| 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 | 34.3 | Very low | 36.3 | Very low | 245 Ų | 245 | 153.5 Ų | 153.5 | 100% | 1.207 | 80% | 0.8 | S | S | * | * | 0 | 103 | 0 | -78.9 | 175.9 | -176.1 | 0 | 0 | 106.8 | |||||
| 2 | T | 37.7 | Very low | 37.5 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | -85.4 | 113.9 | 175.6 | 37 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | L | 31 | Very low | 39.2 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | trans | -160.9 | 133.2 | 169.6 | -71 | 174.1 | 0 | 0 | 0 | 104.4 | ||||
| 4 | D | 27.9 | Very low | 40.8 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | cis | -163.4 | 126.9 | 7.6 | -147.9 | -8 | 0 | 0 | 0 | 104.2 | G6 | D4-G6 PolarHBondContact O-N 3.42Š| ||
| 5 | V | 29.5 | Very low | 42.5 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 93% | 0.933 | 68% | 0.684 | S | S | * | * | trans | -86.4 | 93.7 | 178.3 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 6 | G | 30.6 | Very low | 44.4 | Very low | 56 Ų | 56 | 124.6 Ų | 124.6 | 58% | 0.577 | 64% | 0.642 | S | S | * | * | trans | -74.2 | 139.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D4 E8 | D4-G6 PolarHBondContact O-N 3.42Å; G6-E8 PolarHBondContact O-N 2.98Å | ||
| 7 | R | 37.7 | Very low | 46.5 | Very low | 247 Ų | 247 | 118.4 Ų | 118.4 | 93% | 0.932 | 61% | 0.614 | S | S | * | * | trans | -42.3 | 94.5 | 169 | -75.7 | 170.9 | 161.4 | 159 | -8.1 | 112.5 | ||||
| 8 | E | 40.5 | Very low | 48.6 | Very low | 173 Ų | 173 | 117.7 Ų | 117.7 | 81% | 0.808 | 61% | 0.605 | S | S | * | * | trans | -131.4 | 111.2 | 161.3 | -73.1 | -173.5 | 164.4 | 0 | 0 | 105.8 | G6 | G6-E8 PolarHBondContact O-N 2.98Š| ||
| 9 | D | 36.9 | Very low | 50.7 | Low | 167 Ų | 167 | 115.8 Ų | 115.8 | 89% | 0.893 | 59% | 0.593 | S | S | * | * | trans | 169.7 | 17.7 | 157.1 | -84.4 | -17.5 | 0 | 0 | 0 | 112.9 | L11 | D9-L11 PolarHBondContact O-N 2.7Š| ||
| 10 | E | 48.3 | Very low | 52.8 | Low | 146 Ų | 146 | 110 Ų | 110 | 68% | 0.682 | 56% | 0.563 | S | S | * | * | trans | -82.9 | 103.8 | 168.1 | -73.1 | -175.4 | -166.6 | 0 | 0 | 109.9 | ||||
| 11 | L | 44.4 | Very low | 54.7 | Low | 55 Ų | 55 | 109.7 Ų | 109.7 | 29% | 0.288 | 56% | 0.556 | S | S | . | * | trans | -60.6 | 133.5 | 171.6 | -74 | 165.4 | 0 | 0 | 0 | 109.3 | D9 A15 A16 P100 | D9-L11 PolarHBondContact O-N 2.7Å; L11-A15 HydrophobicContact CB-CB 4.27Å; L11-A15 HydrophobicContact CD2-CB 4.13Å; L11-A16 HydrophobicContact CB-CB 4.02Å; L11-A16 HydrophobicContact CD1-CB 4.12Å; L11-P100 VanDerWaalsContact O-CD 3.27Å; L11-P100 WeakPolarHBondContact O-CD 3.35Å | ||
| 12 | P | 51.2 | Low | 57.5 | Low | 62 Ų | 62 | 103.9 Ų | 103.9 | 40% | 0.403 | 53% | 0.526 | S | S | . | . | trans | -50.3 | 147.9 | 169.3 | -24.5 | 29.5 | 0 | 0 | 0 | 111.2 | W14 A15 A16 | P12-W14 HydrophobicContact CB-CG 4.26Å; P12-W14 VanDerWaalsContact CB-NE1 3.28Å; P12-W14 HydrophobicContact CG-CZ2 4.5Å; P12-W14 PolarHBondContact O-N 2.97Å; P12-A15 HydrophobicContact CB-CB 4.04Å; P12-A15 HydrophobicContact CG-CB 4.08Å; P12-A15 WeakPolarHBondContact O-CA 3.15Å; P12-A15 WeakPolarHBondContact O-CB 3.11Å; P12-A15 PolarHBondContact O-N 3.01Å; P12-A16 PolarHBondContact O-N 2.77Å | ||
| 13 | D | 59.6 | Low | 60.3 | Low | 62 Ų | 62 | 100.6 Ų | 100.6 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -50.3 | -37.8 | 179.6 | -76.1 | -27.5 | 0 | 0 | 0 | 113.5 | A17 S99 P100 S101 | D13-A17 VanDerWaalsContact O-CB 3.3Å; D13-A17 WeakPolarHBondContact O-CB 3.34Å; D13-A17 PolarHBondContact O-N 3.25Å; D13-S99 WeakPolarHBondContact OD1-CB 3.34Å; D13-S99 PolarHBondContact OD1-OG 2.99Å; D13-P100 WeakPolarHBondContact OD1-CD 3.47Å; D13-S101 VanDerWaalsContact CG-OG 3.22Å; D13-S101 WeakPolarHBondContact OD1-CB 3.3Å; D13-S101 PolarHBondContact OD1-N 3.1Å; D13-S101 PolarHBondContact OD1-OG 2.73Å; D13-S101 WeakPolarHBondContact OD2-CB 3.32Å; D13-S101 PolarHBondContact OD2-OG 2.68Å |
| 14 | W | 61.2 | Low | 63.4 | Low | 169 Ų | 169 | 93.1 Ų | 93.1 | 64% | 0.64 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72.8 | -28.1 | 175.9 | 69 | -93.1 | 0 | 0 | 0 | 113.1 | P12 K18 | P12-W14 HydrophobicContact CB-CG 4.26Å; P12-W14 VanDerWaalsContact CB-NE1 3.28Å; P12-W14 HydrophobicContact CG-CZ2 4.5Å; P12-W14 PolarHBondContact O-N 2.97Å; W14-K18 HydrophobicContact CE3-CD 3.94Å; W14-K18 HydrophobicContact CZ3-CD 3.71Å; W14-K18 WeakPolarHBondContact O-CB 3.06Å; W14-K18 PolarHBondContact O-N 3.35Å |
| 15 | A | 66.6 | Low | 66.6 | Low | 11 Ų | 11 | 88.5 Ų | 88.5 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -77.2 | -49 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L11 P12 A17 K18 E19 | L11-A15 HydrophobicContact CB-CB 4.27Å; L11-A15 HydrophobicContact CD2-CB 4.13Å; P12-A15 HydrophobicContact CB-CB 4.04Å; P12-A15 HydrophobicContact CG-CB 4.08Å; P12-A15 WeakPolarHBondContact O-CA 3.15Å; P12-A15 WeakPolarHBondContact O-CB 3.11Å; P12-A15 PolarHBondContact O-N 3.01Å; A15-A17 PolarHBondContact O-N 3.42Å; A15-K18 CarbonylContact O-C 3.59Å; A15-K18 WeakPolarHBondContact O-CB 3.46Å; A15-K18 PolarHBondContact O-N 2.71Å; A15-K18 VanDerWaalsContact O-N 3.14Å; A15-E19 WeakPolarHBondContact O-CG 3.13Å; A15-E19 PolarHBondContact O-N 3.46Å |
| 16 | A | 73.3 | Confident | 69.7 | Low | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L11 P12 K18 E19 F20 E98 | L11-A16 HydrophobicContact CB-CB 4.02Å; L11-A16 HydrophobicContact CD1-CB 4.12Å; P12-A16 PolarHBondContact O-N 2.77Å; A16-K18 VanDerWaalsContact C-N 3.32Å; A16-K18 PolarHBondContact O-N 3.49Å; A16-E19 PolarHBondContact O-N 2.73Å; A16-F20 PolarHBondContact O-N 3.48Å; A16-E98 WeakPolarHBondContact CB-O 3.32Å |
| 17 | A | 79.1 | Confident | 72.7 | Confident | 20 Ų | 20 | 83 Ų | 83 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D13 A15 E19 F20 Y21 F104 | D13-A17 VanDerWaalsContact O-CB 3.3Å; D13-A17 WeakPolarHBondContact O-CB 3.34Å; D13-A17 PolarHBondContact O-N 3.25Å; A15-A17 PolarHBondContact O-N 3.42Å; A17-E19 PolarHBondContact O-N 3.12Å; A17-F20 PolarHBondContact O-N 2.77Å; A17-Y21 HydrophobicContact CB-CD2 4.25Å; A17-Y21 HydrophobicContact CB-CE2 4.15Å; A17-Y21 WeakPolarHBondContact O-CB 2.98Å; A17-Y21 WeakPolarHBondContact O-CD2 3.06Å; A17-Y21 PolarHBondContact O-N 3.46Å; A17-F104 HydrophobicContact CB-CE2 4.42Å; A17-F104 HydrophobicContact CB-CZ 4.38Å |
