContact CD2-OD2 3.99Å; H301-D372 IonicContact CE1-OD2 3.98Å; H301-D372 IonicContact NE2-OD2 3.77Å; H301-D372 PolarHBondContact NE2-OD2 3.17Å; H301-L376 VanDerWaalsContact CE1-CD1 3.41Å; H301-L376 WeakPolarHBondContact CE1-CD1 3.35Å; H301-L376 WeakPolarHBondContact NE2-CB 3.41Å; H301-T377 PolarHBondContact N-O 3.36Å; H301-P379 WeakPolarHBondContact O-CB 3.4Å; H301-P379 WeakPolarHBondContact O-CG 3.43Å | ||
| 302 | H | 96.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 43.8 Ų | 43.8 | 28% | 0.282 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -89 | 30 | -174 | -58.5 | 160.2 | 0 | 0 | 0 | 113 | A296 I297 V300 S308 I309 | A296-H302 PolarHBondContact O-NE2 2.97Å; A296-H302 VanDerWaalsContact O-NE2 3.08Å; I297-H302 PolarHBondContact O-CE1 2.82Å; I297-H302 VanDerWaalsContact O-CE1 3.27Å; I297-H302 PolarHBondContact O-NE2 2.97Å; I297-H302 VanDerWaalsContact O-NE2 3.17Å; V300-H302 PolarHBondContact O-CD2 2.77Å; V300-H302 PolarHBondContact O-NE2 2.78Å; H302-S308 CarbonylContact O-C 3.6Å; H302-S308 WeakPolarHBondContact O-CA 3.04Å; H302-I309 WeakPolarHBondContact CB-O 3.42Å; H302-I309 PolarHBondContact O-N 2.93Å |
| 303 | E | 96 | Very high | 96.6 | Very high | 122 Ų | 122 | 44.5 Ų | 44.5 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 121.5 | -178.6 | -67.2 | -174.1 | -178.7 | 0 | 0 | 112.2 | H301 F307 P379 | H301-E303 PolarHBondContact O-N 2.87Å; E303-F307 WeakPolarHBondContact CA-O 3.38Å; E303-P379 WeakPolarHBondContact O-CG 3.4Å |
| 304 | I | 92.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.1 | 169.5 | -64 | 169.5 | 0 | 0 | 0 | 108.4 | G306 F307 I309 F314 P379 W380 V383 | I304-G306 PolarHBondContact O-N 2.89Å; I304-G306 VanDerWaalsContact O-N 3.12Å; I304-F307 PolarHBondContact N-O 3.49Å; I304-F307 PolarHBondContact O-N 2.94Å; I304-I309 HydrophobicContact CB-CD1 3.58Å; I304-I309 HydrophobicContact CD1-CD1 3.46Å; I304-I309 VanDerWaalsContact CD1-CD1 3.46Å; I304-I309 HydrophobicContact CG1-CD1 3.68Å; I304-F314 HydrophobicContact CD1-CD1 4.45Å; I304-F314 HydrophobicContact CD1-CE1 3.6Å; I304-F314 HydrophobicContact CD1-CZ 4.41Å; I304-F314 HydrophobicContact CG1-CE1 4.29Å; I304-P379 HydrophobicContact CD1-CB 4.38Å; I304-P379 HydrophobicContact CG1-CB 3.88Å; I304-P379 HydrophobicContact CG1-CG 3.93Å; I304-W380 HydrophobicContact CG2-CH2 4.23Å; I304-W380 HydrophobicContact CG2-CZ2 3.99Å; I304-V383 HydrophobicContact CD1-CG2 4.09Å |
| 305 | L | 92.7 | Very high | 96.6 | Very high | 138 Ų | 138 | 44.3 Ų | 44.3 | 72% | 0.723 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 29.9 | 179.3 | -58.4 | 170 | 0 | 0 | 0 | 113.2 | F307 W380 | L305-F307 VanDerWaalsContact C-N 3.32Å; L305-F307 HydrophobicContact CB-CD2 4.35Å; L305-W380 HydrophobicContact CD2-CZ2 4.07Å; L305-W380 HydrophobicContact CG-CZ2 4.23Å |
| 306 | G | 91.8 | Very high | 96.6 | Very high | 62 Ų | 62 | 44.8 Ų | 44.8 | 64% | 0.639 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 1.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | I304 | I304-G306 PolarHBondContact O-N 2.89Å; I304-G306 VanDerWaalsContact O-N 3.12Å |
| 307 | F | 93.7 | Very high | 96.6 | Very high | 152 Ų | 152 | 46 Ų | 46 | 67% | 0.667 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.4 | 173.5 | -61.4 | -79.9 | 0 | 0 | 0 | 110.5 | E303 I304 L305 I309 | E303-F307 WeakPolarHBondContact CA-O 3.38Å; I304-F307 PolarHBondContact N-O 3.49Å; I304-F307 PolarHBondContact O-N 2.94Å; L305-F307 VanDerWaalsContact C-N 3.32Å; L305-F307 HydrophobicContact CB-CD2 4.35Å; F307-I309 PolarHBondContact O-N 3.29Å |
| 308 | S | 95.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 128.2 | 172 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | H302 | H302-S308 CarbonylContact O-C 3.6Å; H302-S308 WeakPolarHBondContact O-CA 3.04Å |
| 309 | I | 96.3 | Very high | 96.6 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.256 | 24% | 0.239 | S | C | . | . | trans | -120.6 | 135.2 | -177.9 | -69.2 | 172.9 | 0 | 0 | 0 | 108.4 | H302 I304 F307 F314 | H302-I309 WeakPolarHBondContact CB-O 3.42Å; H302-I309 PolarHBondContact O-N 2.93Å; I304-I309 HydrophobicContact CB-CD1 3.58Å; I304-I309 HydrophobicContact CD1-CD1 3.46Å; I304-I309 VanDerWaalsContact CD1-CD1 3.46Å; I304-I309 HydrophobicContact CG1-CD1 3.68Å; F307-I309 PolarHBondContact O-N 3.29Å; I309-F314 HydrophobicContact CG2-CE1 4.49Å; I309-F314 HydrophobicContact CG2-CZ 4.44Å | ||
| 310 | N | 97.5 | Very high | 96.5 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | trans | -62.8 | 126.7 | 171.5 | -178.3 | -70.4 | 0 | 0 | 0 | 109.6 | P164 V165 V312 S313 | P164-N310 WeakPolarHBondContact CB-OD1 3.5Å; P164-N310 PolarHBondContact O-ND2 2.95Å; V165-N310 HydrophobicContact CG2-CB 3.95Å; N310-V312 VanDerWaalsContact C-N 3.25Å; N310-V312 PolarHBondContact O-N 2.79Å; N310-V312 WeakPolarHBondContact OD1-CB 3.33Å; N310-V312 PolarHBondContact OD1-N 3.48Å; N310-S313 WeakPolarHBondContact O-CA 3.4Å; N310-S313 VanDerWaalsContact O-CB 3.27Å; N310-S313 WeakPolarHBondContact O-CB 3.35Å; N310-S313 PolarHBondContact O-N 3.14Å; N310-S313 PolarHBondContact OD1-N 3.28Å | ||
| 311 | P | 97.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -62.1 | -31.3 | -173.8 | 20.2 | -32.2 | 0 | 0 | 0 | 114 | I297 S313 F314 | I297-P311 HydrophobicContact CB-CB 4.43Å; I297-P311 HydrophobicContact CG1-CB 4Å; I297-P311 HydrophobicContact CG1-CG 4.11Å; P311-S313 PolarHBondContact O-N 3.46Å; P311-F314 HydrophobicContact CB-CD2 4.4Å; P311-F314 WeakPolarHBondContact O-CB 3.47Å; P311-F314 WeakPolarHBondContact O-CD2 3.26Å; P311-F314 PolarHBondContact O-N 3.23Å |
| 312 | V | 98 | Very high | 96.4 | Very high | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -71.2 | -27.6 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | G35 V36 V39 P164 N293 I297 N310 F314 Q315 | G35-V312 WeakPolarHBondContact O-CG1 3.33Å; V36-V312 HydrophobicContact CG1-CG1 4.33Å; V39-V312 HydrophobicContact CG2-CG2 3.92Å; P164-V312 HydrophobicContact CB-CB 3.7Å; P164-V312 HydrophobicContact CB-CG1 3.79Å; P164-V312 HydrophobicContact CG-CB 4.07Å; P164-V312 HydrophobicContact CG-CG1 3.71Å; N293-V312 WeakPolarHBondContact OD1-CA 3.41Å; I297-V312 HydrophobicContact CD1-CG2 3.81Å; I297-V312 HydrophobicContact CG1-CG2 4.02Å; N310-V312 VanDerWaalsContact C-N 3.25Å; N310-V312 PolarHBondContact O-N 2.79Å; N310-V312 WeakPolarHBondContact OD1-CB 3.33Å; N310-V312 PolarHBondContact OD1-N 3.48Å; V312-F314 PolarHBondContact O-N 3.45Å; V312-Q315 WeakPolarHBondContact O-CG 3.44Å; V312-Q315 PolarHBondContact O-N 3.42Å; V312-Q315 PolarHBondContact O-NE2 3.24Å; V312-Q315 VanDerWaalsContact O-NE2 3.13Å |
| 313 | S | 98.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -69.8 | -9.7 | 175 | -63.5 | 0 | 0 | 0 | 0 | 114 | L160 S161 N310 P311 Q315 A316 | L160-S313 WeakPolarHBondContact O-CA 3.37Å; L160-S313 PolarHBondContact O-OG 3.07Å; S161-S313 PolarHBondContact O-OG 3.45Å; N310-S313 WeakPolarHBondContact O-CA 3.4Å; N310-S313 VanDerWaalsContact O-CB 3.27Å; N310-S313 WeakPolarHBondContact O-CB 3.35Å; N310-S313 PolarHBondContact O-N 3.14Å; N310-S313 PolarHBondContact OD1-N 3.28Å; P311-S313 PolarHBondContact O-N 3.46Å; S313-Q315 PolarHBondContact O-N 3.4Å; S313-Q315 VanDerWaalsContact O-N 3.15Å; S313-A316 WeakPolarHBondContact O-CB 3.46Å; S313-A316 PolarHBondContact O-N 3.34Å |
| 314 | F | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -57.7 | -26.5 | 169.8 | -78.8 | -63.9 | 0 | 0 | 0 | 112.3 | A296 V300 I304 I309 P311 V312 A316 L317 P379 I382 Y386 | A296-F314 HydrophobicContact CB-CD2 3.99Å; V300-F314 HydrophobicContact CG1-CE2 4.19Å; V300-F314 HydrophobicContact CG1-CZ 4.28Å; I304-F314 HydrophobicContact CD1-CD1 4.45Å; I304-F314 HydrophobicContact CD1-CE1 3.6Å; I304-F314 HydrophobicContact CD1-CZ 4.41Å; I304-F314 HydrophobicContact CG1-CE1 4.29Å; I309-F314 HydrophobicContact CG2-CE1 4.49Å; I309-F314 HydrophobicContact CG2-CZ 4.44Å; P311-F314 HydrophobicContact CB-CD2 4.4Å; P311-F314 WeakPolarHBondContact O-CB 3.47Å; P311-F314 WeakPolarHBondContact O-CD2 3.26Å; P311-F314 PolarHBondContact O-N 3.23Å; V312-F314 PolarHBondContact O-N 3.45Å; F314-A316 PolarHBondContact O-N 2.92Å; F314-A316 VanDerWaalsContact O-N 3.14Å; F314-L317 HydrophobicContact CB-CD1 4.4Å; F314-L317 HydrophobicContact CD1-CD1 3.82Å; F314-L317 WeakPolarHBondContact O-CB 3.44Å; F314-L317 WeakPolarHBondContact O-CD1 3.24Å; F314-L317 VanDerWaalsContact O-CG 3.3Å; F314-L317 WeakPolarHBondContact O-CG 3.5Å; F314-L317 PolarHBondContact O-N 3.08Å; F314-P379 HydrophobicContact CE1-CB 3.89Å; F314-P379 HydrophobicContact CZ-CB 3.7Å; F314-I382 HydrophobicContact CB-CG2 3.82Å; F314-I382 HydrophobicContact CD1-CG2 3.8Å; F314-I382 HydrophobicContact CG-CG2 3.85Å; F314-Y386 HydrophobicContact CB-CE2 4.19Å; F314-Y386 WeakPolarHBondContact O-CD2 3.31Å; F314-Y386 WeakPolarHBondContact O-CE2 3.27Å |
| 315 | Q | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -57.2 | -26.7 | 173.3 | -67.3 | 176.6 | 76.2 | 0 | 0 | 113 | G35 L160 M288 N293 V312 S313 L317 N318 P319 | G35-Q315 PolarHBondContact O-NE2 2.99Å; L160-Q315 HydrophobicContact CD1-CB 4.22Å; L160-Q315 HydrophobicContact CD2-CB 4.17Å; M288-Q315 HydrophobicContact CG-CB 4.24Å; M288-Q315 HydrophobicContact CG-CG 3.86Å; M288-Q315 HydrophobicContact SD-CB 4.38Å; N293-Q315 PolarHBondContact ND2-NE2 2.82Å; N293-Q315 PolarHBondContact OD1-NE2 2.97Å; V312-Q315 WeakPolarHBondContact O-CG 3.44Å; V312-Q315 PolarHBondContact O-N 3.42Å; V312-Q315 PolarHBondContact O-NE2 3.24Å; V312-Q315 VanDerWaalsContact O-NE2 3.13Å; S313-Q315 PolarHBondContact O-N 3.4Å; S313-Q315 VanDerWaalsContact O-N 3.15Å; Q315-L317 PolarHBondContact O-N 3.34Å; Q315-L317 VanDerWaalsContact O-N 3.15Å; Q315-N318 PolarHBondContact O-N 3.11Å; Q315-N318 VanDerWaalsContact O-N 3.08Å; Q315-P319 WeakPolarHBondContact O-CD 3.43Å |
| 316 | A | 98 | Very high | 96.2 | Very high | 9 Ų | 9 | 37 Ų | 37 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -63.2 | -18.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L157 L160 S161 S313 F314 N318 P319 F320 | L157-A316 HydrophobicContact CD1-CB 4.14Å; L157-A316 VanDerWaalsContact CD1-O 3.31Å; L157-A316 WeakPolarHBondContact CD1-O 3.49Å; L160-A316 HydrophobicContact CB-CB 3.85Å; S161-A316 WeakPolarHBondContact OG-CB 3.08Å; S313-A316 WeakPolarHBondContact O-CB 3.46Å; S313-A316 PolarHBondContact O-N 3.34Å; F314-A316 PolarHBondContact O-N 2.92Å; F314-A316 VanDerWaalsContact O-N 3.14Å; A316-N318 PolarHBondContact O-N 2.99Å; A316-P319 VanDerWaalsContact O-CD 3.3Å; A316-P319 WeakPolarHBondContact O-CD 3.45Å; A316-P319 WeakPolarHBondContact O-CG 3.32Å; A316-F320 VanDerWaalsContact O-CB 3.32Å; A316-F320 WeakPolarHBondContact O-CB 3.4Å; A316-F320 PolarHBondContact O-N 2.88Å; A316-F320 VanDerWaalsContact O-N 3.11Å |
| 317 | L | 97.9 | Very high | 96.1 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -31.2 | 173.1 | -69 | 165 | 0 | 0 | 0 | 111.8 | F314 Q315 F320 W321 I382 V383 Y386 | F314-L317 HydrophobicContact CB-CD1 4.4Å; F314-L317 HydrophobicContact CD1-CD1 3.82Å; F314-L317 WeakPolarHBondContact O-CB 3.44Å; F314-L317 WeakPolarHBondContact O-CD1 3.24Å; F314-L317 VanDerWaalsContact O-CG 3.3Å; F314-L317 WeakPolarHBondContact O-CG 3.5Å; F314-L317 PolarHBondContact O-N 3.08Å; Q315-L317 PolarHBondContact O-N 3.34Å; Q315-L317 VanDerWaalsContact O-N 3.15Å; L317-F320 PolarHBondContact O-N 3.04Å; L317-W321 WeakPolarHBondContact O-CB 3.3Å; L317-W321 PolarHBondContact O-N 2.9Å; L317-I382 HydrophobicContact CD1-CG2 4.01Å; L317-V383 HydrophobicContact CD1-CG2 4.03Å; L317-V383 HydrophobicContact CD2-CG2 4.35Å; L317-Y386 HydrophobicContact CB-CD2 3.83Å; L317-Y386 HydrophobicContact CB-CG 3.77Å; L317-Y386 HydrophobicContact CD1-CD2 3.75Å; L317-Y386 HydrophobicContact CD1-CG 4.45Å; L317-Y386 HydrophobicContact CG-CD2 4.43Å |
| 318 | N | 97.6 | Very high | 96 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.3 | -63 | 177.8 | 168.8 | -112.2 | 0 | 0 | 0 | 111.9 | Y285 M288 Q315 A316 F320 W321 V322 Y386 S390 E393 | Y285-N318 PolarHBondContact OH-OD1 3.06Å; M288-N318 HydrophobicContact SD-CB 3.73Å; Q315-N318 PolarHBondContact O-N 3.11Å; Q315-N318 VanDerWaalsContact O-N 3.08Å; A316-N318 PolarHBondContact O-N 2.99Å; N318-F320 VanDerWaalsContact C-N 3.28Å; N318-F320 PolarHBondContact O-N 3.37Å; N318-W321 PolarHBondContact O-N 2.96Å; N318-V322 WeakPolarHBondContact O-CG2 3.41Å; N318-V322 PolarHBondContact O-N 3.47Å; N318-Y386 HydrophobicContact CB-CD1 3.93Å; N318-Y386 HydrophobicContact CB-CE1 4.38Å; N318-S390 VanDerWaalsContact CA-OG 3.24Å; N318-S390 WeakPolarHBondContact CA-OG 3.29Å; N318-S390 PolarHBondContact ND2-OG 3.2Å; N318-S390 PolarHBondContact O-OG 3.04Å; N318-E393 PolarHBondContact ND2-OE2 3.27Å; N318-E393 PolarHBondContact OD1-OE2 3.38Å |
| 319 | P | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.3 | -28.6 | 178.8 | 26.3 | -35.7 | 0 | 0 | 0 | 113 | N153 S156 L157 L160 Q315 A316 V322 V323 | N153-P319 HydrophobicContact CB-CB 4.45Å; S156-P319 WeakPolarHBondContact OG-CB 3.37Å; L157-P319 HydrophobicContact CB-CB 4.08Å; L157-P319 HydrophobicContact CB-CG 3.99Å; L157-P319 HydrophobicContact CD1-CG 4.24Å; L160-P319 HydrophobicContact CD1-CG 4.14Å; Q315-P319 WeakPolarHBondContact O-CD 3.43Å; A316-P319 VanDerWaalsContact O-CD 3.3Å; A316-P319 WeakPolarHBondContact O-CD 3.45Å; A316-P319 WeakPolarHBondContact O-CG 3.32Å; P319-V322 PolarHBondContact O-N 2.93Å; P319-V323 WeakPolarHBondContact O-CB 3.38Å; P319-V323 VanDerWaalsContact O-CG2 3.3Å; P319-V323 WeakPolarHBondContact O-CG2 3.31Å; P319-V323 PolarHBondContact O-N 3.02Å |
| 320 | F | 97.3 | Very high | 95.4 | Very high | 89 Ų | 89 | 31.6 Ų | 31.6 | 39% | 0.39 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.2 | -52 | 171.8 | 169.3 | -98.2 | 0 | 0 | 0 | 111.4 | L157 A316 L317 N318 V322 V323 L324 | L157-F320 HydrophobicContact CD1-CB 3.88Å; A316-F320 VanDerWaalsContact O-CB 3.32Å; A316-F320 WeakPolarHBondContact O-CB 3.4Å; A316-F320 PolarHBondContact O-N 2.88Å; A316-F320 VanDerWaalsContact O-N 3.11Å; L317-F320 PolarHBondContact O-N 3.04Å; N318-F320 VanDerWaalsContact C-N 3.28Å; N318-F320 PolarHBondContact O-N 3.37Å; F320-V322 VanDerWaalsContact C-N 3.35Å; F320-V322 PolarHBondContact O-N 2.89Å; F320-V323 PolarHBondContact O-N 2.86Å; F320-L324 HydrophobicContact CE1-CD2 4.06Å; F320-L324 HydrophobicContact CZ-CD2 3.96Å; F320-L324 WeakPolarHBondContact O-CB 3.34Å; F320-L324 PolarHBondContact O-N 3.09Å |
| 321 | W | 97.4 | Very high | 95 | Very high | 45 Ų | 45 | 32.2 Ų | 32.2 | 17% | 0.17 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.7 | -36.5 | 178.4 | -72.5 | 127 | 0 | 0 | 0 | 112.3 | L317 N318 L324 A325 V383 L387 | L317-W321 WeakPolarHBondContact O-CB 3.3Å; L317-W321 PolarHBondContact O-N 2.9Å; N318-W321 PolarHBondContact O-N 2.96Å; W321-L324 HydrophobicContact CE3-CD2 3.9Å; W321-L324 HydrophobicContact CZ3-CD2 3.65Å; W321-L324 PolarHBondContact O-N 2.7Å; W321-A325 WeakPolarHBondContact O-CB 3.12Å; W321-A325 PolarHBondContact O-N 2.79Å; W321-V383 HydrophobicContact CZ2-CG1 3.62Å; W321-V383 PolarHBondContact NE1-O 2.95Å; W321-V383 VanDerWaalsContact NE1-O 3.15Å; W321-L387 VanDerWaalsContact CD1-CA 3.43Å; W321-L387 VanDerWaalsContact CD1-N 3.29Å; W321-L387 HydrophobicContact CD2-CB 4.08Å; W321-L387 HydrophobicContact CD2-CD1 3.73Å; W321-L387 HydrophobicContact CD2-CG 4.49Å; W321-L387 HydrophobicContact CE3-CD1 3.64Å; W321-L387 HydrophobicContact CG-CB 4.23Å; W321-L387 HydrophobicContact CG-CD1 4.17Å; W321-L387 HydrophobicContact CZ2-CB 4.25Å; W321-L387 HydrophobicContact CZ3-CD1 4.04Å |
| 322 | V | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 174.8 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | Y149 N153 N318 P319 F320 L324 S326 L394 | Y149-V322 HydrophobicContact CE1-CG1 3.77Å; Y149-V322 WeakPolarHBondContact OH-CG1 3.29Å; N153-V322 VanDerWaalsContact CG-CG1 3.5Å; N153-V322 WeakPolarHBondContact OD1-CG1 3.37Å; N318-V322 WeakPolarHBondContact O-CG2 3.41Å; N318-V322 PolarHBondContact O-N 3.47Å; P319-V322 PolarHBondContact O-N 2.93Å; F320-V322 VanDerWaalsContact C-N 3.35Å; F320-V322 PolarHBondContact O-N 2.89Å; V322-L324 PolarHBondContact O-N 3.2Å; V322-S326 VanDerWaalsContact O-CB 3.22Å; V322-S326 WeakPolarHBondContact O-CB 3.41Å; V322-S326 PolarHBondContact O-N 2.82Å; V322-S326 PolarHBondContact O-OG 3.48Å; V322-L394 HydrophobicContact CG1-CD2 3.93Å |
| 323 | V | 93.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 36.7 Ų | 36.7 | 26% | 0.261 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.7 | -45 | 177.6 | 165.2 | 0 | 0 | 0 | 0 | 111.5 | M150 N153 P319 F320 P327 | M150-V323 HydrophobicContact CE-CB 4.29Å; M150-V323 HydrophobicContact CE-CG1 3.95Å; M150-V323 HydrophobicContact CE-CG2 3.89Å; N153-V323 HydrophobicContact CB-CG2 3.69Å; P319-V323 WeakPolarHBondContact O-CB 3.38Å; P319-V323 VanDerWaalsContact O-CG2 3.3Å; P319-V323 WeakPolarHBondContact O-CG2 3.31Å; P319-V323 PolarHBondContact O-N 3.02Å; F320-V323 PolarHBondContact O-N 2.86Å; V323-P327 WeakPolarHBondContact O-CD 3.3Å |