| 18 | K | 85.1 | Confident | 75.2 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 178.9 | 178.3 | -177.1 | -179.7 | -173.7 | 0 | 112.2 | W14 A15 A16 Y21 Q22 | W14-K18 HydrophobicContact CE3-CD 3.94Å; W14-K18 HydrophobicContact CZ3-CD 3.71Å; W14-K18 WeakPolarHBondContact O-CB 3.06Å; W14-K18 PolarHBondContact O-N 3.35Å; A15-K18 CarbonylContact O-C 3.59Å; A15-K18 WeakPolarHBondContact O-CB 3.46Å; A15-K18 PolarHBondContact O-N 2.71Å; A15-K18 VanDerWaalsContact O-N 3.14Å; A16-K18 VanDerWaalsContact C-N 3.32Å; A16-K18 PolarHBondContact O-N 3.49Å; K18-Y21 PolarHBondContact O-N 2.9Å; K18-Q22 HydrophobicContact CG-CG 4.26Å; K18-Q22 VanDerWaalsContact O-CB 3.24Å; K18-Q22 WeakPolarHBondContact O-CB 3.24Å; K18-Q22 WeakPolarHBondContact O-CG 3.36Å; K18-Q22 PolarHBondContact O-N 2.9Å |
| 19 | E | 88.9 | Confident | 77.7 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 177.4 | -74.3 | -176.4 | -176.6 | 0 | 0 | 111.5 | A15 A16 A17 Q22 K23 Y97 | A15-E19 WeakPolarHBondContact O-CG 3.13Å; A15-E19 PolarHBondContact O-N 3.46Å; A16-E19 PolarHBondContact O-N 2.73Å; A17-E19 PolarHBondContact O-N 3.12Å; E19-Q22 PolarHBondContact O-N 2.73Å; E19-K23 PolarHBondContact O-N 3.39Å; E19-Y97 HydrophobicContact CB-CD1 3.78Å; E19-Y97 HydrophobicContact CB-CE1 3.79Å |
| 20 | F | 92.7 | Very high | 80.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.6 | -52.8 | 173.8 | 171.6 | -99.3 | 0 | 0 | 0 | 111.4 | A16 A17 Q22 K23 Y24 P26 V52 Y97 F104 V106 | A16-F20 PolarHBondContact O-N 3.48Å; A17-F20 PolarHBondContact O-N 2.77Å; F20-Q22 VanDerWaalsContact C-N 3.26Å; F20-Q22 PolarHBondContact O-N 3.01Å; F20-K23 PolarHBondContact O-N 3.36Å; F20-Y24 AromaticContact CD2-CD2 3.91Å; F20-Y24 HydrophobicContact CD2-CD2 3.91Å; F20-Y24 HydrophobicContact CD2-CG 4.35Å; F20-Y24 AromaticContact CE2-CD2 3.96Å; F20-Y24 HydrophobicContact CE2-CD2 3.96Å; F20-Y24 AromaticContact CE2-CG 3.97Å; F20-Y24 HydrophobicContact CE2-CG 3.97Å; F20-Y24 WeakPolarHBondContact O-CA 3.45Å; F20-Y24 WeakPolarHBondContact O-CB 3.32Å; F20-Y24 PolarHBondContact O-N 3.06Å; F20-P26 HydrophobicContact CE1-CB 4.46Å; F20-P26 HydrophobicContact CE1-CG 4.14Å; F20-V52 HydrophobicContact CD2-CG2 4.41Å; F20-V52 HydrophobicContact CE2-CB 4.04Å; F20-V52 HydrophobicContact CE2-CG1 4.3Å; F20-V52 HydrophobicContact CE2-CG2 3.63Å; F20-V52 HydrophobicContact CZ-CB 4.11Å; F20-V52 HydrophobicContact CZ-CG1 3.85Å; F20-V52 HydrophobicContact CZ-CG2 3.88Å; F20-Y97 HydrophobicContact CB-CD2 3.83Å; F20-Y97 HydrophobicContact CB-CE2 4.23Å; F20-Y97 HydrophobicContact CB-CG 4.01Å; F20-Y97 AromaticContact CD2-CD2 3.91Å; F20-Y97 HydrophobicContact CD2-CD2 3.91Å; F20-Y97 AromaticContact CD2-CE2 4Å; F20-Y97 HydrophobicContact CD2-CE2 4Å; F20-Y97 HydrophobicContact CG-CD2 4.35Å; F20-F104 HydrophobicContact CB-CD1 4.37Å; F20-F104 HydrophobicContact CB-CG 4.25Å; F20-F104 AromaticContact CD1-CD1 3.67Å; F20-F104 HydrophobicContact CD1-CD1 3.67Å; F20-F104 AromaticContact CD1-CE1 3.85Å; F20-F104 HydrophobicContact CD1-CE1 3.85Å; F20-F104 HydrophobicContact CD1-CG 4.36Å; F20-F104 HydrophobicContact CD2-CB 4.07Å; F20-F104 HydrophobicContact CD2-CD1 4.17Å; F20-F104 HydrophobicContact CD2-CG 4.31Å; F20-F104 HydrophobicContact CE1-CD1 4.01Å; F20-F104 HydrophobicContact CE1-CE1 4.25Å; F20-F104 HydrophobicContact CE2-CD1 4.48Å; F20-F104 HydrophobicContact CG-CB 4.25Å; F20-F104 AromaticContact CG-CD1 3.77Å; F20-F104 HydrophobicContact CG-CD1 3.77Å; F20-F104 HydrophobicContact CG-CE1 4.32Å; F20-F104 HydrophobicContact CG-CG 4.01Å; F20-F104 HydrophobicContact CZ-CD1 4.42Å; F20-V106 HydrophobicContact CD2-CG2 4.39Å; F20-V106 HydrophobicContact CE2-CG2 4.15Å |
| 21 | Y | 92.1 | Very high | 81.7 | Confident | 104 Ų | 104 | 59.4 Ų | 59.4 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.8 | -24 | -177.9 | -72.9 | -64.6 | 0 | 0 | 0 | 113.6 | A17 K18 Y24 P26 R44 | A17-Y21 HydrophobicContact CB-CD2 4.25Å; A17-Y21 HydrophobicContact CB-CE2 4.15Å; A17-Y21 WeakPolarHBondContact O-CB 2.98Å; A17-Y21 WeakPolarHBondContact O-CD2 3.06Å; A17-Y21 PolarHBondContact O-N 3.46Å; K18-Y21 PolarHBondContact O-N 2.9Å; Y21-Y24 CarbonylContact C-O 3.57Å; Y21-Y24 VanDerWaalsContact O-O 3.12Å; Y21-P26 HydrophobicContact CD1-CG 4.1Å; Y21-P26 HydrophobicContact CE1-CG 3.68Å; Y21-R44 PolarHBondContact O-NE 3.23Å; Y21-R44 PolarHBondContact O-NH2 2.79Å |
| 22 | Q | 93.8 | Very high | 83.4 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -73.2 | -37.6 | 173 | -81 | 179.5 | -2.7 | 0 | 0 | 112.3 | K18 E19 F20 R44 | K18-Q22 HydrophobicContact CG-CG 4.26Å; K18-Q22 VanDerWaalsContact O-CB 3.24Å; K18-Q22 WeakPolarHBondContact O-CB 3.24Å; K18-Q22 WeakPolarHBondContact O-CG 3.36Å; K18-Q22 PolarHBondContact O-N 2.9Å; E19-Q22 PolarHBondContact O-N 2.73Å; F20-Q22 VanDerWaalsContact C-N 3.26Å; F20-Q22 PolarHBondContact O-N 3.01Å; Q22-R44 WeakPolarHBondContact O-CD 3.49Å |
| 23 | K | 95.8 | Very high | 84.3 | Confident | 72 Ų | 72 | 65.4 Ų | 65.4 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -90.2 | -34.6 | -178.4 | -164.6 | 179.7 | -177.7 | -174.4 | 0 | 112.7 | E19 F20 H43 R44 D95 Y97 | E19-K23 PolarHBondContact O-N 3.39Å; F20-K23 PolarHBondContact O-N 3.36Å; K23-H43 WeakPolarHBondContact CE-NE2 3.36Å; K23-H43 WeakPolarHBondContact CG-NE2 3.2Å; K23-R44 PolarHBondContact O-N 3.47Å; K23-D95 WeakPolarHBondContact CE-OD2 3.1Å; K23-D95 IonicContact NZ-OD1 3.75Å; K23-D95 PolarHBondContact NZ-OD1 3.09Å; K23-D95 IonicContact NZ-OD2 3.43Å; K23-D95 PolarHBondContact NZ-OD2 3.26Å; K23-Y97 WeakPolarHBondContact CD-OH 3.04Å |
| 24 | Y | 97 | Very high | 84.7 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.1 | -173.2 | -65.3 | -79.7 | 0 | 0 | 0 | 112.8 | F20 Y21 V42 H43 R44 F50 D95 Y97 V106 | F20-Y24 AromaticContact CD2-CD2 3.91Å; F20-Y24 HydrophobicContact CD2-CD2 3.91Å; F20-Y24 HydrophobicContact CD2-CG 4.35Å; F20-Y24 AromaticContact CE2-CD2 3.96Å; F20-Y24 HydrophobicContact CE2-CD2 3.96Å; F20-Y24 AromaticContact CE2-CG 3.97Å; F20-Y24 HydrophobicContact CE2-CG 3.97Å; F20-Y24 WeakPolarHBondContact O-CA 3.45Å; F20-Y24 WeakPolarHBondContact O-CB 3.32Å; F20-Y24 PolarHBondContact O-N 3.06Å; Y21-Y24 CarbonylContact C-O 3.57Å; Y21-Y24 VanDerWaalsContact O-O 3.12Å; Y24-V42 CarbonylContact C-O 3.58Å; Y24-V42 WeakPolarHBondContact CA-O 3.2Å; Y24-H43 HydrophobicContact CD1-CB 4.04Å; Y24-H43 HydrophobicContact CE1-CB 3.76Å; Y24-H43 AromaticContact CE1-CD2 3.68Å; Y24-H43 AromaticContact CZ-CD2 3.8Å; Y24-R44 PolarHBondContact O-NH2 3.44Å; Y24-F50 HydrophobicContact CD1-CD2 4.39Å; Y24-F50 AromaticContact CE1-CD2 3.74Å; Y24-F50 HydrophobicContact CE1-CD2 3.74Å; Y24-F50 HydrophobicContact CE1-CE2 4.13Å; Y24-F50 HydrophobicContact CE1-CG 4.4Å; Y24-D95 HydrophobicContact CE2-CB 4.33Å; Y24-D95 VanDerWaalsContact CE2-OD2 3.32Å; Y24-D95 WeakPolarHBondContact CE2-OD2 3.26Å; Y24-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y24-D95 PolarHBondContact OH-OD2 3.43Å; Y24-Y97 HydrophobicContact CD2-CE2 4.16Å; Y24-Y97 AromaticContact CE2-CE2 4Å; Y24-Y97 HydrophobicContact CE2-CE2 4Å; Y24-V106 HydrophobicContact CD2-CG2 4.26Å; Y24-V106 HydrophobicContact CE1-CG1 4.02Å; Y24-V106 HydrophobicContact CE2-CG1 4.48Å; Y24-V106 HydrophobicContact CE2-CG2 3.98Å |
| 25 | D | 94.4 | Very high | 85.2 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 101 | 174.9 | -164.3 | 31.5 | 0 | 0 | 0 | 110.3 | K27 C41 V42 R44 | D25-K27 VanDerWaalsContact OD2-CE 3.28Å; D25-K27 WeakPolarHBondContact OD2-CE 3.45Å; D25-K27 IonicContact OD2-NZ 3.57Å; D25-K27 PolarHBondContact OD2-NZ 2.74Å; D25-C41 WeakPolarHBondContact O-CA 3.45Å; D25-V42 PolarHBondContact N-O 3.22Å; D25-V42 PolarHBondContact O-N 2.85Å; D25-R44 HydrophobicContact CB-CG 4.28Å; D25-R44 IonicContact OD1-CZ 2.59Å; D25-R44 IonicContact OD1-NH1 2.65Å; D25-R44 PolarHBondContact OD1-NH1 3.33Å; D25-R44 IonicContact OD1-NH2 3.82Å; D25-R44 PolarHBondContact OD1-NH2 3.14Å; D25-R44 IonicContact OD2-NH1 2.87Å |
| 26 | P | 93.7 | Very high | 86 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 13% | 0.13 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 143.6 | -179 | 26 | -30.5 | 0 | 0 | 0 | 112 | F20 Y21 | F20-P26 HydrophobicContact CE1-CB 4.46Å; F20-P26 HydrophobicContact CE1-CG 4.14Å; Y21-P26 HydrophobicContact CD1-CG 4.1Å; Y21-P26 HydrophobicContact CE1-CG 3.68Å |
| 27 | K | 94.8 | Very high | 86.8 | Confident | 73 Ų | 73 | 67.6 Ų | 67.6 | 32% | 0.317 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | -137.8 | -174 | -57.1 | -62.8 | 176.5 | -174.3 | 0 | 110.3 | D25 R39 R40 V42 | D25-K27 VanDerWaalsContact OD2-CE 3.28Å; D25-K27 WeakPolarHBondContact OD2-CE 3.45Å; D25-K27 IonicContact OD2-NZ 3.57Å; D25-K27 PolarHBondContact OD2-NZ 2.74Å; K27-R39 VanDerWaalsContact O-CZ 3.26Å; K27-R39 PolarHBondContact O-NE 3.38Å; K27-R39 PolarHBondContact O-NH2 3.49Å; K27-R40 WeakPolarHBondContact CA-O 3.33Å; K27-R40 HydrophobicContact CB-CB 4.34Å; K27-R40 WeakPolarHBondContact CB-O 3.5Å; K27-R40 PolarHBondContact N-O 3.12Å; K27-V42 HydrophobicContact CG-CG2 4.05Å |
| 28 | D | 90.9 | Very high | 87.4 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 154 | -179.8 | 50.6 | -72.4 | 0 | 0 | 0 | 112.8 | I30 R39 R40 | D28-I30 WeakPolarHBondContact OD2-CG2 3.11Å; D28-R39 CarbonylContact O-C 3.45Å; D28-R39 VanDerWaalsContact O-CA 3.27Å; D28-R39 WeakPolarHBondContact O-CA 3.03Å; D28-R39 WeakPolarHBondContact O-CB 3.42Å; D28-R40 PolarHBondContact O-N 3.39Å; D28-R40 IonicContact OD1-CZ 3.07Å; D28-R40 IonicContact OD1-NE 3.13Å; D28-R40 PolarHBondContact OD1-NE 2.72Å; D28-R40 IonicContact OD1-NH2 3.49Å; D28-R40 PolarHBondContact OD1-NH2 2.86Å; D28-R40 IonicContact OD2-NE 2.67Å |
| 29 | V | 91.1 | Very high | 87.8 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 35% | 0.352 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.5 | 173.7 | 176.7 | 0 | 0 | 0 | 0 | 108 | G31 R32 V37 R39 | V29-G31 WeakPolarHBondContact CG1-O 3.43Å; V29-R32 HydrophobicContact CG1-CG 3.91Å; V29-V37 HydrophobicContact CB-CG2 4.47Å; V29-V37 HydrophobicContact CG1-CG2 3.66Å; V29-V37 HydrophobicContact CG2-CG2 4.01Å; V29-R39 HydrophobicContact CG2-CG 4.04Å |
| 30 | I | 87.9 | Confident | 88.2 | Confident | 82 Ų | 82 | 66 Ų | 66 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -16.2 | 180 | 62.7 | 177.6 | 0 | 0 | 0 | 112.4 | D28 V38 R40 A51 L109 | D28-I30 WeakPolarHBondContact OD2-CG2 3.11Å; I30-V38 HydrophobicContact CD1-CG1 3.9Å; I30-V38 HydrophobicContact CG1-CB 4.16Å; I30-V38 HydrophobicContact CG1-CG1 3.73Å; I30-V38 WeakPolarHBondContact CG1-O 3.1Å; I30-V38 PolarHBondContact N-O 2.68Å; I30-R40 HydrophobicContact CG2-CB 4.2Å; I30-A51 HydrophobicContact CD1-CB 3.94Å; I30-L109 HydrophobicContact CD1-CD1 3.93Å |
| 31 | G | 82.4 | Confident | 88.3 | Confident | 21 Ų | 21 | 66 Ų | 66 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 155.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V29 V38 | V29-G31 WeakPolarHBondContact CG1-O 3.43Å; G31-V38 PolarHBondContact N-O 3.45Å; G31-V38 VanDerWaalsContact N-O 3.09Å; G31-V38 PolarHBondContact O-N 2.76Å |
| 32 | R | 80.1 | Confident | 88.6 | Confident | 199 Ų | 199 | 62.2 Ų | 62.2 | 75% | 0.751 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 126.5 | 174.9 | -67.6 | -177.2 | -179.6 | -86.7 | 1.4 | 109.1 | V29 V37 | V29-R32 HydrophobicContact CG1-CG 3.91Å; R32-V37 HydrophobicContact CG-CG2 4.35Å |
| 33 | G | 69.8 | Low | 88.8 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 45% | 0.454 | 31% | 0.31 | S | S | . | . | trans | -104.9 | -173 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S36 | G33-S36 PolarHBondContact N-O 3.42Š| ||
| 34 | V | 68.6 | Low | 88.8 | Confident | 159 Ų | 159 | 60.5 Ų | 60.5 | 96% | 0.964 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -66.5 | -46.2 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 35 | S | 71.8 | Confident | 88.8 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 51% | 0.51 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -120.5 | 16.1 | -179.8 | 55 | 0 | 0 | 0 | 0 | 112.9 | E56 | S35-E56 PolarHBondContact O-N 2.84Å; S35-E56 VanDerWaalsContact O-N 3.12Å |
| 36 | S | 83.8 | Confident | 88.9 | Confident | 25 Ų | 25 | 66.2 Ų | 66.2 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.2 | -176.3 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | G33 I54 | G33-S36 PolarHBondContact N-O 3.42Å; S36-I54 CarbonylContact C-O 3.58Å; S36-I54 WeakPolarHBondContact CA-O 3.38Å; S36-I54 WeakPolarHBondContact CB-O 3.49Å |
| 37 | V | 88.6 | Confident | 89 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.6 | 170.7 | 63 | 0 | 0 | 0 | 0 | 109.5 | V29 R32 R39 I54 | V29-V37 HydrophobicContact CB-CG2 4.47Å; V29-V37 HydrophobicContact CG1-CG2 3.66Å; V29-V37 HydrophobicContact CG2-CG2 4.01Å; R32-V37 HydrophobicContact CG-CG2 4.35Å; V37-R39 HydrophobicContact CG2-CG 4.19Å; V37-I54 HydrophobicContact CG1-CB 3.88Å; V37-I54 HydrophobicContact CG1-CD1 4.27Å; V37-I54 HydrophobicContact CG1-CG1 4.41Å; V37-I54 PolarHBondContact N-O 3.09Å; V37-I54 PolarHBondContact O-N 2.88Å |