| 324 | L | 94.7 | Very high | 93.5 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 41% | 0.408 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73.5 | -42.7 | -176.3 | -177.6 | 59.6 | 0 | 0 | 0 | 113 | F320 W321 V322 P327 | F320-L324 HydrophobicContact CE1-CD2 4.06Å; F320-L324 HydrophobicContact CZ-CD2 3.96Å; F320-L324 WeakPolarHBondContact O-CB 3.34Å; F320-L324 PolarHBondContact O-N 3.09Å; W321-L324 HydrophobicContact CE3-CD2 3.9Å; W321-L324 HydrophobicContact CZ3-CD2 3.65Å; W321-L324 PolarHBondContact O-N 2.7Å; V322-L324 PolarHBondContact O-N 3.2Å; L324-P327 WeakPolarHBondContact O-CD 3.38Å; L324-P327 WeakPolarHBondContact O-CG 3.16Å |
| 325 | A | 94.5 | Very high | 93.1 | Very high | 10 Ų | 10 | 45 Ų | 45 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -82.1 | -23.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W321 I328 L329 L391 L394 | W321-A325 WeakPolarHBondContact O-CB 3.12Å; W321-A325 PolarHBondContact O-N 2.79Å; A325-I328 WeakPolarHBondContact O-CB 3.25Å; A325-I328 PolarHBondContact O-N 2.94Å; A325-L329 PolarHBondContact O-N 3.43Å; A325-L391 HydrophobicContact CB-CD2 3.96Å; A325-L394 HydrophobicContact CB-CD1 3.74Å |
| 326 | S | 91.4 | Very high | 92.6 | Very high | 27 Ų | 27 | 47 Ų | 47 | 19% | 0.189 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.5 | -55.7 | 177.4 | -72.3 | 0 | 0 | 0 | 0 | 114 | V322 I328 L329 A330 L394 | V322-S326 VanDerWaalsContact O-CB 3.22Å; V322-S326 WeakPolarHBondContact O-CB 3.41Å; V322-S326 PolarHBondContact O-N 2.82Å; V322-S326 PolarHBondContact O-OG 3.48Å; S326-I328 VanDerWaalsContact C-N 3.28Å; S326-I328 PolarHBondContact O-N 3.27Å; S326-L329 PolarHBondContact O-N 3.35Å; S326-A330 WeakPolarHBondContact O-CB 3.34Å; S326-A330 PolarHBondContact O-N 3Å; S326-L394 WeakPolarHBondContact OG-CD2 3.47Å |
| 327 | P | 89.8 | Confident | 92 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65 | -32.1 | 179.1 | 25.2 | -34.6 | 0 | 0 | 0 | 112.7 | V323 L324 A330 G331 | V323-P327 WeakPolarHBondContact O-CD 3.3Å; L324-P327 WeakPolarHBondContact O-CD 3.38Å; L324-P327 WeakPolarHBondContact O-CG 3.16Å; P327-A330 PolarHBondContact O-N 2.89Å; P327-G331 PolarHBondContact O-N 3.1Å |
| 328 | I | 93.2 | Very high | 91.3 | Very high | 102 Ų | 102 | 52.9 Ų | 52.9 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66 | -49.3 | 177.7 | -58.3 | 174.3 | 0 | 0 | 0 | 109.9 | A325 S326 A330 G331 I332 | A325-I328 WeakPolarHBondContact O-CB 3.25Å; A325-I328 PolarHBondContact O-N 2.94Å; S326-I328 VanDerWaalsContact C-N 3.28Å; S326-I328 PolarHBondContact O-N 3.27Å; I328-A330 VanDerWaalsContact C-N 3.35Å; I328-A330 PolarHBondContact O-N 3.35Å; I328-G331 PolarHBondContact O-N 2.9Å; I328-I332 HydrophobicContact CG2-CD1 4.14Å; I328-I332 WeakPolarHBondContact O-CG1 3.38Å; I328-I332 PolarHBondContact O-N 3.44Å |
| 329 | L | 90.7 | Very high | 90.9 | Very high | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.8 | -72.7 | -178.9 | 0 | 0 | 0 | 112 | A325 S326 G331 I332 Y333 L391 L394 F395 | A325-L329 PolarHBondContact O-N 3.43Å; S326-L329 PolarHBondContact O-N 3.35Å; L329-G331 VanDerWaalsContact C-N 3.3Å; L329-G331 PolarHBondContact O-N 3.16Å; L329-I332 HydrophobicContact CD2-CD1 4.31Å; L329-I332 PolarHBondContact O-N 3.41Å; L329-Y333 HydrophobicContact CB-CE2 4.31Å; L329-Y333 WeakPolarHBondContact O-CD2 3.22Å; L329-Y333 VanDerWaalsContact O-CG 3.27Å; L329-Y333 PolarHBondContact O-N 2.9Å; L329-L391 HydrophobicContact CD1-CD2 4.31Å; L329-L394 HydrophobicContact CD1-CB 3.61Å; L329-L394 HydrophobicContact CD1-CD1 3.56Å; L329-L394 HydrophobicContact CD1-CG 4.19Å; L329-F395 HydrophobicContact CD1-CZ 4.47Å; L329-F395 HydrophobicContact CD2-CE1 4.31Å; L329-F395 HydrophobicContact CD2-CZ 3.9Å |
| 330 | A | 87.8 | Confident | 90.3 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S326 P327 I328 Y333 T334 | S326-A330 WeakPolarHBondContact O-CB 3.34Å; S326-A330 PolarHBondContact O-N 3Å; P327-A330 PolarHBondContact O-N 2.89Å; I328-A330 VanDerWaalsContact C-N 3.35Å; I328-A330 PolarHBondContact O-N 3.35Å; A330-Y333 PolarHBondContact O-N 3.48Å; A330-T334 WeakPolarHBondContact O-CB 3.37Å; A330-T334 PolarHBondContact O-N 3.05Å; A330-T334 PolarHBondContact O-OG1 3.26Å |
| 331 | G | 89 | Confident | 89.8 | Confident | 40 Ų | 40 | 65 Ų | 65 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P327 I328 L329 T334 H335 | P327-G331 PolarHBondContact O-N 3.1Å; I328-G331 PolarHBondContact O-N 2.9Å; L329-G331 VanDerWaalsContact C-N 3.3Å; L329-G331 PolarHBondContact O-N 3.16Å; G331-T334 PolarHBondContact O-N 2.61Å; G331-H335 WeakPolarHBondContact O-CB 2.96Å; G331-H335 PolarHBondContact O-N 3.39Å |
| 332 | I | 90.1 | Very high | 89.2 | Confident | 78 Ų | 78 | 68 Ų | 68 | 40% | 0.4 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 175.9 | -68.1 | 165.9 | 0 | 0 | 0 | 110.8 | I328 L329 H335 L336 | I328-I332 HydrophobicContact CG2-CD1 4.14Å; I328-I332 WeakPolarHBondContact O-CG1 3.38Å; I328-I332 PolarHBondContact O-N 3.44Å; L329-I332 HydrophobicContact CD2-CD1 4.31Å; L329-I332 PolarHBondContact O-N 3.41Å; I332-H335 PolarHBondContact O-N 3.06Å; I332-L336 HydrophobicContact CG2-CD1 3.86Å; I332-L336 HydrophobicContact CG2-CG 4.36Å; I332-L336 WeakPolarHBondContact O-CB 3.32Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.35Å; I332-L336 PolarHBondContact O-N 3.38Å |
| 333 | Y | 86.7 | Confident | 88.9 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 18% | 0.184 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 178.1 | -64 | -30.2 | 0 | 0 | 0 | 112 | L329 A330 H335 L336 G337 L343 K348 F395 | L329-Y333 HydrophobicContact CB-CE2 4.31Å; L329-Y333 WeakPolarHBondContact O-CD2 3.22Å; L329-Y333 VanDerWaalsContact O-CG 3.27Å; L329-Y333 PolarHBondContact O-N 2.9Å; A330-Y333 PolarHBondContact O-N 3.48Å; Y333-H335 VanDerWaalsContact C-N 3.31Å; Y333-H335 PolarHBondContact O-N 2.76Å; Y333-L336 PolarHBondContact O-N 3.43Å; Y333-G337 PolarHBondContact O-N 3.32Å; Y333-L343 HydrophobicContact CE1-CD1 4.27Å; Y333-K348 HydrophobicContact CE1-CD 4.35Å; Y333-F395 HydrophobicContact CE1-CE1 4.43Å; Y333-F395 VanDerWaalsContact OH-CD1 3.26Å; Y333-F395 WeakPolarHBondContact OH-CD1 3Å; Y333-F395 WeakPolarHBondContact OH-CE1 3.37Å |
| 334 | T | 85.6 | Confident | 88.7 | Confident | 88 Ų | 88 | 69.6 Ų | 69.6 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | A330 G331 N338 | A330-T334 WeakPolarHBondContact O-CB 3.37Å; A330-T334 PolarHBondContact O-N 3.05Å; A330-T334 PolarHBondContact O-OG1 3.26Å; G331-T334 PolarHBondContact O-N 2.61Å; T334-N338 WeakPolarHBondContact O-CB 3.2Å; T334-N338 PolarHBondContact O-N 3.29Å; T334-N338 PolarHBondContact O-ND2 3.3Å |
| 335 | H | 88.6 | Confident | 88.5 | Confident | 105 Ų | 105 | 67.8 Ų | 67.8 | 49% | 0.486 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.9 | -176.6 | 81.4 | 0 | 0 | 0 | 112.8 | G331 I332 Y333 K339 | G331-H335 WeakPolarHBondContact O-CB 2.96Å; G331-H335 PolarHBondContact O-N 3.39Å; I332-H335 PolarHBondContact O-N 3.06Å; Y333-H335 VanDerWaalsContact C-N 3.31Å; Y333-H335 PolarHBondContact O-N 2.76Å; H335-K339 PolarHBondContact CE1-NZ 3.5Å; H335-K339 VanDerWaalsContact NE2-CE 3.27Å; H335-K339 WeakPolarHBondContact NE2-CE 3.25Å; H335-K339 PolarHBondContact NE2-NZ 2.86Å; H335-K339 PolarHBondContact O-N 3.37Å |
| 336 | L | 88.5 | Confident | 88.4 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.225 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.8 | -40.9 | 177.8 | -70.7 | 176.6 | 0 | 0 | 0 | 112.1 | I332 Y333 K339 G340 K341 L343 | I332-L336 HydrophobicContact CG2-CD1 3.86Å; I332-L336 HydrophobicContact CG2-CG 4.36Å; I332-L336 WeakPolarHBondContact O-CB 3.32Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.35Å; I332-L336 PolarHBondContact O-N 3.38Å; Y333-L336 PolarHBondContact O-N 3.43Å; L336-K339 CarbonylContact O-C 3.48Å; L336-K339 WeakPolarHBondContact O-CA 3.46Å; L336-K339 WeakPolarHBondContact O-CB 3.23Å; L336-K339 PolarHBondContact O-N 3.38Å; L336-K339 VanDerWaalsContact O-N 3.07Å; L336-G340 PolarHBondContact O-N 3.49Å; L336-K341 HydrophobicContact CD2-CB 4.39Å; L336-K341 PolarHBondContact O-N 3.25Å; L336-L343 HydrophobicContact CD1-CD1 4.15Å; L336-L343 HydrophobicContact CD1-CG 4.05Å |
| 337 | G | 84.4 | Confident | 88.6 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 24% | 0.237 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y333 K339 G340 D342 | Y333-G337 PolarHBondContact O-N 3.32Å; G337-K339 PolarHBondContact O-N 2.8Å; G337-K339 VanDerWaalsContact O-N 3.1Å; G337-G340 PolarHBondContact O-N 2.88Å; G337-D342 WeakPolarHBondContact CA-OD1 3.37Å; G337-D342 PolarHBondContact N-OD1 3.44Å |
| 338 | N | 84.7 | Confident | 88.7 | Confident | 138 Ų | 138 | 65.8 Ų | 65.8 | 74% | 0.738 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.3 | -21.2 | 172.9 | -71.7 | -16.8 | 0 | 0 | 0 | 113.2 | T334 | T334-N338 WeakPolarHBondContact O-CB 3.2Å; T334-N338 PolarHBondContact O-N 3.29Å; T334-N338 PolarHBondContact O-ND2 3.3Å |
| 339 | K | 88.4 | Confident | 88.8 | Confident | 130 Ų | 130 | 60.9 Ų | 60.9 | 57% | 0.565 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3.9 | 174.9 | -71.2 | 179.5 | 170.6 | 177.5 | 0 | 113.4 | H335 L336 G337 K341 | H335-K339 PolarHBondContact CE1-NZ 3.5Å; H335-K339 VanDerWaalsContact NE2-CE 3.27Å; H335-K339 WeakPolarHBondContact NE2-CE 3.25Å; H335-K339 PolarHBondContact NE2-NZ 2.86Å; H335-K339 PolarHBondContact O-N 3.37Å; L336-K339 CarbonylContact O-C 3.48Å; L336-K339 WeakPolarHBondContact O-CA 3.46Å; L336-K339 WeakPolarHBondContact O-CB 3.23Å; L336-K339 PolarHBondContact O-N 3.38Å; L336-K339 VanDerWaalsContact O-N 3.07Å; G337-K339 PolarHBondContact O-N 2.8Å; G337-K339 VanDerWaalsContact O-N 3.1Å; K339-K341 HydrophobicContact CB-CG 4.48Å; K339-K341 PolarHBondContact O-N 3.43Å |
| 340 | G | 85 | Confident | 89.1 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 19.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L336 G337 | L336-G340 PolarHBondContact O-N 3.49Å; G337-G340 PolarHBondContact O-N 2.88Å |
| 341 | K | 86.9 | Confident | 89.5 | Confident | 149 Ų | 149 | 60.5 Ų | 60.5 | 65% | 0.648 | 34% | 0.335 | S | S | * | . | trans | -109.4 | 38.4 | -177.8 | -67.8 | -173.7 | 178.5 | -175 | 0 | 111.8 | L336 K339 L343 | L336-K341 HydrophobicContact CD2-CB 4.39Å; L336-K341 PolarHBondContact O-N 3.25Å; K339-K341 HydrophobicContact CB-CG 4.48Å; K339-K341 PolarHBondContact O-N 3.43Å; K341-L343 PolarHBondContact O-N 2.91Å | ||
| 342 | D | 84.7 | Confident | 89.9 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 131.1 | 179.5 | -79.7 | -45.9 | 0 | 0 | 0 | 111.9 | G337 S344 | G337-D342 WeakPolarHBondContact CA-OD1 3.37Å; G337-D342 PolarHBondContact N-OD1 3.44Å; D342-S344 PolarHBondContact O-N 3.32Å |
| 343 | L | 88.3 | Confident | 90.2 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 119 | 172.6 | -64.3 | 177.3 | 0 | 0 | 0 | 108.8 | Y333 L336 K341 M347 K348 L351 | Y333-L343 HydrophobicContact CE1-CD1 4.27Å; L336-L343 HydrophobicContact CD1-CD1 4.15Å; L336-L343 HydrophobicContact CD1-CG 4.05Å; K341-L343 PolarHBondContact O-N 2.91Å; L343-M347 HydrophobicContact CD2-CG 4.12Å; L343-K348 HydrophobicContact CB-CG 3.86Å; L343-K348 WeakPolarHBondContact O-CE 3.33Å; L343-L351 HydrophobicContact CD1-CD1 4.1Å |
| 344 | S | 90.1 | Very high | 90.8 | Very high | 25 Ų | 25 | 57.1 Ų | 57.1 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 150.5 | 174.5 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | D342 M347 K348 K480 | D342-S344 PolarHBondContact O-N 3.32Å; S344-M347 WeakPolarHBondContact O-CA 3.41Å; S344-M347 WeakPolarHBondContact O-CB 3.4Å; S344-M347 PolarHBondContact O-N 3.32Å; S344-M347 WeakPolarHBondContact OG-CB 3.28Å; S344-K348 PolarHBondContact O-N 3.49Å; S344-K480 WeakPolarHBondContact OG-CD 3.37Å |
| 345 | M | 89.3 | Confident | 91.4 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 20% | 0.197 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -50.1 | -46.7 | 178.5 | -69.9 | -58.9 | -137.6 | 0 | 0 | 113.9 | L274 M347 K348 F349 L399 A402 M403 | L274-M345 HydrophobicContact CD1-CB 4.42Å; M345-M347 VanDerWaalsContact C-N 3.28Å; M345-M347 PolarHBondContact O-N 2.97Å; M345-K348 PolarHBondContact O-N 3.43Å; M345-K348 VanDerWaalsContact O-N 3.14Å; M345-K348 HydrophobicContact SD-CD 4.34Å; M345-F349 WeakPolarHBondContact O-CD2 3.29Å; M345-F349 PolarHBondContact O-N 3.24Å; M345-L399 HydrophobicContact CE-CB 4.33Å; M345-L399 HydrophobicContact SD-CD1 4.31Å; M345-A402 HydrophobicContact CE-CB 3.94Å; M345-M403 HydrophobicContact CE-CB 4.29Å |
| 346 | P | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -35.2 | 176.2 | -25.5 | 35.8 | 0 | 0 | 0 | 114.2 | V270 L274 T350 V476 L479 I483 | V270-P346 HydrophobicContact CG1-CG 4.46Å; L274-P346 HydrophobicContact CD2-CB 4.36Å; L274-P346 HydrophobicContact CD2-CG 4.49Å; P346-T350 WeakPolarHBondContact O-CB 3.42Å; P346-T350 PolarHBondContact O-N 3.3Å; P346-T350 PolarHBondContact O-OG1 3.49Å; P346-V476 HydrophobicContact CB-CG2 4.17Å; P346-L479 HydrophobicContact CB-CB 4.16Å; P346-L479 HydrophobicContact CB-CD1 3.93Å; P346-L479 HydrophobicContact CG-CB 3.81Å; P346-L479 HydrophobicContact CG-CD1 4.25Å; P346-I483 HydrophobicContact CG-CD1 4.23Å |
| 347 | M | 94.9 | Very high | 92.3 | Very high | 50 Ų | 50 | 47.8 Ų | 47.8 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 176.6 | -178.2 | 57.6 | 78.8 | 0 | 0 | 111.4 | L343 S344 M345 T350 L351 L473 V476 | L343-M347 HydrophobicContact CD2-CG 4.12Å; S344-M347 WeakPolarHBondContact O-CA 3.41Å; S344-M347 WeakPolarHBondContact O-CB 3.4Å; S344-M347 PolarHBondContact O-N 3.32Å; S344-M347 WeakPolarHBondContact OG-CB 3.28Å; M345-M347 VanDerWaalsContact C-N 3.28Å; M345-M347 PolarHBondContact O-N 2.97Å; M347-T350 PolarHBondContact O-N 2.98Å; M347-L351 HydrophobicContact CG-CD1 4.41Å; M347-L351 WeakPolarHBondContact O-CG 3.33Å; M347-L351 PolarHBondContact O-N 2.91Å; M347-L351 HydrophobicContact SD-CG 4.4Å; M347-L473 HydrophobicContact CE-CD1 3.98Å; M347-L473 HydrophobicContact SD-CD1 4.26Å; M347-V476 HydrophobicContact CB-CG1 4.3Å; M347-V476 HydrophobicContact CE-CG1 4.02Å; M347-V476 HydrophobicContact CE-CG2 4.4Å |
| 348 | K | 93.2 | Very high | 93 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 175.3 | -66.9 | -176.5 | 179.6 | 174.2 | 0 | 110.4 | Y333 L343 S344 M345 T350 L351 G352 F395 L399 | Y333-K348 HydrophobicContact CE1-CD 4.35Å; L343-K348 HydrophobicContact CB-CG 3.86Å; L343-K348 WeakPolarHBondContact O-CE 3.33Å; S344-K348 PolarHBondContact O-N 3.49Å; M345-K348 PolarHBondContact O-N 3.43Å; M345-K348 VanDerWaalsContact O-N 3.14Å; M345-K348 HydrophobicContact SD-CD 4.34Å; K348-T350 PolarHBondContact O-N 3.44Å; K348-L351 PolarHBondContact O-N 3.35Å; K348-G352 PolarHBondContact O-N 3.15Å; K348-F395 HydrophobicContact CB-CD1 4.26Å; K348-F395 WeakPolarHBondContact O-CB 3.29Å; K348-L399 HydrophobicContact CB-CD1 4.17Å; K348-L399 HydrophobicContact CD-CD1 3.44Å; K348-L399 VanDerWaalsContact CD-CD1 3.44Å; K348-L399 HydrophobicContact CG-CD1 4.43Å |
| 349 | F | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 177.6 | -86.3 | -127.5 | 0 | 0 | 0 | 112.1 | L274 E277 M345 L351 G352 M353 F395 I396 L399 | L274-F349 HydrophobicContact CB-CD1 3.98Å; L274-F349 HydrophobicContact CB-CE1 3.83Å; L274-F349 HydrophobicContact CB-CZ 4.48Å; L274-F349 HydrophobicContact CD2-CB 4.07Å; L274-F349 HydrophobicContact CD2-CD1 3.84Å; L274-F349 HydrophobicContact CD2-CE1 4.49Å; L274-F349 HydrophobicContact CD2-CG 3.94Å; L274-F349 HydrophobicContact CG-CD1 4.41Å; L274-F349 WeakPolarHBondContact O-CE1 3.33Å; E277-F349 HydrophobicContact CB-CD1 4.49Å; E277-F349 HydrophobicContact CG-CD1 4.39Å; E277-F349 VanDerWaalsContact OE1-O 3.13Å; E277-F349 VanDerWaalsContact OE2-CB 3.31Å; E277-F349 WeakPolarHBondContact OE2-CB 3.39Å; M345-F349 WeakPolarHBondContact O-CD2 3.29Å; M345-F349 PolarHBondContact O-N 3.24Å; F349-L351 PolarHBondContact O-N 2.88Å; F349-G352 CarbonylContact O-C 3.58Å; F349-G352 WeakPolarHBondContact O-CA 3.21Å; F349-G352 PolarHBondContact O-N 3.38Å; F349-M353 PolarHBondContact O-N 2.97Å; F349-F395 WeakPolarHBondContact CD2-O 3.41Å; F349-I396 HydrophobicContact CB-CG1 4.3Å; F349-I396 HydrophobicContact CD1-CG1 4.16Å; F349-I396 HydrophobicContact CD1-CG2 4.06Å; F349-I396 HydrophobicContact CD2-CG1 4.46Å; F349-I396 HydrophobicContact CE1-CG2 3.79Å; F349-I396 HydrophobicContact CG-CG1 4.06Å; F349-I396 HydrophobicContact CZ-CG2 4.19Å; F349-L399 HydrophobicContact CE2-CB 4.21Å |
| 350 | T | 96.7 | Very high | 94.1 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | E277 P346 M347 K348 G352 M353 F354 M472 L473 V476 | E277-T350 PolarHBondContact OE1-N 2.93Å; P346-T350 WeakPolarHBondContact O-CB 3.42Å; P346-T350 PolarHBondContact O-N 3.3Å; P346-T350 PolarHBondContact O-OG1 3.49Å; M347-T350 PolarHBondContact O-N 2.98Å; K348-T350 PolarHBondContact O-N 3.44Å; T350-G352 VanDerWaalsContact C-N 3.29Å; T350-G352 PolarHBondContact O-N 3.28Å; T350-M353 PolarHBondContact O-N 2.93Å; T350-F354 PolarHBondContact O-N 3.48Å; T350-M472 HydrophobicContact CG2-CB 4.39Å; T350-L473 HydrophobicContact CG2-CB 3.73Å; T350-L473 HydrophobicContact CG2-CD1 4.04Å; T350-L473 HydrophobicContact CG2-CG 4.47Å; T350-V476 WeakPolarHBondContact OG1-CG2 3.36Å |