| 38 | V | 91.2 | Very high | 89.1 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 125 | 175.4 | -170 | 0 | 0 | 0 | 0 | 108.6 | I30 G31 A51 V52 K53 | I30-V38 HydrophobicContact CD1-CG1 3.9Å; I30-V38 HydrophobicContact CG1-CB 4.16Å; I30-V38 HydrophobicContact CG1-CG1 3.73Å; I30-V38 WeakPolarHBondContact CG1-O 3.1Å; I30-V38 PolarHBondContact N-O 2.68Å; G31-V38 PolarHBondContact N-O 3.45Å; G31-V38 VanDerWaalsContact N-O 3.09Å; G31-V38 PolarHBondContact O-N 2.76Å; V38-A51 HydrophobicContact CG1-CB 4.24Å; V38-V52 CarbonylContact C-O 3.37Å; V38-V52 VanDerWaalsContact CA-O 3.29Å; V38-V52 WeakPolarHBondContact CA-O 3.36Å; V38-K53 HydrophobicContact CG2-CB 4.25Å; V38-K53 HydrophobicContact CG2-CG 4.19Å |
| 39 | R | 94.6 | Very high | 89.4 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 29% | 0.291 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.1 | 179.1 | -60.7 | -178.3 | 73.3 | 167.4 | 0.4 | 110.2 | K27 D28 V29 V37 A51 V52 | K27-R39 VanDerWaalsContact O-CZ 3.26Å; K27-R39 PolarHBondContact O-NE 3.38Å; K27-R39 PolarHBondContact O-NH2 3.49Å; D28-R39 CarbonylContact O-C 3.45Å; D28-R39 VanDerWaalsContact O-CA 3.27Å; D28-R39 WeakPolarHBondContact O-CA 3.03Å; D28-R39 WeakPolarHBondContact O-CB 3.42Å; V29-R39 HydrophobicContact CG2-CG 4.04Å; V37-R39 HydrophobicContact CG2-CG 4.19Å; R39-A51 CarbonylContact O-C 3.59Å; R39-A51 WeakPolarHBondContact O-CA 3.45Å; R39-V52 HydrophobicContact CB-CG1 3.99Å; R39-V52 PolarHBondContact N-O 2.84Å; R39-V52 PolarHBondContact O-N 3.19Å |
| 40 | R | 96.4 | Very high | 89.7 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 21% | 0.211 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.6 | 161.1 | -177.2 | 175.3 | 61.3 | 91.5 | 1.4 | 108.4 | K27 D28 I30 E49 F50 L109 | K27-R40 WeakPolarHBondContact CA-O 3.33Å; K27-R40 HydrophobicContact CB-CB 4.34Å; K27-R40 WeakPolarHBondContact CB-O 3.5Å; K27-R40 PolarHBondContact N-O 3.12Å; D28-R40 PolarHBondContact O-N 3.39Å; D28-R40 IonicContact OD1-CZ 3.07Å; D28-R40 IonicContact OD1-NE 3.13Å; D28-R40 PolarHBondContact OD1-NE 2.72Å; D28-R40 IonicContact OD1-NH2 3.49Å; D28-R40 PolarHBondContact OD1-NH2 2.86Å; D28-R40 IonicContact OD2-NE 2.67Å; I30-R40 HydrophobicContact CG2-CB 4.2Å; R40-E49 IonicContact CZ-OE1 3.66Å; R40-E49 IonicContact NH1-OE1 3.16Å; R40-E49 PolarHBondContact NH1-OE1 3.13Å; R40-F50 CarbonylContact C-O 3.52Å; R40-F50 WeakPolarHBondContact CA-O 3.26Å; R40-L109 HydrophobicContact CG-CD1 4.41Å; R40-L109 HydrophobicContact CG-CD2 4.02Å |
| 41 | C | 96.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.1 | 171.7 | 64.9 | 0 | 0 | 0 | 0 | 111 | D25 E49 F50 V52 | D25-C41 WeakPolarHBondContact O-CA 3.45Å; C41-E49 WeakPolarHBondContact O-CA 3.33Å; C41-F50 PolarHBondContact N-O 3.28Å; C41-F50 PolarHBondContact O-N 3.48Å; C41-V52 HydrophobicContact CB-CG1 4.04Å |
| 42 | V | 97.5 | Very high | 90.7 | Very high | 26 Ų | 26 | 61.9 Ų | 61.9 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.2 | -179.5 | -175.9 | 0 | 0 | 0 | 0 | 109 | Y24 D25 K27 R44 D48 E49 | Y24-V42 CarbonylContact C-O 3.58Å; Y24-V42 WeakPolarHBondContact CA-O 3.2Å; D25-V42 PolarHBondContact N-O 3.22Å; D25-V42 PolarHBondContact O-N 2.85Å; K27-V42 HydrophobicContact CG-CG2 4.05Å; V42-R44 PolarHBondContact O-N 2.82Å; V42-D48 CarbonylContact C-O 3.54Å; V42-D48 WeakPolarHBondContact CA-O 3.37Å; V42-E49 HydrophobicContact CG2-CG 4.29Å |
| 43 | H | 97.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 13% | 0.134 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 119.4 | 173.5 | -177 | -102.9 | 0 | 0 | 0 | 109.7 | K23 Y24 A45 T46 G47 D48 F50 | K23-H43 WeakPolarHBondContact CE-NE2 3.36Å; K23-H43 WeakPolarHBondContact CG-NE2 3.2Å; Y24-H43 HydrophobicContact CD1-CB 4.04Å; Y24-H43 HydrophobicContact CE1-CB 3.76Å; Y24-H43 AromaticContact CE1-CD2 3.68Å; Y24-H43 AromaticContact CZ-CD2 3.8Å; H43-A45 VanDerWaalsContact C-N 3.3Å; H43-A45 PolarHBondContact O-N 3.32Å; H43-T46 PolarHBondContact ND1-N 2.98Å; H43-T46 PolarHBondContact ND1-OG1 2.74Å; H43-T46 PolarHBondContact O-N 3.49Å; H43-G47 WeakPolarHBondContact O-CA 3.31Å; H43-G47 PolarHBondContact O-N 3.25Å; H43-D48 PolarHBondContact N-O 3.11Å; H43-F50 HydrophobicContact CB-CD2 4.18Å; H43-F50 HydrophobicContact CB-CE2 3.73Å |
| 44 | R | 96.6 | Very high | 92.3 | Very high | 128 Ų | 128 | 52.7 Ų | 52.7 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -33.6 | -167.1 | -68.5 | -169.5 | -175.3 | -76.8 | -8.4 | 113.6 | Y21 Q22 K23 Y24 D25 V42 | Y21-R44 PolarHBondContact O-NE 3.23Å; Y21-R44 PolarHBondContact O-NH2 2.79Å; Q22-R44 WeakPolarHBondContact O-CD 3.49Å; K23-R44 PolarHBondContact O-N 3.47Å; Y24-R44 PolarHBondContact O-NH2 3.44Å; D25-R44 HydrophobicContact CB-CG 4.28Å; D25-R44 IonicContact OD1-CZ 2.59Å; D25-R44 IonicContact OD1-NH1 2.65Å; D25-R44 PolarHBondContact OD1-NH1 3.33Å; D25-R44 IonicContact OD1-NH2 3.82Å; D25-R44 PolarHBondContact OD1-NH2 3.14Å; D25-R44 IonicContact OD2-NH1 2.87Å; V42-R44 PolarHBondContact O-N 2.82Å |
| 45 | A | 96.3 | Very high | 93.1 | Very high | 90 Ų | 90 | 46 Ų | 46 | 74% | 0.744 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -33.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H43 | H43-A45 VanDerWaalsContact C-N 3.3Å; H43-A45 PolarHBondContact O-N 3.32Å |
| 46 | T | 96.8 | Very high | 93.5 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -24.2 | -174.9 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | H43 D48 | H43-T46 PolarHBondContact ND1-N 2.98Å; H43-T46 PolarHBondContact ND1-OG1 2.74Å; H43-T46 PolarHBondContact O-N 3.49Å; T46-D48 WeakPolarHBondContact CB-OD2 3.27Å; T46-D48 VanDerWaalsContact OG1-CG 3.3Å; T46-D48 PolarHBondContact OG1-N 3.27Å; T46-D48 PolarHBondContact OG1-OD2 2.95Å |
| 47 | G | 95.8 | Very high | 92.9 | Very high | 48 Ų | 48 | 47 Ų | 47 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | trans | 80.4 | 2.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | H43 | H43-G47 WeakPolarHBondContact O-CA 3.31Å; H43-G47 PolarHBondContact O-N 3.25Å | ||
| 48 | D | 96.4 | Very high | 91.7 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | trans | -69.8 | 146.4 | 179.4 | -59.9 | -43.5 | 0 | 0 | 0 | 111.4 | V42 H43 T46 F50 | V42-D48 CarbonylContact C-O 3.54Å; V42-D48 WeakPolarHBondContact CA-O 3.37Å; H43-D48 PolarHBondContact N-O 3.11Å; T46-D48 WeakPolarHBondContact CB-OD2 3.27Å; T46-D48 VanDerWaalsContact OG1-CG 3.3Å; T46-D48 PolarHBondContact OG1-N 3.27Å; T46-D48 PolarHBondContact OG1-OD2 2.95Å; D48-F50 HydrophobicContact CB-CE2 3.61Å; D48-F50 HydrophobicContact CB-CZ 3.91Å | ||