| 351 | L | 96.7 | Very high | 94.8 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 28% | 0.277 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 174.9 | -70.8 | 173 | 0 | 0 | 0 | 110.9 | L343 M347 K348 F349 F354 M355 F395 | L343-L351 HydrophobicContact CD1-CD1 4.1Å; M347-L351 HydrophobicContact CG-CD1 4.41Å; M347-L351 WeakPolarHBondContact O-CG 3.33Å; M347-L351 PolarHBondContact O-N 2.91Å; M347-L351 HydrophobicContact SD-CG 4.4Å; K348-L351 PolarHBondContact O-N 3.35Å; F349-L351 PolarHBondContact O-N 2.88Å; L351-F354 PolarHBondContact O-N 3.02Å; L351-M355 VanDerWaalsContact O-CG 3.27Å; L351-M355 WeakPolarHBondContact O-CG 3.34Å; L351-M355 PolarHBondContact O-N 3.23Å; L351-F395 HydrophobicContact CB-CD2 4.43Å; L351-F395 HydrophobicContact CB-CE2 4.47Å |
| 352 | G | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | K348 F349 T350 F354 M355 C356 | K348-G352 PolarHBondContact O-N 3.15Å; F349-G352 CarbonylContact O-C 3.58Å; F349-G352 WeakPolarHBondContact O-CA 3.21Å; F349-G352 PolarHBondContact O-N 3.38Å; T350-G352 VanDerWaalsContact C-N 3.29Å; T350-G352 PolarHBondContact O-N 3.28Å; G352-F354 VanDerWaalsContact C-N 3.32Å; G352-F354 PolarHBondContact O-N 3.33Å; G352-M355 PolarHBondContact O-N 3.08Å; G352-C356 PolarHBondContact O-N 3.2Å; G352-C356 PolarHBondContact O-SG 3.35Å; G352-C356 VanDerWaalsContact O-SG 3.32Å |
| 353 | M | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 174.8 | -78.3 | -67.5 | 117.2 | 0 | 0 | 112.2 | E277 V280 F281 F349 T350 M355 C356 S357 I396 T465 V468 A469 | E277-M353 HydrophobicContact CG-CE 3.94Å; E277-M353 HydrophobicContact CG-CG 3.55Å; E277-M353 HydrophobicContact CG-SD 4Å; E277-M353 WeakPolarHBondContact O-CE 3.36Å; E277-M353 WeakPolarHBondContact OE1-CG 3.36Å; V280-M353 HydrophobicContact CB-CE 4.4Å; V280-M353 HydrophobicContact CB-SD 4.19Å; V280-M353 HydrophobicContact CG1-CE 4.5Å; V280-M353 HydrophobicContact CG1-SD 3.92Å; F281-M353 HydrophobicContact CB-CE 3.47Å; F281-M353 VanDerWaalsContact CB-CE 3.47Å; F281-M353 HydrophobicContact CD2-CE 4.49Å; F281-M353 HydrophobicContact CG-CE 4.47Å; F349-M353 PolarHBondContact O-N 2.97Å; T350-M353 PolarHBondContact O-N 2.93Å; M353-M355 PolarHBondContact O-N 2.91Å; M353-C356 PolarHBondContact O-N 3.21Å; M353-S357 PolarHBondContact O-N 3.3Å; M353-I396 HydrophobicContact CE-CD1 3.32Å; M353-I396 HydrophobicContact CG-CD1 4.32Å; M353-T465 WeakPolarHBondContact O-CG2 3.44Å; M353-T465 HydrophobicContact SD-CG2 4.32Å; M353-V468 HydrophobicContact CG-CG1 4.37Å; M353-V468 HydrophobicContact SD-CG1 4.06Å; M353-A469 HydrophobicContact CB-CB 3.85Å |
| 354 | F | 98.4 | Very high | 96.5 | Very high | 93 Ų | 93 | 22.2 Ų | 22.2 | 41% | 0.408 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.4 | -178.5 | -99 | 0 | 0 | 0 | 111.9 | T350 L351 G352 S357 L358 L466 A469 | T350-F354 PolarHBondContact O-N 3.48Å; L351-F354 PolarHBondContact O-N 3.02Å; G352-F354 VanDerWaalsContact C-N 3.32Å; G352-F354 PolarHBondContact O-N 3.33Å; F354-S357 WeakPolarHBondContact O-CB 3.39Å; F354-S357 PolarHBondContact O-N 2.94Å; F354-L358 PolarHBondContact O-N 3.15Å; F354-L466 HydrophobicContact CD2-CD1 4.01Å; F354-L466 HydrophobicContact CE2-CD1 4.05Å; F354-A469 HydrophobicContact CB-CB 4.25Å |
| 355 | M | 98.2 | Very high | 96.8 | Very high | 38 Ų | 38 | 21.8 Ų | 21.8 | 19% | 0.187 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.4 | -64.4 | -60.7 | 151 | 0 | 0 | 111.1 | L351 G352 M353 S357 L358 G359 F388 L391 F395 | L351-M355 VanDerWaalsContact O-CG 3.27Å; L351-M355 WeakPolarHBondContact O-CG 3.34Å; L351-M355 PolarHBondContact O-N 3.23Å; G352-M355 PolarHBondContact O-N 3.08Å; M353-M355 PolarHBondContact O-N 2.91Å; M355-S357 VanDerWaalsContact C-N 3.32Å; M355-S357 PolarHBondContact O-N 3.38Å; M355-L358 PolarHBondContact O-N 3.39Å; M355-L358 VanDerWaalsContact O-N 3.15Å; M355-G359 PolarHBondContact O-N 2.95Å; M355-F388 WeakPolarHBondContact CB-O 3.23Å; M355-F388 WeakPolarHBondContact O-CB 3.45Å; M355-F388 HydrophobicContact SD-CD1 4.11Å; M355-L391 HydrophobicContact CB-CB 4.27Å; M355-L391 HydrophobicContact CG-CB 4.05Å; M355-L391 HydrophobicContact SD-CD1 4.26Å; M355-F395 HydrophobicContact CG-CD2 4.4Å; M355-F395 HydrophobicContact CG-CE2 4.26Å |
| 356 | C | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.7 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | L284 G352 M353 G359 F360 T465 | L284-C356 HydrophobicContact CD1-CB 3.58Å; G352-C356 PolarHBondContact O-N 3.2Å; G352-C356 PolarHBondContact O-SG 3.35Å; G352-C356 VanDerWaalsContact O-SG 3.32Å; M353-C356 PolarHBondContact O-N 3.21Å; C356-G359 PolarHBondContact O-N 3.38Å; C356-F360 WeakPolarHBondContact O-CD2 3.47Å; C356-F360 PolarHBondContact O-N 3.3Å; C356-T465 HydrophobicContact CB-CG2 4.2Å |
| 357 | S | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 173.8 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | M353 F354 M355 G359 F360 L361 G462 L466 | M353-S357 PolarHBondContact O-N 3.3Å; F354-S357 WeakPolarHBondContact O-CB 3.39Å; F354-S357 PolarHBondContact O-N 2.94Å; M355-S357 VanDerWaalsContact C-N 3.32Å; M355-S357 PolarHBondContact O-N 3.38Å; S357-G359 VanDerWaalsContact C-N 3.25Å; S357-G359 PolarHBondContact O-N 2.88Å; S357-F360 PolarHBondContact O-N 2.96Å; S357-L361 WeakPolarHBondContact O-CB 3.01Å; S357-L361 WeakPolarHBondContact O-CG 3.07Å; S357-L361 PolarHBondContact O-N 3.13Å; S357-G462 PolarHBondContact OG-O 3.49Å; S357-L466 WeakPolarHBondContact OG-CB 3.33Å; S357-L466 PolarHBondContact OG-N 3.14Å |
| 358 | L | 98.5 | Very high | 97.3 | Very high | 57 Ų | 57 | 22.4 Ų | 22.4 | 30% | 0.298 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -60.5 | -36.6 | 178 | -171.4 | 56.4 | 0 | 0 | 0 | 111.9 | F354 M355 T362 F388 | F354-L358 PolarHBondContact O-N 3.15Å; M355-L358 PolarHBondContact O-N 3.39Å; M355-L358 VanDerWaalsContact O-N 3.15Å; L358-T362 VanDerWaalsContact O-CB 3.25Å; L358-T362 WeakPolarHBondContact O-CB 3.47Å; L358-T362 PolarHBondContact O-N 2.88Å; L358-T362 PolarHBondContact O-OG1 3.32Å; L358-F388 HydrophobicContact CB-CD1 4.45Å; L358-F388 HydrophobicContact CB-CD2 4.33Å; L358-F388 HydrophobicContact CB-CG 4.26Å; L358-F388 HydrophobicContact CD2-CD1 3.73Å; L358-F388 HydrophobicContact CD2-CD2 4.27Å; L358-F388 HydrophobicContact CD2-CE1 3.31Å; L358-F388 HydrophobicContact CD2-CE2 3.89Å; L358-F388 HydrophobicContact CD2-CG 4.21Å; L358-F388 HydrophobicContact CD2-CZ 3.4Å; L358-F388 HydrophobicContact CG-CD1 4.12Å; L358-F388 HydrophobicContact CG-CD2 3.84Å; L358-F388 HydrophobicContact CG-CE1 3.97Å; L358-F388 HydrophobicContact CG-CE2 3.66Å; L358-F388 HydrophobicContact CG-CG 4.08Å; L358-F388 HydrophobicContact CG-CZ 3.74Å |
| 359 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.2 | -54.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | M355 C356 S357 T362 A363 V385 | M355-G359 PolarHBondContact O-N 2.95Å; C356-G359 PolarHBondContact O-N 3.38Å; S357-G359 VanDerWaalsContact C-N 3.25Å; S357-G359 PolarHBondContact O-N 2.88Å; G359-T362 WeakPolarHBondContact O-CB 3.4Å; G359-T362 PolarHBondContact O-N 2.88Å; G359-A363 PolarHBondContact O-N 3.05Å; G359-V385 WeakPolarHBondContact O-CG2 3.37Å |
| 360 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.5 | -34.6 | -179 | -80.6 | -84.4 | 0 | 0 | 0 | 113.7 | L284 Q287 L292 C356 S357 T362 A363 A364 F458 I461 | L284-F360 HydrophobicContact CB-CE2 3.84Å; L284-F360 HydrophobicContact CB-CZ 4.45Å; L284-F360 HydrophobicContact CD2-CD2 4.12Å; L284-F360 HydrophobicContact CD2-CE2 3.76Å; L284-F360 HydrophobicContact CD2-CZ 4.25Å; L284-F360 HydrophobicContact CG-CE2 4.26Å; Q287-F360 HydrophobicContact CB-CE1 4.15Å; Q287-F360 HydrophobicContact CB-CZ 3.74Å; Q287-F360 HydrophobicContact CG-CE1 4.03Å; Q287-F360 HydrophobicContact CG-CZ 3.63Å; L292-F360 HydrophobicContact CD1-CE1 4.11Å; L292-F360 HydrophobicContact CD1-CZ 3.95Å; L292-F360 HydrophobicContact CG-CE1 4.37Å; C356-F360 WeakPolarHBondContact O-CD2 3.47Å; C356-F360 PolarHBondContact O-N 3.3Å; S357-F360 PolarHBondContact O-N 2.96Å; F360-T362 VanDerWaalsContact C-N 3.29Å; F360-T362 PolarHBondContact O-N 3.14Å; F360-A363 PolarHBondContact O-N 3.44Å; F360-A364 PolarHBondContact O-N 3.33Å; F360-F458 HydrophobicContact CD1-CB 4.19Å; F360-F458 AromaticContact CD1-CD1 3.82Å; F360-F458 HydrophobicContact CD1-CD1 3.82Å; F360-F458 HydrophobicContact CD1-CG 4.19Å; F360-F458 AromaticContact CE1-CD1 3.94Å; F360-F458 HydrophobicContact CE1-CD1 3.94Å; F360-F458 HydrophobicContact CE1-CE1 4.31Å; F360-I461 HydrophobicContact CB-CB 4.4Å; F360-I461 HydrophobicContact CB-CG2 4.01Å; F360-I461 HydrophobicContact CD1-CB 3.98Å; F360-I461 HydrophobicContact CD1-CD1 4.18Å; F360-I461 HydrophobicContact CD1-CG2 3.59Å; F360-I461 HydrophobicContact CD2-CG2 3.7Å; F360-I461 HydrophobicContact CE1-CB 4.49Å; F360-I461 HydrophobicContact CE1-CD1 3.96Å; F360-I461 HydrophobicContact CE1-CG2 3.92Å; F360-I461 HydrophobicContact CE2-CG2 4.05Å; F360-I461 HydrophobicContact CG-CB 4.15Å; F360-I461 HydrophobicContact CG-CG2 3.46Å; F360-I461 VanDerWaalsContact CG-CG2 3.46Å; F360-I461 HydrophobicContact CZ-CG2 4.13Å |
| 361 | L | 98.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 37.2 Ų | 37.2 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 172.1 | -68.7 | 176.1 | 0 | 0 | 0 | 111.6 | S357 A364 A365 L463 | S357-L361 WeakPolarHBondContact O-CB 3.01Å; S357-L361 WeakPolarHBondContact O-CG 3.07Å; S357-L361 PolarHBondContact O-N 3.13Å; L361-A364 PolarHBondContact O-N 3.08Å; L361-A365 VanDerWaalsContact O-CB 3.22Å; L361-A365 WeakPolarHBondContact O-CB 3.35Å; L361-A365 PolarHBondContact O-N 3.35Å; L361-L463 HydrophobicContact CD2-CD2 4.23Å; L361-L463 HydrophobicContact CD2-CG 4.24Å |
| 362 | T | 98.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 172.9 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | L358 G359 F360 A364 A365 A366 F381 L384 V385 | L358-T362 VanDerWaalsContact O-CB 3.25Å; L358-T362 WeakPolarHBondContact O-CB 3.47Å; L358-T362 PolarHBondContact O-N 2.88Å; L358-T362 PolarHBondContact O-OG1 3.32Å; G359-T362 WeakPolarHBondContact O-CB 3.4Å; G359-T362 PolarHBondContact O-N 2.88Å; F360-T362 VanDerWaalsContact C-N 3.29Å; F360-T362 PolarHBondContact O-N 3.14Å; T362-A364 VanDerWaalsContact C-N 3.34Å; T362-A364 PolarHBondContact O-N 3.49Å; T362-A365 PolarHBondContact O-N 3.11Å; T362-A366 WeakPolarHBondContact O-CB 3.06Å; T362-A366 PolarHBondContact O-N 2.9Å; T362-F381 HydrophobicContact CG2-CD1 3.81Å; T362-L384 HydrophobicContact CG2-CB 3.97Å; T362-L384 HydrophobicContact CG2-CD1 4.46Å; T362-V385 HydrophobicContact CG2-CG2 4.14Å |
| 363 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L292 G359 F360 A366 V385 F458 | L292-A363 HydrophobicContact CD2-CB 4.35Å; G359-A363 PolarHBondContact O-N 3.05Å; F360-A363 PolarHBondContact O-N 3.44Å; A363-A366 WeakPolarHBondContact O-CB 3.43Å; A363-V385 HydrophobicContact CB-CG2 3.79Å; A363-F458 HydrophobicContact CB-CB 4.23Å; A363-F458 HydrophobicContact CB-CD2 3.62Å; A363-F458 HydrophobicContact CB-CE2 4.27Å; A363-F458 HydrophobicContact CB-CG 4.13Å |
| 364 | A | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.5 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F360 L361 T362 A366 G367 M368 F458 | F360-A364 PolarHBondContact O-N 3.33Å; L361-A364 PolarHBondContact O-N 3.08Å; T362-A364 VanDerWaalsContact C-N 3.34Å; T362-A364 PolarHBondContact O-N 3.49Å; A364-A366 VanDerWaalsContact C-N 3.29Å; A364-A366 PolarHBondContact O-N 3.25Å; A364-G367 PolarHBondContact O-N 3.01Å; A364-M368 HydrophobicContact CB-CE 4.33Å; A364-M368 WeakPolarHBondContact O-CB 3.34Å; A364-M368 VanDerWaalsContact O-CG 3.3Å; A364-M368 WeakPolarHBondContact O-CG 3.37Å; A364-M368 PolarHBondContact O-N 2.86Å; A364-F458 HydrophobicContact CB-CB 4.22Å |
| 365 | A | 98.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 13% | 0.132 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L361 T362 G367 M368 W369 F370 | L361-A365 VanDerWaalsContact O-CB 3.22Å; L361-A365 WeakPolarHBondContact O-CB 3.35Å; L361-A365 PolarHBondContact O-N 3.35Å; T362-A365 PolarHBondContact O-N 3.11Å; A365-G367 VanDerWaalsContact C-N 3.27Å; A365-G367 PolarHBondContact O-N 3.28Å; A365-M368 PolarHBondContact O-N 3.22Å; A365-W369 HydrophobicContact CB-CE3 3.55Å; A365-W369 HydrophobicContact CB-CZ3 3.57Å; A365-W369 PolarHBondContact O-N 3.1Å; A365-F370 WeakPolarHBondContact O-CD2 3.31Å |
| 366 | A | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -50.9 | -48.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T362 A363 A364 F370 A371 T377 F381 | T362-A366 WeakPolarHBondContact O-CB 3.06Å; T362-A366 PolarHBondContact O-N 2.9Å; A363-A366 WeakPolarHBondContact O-CB 3.43Å; A364-A366 VanDerWaalsContact C-N 3.29Å; A364-A366 PolarHBondContact O-N 3.25Å; A366-F370 CarbonylContact O-C 3.08Å; A366-F370 WeakPolarHBondContact O-CA 3.44Å; A366-F370 WeakPolarHBondContact O-CB 3.49Å; A366-F370 PolarHBondContact O-N 3.41Å; A366-F370 VanDerWaalsContact O-N 3.14Å; A366-A371 PolarHBondContact O-N 2.97Å; A366-T377 HydrophobicContact CB-CG2 4.08Å; A366-T377 WeakPolarHBondContact O-CG2 3.42Å; A366-F381 HydrophobicContact CB-CB 3.53Å; A366-F381 HydrophobicContact CB-CD1 3.54Å; A366-F381 HydrophobicContact CB-CD2 3.8Å; A366-F381 HydrophobicContact CB-CE1 4.19Å; A366-F381 HydrophobicContact CB-CE2 4.41Å; A366-F381 HydrophobicContact CB-CG 3.33Å |
| 367 | G | 95.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -85.7 | -32.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A364 A365 | A364-G367 PolarHBondContact O-N 3.01Å; A365-G367 VanDerWaalsContact C-N 3.27Å; A365-G367 PolarHBondContact O-N 3.28Å |
| 368 | M | 95.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 45.5 Ų | 45.5 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.8 | -31.7 | -179.1 | -70.6 | 179.9 | -175.9 | 0 | 0 | 113.4 | A364 A365 T455 | A364-M368 HydrophobicContact CB-CE 4.33Å; A364-M368 WeakPolarHBondContact O-CB 3.34Å; A364-M368 VanDerWaalsContact O-CG 3.3Å; A364-M368 WeakPolarHBondContact O-CG 3.37Å; A364-M368 PolarHBondContact O-N 2.86Å; A365-M368 PolarHBondContact O-N 3.22Å; M368-T455 WeakPolarHBondContact CE-O 3.34Å |
| 369 | W | 95.8 | Very high | 97.2 | Very high | 194 Ų | 194 | 43.1 Ų | 43.1 | 74% | 0.735 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -128.8 | -16.7 | -170.9 | -57.6 | -45.2 | 0 | 0 | 0 | 114.9 | A365 | A365-W369 HydrophobicContact CB-CE3 3.55Å; A365-W369 HydrophobicContact CB-CZ3 3.57Å; A365-W369 PolarHBondContact O-N 3.1Å |
| 370 | F | 97 | Very high | 97.2 | Very high | 123 Ų | 123 | 49.3 Ų | 49.3 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -127.8 | 7.2 | -171.7 | -60.8 | -82.1 | 0 | 0 | 0 | 114.3 | A365 A366 F381 | A365-F370 WeakPolarHBondContact O-CD2 3.31Å; A366-F370 CarbonylContact O-C 3.08Å; A366-F370 WeakPolarHBondContact O-CA 3.44Å; A366-F370 WeakPolarHBondContact O-CB 3.49Å; A366-F370 PolarHBondContact O-N 3.41Å; A366-F370 VanDerWaalsContact O-N 3.14Å; F370-F381 HydrophobicContact CB-CE2 3.55Å; F370-F381 HydrophobicContact CB-CZ 3.59Å; F370-F381 HydrophobicContact CD1-CZ 4.07Å; F370-F381 AromaticContact CD2-CE1 3.9Å; F370-F381 HydrophobicContact CD2-CE1 3.9Å; F370-F381 HydrophobicContact CD2-CE2 4.25Å; F370-F381 AromaticContact CD2-CZ 3.38Å; F370-F381 HydrophobicContact CD2-CZ 3.38Å; F370-F381 HydrophobicContact CE2-CE1 4.34Å; F370-F381 HydrophobicContact CE2-CZ 4.01Å; F370-F381 HydrophobicContact CG-CE1 4.37Å; F370-F381 AromaticContact CG-CE2 3.9Å; F370-F381 HydrophobicContact CG-CE2 3.9Å; F370-F381 AromaticContact CG-CZ 3.41Å; F370-F381 HydrophobicContact CG-CZ 3.41Å; F370-F381 VanDerWaalsContact CG-CZ 3.41Å |
| 371 | A | 97 | Very high | 97.1 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 26% | 0.256 | 26% | 0.263 | S | S | . | . | trans | -70.5 | 144.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A366 L376 T377 L451 | A366-A371 PolarHBondContact O-N 2.97Å; A371-L376 CarbonylContact C-O 3Å; A371-L376 VanDerWaalsContact CA-O 3.31Å; A371-L376 WeakPolarHBondContact CA-O 3.42Å; A371-T377 HydrophobicContact CB-CG2 4.01Å; A371-L451 HydrophobicContact CB-CD2 3.4Å; A371-L451 VanDerWaalsContact CB-CD2 3.4Å | ||
| 372 | D | 96.7 | Very high | 97.1 | Very high | 62 Ų | 62 | 48.8 Ų | 48.8 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | trans | -79.7 | -178.4 | 173.3 | 64.6 | 24 | 0 | 0 | 0 | 112.2 | H301 Q374 G375 L376 | H301-D372 IonicContact CD2-OD2 3.99Å; H301-D372 IonicContact CE1-OD2 3.98Å; H301-D372 IonicContact NE2-OD2 3.77Å; H301-D372 PolarHBondContact NE2-OD2 3.17Å; D372-Q374 PolarHBondContact O-N 3.19Å; D372-Q374 VanDerWaalsContact O-N 3.09Å; D372-Q374 WeakPolarHBondContact OD1-CA 3.19Å; D372-Q374 WeakPolarHBondContact OD1-CB 3.43Å; D372-Q374 PolarHBondContact OD1-N 3.37Å; D372-G375 PolarHBondContact O-N 2.93Å; D372-G375 PolarHBondContact OD1-N 3.5Å; D372-L376 PolarHBondContact N-O 3.25Å; D372-L376 PolarHBondContact OD1-N 3.45Å | ||
| 373 | A | 95.4 | Very high | 97.1 | Very high | 97 Ų | 97 | 48.6 Ų | 48.6 | 80% | 0.802 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 374 | Q | 95.9 | Very high | 97.1 | Very high | 123 Ų | 123 | 52.1 Ų | 52.1 | 58% | 0.575 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1 | 175.9 | -57.5 | -175 | -56.3 | 0 | 0 | 112.3 | D372 L376 P447 | D372-Q374 PolarHBondContact O-N 3.19Å; D372-Q374 VanDerWaalsContact O-N 3.09Å; D372-Q374 WeakPolarHBondContact OD1-CA 3.19Å; D372-Q374 WeakPolarHBondContact OD1-CB 3.43Å; D372-Q374 PolarHBondContact OD1-N 3.37Å; Q374-L376 VanDerWaalsContact C-N 3.31Å; Q374-L376 HydrophobicContact CB-CD1 4.38Å; Q374-L376 HydrophobicContact CB-CG 4.27Å; Q374-P447 WeakPolarHBondContact O-CB 3.4Å |
| 375 | G | 96.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 77 | 18.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N299 D372 | N299-G375 PolarHBondContact ND2-O 3.01Å; D372-G375 PolarHBondContact O-N 2.93Å; D372-G375 PolarHBondContact OD1-N 3.5Å |
| 376 | L | 97.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | trans | -104.3 | 141.4 | 179.6 | -59.8 | 179.4 | 0 | 0 | 0 | 110.8 | N298 H301 A371 D372 Q374 P447 | N298-L376 WeakPolarHBondContact O-CD2 3.48Å; H301-L376 VanDerWaalsContact CE1-CD1 3.41Å; H301-L376 WeakPolarHBondContact CE1-CD1 3.35Å; H301-L376 WeakPolarHBondContact NE2-CB 3.41Å; A371-L376 CarbonylContact C-O 3Å; A371-L376 VanDerWaalsContact CA-O 3.31Å; A371-L376 WeakPolarHBondContact CA-O 3.42Å; D372-L376 PolarHBondContact N-O 3.25Å; D372-L376 PolarHBondContact OD1-N 3.45Å; Q374-L376 VanDerWaalsContact C-N 3.31Å; Q374-L376 HydrophobicContact CB-CD1 4.38Å; Q374-L376 HydrophobicContact CB-CG 4.27Å; L376-P447 HydrophobicContact CD2-CB 3.97Å; L376-P447 HydrophobicContact CD2-CG 4.14Å | ||
| 377 | T | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -106.5 | 156.1 | 179.2 | 65.6 | 0 | 0 | 0 | 0 | 111.1 | F295 N299 V300 H301 A366 A371 L451 | F295-T377 HydrophobicContact CZ-CG2 4.23Å; N299-T377 PolarHBondContact O-N 2.95Å; N299-T377 PolarHBondContact O-OG1 2.79Å; V300-T377 WeakPolarHBondContact CA-O 3.39Å; V300-T377 WeakPolarHBondContact CG2-OG1 3.41Å; H301-T377 PolarHBondContact N-O 3.36Å; A366-T377 HydrophobicContact CB-CG2 4.08Å; A366-T377 WeakPolarHBondContact O-CG2 3.42Å; A371-T377 HydrophobicContact CB-CG2 4.01Å; T377-L451 HydrophobicContact CG2-CD1 4.15Å |
| 378 | S | 97.1 | Very high | 97.3 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | trans | -64.5 | 136.1 | 174.5 | -177 | 0 | 0 | 0 | 0 | 111.3 | W380 F381 | S378-W380 PolarHBondContact O-N 3.37Å; S378-W380 VanDerWaalsContact O-N 3.1Å; S378-F381 PolarHBondContact O-N 2.99Å | ||
| 379 | P | 97.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -19.6 | 179.3 | 21.6 | -31.1 | 0 | 0 | 0 | 113.3 | V300 H301 E303 I304 F314 F381 I382 V383 | V300-P379 HydrophobicContact CG1-CB 3.88Å; H301-P379 WeakPolarHBondContact O-CB 3.4Å; H301-P379 WeakPolarHBondContact O-CG 3.43Å; E303-P379 WeakPolarHBondContact O-CG 3.4Å; I304-P379 HydrophobicContact CD1-CB 4.38Å; I304-P379 HydrophobicContact CG1-CB 3.88Å; I304-P379 HydrophobicContact CG1-CG 3.93Å; F314-P379 HydrophobicContact CE1-CB 3.89Å; F314-P379 HydrophobicContact CZ-CB 3.7Å; P379-F381 PolarHBondContact O-N 3.36Å; P379-I382 WeakPolarHBondContact O-CB 3.3Å; P379-I382 PolarHBondContact O-N 3.31Å; P379-V383 WeakPolarHBondContact O-CG2 3.17Å; P379-V383 PolarHBondContact O-N 3.09Å |
| 380 | W | 97.5 | Very high | 97.5 | Very high | 130 Ų | 130 | 41.1 Ų | 41.1 | 49% | 0.492 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -26.6 | 174 | -70.3 | 110.8 | 0 | 0 | 0 | 113.1 | I304 L305 S378 V383 L384 | I304-W380 HydrophobicContact CG2-CH2 4.23Å; I304-W380 HydrophobicContact CG2-CZ2 3.99Å; L305-W380 HydrophobicContact CD2-CZ2 4.07Å; L305-W380 HydrophobicContact CG-CZ2 4.23Å; S378-W380 PolarHBondContact O-N 3.37Å; S378-W380 VanDerWaalsContact O-N 3.1Å; W380-V383 HydrophobicContact CE3-CB 4.06Å; W380-V383 HydrophobicContact CE3-CG1 4.08Å; W380-V383 HydrophobicContact CE3-CG2 4.01Å; W380-V383 HydrophobicContact CZ3-CG1 4.22Å; W380-V383 HydrophobicContact CZ3-CG2 4.4Å; W380-V383 WeakPolarHBondContact O-CB 3.29Å; W380-V383 PolarHBondContact O-N 3.14Å; W380-L384 WeakPolarHBondContact O-CG 3.46Å; W380-L384 PolarHBondContact O-N 3.26Å |
| 381 | F | 98 | Very high | 97.4 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 17% | 0.171 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 170.9 | -75.6 | -79.1 | 0 | 0 | 0 | 111.4 | T362 A366 F370 S378 P379 V383 L384 V385 | T362-F381 HydrophobicContact CG2-CD1 3.81Å; A366-F381 HydrophobicContact CB-CB 3.53Å; A366-F381 HydrophobicContact CB-CD1 3.54Å; A366-F381 HydrophobicContact CB-CD2 3.8Å; A366-F381 HydrophobicContact CB-CE1 4.19Å; A366-F381 HydrophobicContact CB-CE2 4.41Å; A366-F381 HydrophobicContact CB-CG 3.33Å; F370-F381 HydrophobicContact CB-CE2 3.55Å; F370-F381 HydrophobicContact CB-CZ 3.59Å; F370-F381 HydrophobicContact CD1-CZ 4.07Å; F370-F381 AromaticContact CD2-CE1 3.9Å; F370-F381 HydrophobicContact CD2-CE1 3.9Å; F370-F381 HydrophobicContact CD2-CE2 4.25Å; F370-F381 AromaticContact CD2-CZ 3.38Å; F370-F381 HydrophobicContact CD2-CZ 3.38Å; F370-F381 HydrophobicContact CE2-CE1 4.34Å; F370-F381 HydrophobicContact CE2-CZ 4.01Å; F370-F381 HydrophobicContact CG-CE1 4.37Å; F370-F381 AromaticContact CG-CE2 3.9Å; F370-F381 HydrophobicContact CG-CE2 3.9Å; F370-F381 AromaticContact CG-CZ 3.41Å; F370-F381 HydrophobicContact CG-CZ 3.41Å; F370-F381 VanDerWaalsContact CG-CZ 3.41Å; S378-F381 PolarHBondContact O-N 2.99Å; P379-F381 PolarHBondContact O-N 3.36Å; F381-V383 VanDerWaalsContact C-N 3.31Å; F381-V383 PolarHBondContact O-N 2.87Å; F381-L384 PolarHBondContact O-N 3.45Å; F381-L384 VanDerWaalsContact O-N 3.17Å; F381-V385 WeakPolarHBondContact O-CG2 3.31Å; F381-V385 PolarHBondContact O-N 3.32Å |
| 382 | I | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | 174.2 | -68.6 | -60.8 | 0 | 0 | 0 | 111.5 | F295 A296 V300 F314 L317 P379 L384 V385 Y386 | F295-I382 HydrophobicContact CD1-CD1 3.69Å; F295-I382 HydrophobicContact CE1-CD1 3.63Å; F295-I382 HydrophobicContact CE1-CG1 4.46Å; A296-I382 HydrophobicContact CB-CD1 4.48Å; V300-I382 HydrophobicContact CB-CG1 4.4Å; V300-I382 HydrophobicContact CG1-CG1 3.99Å; V300-I382 HydrophobicContact CG2-CD1 4.06Å; V300-I382 HydrophobicContact CG2-CG1 3.6Å; F314-I382 HydrophobicContact CB-CG2 3.82Å; F314-I382 HydrophobicContact CD1-CG2 3.8Å; F314-I382 HydrophobicContact CG-CG2 3.85Å; L317-I382 HydrophobicContact CD1-CG2 4.01Å; P379-I382 WeakPolarHBondContact O-CB 3.3Å; P379-I382 PolarHBondContact O-N 3.31Å; I382-L384 VanDerWaalsContact C-N 3.29Å; I382-L384 PolarHBondContact O-N 3.27Å; I382-V385 PolarHBondContact O-N 2.62Å; I382-Y386 HydrophobicContact CG2-CD2 3.54Å; I382-Y386 HydrophobicContact CG2-CE2 3.55Å; I382-Y386 WeakPolarHBondContact O-CD2 3.46Å; I382-Y386 PolarHBondContact O-N 3.41Å |
| 383 | V | 98 | Very high | 97.4 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.9 | -45 | 173 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | I304 L317 W321 P379 W380 F381 L387 | I304-V383 HydrophobicContact CD1-CG2 4.09Å; L317-V383 HydrophobicContact CD1-CG2 4.03Å; L317-V383 HydrophobicContact CD2-CG2 4.35Å; W321-V383 HydrophobicContact CZ2-CG1 3.62Å; W321-V383 PolarHBondContact NE1-O 2.95Å; W321-V383 VanDerWaalsContact NE1-O 3.15Å; P379-V383 WeakPolarHBondContact O-CG2 3.17Å; P379-V383 PolarHBondContact O-N 3.09Å; W380-V383 HydrophobicContact CE3-CB 4.06Å; W380-V383 HydrophobicContact CE3-CG1 4.08Å; W380-V383 HydrophobicContact CE3-CG2 4.01Å; W380-V383 HydrophobicContact CZ3-CG1 4.22Å; W380-V383 HydrophobicContact CZ3-CG2 4.4Å; W380-V383 WeakPolarHBondContact O-CB 3.29Å; W380-V383 PolarHBondContact O-N 3.14Å; F381-V383 VanDerWaalsContact C-N 3.31Å; F381-V383 PolarHBondContact O-N 2.87Å; V383-L387 WeakPolarHBondContact O-CB 3.45Å; V383-L387 PolarHBondContact O-N 3.19Å |
| 384 | L | 98.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 38% | 0.382 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -69.5 | -41.6 | 176.5 | -70.4 | 174.9 | 0 | 0 | 0 | 113 | T362 W380 F381 I382 Y386 L387 F388 | T362-L384 HydrophobicContact CG2-CB 3.97Å; T362-L384 HydrophobicContact CG2-CD1 4.46Å; W380-L384 WeakPolarHBondContact O-CG 3.46Å; W380-L384 PolarHBondContact O-N 3.26Å; F381-L384 PolarHBondContact O-N 3.45Å; F381-L384 VanDerWaalsContact O-N 3.17Å; I382-L384 VanDerWaalsContact C-N 3.29Å; I382-L384 PolarHBondContact O-N 3.27Å; L384-Y386 VanDerWaalsContact C-N 3.32Å; L384-Y386 PolarHBondContact O-N 3.37Å; L384-L387 HydrophobicContact CD2-CD2 4.33Å; L384-L387 WeakPolarHBondContact O-CB 3.14Å; L384-L387 PolarHBondContact O-N 2.98Å; L384-F388 HydrophobicContact CB-CE2 4.16Å; L384-F388 WeakPolarHBondContact O-CD2 3.49Å; L384-F388 WeakPolarHBondContact O-CG 3.39Å; L384-F388 PolarHBondContact O-N 2.86Å |
| 385 | V | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55 | -50.9 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | L292 G359 T362 A363 F381 I382 F388 Q389 | L292-V385 HydrophobicContact CD1-CG1 4.37Å; L292-V385 HydrophobicContact CD2-CG1 4.18Å; G359-V385 WeakPolarHBondContact O-CG2 3.37Å; T362-V385 HydrophobicContact CG2-CG2 4.14Å; A363-V385 HydrophobicContact CB-CG2 3.79Å; F381-V385 WeakPolarHBondContact O-CG2 3.31Å; F381-V385 PolarHBondContact O-N 3.32Å; I382-V385 PolarHBondContact O-N 2.62Å; V385-F388 PolarHBondContact O-N 3.08Å; V385-Q389 WeakPolarHBondContact O-CG 3.29Å; V385-Q389 PolarHBondContact O-N 3.3Å |
| 386 | Y | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.8 | -32.8 | 179 | -79.2 | -63.9 | 0 | 0 | 0 | 113.1 | M288 F314 L317 N318 I382 L384 S390 | M288-Y386 HydrophobicContact CB-CE1 4.22Å; M288-Y386 HydrophobicContact CG-CE1 3.66Å; M288-Y386 HydrophobicContact SD-CE1 3.92Å; F314-Y386 HydrophobicContact CB-CE2 4.19Å; F314-Y386 WeakPolarHBondContact O-CD2 3.31Å; F314-Y386 WeakPolarHBondContact O-CE2 3.27Å; L317-Y386 HydrophobicContact CB-CD2 3.83Å; L317-Y386 HydrophobicContact CB-CG 3.77Å; L317-Y386 HydrophobicContact CD1-CD2 3.75Å; L317-Y386 HydrophobicContact CD1-CG 4.45Å; L317-Y386 HydrophobicContact CG-CD2 4.43Å; N318-Y386 HydrophobicContact CB-CD1 3.93Å; N318-Y386 HydrophobicContact CB-CE1 4.38Å; I382-Y386 HydrophobicContact CG2-CD2 3.54Å; I382-Y386 HydrophobicContact CG2-CE2 3.55Å; I382-Y386 WeakPolarHBondContact O-CD2 3.46Å; I382-Y386 PolarHBondContact O-N 3.41Å; L384-Y386 VanDerWaalsContact C-N 3.32Å; L384-Y386 PolarHBondContact O-N 3.37Å; Y386-S390 VanDerWaalsContact O-CB 3.26Å; Y386-S390 WeakPolarHBondContact O-CB 3.49Å; Y386-S390 PolarHBondContact O-N 2.98Å; Y386-S390 PolarHBondContact O-OG 2.98Å |
| 387 | L | 98.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 23.5 Ų | 23.5 | 21% | 0.209 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.2 | -51.9 | 172 | 170.7 | 62.7 | 0 | 0 | 0 | 110.7 | W321 V383 L384 S390 L391 | W321-L387 VanDerWaalsContact CD1-CA 3.43Å; W321-L387 VanDerWaalsContact CD1-N 3.29Å; W321-L387 HydrophobicContact CD2-CB 4.08Å; W321-L387 HydrophobicContact CD2-CD1 3.73Å; W321-L387 HydrophobicContact CD2-CG 4.49Å; W321-L387 HydrophobicContact CE3-CD1 3.64Å; W321-L387 HydrophobicContact CG-CB 4.23Å; W321-L387 HydrophobicContact CG-CD1 4.17Å; W321-L387 HydrophobicContact CZ2-CB 4.25Å; W321-L387 HydrophobicContact CZ3-CD1 4.04Å; V383-L387 WeakPolarHBondContact O-CB 3.45Å; V383-L387 PolarHBondContact O-N 3.19Å; L384-L387 HydrophobicContact CD2-CD2 4.33Å; L384-L387 WeakPolarHBondContact O-CB 3.14Å; L384-L387 PolarHBondContact O-N 2.98Å; L387-S390 PolarHBondContact O-N 2.84Å; L387-L391 HydrophobicContact CD1-CD1 4.14Å; L387-L391 HydrophobicContact CD1-CG 4.27Å; L387-L391 HydrophobicContact CG-CD1 4.31Å; L387-L391 WeakPolarHBondContact O-CG 3.49Å; L387-L391 PolarHBondContact O-N 2.7Å |
| 388 | F | 98.5 | Very high | 95.2 | Very high | 35 Ų | 35 | 25.6 Ų | 25.6 | 15% | 0.154 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | -178.4 | -65.6 | -50.5 | 0 | 0 | 0 | 112.3 | M355 L358 L384 V385 L391 G392 | M355-F388 WeakPolarHBondContact CB-O 3.23Å; M355-F388 WeakPolarHBondContact O-CB 3.45Å; M355-F388 HydrophobicContact SD-CD1 4.11Å; L358-F388 HydrophobicContact CB-CD1 4.45Å; L358-F388 HydrophobicContact CB-CD2 4.33Å; L358-F388 HydrophobicContact CB-CG 4.26Å; L358-F388 HydrophobicContact CD2-CD1 3.73Å; L358-F388 HydrophobicContact CD2-CD2 4.27Å; L358-F388 HydrophobicContact CD2-CE1 3.31Å; L358-F388 HydrophobicContact CD2-CE2 3.89Å; L358-F388 HydrophobicContact CD2-CG 4.21Å; L358-F388 HydrophobicContact CD2-CZ 3.4Å; L358-F388 HydrophobicContact CG-CD1 4.12Å; L358-F388 HydrophobicContact CG-CD2 3.84Å; L358-F388 HydrophobicContact CG-CE1 3.97Å; L358-F388 HydrophobicContact CG-CE2 3.66Å; L358-F388 HydrophobicContact CG-CG 4.08Å; L358-F388 HydrophobicContact CG-CZ 3.74Å; L384-F388 HydrophobicContact CB-CE2 4.16Å; L384-F388 WeakPolarHBondContact O-CD2 3.49Å; L384-F388 WeakPolarHBondContact O-CG 3.39Å; L384-F388 PolarHBondContact O-N 2.86Å; V385-F388 PolarHBondContact O-N 3.08Å; F388-L391 PolarHBondContact O-N 3.27Å; F388-G392 PolarHBondContact O-N 2.81Å |
| 389 | Q | 97.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 175 | -73.7 | -172.5 | 1 | 0 | 0 | 112.6 | V385 G392 E393 | V385-Q389 WeakPolarHBondContact O-CG 3.29Å; V385-Q389 PolarHBondContact O-N 3.3Å; Q389-G392 CarbonylContact O-C 3.55Å; Q389-G392 WeakPolarHBondContact O-CA 3.43Å; Q389-G392 PolarHBondContact O-N 2.81Å; Q389-G392 VanDerWaalsContact O-N 3.15Å; Q389-E393 PolarHBondContact O-N 3.28Å |
| 390 | S | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -37.1 | 176.6 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | N318 Y386 L387 G392 E393 L394 | N318-S390 VanDerWaalsContact CA-OG 3.24Å; N318-S390 WeakPolarHBondContact CA-OG 3.29Å; N318-S390 PolarHBondContact ND2-OG 3.2Å; N318-S390 PolarHBondContact O-OG 3.04Å; Y386-S390 VanDerWaalsContact O-CB 3.26Å; Y386-S390 WeakPolarHBondContact O-CB 3.49Å; Y386-S390 PolarHBondContact O-N 2.98Å; Y386-S390 PolarHBondContact O-OG 2.98Å; L387-S390 PolarHBondContact O-N 2.84Å; S390-G392 VanDerWaalsContact C-N 3.32Å; S390-E393 WeakPolarHBondContact O-CB 3.42Å; S390-E393 PolarHBondContact O-N 3.24Å; S390-L394 WeakPolarHBondContact O-CG 3.29Å; S390-L394 PolarHBondContact O-N 3Å |
| 391 | L | 96.7 | Very high | 92.2 | Very high | 31 Ų | 31 | 23.1 Ų | 23.1 | 16% | 0.162 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 170.6 | -70.8 | 174.7 | 0 | 0 | 0 | 110.8 | A325 L329 M355 L387 F388 E393 L394 F395 | A325-L391 HydrophobicContact CB-CD2 3.96Å; L329-L391 HydrophobicContact CD1-CD2 4.31Å; M355-L391 HydrophobicContact CB-CB 4.27Å; M355-L391 HydrophobicContact CG-CB 4.05Å; M355-L391 HydrophobicContact SD-CD1 4.26Å; L387-L391 HydrophobicContact CD1-CD1 4.14Å; L387-L391 HydrophobicContact CD1-CG 4.27Å; L387-L391 HydrophobicContact CG-CD1 4.31Å; L387-L391 WeakPolarHBondContact O-CG 3.49Å; L387-L391 PolarHBondContact O-N 2.7Å; F388-L391 PolarHBondContact O-N 3.27Å; L391-E393 VanDerWaalsContact C-N 3.31Å; L391-E393 PolarHBondContact O-N 3.2Å; L391-L394 PolarHBondContact O-N 2.85Å; L391-F395 HydrophobicContact CB-CE2 4.35Å; L391-F395 WeakPolarHBondContact O-CD2 3.03Å; L391-F395 PolarHBondContact O-N 3.33Å; L391-F395 VanDerWaalsContact O-N 3.1Å |
| 392 | G | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.3 | -44.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F388 Q389 S390 L394 F395 I396 | F388-G392 PolarHBondContact O-N 2.81Å; Q389-G392 CarbonylContact O-C 3.55Å; Q389-G392 WeakPolarHBondContact O-CA 3.43Å; Q389-G392 PolarHBondContact O-N 2.81Å; Q389-G392 VanDerWaalsContact O-N 3.15Å; S390-G392 VanDerWaalsContact C-N 3.32Å; G392-L394 PolarHBondContact O-N 3.29Å; G392-F395 PolarHBondContact O-N 2.89Å; G392-I396 PolarHBondContact O-N 2.89Å; G392-I396 VanDerWaalsContact O-N 3.08Å |
| 393 | E | 95.3 | Very high | 90.8 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 176.4 | -172.3 | -172.7 | 154.9 | 0 | 0 | 112.2 | Y149 F281 Y285 N318 Q389 S390 L391 F395 I396 S397 A398 | Y149-E393 PolarHBondContact OH-OE1 3.25Å; Y149-E393 VanDerWaalsContact OH-OE1 3.08Å; F281-E393 HydrophobicContact CE2-CB 4.19Å; F281-E393 HydrophobicContact CZ-CB 3.67Å; F281-E393 HydrophobicContact CZ-CG 3.95Å; Y285-E393 WeakPolarHBondContact CE2-OE2 3.26Å; N318-E393 PolarHBondContact ND2-OE2 3.27Å; N318-E393 PolarHBondContact OD1-OE2 3.38Å; Q389-E393 PolarHBondContact O-N 3.28Å; S390-E393 WeakPolarHBondContact O-CB 3.42Å; S390-E393 PolarHBondContact O-N 3.24Å; L391-E393 VanDerWaalsContact C-N 3.31Å; L391-E393 PolarHBondContact O-N 3.2Å; E393-F395 PolarHBondContact O-N 3.13Å; E393-I396 PolarHBondContact O-N 3.34Å; E393-S397 WeakPolarHBondContact O-CB 3.37Å; E393-S397 PolarHBondContact O-N 3.12Å; E393-A398 PolarHBondContact O-N 3.36Å; E393-A398 VanDerWaalsContact O-N 3.11Å |
| 394 | L | 93.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.4 | -30.1 | 178.8 | -71.2 | 173.7 | 0 | 0 | 0 | 112.7 | V322 A325 S326 L329 S390 L391 G392 | V322-L394 HydrophobicContact CG1-CD2 3.93Å; A325-L394 HydrophobicContact CB-CD1 3.74Å; S326-L394 WeakPolarHBondContact OG-CD2 3.47Å; L329-L394 HydrophobicContact CD1-CB 3.61Å; L329-L394 HydrophobicContact CD1-CD1 3.56Å; L329-L394 HydrophobicContact CD1-CG 4.19Å; S390-L394 WeakPolarHBondContact O-CG 3.29Å; S390-L394 PolarHBondContact O-N 3Å; L391-L394 PolarHBondContact O-N 2.85Å; G392-L394 PolarHBondContact O-N 3.29Å |