| 49 | E | 97.2 | Very high | 90 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.3 | -176.1 | -56.4 | -168.1 | 112.1 | 0 | 0 | 112.1 | R40 C41 V42 L109 R111 | R40-E49 IonicContact CZ-OE1 3.66Å; R40-E49 IonicContact NH1-OE1 3.16Å; R40-E49 PolarHBondContact NH1-OE1 3.13Å; C41-E49 WeakPolarHBondContact O-CA 3.33Å; V42-E49 HydrophobicContact CG2-CG 4.29Å; E49-L109 HydrophobicContact CB-CD2 3.79Å; E49-R111 IonicContact OE2-CZ 3.66Å; E49-R111 IonicContact OE2-NH1 3.3Å; E49-R111 PolarHBondContact OE2-NH1 3.04Å; E49-R111 IonicContact OE2-NH2 3.18Å; E49-R111 PolarHBondContact OE2-NH2 3.41Å |
| 50 | F | 97.6 | Very high | 88 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 173.8 | -176.7 | -61.5 | -81.8 | 0 | 0 | 0 | 110.7 | Y24 R40 C41 H43 D48 I94 V106 F107 | Y24-F50 HydrophobicContact CD1-CD2 4.39Å; Y24-F50 AromaticContact CE1-CD2 3.74Å; Y24-F50 HydrophobicContact CE1-CD2 3.74Å; Y24-F50 HydrophobicContact CE1-CE2 4.13Å; Y24-F50 HydrophobicContact CE1-CG 4.4Å; R40-F50 CarbonylContact C-O 3.52Å; R40-F50 WeakPolarHBondContact CA-O 3.26Å; C41-F50 PolarHBondContact N-O 3.28Å; C41-F50 PolarHBondContact O-N 3.48Å; H43-F50 HydrophobicContact CB-CD2 4.18Å; H43-F50 HydrophobicContact CB-CE2 3.73Å; D48-F50 HydrophobicContact CB-CE2 3.61Å; D48-F50 HydrophobicContact CB-CZ 3.91Å; F50-I94 HydrophobicContact CD1-CG1 4.08Å; F50-I94 HydrophobicContact CE1-CG1 4.09Å; F50-I94 HydrophobicContact CE1-CG2 4.14Å; F50-V106 HydrophobicContact CB-CG1 3.68Å; F50-V106 HydrophobicContact CD1-CG1 4.34Å; F50-V106 HydrophobicContact CG-CG1 4.01Å; F50-F107 WeakPolarHBondContact CB-O 3.39Å |
| 51 | A | 96.9 | Very high | 86.1 | Confident | 9 Ų | 9 | 63 Ų | 63 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I30 V38 R39 V106 F107 L109 | I30-A51 HydrophobicContact CD1-CB 3.94Å; V38-A51 HydrophobicContact CG1-CB 4.24Å; R39-A51 CarbonylContact O-C 3.59Å; R39-A51 WeakPolarHBondContact O-CA 3.45Å; A51-V106 CarbonylContact O-C 3.58Å; A51-V106 WeakPolarHBondContact O-CA 3.45Å; A51-F107 PolarHBondContact N-O 3.46Å; A51-F107 PolarHBondContact O-N 2.88Å; A51-L109 HydrophobicContact CB-CD1 4.19Å |
| 52 | V | 95.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.6 | 172 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | F20 V38 R39 C41 I54 F104 L105 V106 | F20-V52 HydrophobicContact CD2-CG2 4.41Å; F20-V52 HydrophobicContact CE2-CB 4.04Å; F20-V52 HydrophobicContact CE2-CG1 4.3Å; F20-V52 HydrophobicContact CE2-CG2 3.63Å; F20-V52 HydrophobicContact CZ-CB 4.11Å; F20-V52 HydrophobicContact CZ-CG1 3.85Å; F20-V52 HydrophobicContact CZ-CG2 3.88Å; V38-V52 CarbonylContact C-O 3.37Å; V38-V52 VanDerWaalsContact CA-O 3.29Å; V38-V52 WeakPolarHBondContact CA-O 3.36Å; R39-V52 HydrophobicContact CB-CG1 3.99Å; R39-V52 PolarHBondContact N-O 2.84Å; R39-V52 PolarHBondContact O-N 3.19Å; C41-V52 HydrophobicContact CB-CG1 4.04Å; V52-I54 HydrophobicContact CG1-CD1 4.37Å; V52-I54 HydrophobicContact CG1-CG1 4.23Å; V52-I54 HydrophobicContact CG2-CG1 3.95Å; V52-F104 HydrophobicContact CG2-CB 4.08Å; V52-F104 HydrophobicContact CG2-CD1 4.32Å; V52-L105 CarbonylContact C-O 3.56Å; V52-L105 VanDerWaalsContact CA-O 3.3Å; V52-L105 WeakPolarHBondContact CA-O 3.37Å; V52-V106 HydrophobicContact CG2-CG2 4.3Å |
| 53 | K | 92.4 | Very high | 83.7 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 13% | 0.13 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 113.4 | 166.7 | -175.2 | -179.8 | 176.8 | -174.3 | 0 | 106.9 | V38 M55 E77 L105 F107 | V38-K53 HydrophobicContact CG2-CB 4.25Å; V38-K53 HydrophobicContact CG2-CG 4.19Å; K53-M55 HydrophobicContact CD-CG 4.45Å; K53-M55 HydrophobicContact CD-SD 4.24Å; K53-M55 HydrophobicContact CG-CG 4.08Å; K53-M55 HydrophobicContact CG-SD 4.48Å; K53-E77 IonicContact NZ-OE1 3.1Å; K53-E77 PolarHBondContact NZ-OE1 2.8Å; K53-E77 VanDerWaalsContact NZ-OE1 3.16Å; K53-E77 IonicContact NZ-OE2 3.47Å; K53-L105 HydrophobicContact CB-CB 4.38Å; K53-L105 PolarHBondContact N-O 3.28Å; K53-L105 PolarHBondContact O-N 3.49Å; K53-F107 HydrophobicContact CB-CD2 4.44Å; K53-F107 HydrophobicContact CB-CE2 3.95Å; K53-F107 HydrophobicContact CD-CE2 4.49Å |
| 54 | I | 90.3 | Very high | 82.9 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 10% | 0.103 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114.3 | 177.4 | -49.9 | 175.2 | 0 | 0 | 0 | 106.5 | S36 V37 V52 M103 F104 | S36-I54 CarbonylContact C-O 3.58Å; S36-I54 WeakPolarHBondContact CA-O 3.38Å; S36-I54 WeakPolarHBondContact CB-O 3.49Å; V37-I54 HydrophobicContact CG1-CB 3.88Å; V37-I54 HydrophobicContact CG1-CD1 4.27Å; V37-I54 HydrophobicContact CG1-CG1 4.41Å; V37-I54 PolarHBondContact N-O 3.09Å; V37-I54 PolarHBondContact O-N 2.88Å; V52-I54 HydrophobicContact CG1-CD1 4.37Å; V52-I54 HydrophobicContact CG1-CG1 4.23Å; V52-I54 HydrophobicContact CG2-CG1 3.95Å; I54-M103 CarbonylContact C-O 3.51Å; I54-M103 WeakPolarHBondContact CA-O 3.33Å; I54-F104 HydrophobicContact CB-CD1 4.44Å; I54-F104 HydrophobicContact CD1-CD1 4.27Å; I54-F104 HydrophobicContact CD1-CE1 4.15Å; I54-F104 HydrophobicContact CG1-CD1 3.85Å; I54-F104 HydrophobicContact CG1-CE1 4.12Å; I54-F104 HydrophobicContact CG2-CD1 4.04Å; I54-F104 HydrophobicContact CG2-CE1 3.77Å; I54-F104 HydrophobicContact CG2-CZ 4.32Å |
| 55 | M | 85.4 | Confident | 82.2 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.8 | 179.1 | -60.2 | 177.3 | 60 | 0 | 0 | 108.7 | K53 T74 F102 M103 L105 | K53-M55 HydrophobicContact CD-CG 4.45Å; K53-M55 HydrophobicContact CD-SD 4.24Å; K53-M55 HydrophobicContact CG-CG 4.08Å; K53-M55 HydrophobicContact CG-SD 4.48Å; M55-T74 HydrophobicContact CE-CG2 4.02Å; M55-T74 HydrophobicContact SD-CG2 4.12Å; M55-F102 CarbonylContact O-C 3.6Å; M55-F102 VanDerWaalsContact O-CA 3.31Å; M55-F102 WeakPolarHBondContact O-CA 3.09Å; M55-M103 HydrophobicContact CB-CB 4.35Å; M55-M103 HydrophobicContact CB-CE 4.44Å; M55-M103 HydrophobicContact CE-CE 4.36Å; M55-M103 PolarHBondContact N-O 3.36Å; M55-M103 PolarHBondContact O-N 3.22Å; M55-L105 HydrophobicContact SD-CD1 4.13Å |
| 56 | E | 79.6 | Confident | 81.3 | Confident | 113 Ų | 113 | 72.2 Ų | 72.2 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.5 | 174.4 | -174.1 | 166.8 | -155.5 | 0 | 0 | 108.4 | S35 F102 | S35-E56 PolarHBondContact O-N 2.84Å; S35-E56 VanDerWaalsContact O-N 3.12Å; E56-F102 HydrophobicContact CB-CD1 4.16Å; E56-F102 HydrophobicContact CB-CE1 3.96Å; E56-F102 HydrophobicContact CG-CD1 4.22Å; E56-F102 HydrophobicContact CG-CE1 3.65Å; E56-F102 HydrophobicContact CG-CZ 4.29Å |