| 395 | F | 91.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 21.8 Ų | 21.8 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -81.9 | -26.4 | 178.7 | -77 | -55.2 | 0 | 0 | 0 | 114.3 | L329 Y333 K348 F349 L351 M355 L391 G392 E393 | L329-F395 HydrophobicContact CD1-CZ 4.47Å; L329-F395 HydrophobicContact CD2-CE1 4.31Å; L329-F395 HydrophobicContact CD2-CZ 3.9Å; Y333-F395 HydrophobicContact CE1-CE1 4.43Å; Y333-F395 VanDerWaalsContact OH-CD1 3.26Å; Y333-F395 WeakPolarHBondContact OH-CD1 3Å; Y333-F395 WeakPolarHBondContact OH-CE1 3.37Å; K348-F395 HydrophobicContact CB-CD1 4.26Å; K348-F395 WeakPolarHBondContact O-CB 3.29Å; F349-F395 WeakPolarHBondContact CD2-O 3.41Å; L351-F395 HydrophobicContact CB-CD2 4.43Å; L351-F395 HydrophobicContact CB-CE2 4.47Å; M355-F395 HydrophobicContact CG-CD2 4.4Å; M355-F395 HydrophobicContact CG-CE2 4.26Å; L391-F395 HydrophobicContact CB-CE2 4.35Å; L391-F395 WeakPolarHBondContact O-CD2 3.03Å; L391-F395 PolarHBondContact O-N 3.33Å; L391-F395 VanDerWaalsContact O-N 3.1Å; G392-F395 PolarHBondContact O-N 2.89Å; E393-F395 PolarHBondContact O-N 3.13Å |
| 396 | I | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -117.4 | -64.4 | -171.4 | -64.8 | 162.2 | 0 | 0 | 0 | 111.1 | A278 F281 F349 M353 G392 E393 L399 G400 | A278-I396 HydrophobicContact CB-CG2 4.19Å; F281-I396 HydrophobicContact CB-CD1 4.09Å; F281-I396 HydrophobicContact CB-CG2 3.93Å; F281-I396 HydrophobicContact CD1-CG2 4.19Å; F281-I396 HydrophobicContact CD2-CB 4.35Å; F281-I396 HydrophobicContact CD2-CD1 3.89Å; F281-I396 HydrophobicContact CG-CB 4.22Å; F281-I396 HydrophobicContact CG-CD1 4.17Å; F281-I396 HydrophobicContact CG-CG2 3.94Å; F349-I396 HydrophobicContact CB-CG1 4.3Å; F349-I396 HydrophobicContact CD1-CG1 4.16Å; F349-I396 HydrophobicContact CD1-CG2 4.06Å; F349-I396 HydrophobicContact CD2-CG1 4.46Å; F349-I396 HydrophobicContact CE1-CG2 3.79Å; F349-I396 HydrophobicContact CG-CG1 4.06Å; F349-I396 HydrophobicContact CZ-CG2 4.19Å; M353-I396 HydrophobicContact CE-CD1 3.32Å; M353-I396 HydrophobicContact CG-CD1 4.32Å; G392-I396 PolarHBondContact O-N 2.89Å; G392-I396 VanDerWaalsContact O-N 3.08Å; E393-I396 PolarHBondContact O-N 3.34Å; I396-L399 PolarHBondContact O-N 2.93Å; I396-G400 PolarHBondContact O-N 3.37Å |
| 397 | S | 84.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 25.2 Ų | 25.2 | 20% | 0.196 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.9 | -49.5 | -172.7 | -174 | 0 | 0 | 0 | 0 | 111.6 | Y282 E393 L399 G400 | Y282-S397 PolarHBondContact OH-OG 3.45Å; E393-S397 WeakPolarHBondContact O-CB 3.37Å; E393-S397 PolarHBondContact O-N 3.12Å; S397-L399 PolarHBondContact O-N 3.3Å; S397-G400 PolarHBondContact O-N 3.22Å |
| 398 | A | 75.9 | Confident | 88.2 | Confident | 43 Ų | 43 | 23.8 Ų | 23.8 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.5 | -26.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E393 | E393-A398 PolarHBondContact O-N 3.36Å; E393-A398 VanDerWaalsContact O-N 3.11Å |
| 399 | L | 76 | Confident | 87.8 | Confident | 30 Ų | 30 | 23.4 Ų | 23.4 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -97 | -5.1 | -179.2 | -62.1 | -178.1 | 0 | 0 | 0 | 113.7 | M345 K348 F349 I396 S397 L401 A402 M403 | M345-L399 HydrophobicContact CE-CB 4.33Å; M345-L399 HydrophobicContact SD-CD1 4.31Å; K348-L399 HydrophobicContact CB-CD1 4.17Å; K348-L399 HydrophobicContact CD-CD1 3.44Å; K348-L399 VanDerWaalsContact CD-CD1 3.44Å; K348-L399 HydrophobicContact CG-CD1 4.43Å; F349-L399 HydrophobicContact CE2-CB 4.21Å; I396-L399 PolarHBondContact O-N 2.93Å; S397-L399 PolarHBondContact O-N 3.3Å; L399-L401 PolarHBondContact O-N 2.89Å; L399-A402 PolarHBondContact O-N 2.91Å; L399-M403 WeakPolarHBondContact O-CB 3.48Å; L399-M403 PolarHBondContact O-N 3.5Å |
| 400 | G | 76 | Confident | 87.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | I396 S397 A402 M403 I404 | I396-G400 PolarHBondContact O-N 3.37Å; S397-G400 PolarHBondContact O-N 3.22Å; G400-A402 PolarHBondContact O-N 2.99Å; G400-M403 WeakPolarHBondContact O-CB 3.45Å; G400-M403 PolarHBondContact O-N 3.33Å; G400-I404 WeakPolarHBondContact O-CG1 3.37Å; G400-I404 PolarHBondContact O-N 2.96Å; G400-I404 VanDerWaalsContact O-N 3.08Å |
| 401 | L | 78.4 | Confident | 86.9 | Confident | 101 Ų | 101 | 36.6 Ų | 36.6 | 53% | 0.529 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.7 | -65.2 | 178.3 | 0 | 0 | 0 | 112.1 | L399 M403 I404 A405 L417 | L399-L401 PolarHBondContact O-N 2.89Å; L401-M403 VanDerWaalsContact C-N 3.33Å; L401-I404 PolarHBondContact O-N 3.47Å; L401-A405 WeakPolarHBondContact O-CB 3.36Å; L401-A405 PolarHBondContact O-N 2.77Å; L401-L417 HydrophobicContact CD2-CD2 3.44Å; L401-L417 VanDerWaalsContact CD2-CD2 3.44Å |
| 402 | A | 79.5 | Confident | 86.5 | Confident | 46 Ų | 46 | 35.7 Ų | 35.7 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.9 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M345 L399 G400 A405 A406 | M345-A402 HydrophobicContact CE-CB 3.94Å; L399-A402 PolarHBondContact O-N 2.91Å; G400-A402 PolarHBondContact O-N 2.99Å; A402-A405 PolarHBondContact O-N 3.39Å; A402-A406 VanDerWaalsContact O-CB 3.31Å; A402-A406 WeakPolarHBondContact O-CB 3.36Å; A402-A406 PolarHBondContact O-N 3.05Å |
| 403 | M | 87.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.8 | -48.2 | 173.9 | 175.7 | -77.3 | -71.1 | 0 | 0 | 110.9 | A271 L274 M275 M345 L399 G400 L401 A405 A406 L407 W420 | A271-M403 HydrophobicContact CB-SD 3.69Å; L274-M403 HydrophobicContact CB-CE 4.37Å; L274-M403 HydrophobicContact CB-CG 4.47Å; L274-M403 HydrophobicContact CD1-CG 3.63Å; L274-M403 HydrophobicContact CD1-SD 4.47Å; M275-M403 HydrophobicContact CG-CE 3.86Å; M345-M403 HydrophobicContact CE-CB 4.29Å; L399-M403 WeakPolarHBondContact O-CB 3.48Å; L399-M403 PolarHBondContact O-N 3.5Å; G400-M403 WeakPolarHBondContact O-CB 3.45Å; G400-M403 PolarHBondContact O-N 3.33Å; L401-M403 VanDerWaalsContact C-N 3.33Å; M403-A405 PolarHBondContact O-N 2.96Å; M403-A406 PolarHBondContact O-N 3.26Å; M403-L407 HydrophobicContact CG-CD1 3.83Å; M403-L407 WeakPolarHBondContact O-CB 3.45Å; M403-L407 WeakPolarHBondContact O-CG 3.26Å; M403-L407 PolarHBondContact O-N 3.06Å; M403-L407 HydrophobicContact SD-CD1 3.91Å; M403-W420 HydrophobicContact CE-CE3 4.32Å; M403-W420 HydrophobicContact CE-CZ3 4Å |
| 404 | I | 86.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 177.9 | -63.4 | 165.9 | 0 | 0 | 0 | 109.9 | G400 L401 A406 L407 V408 M413 I416 L417 W420 | G400-I404 WeakPolarHBondContact O-CG1 3.37Å; G400-I404 PolarHBondContact O-N 2.96Å; G400-I404 VanDerWaalsContact O-N 3.08Å; L401-I404 PolarHBondContact O-N 3.47Å; I404-A406 PolarHBondContact O-N 3.26Å; I404-L407 PolarHBondContact O-N 2.88Å; I404-V408 HydrophobicContact CG2-CB 4.29Å; I404-V408 HydrophobicContact CG2-CG2 4.23Å; I404-V408 VanDerWaalsContact O-CB 3.28Å; I404-V408 WeakPolarHBondContact O-CB 3.32Å; I404-V408 PolarHBondContact O-N 3.43Å; I404-M413 HydrophobicContact CG2-CE 4.28Å; I404-M413 HydrophobicContact CG2-SD 3.57Å; I404-M413 VanDerWaalsContact CG2-SD 3.57Å; I404-I416 HydrophobicContact CB-CG2 4.43Å; I404-I416 HydrophobicContact CD1-CG2 4.14Å; I404-I416 HydrophobicContact CG1-CG2 3.95Å; I404-I416 HydrophobicContact CG2-CB 4.03Å; I404-I416 HydrophobicContact CG2-CG2 3.65Å; I404-L417 HydrophobicContact CD1-CD2 4.07Å; I404-W420 HydrophobicContact CD1-CB 3.71Å; I404-W420 HydrophobicContact CD1-CD2 4.04Å; I404-W420 HydrophobicContact CD1-CE3 4.13Å; I404-W420 HydrophobicContact CD1-CG 3.85Å |
| 405 | A | 82.4 | Confident | 85.6 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.1 | -35.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L401 A402 M403 | L401-A405 WeakPolarHBondContact O-CB 3.36Å; L401-A405 PolarHBondContact O-N 2.77Å; A402-A405 PolarHBondContact O-N 3.39Å; M403-A405 PolarHBondContact O-N 2.96Å |
| 406 | A | 85.9 | Confident | 85.6 | Confident | 64 Ų | 64 | 41.1 Ų | 41.1 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -84.2 | -31.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A402 M403 I404 | A402-A406 VanDerWaalsContact O-CB 3.31Å; A402-A406 WeakPolarHBondContact O-CB 3.36Å; A402-A406 PolarHBondContact O-N 3.05Å; M403-A406 PolarHBondContact O-N 3.26Å; I404-A406 PolarHBondContact O-N 3.26Å |
| 407 | L | 90.6 | Very high | 85.5 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -105.6 | -18.8 | -170.1 | -62.3 | -175.5 | 0 | 0 | 0 | 114.2 | K267 V270 A271 L274 M403 I404 I483 | K267-L407 HydrophobicContact CB-CB 4.21Å; K267-L407 HydrophobicContact CB-CD2 4.2Å; K267-L407 WeakPolarHBondContact CB-O 3.34Å; K267-L407 HydrophobicContact CG-CD2 4.22Å; V270-L407 HydrophobicContact CB-CD1 4.33Å; V270-L407 HydrophobicContact CG1-CD1 4.02Å; A271-L407 HydrophobicContact CB-CB 4.08Å; A271-L407 HydrophobicContact CB-CD1 4.1Å; L274-L407 HydrophobicContact CD1-CD1 4.19Å; M403-L407 HydrophobicContact CG-CD1 3.83Å; M403-L407 WeakPolarHBondContact O-CB 3.45Å; M403-L407 WeakPolarHBondContact O-CG 3.26Å; M403-L407 PolarHBondContact O-N 3.06Å; M403-L407 HydrophobicContact SD-CD1 3.91Å; I404-L407 PolarHBondContact O-N 2.88Å; L407-I483 HydrophobicContact CD2-CD1 4.25Å; L407-I483 HydrophobicContact CD2-CG1 4.08Å; L407-I483 HydrophobicContact CD2-CG2 4.17Å |
| 408 | V | 90.7 | Very high | 85.8 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -110.6 | 141.5 | -171.3 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | A271 I404 L412 I416 | A271-V408 HydrophobicContact CB-CG2 4.23Å; I404-V408 HydrophobicContact CG2-CB 4.29Å; I404-V408 HydrophobicContact CG2-CG2 4.23Å; I404-V408 VanDerWaalsContact O-CB 3.28Å; I404-V408 WeakPolarHBondContact O-CB 3.32Å; I404-V408 PolarHBondContact O-N 3.43Å; V408-L412 HydrophobicContact CG1-CB 3.98Å; V408-I416 HydrophobicContact CB-CG1 4.38Å; V408-I416 HydrophobicContact CG1-CB 4.18Å; V408-I416 HydrophobicContact CG1-CG1 3.43Å; V408-I416 VanDerWaalsContact CG1-CG1 3.43Å; V408-I416 HydrophobicContact CG2-CG1 4.15Å; V408-I416 HydrophobicContact CG2-CG2 4.18Å |
| 409 | P | 89.9 | Confident | 86.7 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | trans | -58.5 | 138.5 | 171.7 | -20.8 | 30.6 | 0 | 0 | 0 | 113.1 | L260 H411 L412 | L260-P409 HydrophobicContact CD1-CG 3.55Å; L260-P409 HydrophobicContact CD2-CG 4.07Å; L260-P409 HydrophobicContact CG-CG 4.47Å; P409-H411 VanDerWaalsContact C-N 3.27Å; P409-H411 VanDerWaalsContact CB-CE1 3.44Å; P409-H411 WeakPolarHBondContact CB-CE1 3.2Å; P409-H411 PolarHBondContact O-N 2.95Å; P409-H411 VanDerWaalsContact O-N 3.16Å; P409-L412 HydrophobicContact CG-CD1 4.23Å; P409-L412 PolarHBondContact O-N 3.21Å | ||
| 410 | Q | 86.7 | Confident | 87.5 | Confident | 141 Ų | 141 | 40.7 Ų | 40.7 | 66% | 0.659 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -56.5 | -35.6 | -177.3 | -70.5 | -66.1 | -37.2 | 0 | 0 | 114 | L412 M413 | Q410-L412 PolarHBondContact O-N 3.38Å; Q410-M413 VanDerWaalsContact O-CB 3.23Å; Q410-M413 WeakPolarHBondContact O-CB 3.42Å; Q410-M413 PolarHBondContact O-N 3.47Å; Q410-M413 VanDerWaalsContact O-N 3.14Å |
| 411 | H | 88 | Confident | 88.3 | Confident | 145 Ų | 145 | 42.8 Ų | 42.8 | 67% | 0.671 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -69.7 | -12.9 | 178.4 | 68.8 | -90.7 | 0 | 0 | 0 | 113.9 | P409 | P409-H411 VanDerWaalsContact C-N 3.27Å; P409-H411 VanDerWaalsContact CB-CE1 3.44Å; P409-H411 WeakPolarHBondContact CB-CE1 3.2Å; P409-H411 PolarHBondContact O-N 2.95Å; P409-H411 VanDerWaalsContact O-N 3.16Å |
| 412 | L | 90 | Very high | 89 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -102.1 | 0.5 | 174.6 | -59.8 | 179.4 | 0 | 0 | 0 | 112.8 | Q256 M268 V408 P409 Q410 G414 F415 I416 | Q256-L412 HydrophobicContact CB-CD1 3.86Å; Q256-L412 HydrophobicContact CB-CD2 4.37Å; Q256-L412 HydrophobicContact CG-CD1 4.46Å; Q256-L412 HydrophobicContact CG-CD2 4.08Å; M268-L412 HydrophobicContact CE-CD1 4.16Å; M268-L412 HydrophobicContact SD-CD1 4.08Å; V408-L412 HydrophobicContact CG1-CB 3.98Å; P409-L412 HydrophobicContact CG-CD1 4.23Å; P409-L412 PolarHBondContact O-N 3.21Å; Q410-L412 PolarHBondContact O-N 3.38Å; L412-G414 PolarHBondContact O-N 3.5Å; L412-F415 PolarHBondContact O-N 2.95Å; L412-F415 VanDerWaalsContact O-N 3.09Å; L412-I416 HydrophobicContact CB-CG1 4.4Å; L412-I416 PolarHBondContact O-N 3.22Å |
| 413 | M | 86.5 | Confident | 89.7 | Confident | 35 Ų | 35 | 37.7 Ų | 37.7 | 17% | 0.172 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.7 | -51.3 | -170.9 | -171.7 | 57 | 64 | 0 | 0 | 112.6 | I404 Q410 F415 I416 L417 | I404-M413 HydrophobicContact CG2-CE 4.28Å; I404-M413 HydrophobicContact CG2-SD 3.57Å; I404-M413 VanDerWaalsContact CG2-SD 3.57Å; Q410-M413 VanDerWaalsContact O-CB 3.23Å; Q410-M413 WeakPolarHBondContact O-CB 3.42Å; Q410-M413 PolarHBondContact O-N 3.47Å; Q410-M413 VanDerWaalsContact O-N 3.14Å; M413-F415 VanDerWaalsContact C-N 3.32Å; M413-F415 PolarHBondContact O-N 3.41Å; M413-I416 PolarHBondContact O-N 3.26Å; M413-L417 HydrophobicContact CG-CD1 3.98Å; M413-L417 HydrophobicContact CG-CG 4.42Å; M413-L417 WeakPolarHBondContact O-CB 3.34Å; M413-L417 VanDerWaalsContact O-CG 3.29Å; M413-L417 WeakPolarHBondContact O-CG 3.37Å; M413-L417 PolarHBondContact O-N 2.89Å; M413-L417 HydrophobicContact SD-CD1 4.32Å; M413-L417 HydrophobicContact SD-CG 4.27Å |
| 414 | G | 86.1 | Confident | 90.1 | Very high | 58 Ų | 58 | 38.3 Ų | 38.3 | 60% | 0.598 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.6 | -38.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L412 G418 | L412-G414 PolarHBondContact O-N 3.5Å; G414-G418 PolarHBondContact O-N 3.27Å |
| 415 | F | 91.7 | Very high | 90.5 | Very high | 61 Ų | 61 | 38.4 Ų | 38.4 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.6 | -44 | 176.5 | 171.2 | -106 | 0 | 0 | 0 | 111.6 | V249 I252 F253 L412 M413 G418 M419 | V249-F415 HydrophobicContact CG1-CE2 4.02Å; V249-F415 HydrophobicContact CG1-CZ 3.84Å; I252-F415 HydrophobicContact CB-CE2 4.21Å; I252-F415 HydrophobicContact CB-CZ 3.84Å; I252-F415 HydrophobicContact CG2-CE1 4.14Å; I252-F415 HydrophobicContact CG2-CE2 3.74Å; I252-F415 HydrophobicContact CG2-CZ 3.51Å; F253-F415 HydrophobicContact CB-CE1 4.1Å; F253-F415 HydrophobicContact CB-CZ 4.37Å; F253-F415 HydrophobicContact CD2-CE1 4.37Å; L412-F415 PolarHBondContact O-N 2.95Å; L412-F415 VanDerWaalsContact O-N 3.09Å; M413-F415 VanDerWaalsContact C-N 3.32Å; M413-F415 PolarHBondContact O-N 3.41Å; F415-G418 PolarHBondContact O-N 2.99Å; F415-M419 PolarHBondContact O-N 3.3Å |
| 416 | I | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.9 | -35.4 | 179 | -58.1 | -49 | 0 | 0 | 0 | 112.4 | F253 M275 I404 V408 L412 M413 G418 M419 W420 | F253-I416 HydrophobicContact CD2-CD1 3.3Å; F253-I416 HydrophobicContact CE2-CD1 3.43Å; F253-I416 VanDerWaalsContact CE2-CD1 3.43Å; F253-I416 HydrophobicContact CE2-CG1 4.47Å; M275-I416 HydrophobicContact SD-CG2 4.34Å; I404-I416 HydrophobicContact CB-CG2 4.43Å; I404-I416 HydrophobicContact CD1-CG2 4.14Å; I404-I416 HydrophobicContact CG1-CG2 3.95Å; I404-I416 HydrophobicContact CG2-CB 4.03Å; I404-I416 HydrophobicContact CG2-CG2 3.65Å; V408-I416 HydrophobicContact CB-CG1 4.38Å; V408-I416 HydrophobicContact CG1-CB 4.18Å; V408-I416 HydrophobicContact CG1-CG1 3.43Å; V408-I416 VanDerWaalsContact CG1-CG1 3.43Å; V408-I416 HydrophobicContact CG2-CG1 4.15Å; V408-I416 HydrophobicContact CG2-CG2 4.18Å; L412-I416 HydrophobicContact CB-CG1 4.4Å; L412-I416 PolarHBondContact O-N 3.22Å; M413-I416 PolarHBondContact O-N 3.26Å; I416-G418 VanDerWaalsContact C-N 3.29Å; I416-G418 PolarHBondContact O-N 3.44Å; I416-M419 HydrophobicContact CD1-SD 4.42Å; I416-M419 CarbonylContact O-C 3.48Å; I416-M419 WeakPolarHBondContact O-CB 3.19Å; I416-M419 PolarHBondContact O-N 3.14Å; I416-M419 VanDerWaalsContact O-N 3.14Å; I416-W420 WeakPolarHBondContact O-CB 3.4Å; I416-W420 PolarHBondContact O-N 2.91Å |
| 417 | L | 89.5 | Confident | 91.7 | Very high | 52 Ų | 52 | 33.8 Ų | 33.8 | 27% | 0.272 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 171 | -71.6 | 173.6 | 0 | 0 | 0 | 111.1 | L401 I404 M413 M419 W420 F421 | L401-L417 HydrophobicContact CD2-CD2 3.44Å; L401-L417 VanDerWaalsContact CD2-CD2 3.44Å; I404-L417 HydrophobicContact CD1-CD2 4.07Å; M413-L417 HydrophobicContact CG-CD1 3.98Å; M413-L417 HydrophobicContact CG-CG 4.42Å; M413-L417 WeakPolarHBondContact O-CB 3.34Å; M413-L417 VanDerWaalsContact O-CG 3.29Å; M413-L417 WeakPolarHBondContact O-CG 3.37Å; M413-L417 PolarHBondContact O-N 2.89Å; M413-L417 HydrophobicContact SD-CD1 4.32Å; M413-L417 HydrophobicContact SD-CG 4.27Å; L417-M419 VanDerWaalsContact C-N 3.34Å; L417-M419 PolarHBondContact O-N 3.29Å; L417-W420 WeakPolarHBondContact O-CB 3.27Å; L417-W420 PolarHBondContact O-N 3.22Å; L417-F421 WeakPolarHBondContact O-CD2 3.21Å; L417-F421 PolarHBondContact O-N 2.98Å |
| 418 | G | 91 | Very high | 92 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59 | -44 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G414 F415 I416 W420 F421 L422 | G414-G418 PolarHBondContact O-N 3.27Å; F415-G418 PolarHBondContact O-N 2.99Å; I416-G418 VanDerWaalsContact C-N 3.29Å; I416-G418 PolarHBondContact O-N 3.44Å; G418-W420 VanDerWaalsContact C-N 3.33Å; G418-W420 PolarHBondContact O-N 3.13Å; G418-F421 PolarHBondContact O-N 3.02Å; G418-L422 PolarHBondContact O-N 3.35Å |
| 419 | M | 94.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.044 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 175.4 | -168.6 | -180 | 178.1 | 0 | 0 | 112.6 | V249 F253 F272 M275 F415 I416 L417 L422 T423 | V249-M419 HydrophobicContact CG1-CB 3.86Å; V249-M419 HydrophobicContact CG1-CG 3.56Å; V249-M419 HydrophobicContact CG1-SD 3.98Å; F253-M419 HydrophobicContact CB-CE 4.22Å; F253-M419 HydrophobicContact CB-SD 3.97Å; F253-M419 HydrophobicContact CD2-CE 4.19Å; F253-M419 HydrophobicContact CD2-SD 3.44Å; F253-M419 WeakPolarHBondContact CD2-SD 3.35Å; F253-M419 HydrophobicContact CE2-SD 4.15Å; F253-M419 HydrophobicContact CG-CE 4.14Å; F253-M419 HydrophobicContact CG-SD 3.89Å; F272-M419 HydrophobicContact CD2-CE 3.69Å; F272-M419 HydrophobicContact CE2-CE 3.6Å; M275-M419 HydrophobicContact CE-CB 3.93Å; M275-M419 HydrophobicContact CE-CE 4.3Å; M275-M419 HydrophobicContact CE-CG 3.51Å; M275-M419 HydrophobicContact CE-SD 3.94Å; M275-M419 HydrophobicContact SD-SD 4.47Å; F415-M419 PolarHBondContact O-N 3.3Å; I416-M419 HydrophobicContact CD1-SD 4.42Å; I416-M419 CarbonylContact O-C 3.48Å; I416-M419 WeakPolarHBondContact O-CB 3.19Å; I416-M419 PolarHBondContact O-N 3.14Å; I416-M419 VanDerWaalsContact O-N 3.14Å; L417-M419 VanDerWaalsContact C-N 3.34Å; L417-M419 PolarHBondContact O-N 3.29Å; M419-L422 WeakPolarHBondContact O-CB 3.48Å; M419-L422 PolarHBondContact O-N 3.38Å; M419-T423 PolarHBondContact O-N 3.01Å |
| 420 | W | 92.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.2 | -33.8 | 174.9 | 178.9 | -95.7 | 0 | 0 | 0 | 113.3 | M275 A278 Y282 M403 I404 I416 L417 G418 L422 T423 Q424 | M275-W420 HydrophobicContact CE-CB 4.43Å; M275-W420 HydrophobicContact CE-CE3 4.46Å; M275-W420 HydrophobicContact CG-CE3 3.94Å; M275-W420 HydrophobicContact CG-CZ3 4.11Å; A278-W420 HydrophobicContact CB-CH2 3.52Å; A278-W420 HydrophobicContact CB-CZ2 4.5Å; A278-W420 HydrophobicContact CB-CZ3 3.67Å; Y282-W420 HydrophobicContact CE2-CH2 4.38Å; Y282-W420 AromaticContact CE2-CZ2 3.93Å; Y282-W420 HydrophobicContact CE2-CZ2 3.93Å; Y282-W420 WeakPolarHBondContact OH-CZ2 3.47Å; M403-W420 HydrophobicContact CE-CE3 4.32Å; M403-W420 HydrophobicContact CE-CZ3 4Å; I404-W420 HydrophobicContact CD1-CB 3.71Å; I404-W420 HydrophobicContact CD1-CD2 4.04Å; I404-W420 HydrophobicContact CD1-CE3 4.13Å; I404-W420 HydrophobicContact CD1-CG 3.85Å; I416-W420 WeakPolarHBondContact O-CB 3.4Å; I416-W420 PolarHBondContact O-N 2.91Å; L417-W420 WeakPolarHBondContact O-CB 3.27Å; L417-W420 PolarHBondContact O-N 3.22Å; G418-W420 VanDerWaalsContact C-N 3.33Å; G418-W420 PolarHBondContact O-N 3.13Å; W420-L422 VanDerWaalsContact C-N 3.34Å; W420-T423 PolarHBondContact O-OG1 3.47Å; W420-Q424 PolarHBondContact O-N 3.43Å; W420-Q424 PolarHBondContact O-NE2 3.39Å |
| 421 | F | 92.8 | Very high | 93 | Very high | 44 Ų | 44 | 30 Ų | 30 | 19% | 0.193 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.5 | -30.9 | 170.5 | -67.1 | -57.1 | 0 | 0 | 0 | 111.9 | Y64 I67 L417 G418 Q424 A425 | Y64-F421 HydrophobicContact CD1-CD1 4.47Å; I67-F421 HydrophobicContact CB-CD1 4.34Å; I67-F421 HydrophobicContact CB-CD2 4.2Å; I67-F421 HydrophobicContact CB-CE2 4.37Å; I67-F421 HydrophobicContact CB-CG 4.19Å; I67-F421 HydrophobicContact CD1-CD1 3.56Å; I67-F421 HydrophobicContact CD1-CE1 3.67Å; I67-F421 HydrophobicContact CD1-CG 4.21Å; I67-F421 HydrophobicContact CD1-CZ 4.4Å; I67-F421 HydrophobicContact CG2-CD1 4.35Å; I67-F421 HydrophobicContact CG2-CD2 3.99Å; I67-F421 HydrophobicContact CG2-CE1 4.04Å; I67-F421 HydrophobicContact CG2-CE2 3.65Å; I67-F421 HydrophobicContact CG2-CG 4.33Å; I67-F421 HydrophobicContact CG2-CZ 3.69Å; L417-F421 WeakPolarHBondContact O-CD2 3.21Å; L417-F421 PolarHBondContact O-N 2.98Å; G418-F421 PolarHBondContact O-N 3.02Å; F421-Q424 PolarHBondContact O-N 2.98Å; F421-A425 PolarHBondContact O-N 3.26Å |
| 422 | L | 93.5 | Very high | 93.4 | Very high | 25 Ų | 25 | 23.2 Ų | 23.2 | 13% | 0.131 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67 | -37.1 | 174.2 | -167.2 | 66.4 | 0 | 0 | 0 | 112.4 | L242 L245 V249 G418 M419 W420 Q424 A425 A426 | L242-L422 HydrophobicContact CD1-CD1 3.53Å; L242-L422 HydrophobicContact CD1-CG 4.47Å; L245-L422 HydrophobicContact CB-CD1 4.49Å; V249-L422 HydrophobicContact CB-CD2 3.96Å; V249-L422 HydrophobicContact CG1-CD2 4.22Å; V249-L422 HydrophobicContact CG2-CD2 3.93Å; G418-L422 PolarHBondContact O-N 3.35Å; M419-L422 WeakPolarHBondContact O-CB 3.48Å; M419-L422 PolarHBondContact O-N 3.38Å; W420-L422 VanDerWaalsContact C-N 3.34Å; L422-Q424 VanDerWaalsContact C-N 3.34Å; L422-A425 PolarHBondContact O-N 3.07Å; L422-A426 PolarHBondContact O-N 3.22Å |
| 423 | T | 94.2 | Very high | 93.7 | Very high | 15 Ų | 15 | 29.2 Ų | 29.2 | 9% | 0.092 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 173.4 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | M275 V279 M419 W420 A427 | M275-T423 HydrophobicContact CB-CG2 4.26Å; M275-T423 HydrophobicContact CE-CG2 3.7Å; V279-T423 HydrophobicContact CG2-CG2 3.93Å; M419-T423 PolarHBondContact O-N 3.01Å; W420-T423 PolarHBondContact O-OG1 3.47Å; T423-A427 WeakPolarHBondContact O-CB 3.3Å; T423-A427 PolarHBondContact O-N 3.28Å |
| 424 | Q | 95.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -46.9 | 171.7 | -76.6 | 176 | 95.5 | 0 | 0 | 111.3 | Y64 Y282 W420 F421 L422 A426 A427 F428 | Y64-Q424 HydrophobicContact CD1-CB 3.97Å; Y64-Q424 HydrophobicContact CD1-CG 4.47Å; Y64-Q424 HydrophobicContact CD2-CB 4.25Å; Y64-Q424 HydrophobicContact CG-CB 3.83Å; Y282-Q424 HydrophobicContact CD1-CG 4.18Å; Y282-Q424 HydrophobicContact CD2-CB 4.48Å; Y282-Q424 HydrophobicContact CD2-CG 3.46Å; Y282-Q424 VanDerWaalsContact CD2-CG 3.46Å; Y282-Q424 HydrophobicContact CE1-CG 4.05Å; Y282-Q424 HydrophobicContact CE2-CG 3.29Å; Y282-Q424 HydrophobicContact CG-CG 3.93Å; W420-Q424 PolarHBondContact O-N 3.43Å; W420-Q424 PolarHBondContact O-NE2 3.39Å; F421-Q424 PolarHBondContact O-N 2.98Å; L422-Q424 VanDerWaalsContact C-N 3.34Å; Q424-A426 VanDerWaalsContact C-N 3.35Å; Q424-A426 PolarHBondContact O-N 3.34Å; Q424-A427 PolarHBondContact O-N 2.84Å; Q424-A427 VanDerWaalsContact O-N 3.14Å; Q424-F428 HydrophobicContact CB-CD2 4.46Å; Q424-F428 VanDerWaalsContact O-CD2 3.3Å; Q424-F428 WeakPolarHBondContact O-CD2 3.37Å; Q424-F428 PolarHBondContact O-N 2.99Å |
| 425 | A | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.3 | -47.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A61 L242 F421 L422 L429 | A61-A425 HydrophobicContact CB-CB 4.41Å; A61-A425 VanDerWaalsContact CB-O 3.23Å; A61-A425 WeakPolarHBondContact CB-O 3.49Å; A61-A425 WeakPolarHBondContact O-CB 3.35Å; L242-A425 HydrophobicContact CD1-CB 4.17Å; F421-A425 PolarHBondContact O-N 3.26Å; L422-A425 PolarHBondContact O-N 3.07Å; A425-L429 PolarHBondContact O-N 2.97Å |
| 426 | A | 95.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 24.4 Ų | 24.4 | 16% | 0.157 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L242 L422 Q424 L429 L430 | L242-A426 HydrophobicContact CD2-CB 4.29Å; L422-A426 PolarHBondContact O-N 3.22Å; Q424-A426 VanDerWaalsContact C-N 3.35Å; Q424-A426 PolarHBondContact O-N 3.34Å; A426-L429 PolarHBondContact O-N 3.08Å; A426-L430 WeakPolarHBondContact O-CB 3.35Å; A426-L430 VanDerWaalsContact O-CG 3.28Å; A426-L430 WeakPolarHBondContact O-CG 3.49Å; A426-L430 PolarHBondContact O-N 2.62Å |
| 427 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.8 | -40.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V279 Y282 I283 T423 Q424 L429 L430 G431 | V279-A427 HydrophobicContact CB-CB 4.5Å; V279-A427 HydrophobicContact CG1-CB 4.03Å; V279-A427 VanDerWaalsContact O-CB 3.32Å; V279-A427 WeakPolarHBondContact O-CB 3.48Å; Y282-A427 HydrophobicContact CG-CB 4.48Å; I283-A427 HydrophobicContact CG1-CB 4.07Å; I283-A427 WeakPolarHBondContact CG1-O 3.45Å; T423-A427 WeakPolarHBondContact O-CB 3.3Å; T423-A427 PolarHBondContact O-N 3.28Å; Q424-A427 PolarHBondContact O-N 2.84Å; Q424-A427 VanDerWaalsContact O-N 3.14Å; A427-L429 VanDerWaalsContact C-N 3.35Å; A427-L430 PolarHBondContact O-N 3.01Å; A427-G431 WeakPolarHBondContact O-CA 3.39Å; A427-G431 PolarHBondContact O-N 3.19Å |
| 428 | F | 96.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.2 | -35 | 177.6 | -87.8 | -82.6 | 0 | 0 | 0 | 112.1 | G57 A60 Y64 Y282 Y285 A286 Q424 G431 G432 | G57-F428 WeakPolarHBondContact CA-O 3.3Å; A60-F428 HydrophobicContact CB-CB 3.79Å; A60-F428 HydrophobicContact CB-CD1 3.57Å; A60-F428 HydrophobicContact CB-CE1 4.36Å; A60-F428 HydrophobicContact CB-CG 3.79Å; Y64-F428 AromaticContact CD2-CD2 3.55Å; Y64-F428 HydrophobicContact CD2-CD2 3.55Å; Y64-F428 AromaticContact CD2-CE2 3.78Å; Y64-F428 HydrophobicContact CD2-CE2 3.78Å; Y64-F428 HydrophobicContact CD2-CG 4.25Å; Y64-F428 AromaticContact CE2-CD2 3.38Å; Y64-F428 HydrophobicContact CE2-CD2 3.38Å; Y64-F428 HydrophobicContact CE2-CE1 4.32Å; Y64-F428 AromaticContact CE2-CE2 3.12Å; Y64-F428 HydrophobicContact CE2-CE2 3.12Å; Y64-F428 HydrophobicContact CE2-CG 4.11Å; Y64-F428 AromaticContact CE2-CZ 3.64Å; Y64-F428 HydrophobicContact CE2-CZ 3.64Å; Y64-F428 AromaticContact CZ-CE2 3.66Å; Y282-F428 HydrophobicContact CD1-CE2 4.25Å; Y285-F428 HydrophobicContact CD1-CE1 4.34Å; Y285-F428 AromaticContact CD1-CZ 3.83Å; Y285-F428 HydrophobicContact CD1-CZ 3.83Å; Y285-F428 HydrophobicContact CE1-CZ 4.28Å; A286-F428 HydrophobicContact CB-CD1 3.66Å; A286-F428 HydrophobicContact CB-CE1 3.91Å; A286-F428 HydrophobicContact CB-CG 4.42Å; Q424-F428 HydrophobicContact CB-CD2 4.46Å; Q424-F428 VanDerWaalsContact O-CD2 3.3Å; Q424-F428 WeakPolarHBondContact O-CD2 3.37Å; Q424-F428 PolarHBondContact O-N 2.99Å; F428-G431 PolarHBondContact O-N 3.45Å; F428-G432 PolarHBondContact O-N 2.93Å |
| 429 | L | 94.9 | Very high | 96 | Very high | 24 Ų | 24 | 27.6 Ų | 27.6 | 13% | 0.126 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -51 | 173.4 | -163.4 | 147.8 | 0 | 0 | 0 | 111 | A61 N239 L242 A425 A426 A427 G431 G432 Y433 | A61-L429 HydrophobicContact CB-CB 4.01Å; A61-L429 HydrophobicContact CB-CD1 4.27Å; N239-L429 WeakPolarHBondContact OD1-CD1 2.96Å; N239-L429 WeakPolarHBondContact OD1-CD2 3.26Å; N239-L429 WeakPolarHBondContact OD1-CG 3.16Å; L242-L429 HydrophobicContact CD2-CB 4.17Å; L242-L429 HydrophobicContact CD2-CD1 3.77Å; A425-L429 PolarHBondContact O-N 2.97Å; A426-L429 PolarHBondContact O-N 3.08Å; A427-L429 VanDerWaalsContact C-N 3.35Å; L429-G431 VanDerWaalsContact C-N 3.28Å; L429-G431 PolarHBondContact O-N 3.47Å; L429-G432 PolarHBondContact O-N 3.21Å; L429-Y433 PolarHBondContact O-N 3.16Å; L429-Y433 VanDerWaalsContact O-N 3.14Å |
| 430 | L | 96.2 | Very high | 96.1 | Very high | 80 Ų | 80 | 27.4 Ų | 27.4 | 42% | 0.419 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.1 | -36.1 | 176.5 | -69.3 | 173.8 | 0 | 0 | 0 | 111.8 | I283 A426 A427 Y433 V434 | I283-L430 HydrophobicContact CD1-CB 3.88Å; I283-L430 HydrophobicContact CD1-CD1 4.02Å; I283-L430 HydrophobicContact CG1-CB 3.9Å; A426-L430 WeakPolarHBondContact O-CB 3.35Å; A426-L430 VanDerWaalsContact O-CG 3.28Å; A426-L430 WeakPolarHBondContact O-CG 3.49Å; A426-L430 PolarHBondContact O-N 2.62Å; A427-L430 PolarHBondContact O-N 3.01Å; L430-Y433 CarbonylContact O-C 3.16Å; L430-Y433 WeakPolarHBondContact O-CB 3.16Å; L430-Y433 PolarHBondContact O-N 3.46Å; L430-V434 WeakPolarHBondContact O-CG2 3.39Å; L430-V434 PolarHBondContact O-N 3.46Å |
| 431 | G | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q287 A427 F428 L429 Y433 V434 A435 | Q287-G431 PolarHBondContact NE2-O 3.22Å; A427-G431 WeakPolarHBondContact O-CA 3.39Å; A427-G431 PolarHBondContact O-N 3.19Å; F428-G431 PolarHBondContact O-N 3.45Å; L429-G431 VanDerWaalsContact C-N 3.28Å; L429-G431 PolarHBondContact O-N 3.47Å; G431-Y433 VanDerWaalsContact C-N 3.31Å; G431-Y433 PolarHBondContact O-N 3.32Å; G431-V434 PolarHBondContact O-N 3.39Å; G431-A435 WeakPolarHBondContact O-CB 3.44Å; G431-A435 PolarHBondContact O-N 3.4Å |
| 432 | G | 96.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F428 L429 A435 T436 | F428-G432 PolarHBondContact O-N 2.93Å; L429-G432 PolarHBondContact O-N 3.21Å; G432-A435 PolarHBondContact O-N 2.92Å; G432-T436 WeakPolarHBondContact O-CG2 3.31Å; G432-T436 PolarHBondContact O-N 2.97Å |
| 433 | Y | 96.1 | Very high | 95.6 | Very high | 138 Ų | 138 | 39 Ų | 39 | 54% | 0.541 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 174.1 | -178.4 | -98.7 | 0 | 0 | 0 | 112.8 | L429 L430 G431 A435 T436 F437 | L429-Y433 PolarHBondContact O-N 3.16Å; L429-Y433 VanDerWaalsContact O-N 3.14Å; L430-Y433 CarbonylContact O-C 3.16Å; L430-Y433 WeakPolarHBondContact O-CB 3.16Å; L430-Y433 PolarHBondContact O-N 3.46Å; G431-Y433 VanDerWaalsContact C-N 3.31Å; G431-Y433 PolarHBondContact O-N 3.32Å; Y433-A435 PolarHBondContact O-N 2.81Å; Y433-T436 PolarHBondContact O-N 3.32Å; Y433-T436 VanDerWaalsContact O-N 3.12Å; Y433-T436 PolarHBondContact O-OG1 2.97Å; Y433-F437 HydrophobicContact CD1-CE2 4.29Å; Y433-F437 AromaticContact CE1-CE2 3.93Å; Y433-F437 HydrophobicContact CE1-CE2 3.93Å; Y433-F437 AromaticContact CE1-CZ 3.76Å; Y433-F437 HydrophobicContact CE1-CZ 3.76Å |
| 434 | V | 97.9 | Very high | 95.4 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -36.5 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | I283 L430 G431 T436 F437 I461 | I283-V434 HydrophobicContact CG2-CB 4.42Å; I283-V434 HydrophobicContact CG2-CG2 4.01Å; L430-V434 WeakPolarHBondContact O-CG2 3.39Å; L430-V434 PolarHBondContact O-N 3.46Å; G431-V434 PolarHBondContact O-N 3.39Å; V434-T436 PolarHBondContact O-N 2.95Å; V434-F437 WeakPolarHBondContact O-CB 3.48Å; V434-F437 WeakPolarHBondContact O-CD2 3.44Å; V434-F437 PolarHBondContact O-N 3.18Å; V434-I461 HydrophobicContact CG1-CD1 3.76Å; V434-I461 HydrophobicContact CG1-CG1 4.22Å |
| 435 | A | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -26 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F53 T290 G431 G432 Y433 F437 T438 | F53-A435 HydrophobicContact CB-CB 4Å; F53-A435 HydrophobicContact CD2-CB 3.82Å; F53-A435 VanDerWaalsContact CD2-O 3.25Å; F53-A435 WeakPolarHBondContact CD2-O 3.12Å; F53-A435 HydrophobicContact CE2-CB 4.49Å; F53-A435 WeakPolarHBondContact CE2-O 3.44Å; F53-A435 HydrophobicContact CG-CB 3.93Å; T290-A435 WeakPolarHBondContact OG1-CB 3.42Å; G431-A435 WeakPolarHBondContact O-CB 3.44Å; G431-A435 PolarHBondContact O-N 3.4Å; G432-A435 PolarHBondContact O-N 2.92Å; Y433-A435 PolarHBondContact O-N 2.81Å; A435-F437 PolarHBondContact O-N 2.84Å; A435-T438 PolarHBondContact O-N 3.21Å; A435-T438 PolarHBondContact O-OG1 3.16Å |
| 436 | T | 97.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 48.5 Ų | 48.5 | 13% | 0.129 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.7 | -24.7 | 177.4 | 72.7 | 0 | 0 | 0 | 0 | 112.7 | E50 F53 V54 G432 Y433 V434 T438 A439 | E50-T436 HydrophobicContact CG-CG2 3.91Å; F53-T436 HydrophobicContact CB-CG2 4.39Å; V54-T436 HydrophobicContact CG2-CG2 3.58Å; G432-T436 WeakPolarHBondContact O-CG2 3.31Å; G432-T436 PolarHBondContact O-N 2.97Å; Y433-T436 PolarHBondContact O-N 3.32Å; Y433-T436 VanDerWaalsContact O-N 3.12Å; Y433-T436 PolarHBondContact O-OG1 2.97Å; V434-T436 PolarHBondContact O-N 2.95Å; T436-T438 PolarHBondContact O-N 2.6Å; T436-T438 VanDerWaalsContact O-N 3.14Å; T436-A439 WeakPolarHBondContact O-CB 3.28Å; T436-A439 PolarHBondContact O-N 3.39Å |
| 437 | F | 97.8 | Very high | 95.2 | Very high | 116 Ų | 116 | 49.2 Ų | 49.2 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.7 | 172.1 | -63.2 | -58.7 | 0 | 0 | 0 | 113 | Y433 V434 A435 V457 | Y433-F437 HydrophobicContact CD1-CE2 4.29Å; Y433-F437 AromaticContact CE1-CE2 3.93Å; Y433-F437 HydrophobicContact CE1-CE2 3.93Å; Y433-F437 AromaticContact CE1-CZ 3.76Å; Y433-F437 HydrophobicContact CE1-CZ 3.76Å; V434-F437 WeakPolarHBondContact O-CB 3.48Å; V434-F437 WeakPolarHBondContact O-CD2 3.44Å; V434-F437 PolarHBondContact O-N 3.18Å; A435-F437 PolarHBondContact O-N 2.84Å; F437-V457 HydrophobicContact CB-CG1 4.11Å; F437-V457 HydrophobicContact CB-CG2 3.84Å; F437-V457 WeakPolarHBondContact O-CG2 3.49Å |
| 438 | T | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.1 | 173.1 | 70.5 | 0 | 0 | 0 | 0 | 114.1 | S291 A435 T436 V440 Y454 V457 F458 | S291-T438 WeakPolarHBondContact CB-OG1 3.42Å; A435-T438 PolarHBondContact O-N 3.21Å; A435-T438 PolarHBondContact O-OG1 3.16Å; T436-T438 PolarHBondContact O-N 2.6Å; T436-T438 VanDerWaalsContact O-N 3.14Å; T438-V440 PolarHBondContact O-N 3.17Å; T438-V440 VanDerWaalsContact O-N 3.12Å; T438-Y454 HydrophobicContact CG2-CD1 4.15Å; T438-Y454 WeakPolarHBondContact O-CE1 3.22Å; T438-V457 HydrophobicContact CG2-CB 3.66Å; T438-V457 HydrophobicContact CG2-CG1 3.62Å; T438-V457 HydrophobicContact CG2-CG2 3.97Å; T438-F458 HydrophobicContact CG2-CE1 4.16Å |
| 439 | A | 97.2 | Very high | 95.2 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | trans | -66.6 | 114.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q49 E50 F53 T436 | Q49-A439 HydrophobicContact CB-CB 3.88Å; E50-A439 HydrophobicContact CB-CB 3.95Å; F53-A439 HydrophobicContact CE2-CB 4.36Å; T436-A439 WeakPolarHBondContact O-CB 3.28Å; T436-A439 PolarHBondContact O-N 3.39Å | ||