| 57 | V | 70.8 | Confident | 80.4 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | trans | -90.8 | -27.8 | -178.5 | -174.3 | 0 | 0 | 0 | 0 | 110 | A59 L67 R71 S101 M103 | V57-A59 PolarHBondContact O-N 2.7Å; V57-L67 HydrophobicContact CG1-CD1 3.68Å; V57-L67 WeakPolarHBondContact O-CD1 3.33Å; V57-R71 HydrophobicContact CG1-CG 3.92Å; V57-S101 PolarHBondContact N-O 3.38Å; V57-M103 HydrophobicContact CG2-CE 3.48Å; V57-M103 VanDerWaalsContact CG2-CE 3.48Å; V57-M103 HydrophobicContact CG2-CG 4.25Å | ||
| 58 | T | 64.3 | Low | 79.7 | Confident | 59 Ų | 59 | 72.5 Ų | 72.5 | 36% | 0.362 | 36% | 0.364 | S | S | . | . | trans | -79.1 | 98.6 | 172.5 | 35.7 | 0 | 0 | 0 | 0 | 111.4 | S101 | T58-S101 VanDerWaalsContact CG2-OG 3.26Å; T58-S101 WeakPolarHBondContact CG2-OG 3.38Å; T58-S101 PolarHBondContact N-O 2.84Å; T58-S101 WeakPolarHBondContact OG1-CB 3.46Å; T58-S101 PolarHBondContact OG1-O 3.24Å | ||
| 59 | A | 55.1 | Low | 79.1 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | trans | -100.3 | 123.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | V57 R61 L62 | V57-A59 PolarHBondContact O-N 2.7Å; A59-R61 HydrophobicContact CB-CB 4.33Å; A59-R61 PolarHBondContact O-N 2.71Å; A59-L62 HydrophobicContact CB-CB 4.44Å; A59-L62 HydrophobicContact CB-CD1 3.84Å; A59-L62 HydrophobicContact CB-CG 3.81Å; A59-L62 PolarHBondContact O-N 3.16Å | ||
| 60 | E | 53.4 | Low | 78.3 | Confident | 208 Ų | 208 | 74 Ų | 74 | 97% | 0.972 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 17.9 | 164 | -63 | 175.8 | 149.4 | 0 | 0 | 113 | ||
| 61 | R | 56.7 | Low | 77.5 | Confident | 227 Ų | 227 | 75.7 Ų | 75.7 | 86% | 0.857 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.8 | -2.4 | -166.6 | -58.7 | -174.8 | 179.4 | -166.8 | -2.6 | 114.4 | A59 | A59-R61 HydrophobicContact CB-CB 4.33Å; A59-R61 PolarHBondContact O-N 2.71Å |
| 62 | L | 66.8 | Low | 77 | Confident | 74 Ų | 74 | 80.4 Ų | 80.4 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | trans | -110.2 | 143.9 | -178.3 | -66.5 | 174.2 | 0 | 0 | 0 | 111.3 | A59 Q66 | A59-L62 HydrophobicContact CB-CB 4.44Å; A59-L62 HydrophobicContact CB-CD1 3.84Å; A59-L62 HydrophobicContact CB-CG 3.81Å; A59-L62 PolarHBondContact O-N 3.16Å; L62-Q66 HydrophobicContact CB-CB 4.11Å; L62-Q66 HydrophobicContact CD2-CB 4.13Å | ||
| 63 | S | 76.7 | Confident | 76.4 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | trans | -67.8 | 159.1 | 171.1 | 76.5 | 0 | 0 | 0 | 0 | 110.7 | E65 Q66 L67 | S63-E65 PolarHBondContact O-N 2.96Å; S63-Q66 PolarHBondContact O-N 3.36Å; S63-Q66 WeakPolarHBondContact OG-CG 3.36Å; S63-Q66 PolarHBondContact OG-N 3.33Å; S63-Q66 PolarHBondContact OG-OE1 2.92Å; S63-L67 PolarHBondContact O-N 3.12Å | ||
| 64 | P | 79.5 | Confident | 76 | Confident | 112 Ų | 112 | 80.7 Ų | 80.7 | 73% | 0.727 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -55.7 | -32.4 | 175.5 | -26 | 35.1 | 0 | 0 | 0 | 113.6 | E68 | P64-E68 PolarHBondContact O-N 3.42Å |
| 65 | E | 81.9 | Confident | 75.9 | Confident | 152 Ų | 152 | 83.5 Ų | 83.5 | 71% | 0.71 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.2 | -47.9 | 177.9 | -66.1 | 157.7 | -175.8 | 0 | 0 | 111 | S63 L67 E68 E69 | S63-E65 PolarHBondContact O-N 2.96Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.4Å; E65-E68 PolarHBondContact O-N 2.74Å; E65-E68 VanDerWaalsContact O-N 3.17Å; E65-E69 PolarHBondContact O-N 3.31Å |
| 66 | Q | 77.7 | Confident | 76.1 | Confident | 86 Ų | 86 | 88.4 Ų | 88.4 | 40% | 0.402 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 176.2 | -70.1 | 172.5 | -37.4 | 0 | 0 | 112.2 | L62 S63 E69 V70 | L62-Q66 HydrophobicContact CB-CB 4.11Å; L62-Q66 HydrophobicContact CD2-CB 4.13Å; S63-Q66 PolarHBondContact O-N 3.36Å; S63-Q66 WeakPolarHBondContact OG-CG 3.36Å; S63-Q66 PolarHBondContact OG-N 3.33Å; S63-Q66 PolarHBondContact OG-OE1 2.92Å; Q66-E69 PolarHBondContact O-N 2.86Å; Q66-V70 WeakPolarHBondContact O-CG2 3.36Å; Q66-V70 PolarHBondContact O-N 3.49Å; Q66-V70 VanDerWaalsContact O-N 3.09Å |
| 67 | L | 78.1 | Confident | 76.7 | Confident | 47 Ų | 47 | 83.5 Ų | 83.5 | 25% | 0.246 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.7 | -42 | 176.2 | -174.3 | 63.5 | 0 | 0 | 0 | 111.6 | V57 S63 E65 V70 R71 | V57-L67 HydrophobicContact CG1-CD1 3.68Å; V57-L67 WeakPolarHBondContact O-CD1 3.33Å; S63-L67 PolarHBondContact O-N 3.12Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.4Å; L67-V70 PolarHBondContact O-N 2.88Å; L67-R71 WeakPolarHBondContact O-CG 3.41Å; L67-R71 PolarHBondContact O-N 3.01Å; L67-R71 VanDerWaalsContact O-N 3.1Å |
| 68 | E | 81.8 | Confident | 77.6 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 176.8 | -165.2 | 63.8 | -167.1 | 0 | 0 | 111.1 | P64 E65 V70 R71 E72 | P64-E68 PolarHBondContact O-N 3.42Å; E65-E68 PolarHBondContact O-N 2.74Å; E65-E68 VanDerWaalsContact O-N 3.17Å; E68-V70 VanDerWaalsContact C-N 3.34Å; E68-V70 PolarHBondContact O-N 3.46Å; E68-R71 WeakPolarHBondContact O-CB 3.39Å; E68-R71 PolarHBondContact O-N 3.42Å; E68-R71 VanDerWaalsContact O-N 3.13Å; E68-E72 WeakPolarHBondContact O-CG 3.43Å; E68-E72 PolarHBondContact O-N 2.93Å |
| 69 | E | 82.5 | Confident | 79.1 | Confident | 125 Ų | 125 | 85 Ų | 85 | 58% | 0.584 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.3 | -43.5 | 175.3 | -72 | 176.2 | -180 | 0 | 0 | 112.6 | E65 Q66 R71 E72 A73 | E65-E69 PolarHBondContact O-N 3.31Å; Q66-E69 PolarHBondContact O-N 2.86Å; E69-R71 VanDerWaalsContact C-N 3.33Å; E69-R71 PolarHBondContact O-N 3Å; E69-E72 PolarHBondContact O-N 3.01Å; E69-A73 VanDerWaalsContact O-CB 3.27Å; E69-A73 WeakPolarHBondContact O-CB 3.24Å; E69-A73 PolarHBondContact O-N 3.29Å |
| 70 | V | 80.7 | Confident | 81.1 | Confident | 57 Ų | 57 | 82.9 Ų | 82.9 | 35% | 0.345 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 176.8 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | Q66 L67 E68 T74 | Q66-V70 WeakPolarHBondContact O-CG2 3.36Å; Q66-V70 PolarHBondContact O-N 3.49Å; Q66-V70 VanDerWaalsContact O-N 3.09Å; L67-V70 PolarHBondContact O-N 2.88Å; E68-V70 VanDerWaalsContact C-N 3.34Å; E68-V70 PolarHBondContact O-N 3.46Å; V70-T74 PolarHBondContact O-N 3.36Å; V70-T74 PolarHBondContact O-OG1 2.83Å |
| 71 | R | 81 | Confident | 83.1 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 25% | 0.249 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -49.4 | 176 | -74.9 | 174.2 | 173.3 | -162.8 | -5.5 | 111 | V57 L67 E68 E69 A73 T74 Q75 P100 | V57-R71 HydrophobicContact CG1-CG 3.92Å; L67-R71 WeakPolarHBondContact O-CG 3.41Å; L67-R71 PolarHBondContact O-N 3.01Å; L67-R71 VanDerWaalsContact O-N 3.1Å; E68-R71 WeakPolarHBondContact O-CB 3.39Å; E68-R71 PolarHBondContact O-N 3.42Å; E68-R71 VanDerWaalsContact O-N 3.13Å; E69-R71 VanDerWaalsContact C-N 3.33Å; E69-R71 PolarHBondContact O-N 3Å; R71-A73 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 3.44Å; R71-T74 PolarHBondContact O-N 2.79Å; R71-Q75 WeakPolarHBondContact O-CG 3.25Å; R71-Q75 PolarHBondContact O-N 2.67Å; R71-P100 PolarHBondContact NH2-O 3.42Å |
| 72 | E | 85.9 | Confident | 84.9 | Confident | 108 Ų | 108 | 67.9 Ų | 67.9 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 177.4 | -72.6 | -173.2 | 169 | 0 | 0 | 112.1 | E68 E69 T74 Q75 R76 | E68-E72 WeakPolarHBondContact O-CG 3.43Å; E68-E72 PolarHBondContact O-N 2.93Å; E69-E72 PolarHBondContact O-N 3.01Å; E72-T74 VanDerWaalsContact C-N 3.33Å; E72-T74 PolarHBondContact O-N 2.68Å; E72-Q75 PolarHBondContact O-N 3.07Å; E72-R76 WeakPolarHBondContact O-CB 3.24Å; E72-R76 WeakPolarHBondContact O-CG 3.36Å; E72-R76 PolarHBondContact O-N 3.49Å; E72-R76 PolarHBondContact O-NE 2.78Å |
| 73 | A | 84.6 | Confident | 86.3 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E69 R71 R76 E77 | E69-A73 VanDerWaalsContact O-CB 3.27Å; E69-A73 WeakPolarHBondContact O-CB 3.24Å; E69-A73 PolarHBondContact O-N 3.29Å; R71-A73 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 3.44Å; A73-R76 PolarHBondContact O-N 2.67Å; A73-E77 PolarHBondContact O-N 3.04Å |
| 74 | T | 83.7 | Confident | 87.3 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.6 | -37.5 | -179.8 | -46.6 | 0 | 0 | 0 | 0 | 112.2 | M55 V70 R71 E72 R76 E77 M78 M103 | M55-T74 HydrophobicContact CE-CG2 4.02Å; M55-T74 HydrophobicContact SD-CG2 4.12Å; V70-T74 PolarHBondContact O-N 3.36Å; V70-T74 PolarHBondContact O-OG1 2.83Å; R71-T74 PolarHBondContact O-N 2.79Å; E72-T74 VanDerWaalsContact C-N 3.33Å; E72-T74 PolarHBondContact O-N 2.68Å; T74-R76 VanDerWaalsContact C-N 3.28Å; T74-R76 PolarHBondContact O-N 2.88Å; T74-E77 WeakPolarHBondContact O-CB 3.38Å; T74-E77 PolarHBondContact O-N 3.38Å; T74-M78 HydrophobicContact CG2-CG 4.36Å; T74-M78 HydrophobicContact CG2-SD 4.23Å; T74-M78 WeakPolarHBondContact O-CB 3.08Å; T74-M78 VanDerWaalsContact O-CG 3.29Å; T74-M78 WeakPolarHBondContact O-CG 3.45Å; T74-M78 PolarHBondContact O-N 3.15Å; T74-M103 VanDerWaalsContact CB-CE 3.43Å; T74-M103 HydrophobicContact CG2-CE 3.21Å; T74-M103 HydrophobicContact CG2-SD 3.48Å; T74-M103 WeakPolarHBondContact CG2-SD 3.46Å; T74-M103 WeakPolarHBondContact OG1-CE 3.34Å |
| 75 | Q | 87.2 | Confident | 88 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 173.3 | -72.7 | -62.4 | -19.2 | 0 | 0 | 111.6 | R71 E72 M78 H79 E98 | R71-Q75 WeakPolarHBondContact O-CG 3.25Å; R71-Q75 PolarHBondContact O-N 2.67Å; E72-Q75 PolarHBondContact O-N 3.07Å; Q75-M78 PolarHBondContact O-N 2.95Å; Q75-H79 VanDerWaalsContact O-CB 3.32Å; Q75-H79 WeakPolarHBondContact O-CB 3.29Å; Q75-H79 PolarHBondContact O-N 3.24Å; Q75-E98 PolarHBondContact NE2-OE2 3.25Å |
| 76 | R | 90.2 | Very high | 88.5 | Confident | 121 Ų | 121 | 59.1 Ų | 59.1 | 46% | 0.457 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 172.1 | -76.4 | -176 | -71.6 | 133.9 | -9.2 | 112 | E72 A73 T74 M78 H79 I80 | E72-R76 WeakPolarHBondContact O-CB 3.24Å; E72-R76 WeakPolarHBondContact O-CG 3.36Å; E72-R76 PolarHBondContact O-N 3.49Å; E72-R76 PolarHBondContact O-NE 2.78Å; A73-R76 PolarHBondContact O-N 2.67Å; T74-R76 VanDerWaalsContact C-N 3.28Å; T74-R76 PolarHBondContact O-N 2.88Å; R76-M78 VanDerWaalsContact C-N 3.33Å; R76-M78 PolarHBondContact O-N 3.46Å; R76-H79 PolarHBondContact O-N 2.96Å; R76-I80 WeakPolarHBondContact O-CG1 3.24Å; R76-I80 PolarHBondContact O-N 3.09Å |
| 77 | E | 91.3 | Very high | 89.4 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.5 | -48.3 | 175.6 | -177.3 | -177.1 | 175.4 | 0 | 0 | 110.7 | K53 A73 T74 I80 L81 F172 | K53-E77 IonicContact NZ-OE1 3.1Å; K53-E77 PolarHBondContact NZ-OE1 2.8Å; K53-E77 VanDerWaalsContact NZ-OE1 3.16Å; K53-E77 IonicContact NZ-OE2 3.47Å; A73-E77 PolarHBondContact O-N 3.04Å; T74-E77 WeakPolarHBondContact O-CB 3.38Å; T74-E77 PolarHBondContact O-N 3.38Å; E77-I80 PolarHBondContact O-N 3.49Å; E77-L81 HydrophobicContact CG-CD1 3.97Å; E77-L81 WeakPolarHBondContact O-CB 3.3Å; E77-L81 VanDerWaalsContact O-CG 3.31Å; E77-L81 WeakPolarHBondContact O-CG 3.5Å; E77-L81 PolarHBondContact O-N 3.46Å; E77-F172 HydrophobicContact CG-CB 4.07Å |
| 78 | M | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 179.6 | -69.7 | 178.2 | 62.9 | 0 | 0 | 112.8 | T74 Q75 R76 L81 R82 S96 E98 M103 L105 | T74-M78 HydrophobicContact CG2-CG 4.36Å; T74-M78 HydrophobicContact CG2-SD 4.23Å; T74-M78 WeakPolarHBondContact O-CB 3.08Å; T74-M78 VanDerWaalsContact O-CG 3.29Å; T74-M78 WeakPolarHBondContact O-CG 3.45Å; T74-M78 PolarHBondContact O-N 3.15Å; Q75-M78 PolarHBondContact O-N 2.95Å; R76-M78 VanDerWaalsContact C-N 3.33Å; R76-M78 PolarHBondContact O-N 3.46Å; M78-L81 PolarHBondContact O-N 2.71Å; M78-R82 VanDerWaalsContact CE-NH2 3.25Å; M78-R82 VanDerWaalsContact O-CG 3.3Å; M78-R82 WeakPolarHBondContact O-CG 3.44Å; M78-R82 PolarHBondContact O-N 3.19Å; M78-S96 VanDerWaalsContact CE-CB 3.44Å; M78-E98 HydrophobicContact CE-CG 4.01Å; M78-E98 WeakPolarHBondContact CE-OE1 3.17Å; M78-E98 HydrophobicContact SD-CG 4.42Å; M78-M103 HydrophobicContact SD-SD 4.34Å; M78-L105 HydrophobicContact CE-CD2 3.75Å; M78-L105 HydrophobicContact CG-CD1 4.35Å; M78-L105 HydrophobicContact CG-CD2 3.95Å; M78-L105 HydrophobicContact SD-CD2 3.67Å |
| 79 | H | 94.7 | Very high | 91.1 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 45% | 0.454 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 175.9 | -175.2 | 72.2 | 0 | 0 | 0 | 111.2 | Q75 R76 R82 Q83 H177 | Q75-H79 VanDerWaalsContact O-CB 3.32Å; Q75-H79 WeakPolarHBondContact O-CB 3.29Å; Q75-H79 PolarHBondContact O-N 3.24Å; R76-H79 PolarHBondContact O-N 2.96Å; H79-R82 PolarHBondContact O-N 3.32Å; H79-Q83 PolarHBondContact NE2-NE2 2.84Å; H79-Q83 WeakPolarHBondContact O-CG 3.45Å; H79-Q83 PolarHBondContact O-N 3.34Å; H79-Q83 VanDerWaalsContact O-N 3.1Å; H79-H177 AromaticContact CD2-CE1 3.91Å |