| 440 | V | 95.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | trans | -83.7 | 131.2 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | T438 I444 T450 V453 Y454 | T438-V440 PolarHBondContact O-N 3.17Å; T438-V440 VanDerWaalsContact O-N 3.12Å; V440-I444 HydrophobicContact CG1-CB 3.71Å; V440-I444 HydrophobicContact CG1-CG2 3.94Å; V440-T450 HydrophobicContact CB-CG2 4.42Å; V440-T450 HydrophobicContact CG1-CG2 3.65Å; V440-T450 HydrophobicContact CG2-CG2 4Å; V440-V453 HydrophobicContact CG2-CB 4.48Å; V440-V453 HydrophobicContact CG2-CG1 4.33Å; V440-Y454 HydrophobicContact CG2-CE1 4.47Å; V440-Y454 HydrophobicContact CG2-CE2 3.96Å; V440-Y454 WeakPolarHBondContact CG2-OH 3.21Å | ||
| 441 | P | 92.5 | Very high | 95.3 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | trans | -55.4 | 143.5 | 171.8 | -27 | 35.3 | 0 | 0 | 0 | 113.1 | N443 I444 | P441-N443 WeakPolarHBondContact CB-OD1 3.46Å; P441-N443 PolarHBondContact O-N 3.3Å; P441-I444 HydrophobicContact CB-CD1 4.36Å; P441-I444 HydrophobicContact CB-CG1 4.34Å; P441-I444 HydrophobicContact CG-CD1 4.11Å; P441-I444 PolarHBondContact O-N 3.05Å | ||
| 442 | D | 86.5 | Confident | 95.3 | Very high | 116 Ų | 116 | 57.5 Ų | 57.5 | 62% | 0.62 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20 | -173.1 | -58.4 | -34.4 | 0 | 0 | 0 | 114.3 | ||
| 443 | N | 89.2 | Confident | 95.3 | Very high | 137 Ų | 137 | 59.6 Ų | 59.6 | 73% | 0.733 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -8.4 | 177.4 | 68.1 | -49.3 | 0 | 0 | 0 | 113.9 | P441 | P441-N443 WeakPolarHBondContact CB-OD1 3.46Å; P441-N443 PolarHBondContact O-N 3.3Å |
| 444 | I | 91.5 | Very high | 95.4 | Very high | 41 Ų | 41 | 53 Ų | 53 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | trans | -101 | 110.7 | -180 | -58.7 | -176.3 | 0 | 0 | 0 | 108.9 | V440 P441 E449 T450 | V440-I444 HydrophobicContact CG1-CB 3.71Å; V440-I444 HydrophobicContact CG1-CG2 3.94Å; P441-I444 HydrophobicContact CB-CD1 4.36Å; P441-I444 HydrophobicContact CB-CG1 4.34Å; P441-I444 HydrophobicContact CG-CD1 4.11Å; P441-I444 PolarHBondContact O-N 3.05Å; I444-E449 HydrophobicContact CG2-CB 3.42Å; I444-E449 VanDerWaalsContact CG2-CB 3.42Å; I444-E449 HydrophobicContact CG2-CG 4.37Å; I444-T450 HydrophobicContact CG2-CG2 3.89Å | ||
| 445 | T | 89.4 | Confident | 95.3 | Very high | 125 Ų | 125 | 51.8 Ų | 51.8 | 77% | 0.767 | 29% | 0.287 | S | S | * | . | trans | -118.4 | -12.4 | 178.5 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | P447 | T445-P447 WeakPolarHBondContact O-CD 3.23Š| ||
| 446 | D | 95.7 | Very high | 95.3 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 34% | 0.342 | 31% | 0.308 | S | S | . | . | trans | -72.7 | 120.6 | 179.1 | -172.9 | -13.8 | 0 | 0 | 0 | 109.9 | L448 E449 T450 | D446-L448 PolarHBondContact O-N 3.23Å; D446-L448 VanDerWaalsContact O-N 3.13Å; D446-L448 WeakPolarHBondContact OD1-CB 3.41Å; D446-L448 PolarHBondContact OD1-N 3.07Å; D446-E449 HydrophobicContact CB-CB 4.4Å; D446-E449 HydrophobicContact CB-CG 4.16Å; D446-E449 PolarHBondContact O-N 3.37Å; D446-T450 PolarHBondContact O-N 2.91Å; D446-T450 VanDerWaalsContact O-N 3.11Å | ||
| 447 | P | 96.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54 | -29.9 | 174.9 | -25.8 | 35.2 | 0 | 0 | 0 | 113.8 | N298 N299 Q374 L376 T445 E449 T450 L451 | N298-P447 WeakPolarHBondContact O-CB 3.48Å; N299-P447 PolarHBondContact ND2-O 3.38Å; Q374-P447 WeakPolarHBondContact O-CB 3.4Å; L376-P447 HydrophobicContact CD2-CB 3.97Å; L376-P447 HydrophobicContact CD2-CG 4.14Å; T445-P447 WeakPolarHBondContact O-CD 3.23Å; P447-E449 VanDerWaalsContact C-N 3.25Å; P447-E449 PolarHBondContact O-N 3.38Å; P447-T450 WeakPolarHBondContact CA-OG1 3.37Å; P447-T450 PolarHBondContact O-N 3.5Å; P447-T450 PolarHBondContact O-OG1 2.92Å; P447-L451 WeakPolarHBondContact O-CB 3.25Å; P447-L451 PolarHBondContact O-N 3.35Å |
| 448 | L | 96.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.6 | -31.7 | 175.7 | -70 | 168.7 | 0 | 0 | 0 | 112.6 | D446 P452 | D446-L448 PolarHBondContact O-N 3.23Å; D446-L448 VanDerWaalsContact O-N 3.13Å; D446-L448 WeakPolarHBondContact OD1-CB 3.41Å; D446-L448 PolarHBondContact OD1-N 3.07Å; L448-P452 WeakPolarHBondContact O-CD 3.48Å |
| 449 | E | 96.3 | Very high | 95.3 | Very high | 106 Ų | 106 | 50.2 Ų | 50.2 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -84.1 | -35.2 | 177 | -67.1 | -173.9 | -117.2 | 0 | 0 | 111.9 | I444 D446 P447 P452 | I444-E449 HydrophobicContact CG2-CB 3.42Å; I444-E449 VanDerWaalsContact CG2-CB 3.42Å; I444-E449 HydrophobicContact CG2-CG 4.37Å; D446-E449 HydrophobicContact CB-CB 4.4Å; D446-E449 HydrophobicContact CB-CG 4.16Å; D446-E449 PolarHBondContact O-N 3.37Å; P447-E449 VanDerWaalsContact C-N 3.25Å; P447-E449 PolarHBondContact O-N 3.38Å; E449-P452 WeakPolarHBondContact O-CD 3.37Å; E449-P452 WeakPolarHBondContact O-CG 3.44Å |
| 450 | T | 97.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.6 | -33.6 | -179.7 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | N299 V440 I444 D446 P447 V453 Y454 | N299-T450 VanDerWaalsContact CG-OG1 3.3Å; N299-T450 PolarHBondContact ND2-OG1 3.18Å; N299-T450 VanDerWaalsContact ND2-OG1 3.15Å; N299-T450 PolarHBondContact OD1-OG1 3.34Å; V440-T450 HydrophobicContact CB-CG2 4.42Å; V440-T450 HydrophobicContact CG1-CG2 3.65Å; V440-T450 HydrophobicContact CG2-CG2 4Å; I444-T450 HydrophobicContact CG2-CG2 3.89Å; D446-T450 PolarHBondContact O-N 2.91Å; D446-T450 VanDerWaalsContact O-N 3.11Å; P447-T450 WeakPolarHBondContact CA-OG1 3.37Å; P447-T450 PolarHBondContact O-N 3.5Å; P447-T450 PolarHBondContact O-OG1 2.92Å; T450-V453 WeakPolarHBondContact O-CB 3.11Å; T450-V453 PolarHBondContact O-N 3.05Å; T450-V453 VanDerWaalsContact O-N 3.11Å; T450-Y454 WeakPolarHBondContact O-CD2 3.35Å; T450-Y454 PolarHBondContact O-N 3.24Å |
| 451 | L | 97.6 | Very high | 95.5 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52.8 | -51.2 | -177.6 | -174 | 66.6 | 0 | 0 | 0 | 114.1 | F295 N299 A371 T377 P447 V453 Y454 T455 | F295-L451 HydrophobicContact CE2-CD1 3.92Å; N299-L451 HydrophobicContact CB-CD1 3.93Å; N299-L451 WeakPolarHBondContact ND2-CB 3.21Å; N299-L451 PolarHBondContact ND2-N 3.17Å; A371-L451 HydrophobicContact CB-CD2 3.4Å; A371-L451 VanDerWaalsContact CB-CD2 3.4Å; T377-L451 HydrophobicContact CG2-CD1 4.15Å; P447-L451 WeakPolarHBondContact O-CB 3.25Å; P447-L451 PolarHBondContact O-N 3.35Å; L451-V453 VanDerWaalsContact C-N 3.26Å; L451-V453 PolarHBondContact O-N 3.38Å; L451-Y454 PolarHBondContact O-N 3.03Å; L451-T455 HydrophobicContact CD1-CG2 3.88Å; L451-T455 HydrophobicContact CG-CG2 4.19Å; L451-T455 WeakPolarHBondContact O-CB 3.29Å; L451-T455 WeakPolarHBondContact O-CG2 3.12Å; L451-T455 PolarHBondContact O-N 3.02Å; L451-T455 PolarHBondContact O-OG1 3.26Å |
| 452 | P | 96.7 | Very high | 95.8 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -29.6 | 179.4 | 24.4 | -34.9 | 0 | 0 | 0 | 113 | L448 E449 T455 N456 | L448-P452 WeakPolarHBondContact O-CD 3.48Å; E449-P452 WeakPolarHBondContact O-CD 3.37Å; E449-P452 WeakPolarHBondContact O-CG 3.44Å; P452-T455 WeakPolarHBondContact CA-OG1 3.35Å; P452-T455 PolarHBondContact O-OG1 3.11Å; P452-N456 WeakPolarHBondContact O-CB 3.43Å; P452-N456 PolarHBondContact O-N 3.17Å; P452-N456 VanDerWaalsContact O-N 3.1Å |
| 453 | V | 96.8 | Very high | 96.4 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.8 | -52.8 | 176.9 | -180 | 0 | 0 | 0 | 0 | 110 | V440 T450 L451 V457 | V440-V453 HydrophobicContact CG2-CB 4.48Å; V440-V453 HydrophobicContact CG2-CG1 4.33Å; T450-V453 WeakPolarHBondContact O-CB 3.11Å; T450-V453 PolarHBondContact O-N 3.05Å; T450-V453 VanDerWaalsContact O-N 3.11Å; L451-V453 VanDerWaalsContact C-N 3.26Å; L451-V453 PolarHBondContact O-N 3.38Å; V453-V457 WeakPolarHBondContact O-CG2 3.49Å |
| 454 | Y | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -51.2 | 179.1 | -66.2 | -63.3 | 0 | 0 | 0 | 112.2 | Q49 F294 F295 N298 N299 T438 V440 T450 L451 N456 V457 F458 | Q49-Y454 PolarHBondContact OE1-OH 3.28Å; F294-Y454 HydrophobicContact CB-CE1 4.25Å; F295-Y454 HydrophobicContact CB-CD1 4.02Å; F295-Y454 HydrophobicContact CB-CD2 4.28Å; F295-Y454 HydrophobicContact CB-CE1 4.48Å; F295-Y454 HydrophobicContact CB-CG 3.95Å; F295-Y454 AromaticContact CD2-CD2 3.96Å; F295-Y454 HydrophobicContact CD2-CD2 3.96Å; F295-Y454 AromaticContact CD2-CG 3.93Å; F295-Y454 HydrophobicContact CD2-CG 3.93Å; F295-Y454 HydrophobicContact CG-CG 4.39Å; N298-Y454 HydrophobicContact CB-CE2 4.31Å; N298-Y454 PolarHBondContact ND2-OH 3.31Å; N298-Y454 VanDerWaalsContact ND2-OH 3.1Å; N299-Y454 WeakPolarHBondContact OD1-CD2 3.38Å; N299-Y454 VanDerWaalsContact OD1-CE2 3.31Å; N299-Y454 WeakPolarHBondContact OD1-CE2 3.48Å; T438-Y454 HydrophobicContact CG2-CD1 4.15Å; T438-Y454 WeakPolarHBondContact O-CE1 3.22Å; V440-Y454 HydrophobicContact CG2-CE1 4.47Å; V440-Y454 HydrophobicContact CG2-CE2 3.96Å; V440-Y454 WeakPolarHBondContact CG2-OH 3.21Å; T450-Y454 WeakPolarHBondContact O-CD2 3.35Å; T450-Y454 PolarHBondContact O-N 3.24Å; L451-Y454 PolarHBondContact O-N 3.03Å; Y454-N456 PolarHBondContact O-N 2.93Å; Y454-V457 PolarHBondContact O-N 3.31Å; Y454-F458 HydrophobicContact CD1-CZ 4.21Å; Y454-F458 WeakPolarHBondContact O-CD2 3.48Å; Y454-F458 WeakPolarHBondContact O-CG 3.06Å; Y454-F458 PolarHBondContact O-N 3.38Å |
| 455 | T | 97 | Very high | 97.1 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.043 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.6 | -35 | -170.9 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | M368 L451 P452 F458 G459 | M368-T455 WeakPolarHBondContact CE-O 3.34Å; L451-T455 HydrophobicContact CD1-CG2 3.88Å; L451-T455 HydrophobicContact CG-CG2 4.19Å; L451-T455 WeakPolarHBondContact O-CB 3.29Å; L451-T455 WeakPolarHBondContact O-CG2 3.12Å; L451-T455 PolarHBondContact O-N 3.02Å; L451-T455 PolarHBondContact O-OG1 3.26Å; P452-T455 WeakPolarHBondContact CA-OG1 3.35Å; P452-T455 PolarHBondContact O-OG1 3.11Å; T455-F458 PolarHBondContact O-N 2.87Å; T455-G459 PolarHBondContact O-N 2.88Å |
| 456 | N | 97.5 | Very high | 97.5 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 174.8 | -174.4 | -47.9 | 0 | 0 | 0 | 111.2 | P452 Y454 G459 K460 | P452-N456 WeakPolarHBondContact O-CB 3.43Å; P452-N456 PolarHBondContact O-N 3.17Å; P452-N456 VanDerWaalsContact O-N 3.1Å; Y454-N456 PolarHBondContact O-N 2.93Å; N456-G459 PolarHBondContact O-N 3.41Å; N456-K460 WeakPolarHBondContact O-CG 3.31Å; N456-K460 PolarHBondContact O-N 3.02Å; N456-K460 WeakPolarHBondContact OD1-CE 3.45Å; N456-K460 PolarHBondContact OD1-NZ 3.47Å |
| 457 | V | 97.9 | Very high | 97.7 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 9% | 0.085 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 178.9 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | F437 T438 V453 Y454 G459 K460 I461 | F437-V457 HydrophobicContact CB-CG1 4.11Å; F437-V457 HydrophobicContact CB-CG2 3.84Å; F437-V457 WeakPolarHBondContact O-CG2 3.49Å; T438-V457 HydrophobicContact CG2-CB 3.66Å; T438-V457 HydrophobicContact CG2-CG1 3.62Å; T438-V457 HydrophobicContact CG2-CG2 3.97Å; V453-V457 WeakPolarHBondContact O-CG2 3.49Å; Y454-V457 PolarHBondContact O-N 3.31Å; V457-G459 VanDerWaalsContact C-N 3.29Å; V457-G459 PolarHBondContact O-N 2.87Å; V457-K460 WeakPolarHBondContact O-CB 3.4Å; V457-K460 PolarHBondContact O-N 3.21Å; V457-I461 HydrophobicContact CG1-CD1 3.84Å; V457-I461 HydrophobicContact CG1-CG1 4.26Å; V457-I461 WeakPolarHBondContact O-CG1 3.42Å; V457-I461 PolarHBondContact O-N 3.43Å |
| 458 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 175.8 | -61.6 | -21.6 | 0 | 0 | 0 | 112.3 | L292 F295 F360 A363 A364 T438 Y454 T455 I461 G462 | L292-F458 HydrophobicContact CD2-CE1 4.13Å; L292-F458 HydrophobicContact CD2-CE2 3.95Å; L292-F458 HydrophobicContact CD2-CZ 3.74Å; L292-F458 HydrophobicContact CG-CE1 4.39Å; L292-F458 HydrophobicContact CG-CZ 4.23Å; F295-F458 HydrophobicContact CB-CE2 3.78Å; F295-F458 HydrophobicContact CB-CZ 3.91Å; F295-F458 AromaticContact CD1-CE2 3.87Å; F295-F458 HydrophobicContact CD1-CE2 3.87Å; F295-F458 HydrophobicContact CD2-CE2 4.04Å; F295-F458 AromaticContact CG-CE2 3.62Å; F295-F458 HydrophobicContact CG-CE2 3.62Å; F295-F458 HydrophobicContact CG-CZ 4.27Å; F360-F458 HydrophobicContact CD1-CB 4.19Å; F360-F458 AromaticContact CD1-CD1 3.82Å; F360-F458 HydrophobicContact CD1-CD1 3.82Å; F360-F458 HydrophobicContact CD1-CG 4.19Å; F360-F458 AromaticContact CE1-CD1 3.94Å; F360-F458 HydrophobicContact CE1-CD1 3.94Å; F360-F458 HydrophobicContact CE1-CE1 4.31Å; A363-F458 HydrophobicContact CB-CB 4.23Å; A363-F458 HydrophobicContact CB-CD2 3.62Å; A363-F458 HydrophobicContact CB-CE2 4.27Å; A363-F458 HydrophobicContact CB-CG 4.13Å; A364-F458 HydrophobicContact CB-CB 4.22Å; T438-F458 HydrophobicContact CG2-CE1 4.16Å; Y454-F458 HydrophobicContact CD1-CZ 4.21Å; Y454-F458 WeakPolarHBondContact O-CD2 3.48Å; Y454-F458 WeakPolarHBondContact O-CG 3.06Å; Y454-F458 PolarHBondContact O-N 3.38Å; T455-F458 PolarHBondContact O-N 2.87Å; F458-I461 HydrophobicContact CD1-CD1 4.46Å; F458-I461 PolarHBondContact O-N 2.96Å; F458-G462 PolarHBondContact O-N 2.83Å |
| 459 | G | 98.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T455 N456 V457 G462 L463 | T455-G459 PolarHBondContact O-N 2.88Å; N456-G459 PolarHBondContact O-N 3.41Å; V457-G459 VanDerWaalsContact C-N 3.29Å; V457-G459 PolarHBondContact O-N 2.87Å; G459-G462 PolarHBondContact O-N 3.42Å; G459-L463 WeakPolarHBondContact O-CB 3.38Å; G459-L463 VanDerWaalsContact O-CG 3.29Å; G459-L463 WeakPolarHBondContact O-CG 3.3Å; G459-L463 PolarHBondContact O-N 2.96Å |
| 460 | K | 98.2 | Very high | 97.9 | Very high | 127 Ų | 127 | 39.1 Ų | 39.1 | 55% | 0.552 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.8 | -47.6 | 175.3 | -72.7 | 169 | 176.8 | 158.5 | 0 | 112 | N456 V457 G462 L463 V464 | N456-K460 WeakPolarHBondContact O-CG 3.31Å; N456-K460 PolarHBondContact O-N 3.02Å; N456-K460 WeakPolarHBondContact OD1-CE 3.45Å; N456-K460 PolarHBondContact OD1-NZ 3.47Å; V457-K460 WeakPolarHBondContact O-CB 3.4Å; V457-K460 PolarHBondContact O-N 3.21Å; K460-G462 VanDerWaalsContact C-N 3.33Å; K460-G462 PolarHBondContact O-N 3.14Å; K460-L463 PolarHBondContact O-N 3.19Å; K460-V464 WeakPolarHBondContact O-CB 3.35Å; K460-V464 VanDerWaalsContact O-CG2 3.28Å; K460-V464 WeakPolarHBondContact O-CG2 3.48Å; K460-V464 PolarHBondContact O-N 3.25Å |
| 461 | I | 98.1 | Very high | 97.9 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.092 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 176.7 | -69.6 | 172.9 | 0 | 0 | 0 | 110.2 | L284 F360 V434 V457 F458 L463 V464 T465 | L284-I461 HydrophobicContact CD2-CG2 3.21Å; F360-I461 HydrophobicContact CB-CB 4.4Å; F360-I461 HydrophobicContact CB-CG2 4.01Å; F360-I461 HydrophobicContact CD1-CB 3.98Å; F360-I461 HydrophobicContact CD1-CD1 4.18Å; F360-I461 HydrophobicContact CD1-CG2 3.59Å; F360-I461 HydrophobicContact CD2-CG2 3.7Å; F360-I461 HydrophobicContact CE1-CB 4.49Å; F360-I461 HydrophobicContact CE1-CD1 3.96Å; F360-I461 HydrophobicContact CE1-CG2 3.92Å; F360-I461 HydrophobicContact CE2-CG2 4.05Å; F360-I461 HydrophobicContact CG-CB 4.15Å; F360-I461 HydrophobicContact CG-CG2 3.46Å; F360-I461 VanDerWaalsContact CG-CG2 3.46Å; F360-I461 HydrophobicContact CZ-CG2 4.13Å; V434-I461 HydrophobicContact CG1-CD1 3.76Å; V434-I461 HydrophobicContact CG1-CG1 4.22Å; V457-I461 HydrophobicContact CG1-CD1 3.84Å; V457-I461 HydrophobicContact CG1-CG1 4.26Å; V457-I461 WeakPolarHBondContact O-CG1 3.42Å; V457-I461 PolarHBondContact O-N 3.43Å; F458-I461 HydrophobicContact CD1-CD1 4.46Å; F458-I461 PolarHBondContact O-N 2.96Å; I461-L463 PolarHBondContact O-N 3.48Å; I461-V464 PolarHBondContact O-N 3.46Å; I461-T465 VanDerWaalsContact O-CB 3.26Å; I461-T465 WeakPolarHBondContact O-CB 3.44Å; I461-T465 PolarHBondContact O-N 3.37Å; I461-T465 PolarHBondContact O-OG1 2.98Å |
| 462 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -45.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S357 F458 G459 K460 L466 | S357-G462 PolarHBondContact OG-O 3.49Å; F458-G462 PolarHBondContact O-N 2.83Å; G459-G462 PolarHBondContact O-N 3.42Å; K460-G462 VanDerWaalsContact C-N 3.33Å; K460-G462 PolarHBondContact O-N 3.14Å; G462-L466 WeakPolarHBondContact O-CB 3.39Å; G462-L466 PolarHBondContact O-N 2.94Å |
| 463 | L | 98.5 | Very high | 97.9 | Very high | 113 Ų | 113 | 43.6 Ų | 43.6 | 59% | 0.592 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70.4 | -42.8 | 179.1 | -68.5 | 173.6 | 0 | 0 | 0 | 112.9 | L361 G459 K460 I461 T465 L466 G467 | L361-L463 HydrophobicContact CD2-CD2 4.23Å; L361-L463 HydrophobicContact CD2-CG 4.24Å; G459-L463 WeakPolarHBondContact O-CB 3.38Å; G459-L463 VanDerWaalsContact O-CG 3.29Å; G459-L463 WeakPolarHBondContact O-CG 3.3Å; G459-L463 PolarHBondContact O-N 2.96Å; K460-L463 PolarHBondContact O-N 3.19Å; I461-L463 PolarHBondContact O-N 3.48Å; L463-T465 VanDerWaalsContact C-N 3.34Å; L463-L466 WeakPolarHBondContact O-CB 3.46Å; L463-L466 PolarHBondContact O-N 3.45Å; L463-G467 PolarHBondContact O-N 2.89Å |
| 464 | V | 98.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 62% | 0.624 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 175.9 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | K460 I461 L466 G467 V468 | K460-V464 WeakPolarHBondContact O-CB 3.35Å; K460-V464 VanDerWaalsContact O-CG2 3.28Å; K460-V464 WeakPolarHBondContact O-CG2 3.48Å; K460-V464 PolarHBondContact O-N 3.25Å; I461-V464 PolarHBondContact O-N 3.46Å; V464-L466 VanDerWaalsContact C-N 3.32Å; V464-L466 PolarHBondContact O-N 3.09Å; V464-G467 WeakPolarHBondContact O-CA 3.5Å; V464-G467 PolarHBondContact O-N 3.06Å; V464-G467 VanDerWaalsContact O-N 3.13Å; V464-V468 PolarHBondContact O-N 3.17Å |
| 465 | T | 98 | Very high | 97.9 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 177 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | L284 M353 C356 I461 L463 G467 V468 A469 | L284-T465 HydrophobicContact CD1-CG2 3.55Å; M353-T465 WeakPolarHBondContact O-CG2 3.44Å; M353-T465 HydrophobicContact SD-CG2 4.32Å; C356-T465 HydrophobicContact CB-CG2 4.2Å; I461-T465 VanDerWaalsContact O-CB 3.26Å; I461-T465 WeakPolarHBondContact O-CB 3.44Å; I461-T465 PolarHBondContact O-N 3.37Å; I461-T465 PolarHBondContact O-OG1 2.98Å; L463-T465 VanDerWaalsContact C-N 3.34Å; T465-G467 VanDerWaalsContact C-N 3.31Å; T465-G467 PolarHBondContact O-N 3.33Å; T465-V468 PolarHBondContact O-N 3.21Å; T465-A469 PolarHBondContact O-N 3.29Å |
| 466 | L | 98.5 | Very high | 97.8 | Very high | 56 Ų | 56 | 50.2 Ų | 50.2 | 29% | 0.293 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 173.1 | -174.3 | 58.9 | 0 | 0 | 0 | 111.1 | F354 S357 G462 L463 V464 V468 A469 V470 | F354-L466 HydrophobicContact CD2-CD1 4.01Å; F354-L466 HydrophobicContact CE2-CD1 4.05Å; S357-L466 WeakPolarHBondContact OG-CB 3.33Å; S357-L466 PolarHBondContact OG-N 3.14Å; G462-L466 WeakPolarHBondContact O-CB 3.39Å; G462-L466 PolarHBondContact O-N 2.94Å; L463-L466 WeakPolarHBondContact O-CB 3.46Å; L463-L466 PolarHBondContact O-N 3.45Å; V464-L466 VanDerWaalsContact C-N 3.32Å; V464-L466 PolarHBondContact O-N 3.09Å; L466-V468 PolarHBondContact O-N 3.19Å; L466-A469 PolarHBondContact O-N 3.41Å; L466-V470 WeakPolarHBondContact O-CG2 3.49Å; L466-V470 PolarHBondContact O-N 3.28Å |
| 467 | G | 98.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L463 V464 T465 A469 V470 V471 | L463-G467 PolarHBondContact O-N 2.89Å; V464-G467 WeakPolarHBondContact O-CA 3.5Å; V464-G467 PolarHBondContact O-N 3.06Å; V464-G467 VanDerWaalsContact O-N 3.13Å; T465-G467 VanDerWaalsContact C-N 3.31Å; T465-G467 PolarHBondContact O-N 3.33Å; G467-A469 PolarHBondContact O-N 3.06Å; G467-V470 PolarHBondContact O-N 3.35Å; G467-V471 WeakPolarHBondContact O-CG2 3.49Å; G467-V471 PolarHBondContact O-N 3.4Å |
| 468 | V | 97.8 | Very high | 97.5 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 174.7 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | M353 V464 T465 L466 V470 V471 M472 | M353-V468 HydrophobicContact CG-CG1 4.37Å; M353-V468 HydrophobicContact SD-CG1 4.06Å; V464-V468 PolarHBondContact O-N 3.17Å; T465-V468 PolarHBondContact O-N 3.21Å; L466-V468 PolarHBondContact O-N 3.19Å; V468-V470 PolarHBondContact O-N 3.33Å; V468-V471 PolarHBondContact O-N 2.83Å; V468-M472 HydrophobicContact CG1-CG 4.44Å; V468-M472 WeakPolarHBondContact O-CB 3.44Å; V468-M472 WeakPolarHBondContact O-CG 3.36Å; V468-M472 PolarHBondContact O-N 3.41Å |
| 469 | A | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M353 F354 T465 L466 G467 M472 L473 | M353-A469 HydrophobicContact CB-CB 3.85Å; F354-A469 HydrophobicContact CB-CB 4.25Å; T465-A469 PolarHBondContact O-N 3.29Å; L466-A469 PolarHBondContact O-N 3.41Å; G467-A469 PolarHBondContact O-N 3.06Å; A469-M472 PolarHBondContact O-N 3.41Å; A469-L473 WeakPolarHBondContact O-CB 3.5Å; A469-L473 PolarHBondContact O-N 2.92Å |
| 470 | V | 98.3 | Very high | 97 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | L466 G467 V468 M472 L473 L474 | L466-V470 WeakPolarHBondContact O-CG2 3.49Å; L466-V470 PolarHBondContact O-N 3.28Å; G467-V470 PolarHBondContact O-N 3.35Å; V468-V470 PolarHBondContact O-N 3.33Å; V470-M472 VanDerWaalsContact C-N 3.31Å; V470-M472 PolarHBondContact O-N 2.95Å; V470-L473 WeakPolarHBondContact O-CB 3.35Å; V470-L473 PolarHBondContact O-N 3.31Å; V470-L474 HydrophobicContact CG1-CD1 4.37Å; V470-L474 WeakPolarHBondContact O-CG 3.37Å; V470-L474 PolarHBondContact O-N 2.93Å |
| 471 | V | 97.9 | Very high | 96.7 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | G467 V468 L473 L474 M475 | G467-V471 WeakPolarHBondContact O-CG2 3.49Å; G467-V471 PolarHBondContact O-N 3.4Å; V468-V471 PolarHBondContact O-N 2.83Å; V471-L473 PolarHBondContact O-N 3.3Å; V471-L474 PolarHBondContact O-N 2.82Å; V471-M475 HydrophobicContact CG1-SD 4.05Å; V471-M475 WeakPolarHBondContact O-CG 3.45Å; V471-M475 PolarHBondContact O-N 3.42Å |
| 472 | M | 96.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 5% | 0.054 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.6 | -75.4 | -55.7 | -51.6 | 0 | 0 | 112.2 | V273 L274 E277 T350 V468 A469 V470 L474 M475 V476 L479 | V273-M472 HydrophobicContact CG1-CE 4.08Å; V273-M472 HydrophobicContact CG1-SD 4.06Å; L274-M472 HydrophobicContact CD2-CE 4.38Å; E277-M472 HydrophobicContact CG-CG 4.45Å; E277-M472 WeakPolarHBondContact OE2-CE 3.3Å; T350-M472 HydrophobicContact CG2-CB 4.39Å; V468-M472 HydrophobicContact CG1-CG 4.44Å; V468-M472 WeakPolarHBondContact O-CB 3.44Å; V468-M472 WeakPolarHBondContact O-CG 3.36Å; V468-M472 PolarHBondContact O-N 3.41Å; A469-M472 PolarHBondContact O-N 3.41Å; V470-M472 VanDerWaalsContact C-N 3.31Å; V470-M472 PolarHBondContact O-N 2.95Å; M472-L474 VanDerWaalsContact C-N 3.29Å; M472-L474 PolarHBondContact O-N 2.92Å; M472-M475 CarbonylContact O-C 3.58Å; M472-M475 WeakPolarHBondContact O-CA 3.35Å; M472-M475 WeakPolarHBondContact O-CB 3.47Å; M472-M475 PolarHBondContact O-N 2.88Å; M472-M475 HydrophobicContact SD-SD 4.3Å; M472-V476 WeakPolarHBondContact O-CG2 3.35Å; M472-V476 PolarHBondContact O-N 3.44Å; M472-L479 HydrophobicContact CE-CD1 3.79Å |
| 473 | L | 97.4 | Very high | 95.9 | Very high | 89 Ų | 89 | 66 Ų | 66 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 175.9 | -175.8 | 63.1 | 0 | 0 | 0 | 112 | M347 T350 A469 V470 V471 M475 V476 | M347-L473 HydrophobicContact CE-CD1 3.98Å; M347-L473 HydrophobicContact SD-CD1 4.26Å; T350-L473 HydrophobicContact CG2-CB 3.73Å; T350-L473 HydrophobicContact CG2-CD1 4.04Å; T350-L473 HydrophobicContact CG2-CG 4.47Å; A469-L473 WeakPolarHBondContact O-CB 3.5Å; A469-L473 PolarHBondContact O-N 2.92Å; V470-L473 WeakPolarHBondContact O-CB 3.35Å; V470-L473 PolarHBondContact O-N 3.31Å; V471-L473 PolarHBondContact O-N 3.3Å; L473-M475 VanDerWaalsContact C-N 3.32Å; L473-M475 PolarHBondContact O-N 3.13Å; L473-V476 PolarHBondContact O-N 3.2Å |
| 474 | L | 97.6 | Very high | 95.1 | Very high | 133 Ų | 133 | 62.3 Ų | 62.3 | 70% | 0.696 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.1 | -30.8 | 176.2 | -64.6 | 174.5 | 0 | 0 | 0 | 112.5 | V470 V471 M472 P477 | V470-L474 HydrophobicContact CG1-CD1 4.37Å; V470-L474 WeakPolarHBondContact O-CG 3.37Å; V470-L474 PolarHBondContact O-N 2.93Å; V471-L474 PolarHBondContact O-N 2.82Å; M472-L474 VanDerWaalsContact C-N 3.29Å; M472-L474 PolarHBondContact O-N 2.92Å; L474-P477 WeakPolarHBondContact O-CD 3.04Å |
| 475 | M | 96.4 | Very high | 93.5 | Very high | 54 Ų | 54 | 60 Ų | 60 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.2 | -21.6 | 176.6 | -69.4 | 179.5 | 68.7 | 0 | 0 | 113.6 | V273 V471 M472 L473 W478 L479 | V273-M475 HydrophobicContact CG1-CE 3.97Å; V273-M475 HydrophobicContact CG2-CE 4.42Å; V471-M475 HydrophobicContact CG1-SD 4.05Å; V471-M475 WeakPolarHBondContact O-CG 3.45Å; V471-M475 PolarHBondContact O-N 3.42Å; M472-M475 CarbonylContact O-C 3.58Å; M472-M475 WeakPolarHBondContact O-CA 3.35Å; M472-M475 WeakPolarHBondContact O-CB 3.47Å; M472-M475 PolarHBondContact O-N 2.88Å; M472-M475 HydrophobicContact SD-SD 4.3Å; L473-M475 VanDerWaalsContact C-N 3.32Å; L473-M475 PolarHBondContact O-N 3.13Å; M475-W478 HydrophobicContact CE-CE3 4.25Å; M475-W478 HydrophobicContact CE-CZ3 3.99Å; M475-W478 WeakPolarHBondContact O-CB 3.34Å; M475-W478 PolarHBondContact O-N 2.71Å; M475-L479 HydrophobicContact CB-CD1 4.06Å; M475-L479 HydrophobicContact CB-CG 4.29Å; M475-L479 HydrophobicContact CE-CD2 4.45Å; M475-L479 WeakPolarHBondContact O-CG 3.22Å; M475-L479 PolarHBondContact O-N 3.07Å |
| 476 | V | 95.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -50.1 | -50.2 | -176.1 | 171.1 | 0 | 0 | 0 | 0 | 113.2 | P346 M347 T350 M472 L473 W478 L479 K480 | P346-V476 HydrophobicContact CB-CG2 4.17Å; M347-V476 HydrophobicContact CB-CG1 4.3Å; M347-V476 HydrophobicContact CE-CG1 4.02Å; M347-V476 HydrophobicContact CE-CG2 4.4Å; T350-V476 WeakPolarHBondContact OG1-CG2 3.36Å; M472-V476 WeakPolarHBondContact O-CG2 3.35Å; M472-V476 PolarHBondContact O-N 3.44Å; L473-V476 PolarHBondContact O-N 3.2Å; V476-W478 VanDerWaalsContact C-N 3.27Å; V476-W478 PolarHBondContact O-N 3.22Å; V476-L479 PolarHBondContact O-N 2.66Å; V476-K480 HydrophobicContact CG1-CD 3.88Å; V476-K480 HydrophobicContact CG1-CG 4.16Å; V476-K480 WeakPolarHBondContact O-CB 3.31Å; V476-K480 VanDerWaalsContact O-CG 3.31Å; V476-K480 WeakPolarHBondContact O-CG 3.25Å; V476-K480 PolarHBondContact O-N 3.29Å |
| 477 | P | 94.6 | Very high | 89 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | -179.1 | -22.9 | 34.5 | 0 | 0 | 0 | 112.8 | L474 R481 | L474-P477 WeakPolarHBondContact O-CD 3.04Å; P477-R481 WeakPolarHBondContact O-CG 3.46Å; P477-R481 PolarHBondContact O-N 2.82Å |
| 478 | W | 94 | Very high | 86.6 | Confident | 140 Ų | 140 | 72.7 Ų | 72.7 | 53% | 0.53 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.6 | -47.3 | 178.5 | 177.9 | 77 | 0 | 0 | 0 | 111.6 | M475 V476 K480 R481 M482 | M475-W478 HydrophobicContact CE-CE3 4.25Å; M475-W478 HydrophobicContact CE-CZ3 3.99Å; M475-W478 WeakPolarHBondContact O-CB 3.34Å; M475-W478 PolarHBondContact O-N 2.71Å; V476-W478 VanDerWaalsContact C-N 3.27Å; V476-W478 PolarHBondContact O-N 3.22Å; W478-K480 VanDerWaalsContact C-N 3.31Å; W478-K480 PolarHBondContact O-N 2.89Å; W478-R481 PolarHBondContact O-N 3.01Å; W478-M482 HydrophobicContact CD2-SD 3.86Å; W478-M482 VanDerWaalsContact CE2-SD 3.52Å; W478-M482 HydrophobicContact CE3-SD 3.9Å; W478-M482 HydrophobicContact CH2-CE 4.21Å; W478-M482 HydrophobicContact CH2-SD 3.32Å; W478-M482 WeakPolarHBondContact CH2-SD 3.44Å; W478-M482 HydrophobicContact CZ2-CE 4.23Å; W478-M482 HydrophobicContact CZ2-CG 4.49Å; W478-M482 HydrophobicContact CZ2-SD 3.26Å; W478-M482 WeakPolarHBondContact CZ2-SD 3.46Å; W478-M482 HydrophobicContact CZ3-SD 3.65Å; W478-M482 WeakPolarHBondContact O-CG 3.44Å; W478-M482 PolarHBondContact O-N 3Å; W478-M482 VanDerWaalsContact O-N 3.07Å |
| 479 | L | 94.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 177 | -64.4 | 173.3 | 0 | 0 | 0 | 111.6 | V270 V273 P346 M472 M475 V476 R481 M482 I483 | V270-L479 HydrophobicContact CB-CD2 4.43Å; V270-L479 HydrophobicContact CG1-CB 4.38Å; V270-L479 HydrophobicContact CG1-CD2 4.24Å; V270-L479 HydrophobicContact CG2-CB 4.44Å; V270-L479 HydrophobicContact CG2-CD2 3.9Å; V273-L479 HydrophobicContact CB-CD2 4.44Å; V273-L479 HydrophobicContact CG1-CD1 4.2Å; V273-L479 HydrophobicContact CG1-CD2 4.38Å; V273-L479 HydrophobicContact CG2-CD2 4.45Å; P346-L479 HydrophobicContact CB-CB 4.16Å; P346-L479 HydrophobicContact CB-CD1 3.93Å; P346-L479 HydrophobicContact CG-CB 3.81Å; P346-L479 HydrophobicContact CG-CD1 4.25Å; M472-L479 HydrophobicContact CE-CD1 3.79Å; M475-L479 HydrophobicContact CB-CD1 4.06Å; M475-L479 HydrophobicContact CB-CG 4.29Å; M475-L479 HydrophobicContact CE-CD2 4.45Å; M475-L479 WeakPolarHBondContact O-CG 3.22Å; M475-L479 PolarHBondContact O-N 3.07Å; V476-L479 PolarHBondContact O-N 2.66Å; L479-R481 PolarHBondContact O-N 2.89Å; L479-M482 WeakPolarHBondContact O-CB 3.27Å; L479-M482 PolarHBondContact O-N 3.1Å; L479-I483 WeakPolarHBondContact O-CG1 3.24Å; L479-I483 PolarHBondContact O-N 3.48Å |
| 480 | K | 92.5 | Very high | 83.1 | Confident | 100 Ų | 100 | 84.9 Ų | 84.9 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 174.8 | -74.3 | -177 | 77 | 171 | 0 | 112.2 | S344 V476 W478 M482 I483 A484 | S344-K480 WeakPolarHBondContact OG-CD 3.37Å; V476-K480 HydrophobicContact CG1-CD 3.88Å; V476-K480 HydrophobicContact CG1-CG 4.16Å; V476-K480 WeakPolarHBondContact O-CB 3.31Å; V476-K480 VanDerWaalsContact O-CG 3.31Å; V476-K480 WeakPolarHBondContact O-CG 3.25Å; V476-K480 PolarHBondContact O-N 3.29Å; W478-K480 VanDerWaalsContact C-N 3.31Å; W478-K480 PolarHBondContact O-N 2.89Å; K480-M482 VanDerWaalsContact C-N 3.25Å; K480-M482 PolarHBondContact O-N 3.07Å; K480-I483 PolarHBondContact O-N 3.3Å; K480-A484 PolarHBondContact O-N 3.47Å |
| 481 | R | 91.7 | Very high | 82.3 | Confident | 200 Ų | 200 | 85.5 Ų | 85.5 | 76% | 0.755 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.4 | -31.3 | 176.9 | -73.2 | 175.5 | -176.1 | 179.4 | 2.1 | 112.5 | P477 W478 L479 | P477-R481 WeakPolarHBondContact O-CG 3.46Å; P477-R481 PolarHBondContact O-N 2.82Å; W478-R481 PolarHBondContact O-N 3.01Å; L479-R481 PolarHBondContact O-N 2.89Å |
| 482 | M | 90.6 | Very high | 81.4 | Confident | 19 Ų | 19 | 85.7 Ų | 85.7 | 9% | 0.094 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -71.8 | -33 | 176.3 | -72.8 | -176.1 | 74.5 | 0 | 0 | 113.4 | N266 F269 V270 W478 L479 K480 | N266-M482 HydrophobicContact CB-CB 4.14Å; N266-M482 HydrophobicContact CB-CE 3.91Å; N266-M482 WeakPolarHBondContact CB-O 3.4Å; F269-M482 HydrophobicContact CB-CE 3.76Å; F269-M482 HydrophobicContact CD2-CE 4.23Å; F269-M482 HydrophobicContact CG-CE 4.38Å; V270-M482 HydrophobicContact CG2-CB 3.75Å; V270-M482 HydrophobicContact CG2-CE 4.45Å; V270-M482 HydrophobicContact CG2-SD 4.22Å; W478-M482 HydrophobicContact CD2-SD 3.86Å; W478-M482 VanDerWaalsContact CE2-SD 3.52Å; W478-M482 HydrophobicContact CE3-SD 3.9Å; W478-M482 HydrophobicContact CH2-CE 4.21Å; W478-M482 HydrophobicContact CH2-SD 3.32Å; W478-M482 WeakPolarHBondContact CH2-SD 3.44Å; W478-M482 HydrophobicContact CZ2-CE 4.23Å; W478-M482 HydrophobicContact CZ2-CG 4.49Å; W478-M482 HydrophobicContact CZ2-SD 3.26Å; W478-M482 WeakPolarHBondContact CZ2-SD 3.46Å; W478-M482 HydrophobicContact CZ3-SD 3.65Å; W478-M482 WeakPolarHBondContact O-CG 3.44Å; W478-M482 PolarHBondContact O-N 3Å; W478-M482 VanDerWaalsContact O-N 3.07Å; L479-M482 WeakPolarHBondContact O-CB 3.27Å; L479-M482 PolarHBondContact O-N 3.1Å; K480-M482 VanDerWaalsContact C-N 3.25Å; K480-M482 PolarHBondContact O-N 3.07Å |
| 483 | I | 88.3 | Confident | 80.5 | Confident | 47 Ų | 47 | 90.1 Ų | 90.1 | 24% | 0.241 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -76.5 | -35.9 | 176.9 | -60.6 | 167.3 | 0 | 0 | 0 | 111.1 | V270 P346 L407 L479 K480 T485 | V270-I483 HydrophobicContact CB-CG1 4.31Å; V270-I483 HydrophobicContact CG1-CD1 3.91Å; V270-I483 HydrophobicContact CG1-CG1 4.06Å; V270-I483 HydrophobicContact CG2-CG1 4.07Å; P346-I483 HydrophobicContact CG-CD1 4.23Å; L407-I483 HydrophobicContact CD2-CD1 4.25Å; L407-I483 HydrophobicContact CD2-CG1 4.08Å; L407-I483 HydrophobicContact CD2-CG2 4.17Å; L479-I483 WeakPolarHBondContact O-CG1 3.24Å; L479-I483 PolarHBondContact O-N 3.48Å; K480-I483 PolarHBondContact O-N 3.3Å; I483-T485 PolarHBondContact O-N 2.81Å |
| 484 | A | 81.2 | Confident | 79.5 | Confident | 36 Ų | 36 | 90.1 Ų | 90.1 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | trans | -56.9 | 127.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | K480 S488 | K480-A484 PolarHBondContact O-N 3.47Å; A484-S488 WeakPolarHBondContact CA-OG 3.3Å; A484-S488 WeakPolarHBondContact CB-OG 3.48Å | ||
| 485 | T | 65.7 | Low | 78.3 | Confident | 54 Ų | 54 | 87.3 Ų | 87.3 | 33% | 0.331 | 44% | 0.435 | S | S | . | . | trans | -86.5 | 158.3 | 169.2 | 37.6 | 0 | 0 | 0 | 0 | 110.4 | T263 I483 E487 S488 | T263-T485 HydrophobicContact CG2-CG2 3.71Å; I483-T485 PolarHBondContact O-N 2.81Å; T485-E487 PolarHBondContact O-N 3.43Å; T485-S488 PolarHBondContact N-OG 2.87Å; T485-S488 WeakPolarHBondContact O-CB 3.46Å; T485-S488 PolarHBondContact O-N 2.9Å; T485-S488 PolarHBondContact O-OG 3.25Å | ||
| 486 | P | 55.2 | Low | 77 | Confident | 116 Ų | 116 | 89.6 Ų | 89.6 | 75% | 0.753 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -52.9 | -25.9 | 177.6 | -26.1 | 34 | 0 | 0 | 0 | 114.6 | S488 | P486-S488 VanDerWaalsContact C-N 3.31Å; P486-S488 PolarHBondContact O-N 2.93Å |
| 487 | E | 47.3 | Very low | 75.5 | Confident | 182 Ų | 182 | 96.1 Ų | 96.1 | 85% | 0.85 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -82.6 | 2.7 | 177 | -62.8 | 178.4 | 169 | 0 | 0 | 114.5 | T485 | T485-E487 PolarHBondContact O-N 3.43Š|
| 488 | S | 48.1 | Very low | 73.9 | Confident | 66 Ų | 66 | 97.9 Ų | 97.9 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -102.4 | 9.1 | -178.4 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | A484 T485 P486 | A484-S488 WeakPolarHBondContact CA-OG 3.3Å; A484-S488 WeakPolarHBondContact CB-OG 3.48Å; T485-S488 PolarHBondContact N-OG 2.87Å; T485-S488 WeakPolarHBondContact O-CB 3.46Å; T485-S488 PolarHBondContact O-N 2.9Å; T485-S488 PolarHBondContact O-OG 3.25Å; P486-S488 VanDerWaalsContact C-N 3.31Å; P486-S488 PolarHBondContact O-N 2.93Å |
| 489 | H | 38 | Very low | 72.1 | Confident | 215 Ų | 215 | 94.1 Ų | 94.1 | 100% | 0.995 | 47% | 0.474 | S | S | * | . | trans | -109.1 | 0 | 165.6 | -70.7 | -56.8 | 0 | 0 | 0 | 109 |
Retrieved 489 of 489 residues in 760.8 ms
(Link to these results)