| 80 | I | 96.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 175.5 | -72.9 | 170.9 | 0 | 0 | 0 | 110.5 | R76 E77 R82 Q83 V84 I149 F172 S175 | R76-I80 WeakPolarHBondContact O-CG1 3.24Å; R76-I80 PolarHBondContact O-N 3.09Å; E77-I80 PolarHBondContact O-N 3.49Å; I80-R82 VanDerWaalsContact C-N 3.27Å; I80-R82 PolarHBondContact O-N 3.32Å; I80-Q83 WeakPolarHBondContact O-CB 3.23Å; I80-Q83 PolarHBondContact O-N 2.82Å; I80-V84 HydrophobicContact CG2-CG1 4.36Å; I80-V84 WeakPolarHBondContact O-CG1 3.34Å; I80-V84 WeakPolarHBondContact O-CG2 3.5Å; I80-V84 PolarHBondContact O-N 3.06Å; I80-I149 HydrophobicContact CG2-CD1 4.25Å; I80-I149 HydrophobicContact CG2-CG2 4.1Å; I80-F172 HydrophobicContact CG2-CB 4.28Å; I80-F172 HydrophobicContact CG2-CD1 3.55Å; I80-F172 HydrophobicContact CG2-CE1 4.22Å; I80-F172 HydrophobicContact CG2-CG 4.14Å; I80-S175 WeakPolarHBondContact CD1-O 3.45Å |
| 81 | L | 95.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.5 | -39.7 | 178.8 | -78.5 | 168.4 | 0 | 0 | 0 | 112.8 | E77 M78 A85 I91 L93 F107 F172 | E77-L81 HydrophobicContact CG-CD1 3.97Å; E77-L81 WeakPolarHBondContact O-CB 3.3Å; E77-L81 VanDerWaalsContact O-CG 3.31Å; E77-L81 WeakPolarHBondContact O-CG 3.5Å; E77-L81 PolarHBondContact O-N 3.46Å; M78-L81 PolarHBondContact O-N 2.71Å; L81-A85 PolarHBondContact O-N 2.93Å; L81-I91 HydrophobicContact CD2-CG2 3.99Å; L81-L93 HydrophobicContact CB-CB 4.13Å; L81-L93 HydrophobicContact CB-CD2 4.17Å; L81-F107 HydrophobicContact CD1-CE1 3.84Å; L81-F107 HydrophobicContact CD1-CZ 3.92Å; L81-F107 HydrophobicContact CD2-CE1 4.19Å; L81-F172 HydrophobicContact CD2-CD2 3.55Å; L81-F172 HydrophobicContact CD2-CE2 4.03Å; L81-F172 HydrophobicContact CD2-CG 4.22Å; L81-F172 HydrophobicContact CG-CB 4.47Å; L81-F172 HydrophobicContact CG-CD2 4.32Å |
| 82 | R | 95.3 | Very high | 93.4 | Very high | 117 Ų | 117 | 44.5 Ų | 44.5 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.5 | -37.6 | 175.7 | -72.3 | 173.7 | -177.8 | 137.5 | -2.7 | 112.1 | M78 H79 I80 A85 L93 S96 E98 | M78-R82 VanDerWaalsContact CE-NH2 3.25Å; M78-R82 VanDerWaalsContact O-CG 3.3Å; M78-R82 WeakPolarHBondContact O-CG 3.44Å; M78-R82 PolarHBondContact O-N 3.19Å; H79-R82 PolarHBondContact O-N 3.32Å; I80-R82 VanDerWaalsContact C-N 3.27Å; I80-R82 PolarHBondContact O-N 3.32Å; R82-A85 WeakPolarHBondContact O-CB 3.35Å; R82-L93 HydrophobicContact CG-CD2 4.16Å; R82-S96 PolarHBondContact NH2-OG 2.85Å; R82-E98 IonicContact NH2-OE1 3.68Å; R82-E98 PolarHBondContact NH2-OE1 3.35Å |
| 83 | Q | 96.3 | Very high | 93.9 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.8 | -38.8 | 177.6 | -72 | -177.8 | -10.7 | 0 | 0 | 112.8 | H79 I80 A85 H177 | H79-Q83 PolarHBondContact NE2-NE2 2.84Å; H79-Q83 WeakPolarHBondContact O-CG 3.45Å; H79-Q83 PolarHBondContact O-N 3.34Å; H79-Q83 VanDerWaalsContact O-N 3.1Å; I80-Q83 WeakPolarHBondContact O-CB 3.23Å; I80-Q83 PolarHBondContact O-N 2.82Å; Q83-A85 VanDerWaalsContact C-N 3.32Å; Q83-H177 PolarHBondContact OE1-CE1 2.8Å; Q83-H177 PolarHBondContact OE1-NE2 2.74Å |
| 84 | V | 97 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -87.7 | -4.3 | -175.9 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | I80 G86 H87 I90 F143 L144 I149 F172 | I80-V84 HydrophobicContact CG2-CG1 4.36Å; I80-V84 WeakPolarHBondContact O-CG1 3.34Å; I80-V84 WeakPolarHBondContact O-CG2 3.5Å; I80-V84 PolarHBondContact O-N 3.06Å; V84-G86 PolarHBondContact O-N 3.39Å; V84-H87 PolarHBondContact O-N 2.74Å; V84-I90 HydrophobicContact CB-CD1 4.1Å; V84-I90 HydrophobicContact CB-CG2 4.29Å; V84-I90 HydrophobicContact CG2-CG2 3.65Å; V84-F143 HydrophobicContact CB-CE1 3.95Å; V84-F143 HydrophobicContact CG1-CE1 4.15Å; V84-L144 HydrophobicContact CB-CD2 4.29Å; V84-L144 HydrophobicContact CG1-CD2 3.49Å; V84-L144 VanDerWaalsContact CG1-CD2 3.49Å; V84-I149 HydrophobicContact CG1-CD1 3.62Å; V84-F172 HydrophobicContact CG2-CZ 4.36Å |
| 85 | A | 94.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 43.6 Ų | 43.6 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 135.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L81 R82 Q83 T92 | L81-A85 PolarHBondContact O-N 2.93Å; R82-A85 WeakPolarHBondContact O-CB 3.35Å; Q83-A85 VanDerWaalsContact C-N 3.32Å; A85-T92 HydrophobicContact CB-CG2 4.39Å |
| 86 | G | 92.7 | Very high | 95.2 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 70% | 0.701 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 101.7 | -14.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V84 | V84-G86 PolarHBondContact O-N 3.39Š|
| 87 | H | 97.6 | Very high | 95.2 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 13% | 0.13 | 21% | 0.208 | C | C | . | . | trans | -71.7 | 129.8 | 171.3 | -169.7 | -86.1 | 0 | 0 | 0 | 110.8 | V84 H89 I90 F143 | V84-H87 PolarHBondContact O-N 2.74Å; H87-H89 PolarHBondContact ND1-N 3.2Å; H87-H89 VanDerWaalsContact ND1-N 3.18Å; H87-H89 PolarHBondContact O-N 2.95Å; H87-H89 VanDerWaalsContact O-N 3.15Å; H87-I90 HydrophobicContact CB-CB 4.18Å; H87-I90 HydrophobicContact CB-CD1 3.9Å; H87-I90 HydrophobicContact CB-CG1 4.13Å; H87-I90 PolarHBondContact O-N 3.49Å; H87-F143 HydrophobicContact CB-CD1 4.08Å; H87-F143 HydrophobicContact CB-CE1 4.04Å; H87-F143 HydrophobicContact CB-CG 4.5Å; H87-F143 HydrophobicContact CB-CZ 4.43Å; H87-F143 AromaticContact CD2-CD1 3.85Å; H87-F143 AromaticContact CD2-CD2 3.74Å; H87-F143 AromaticContact CD2-CG 3.44Å; H87-F143 VanDerWaalsContact CD2-CG 3.44Å; H87-F143 WeakPolarHBondContact CD2-CG 3.08Å | ||
| 88 | P | 96.9 | Very high | 94.9 | Very high | 79 Ų | 79 | 39 Ų | 39 | 51% | 0.513 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.5 | -172.1 | 25.6 | -35.9 | 0 | 0 | 0 | 114.3 | ||
| 89 | H | 98.1 | Very high | 94.4 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 9% | 0.093 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 16.9 | -178.7 | -57.1 | -42.8 | 0 | 0 | 0 | 113.7 | H87 S136 E139 A140 I167 R168 L169 | H87-H89 PolarHBondContact ND1-N 3.2Å; H87-H89 VanDerWaalsContact ND1-N 3.18Å; H87-H89 PolarHBondContact O-N 2.95Å; H87-H89 VanDerWaalsContact O-N 3.15Å; H89-S136 VanDerWaalsContact CD2-CB 3.49Å; H89-S136 WeakPolarHBondContact CD2-CB 3.45Å; H89-S136 PolarHBondContact CE1-OG 2.93Å; H89-S136 PolarHBondContact NE2-OG 2.85Å; H89-S136 VanDerWaalsContact NE2-OG 3.07Å; H89-E139 IonicContact CD2-OE2 2.86Å; H89-E139 PolarHBondContact CD2-OE2 3.43Å; H89-E139 IonicContact NE2-OE2 3.94Å; H89-E139 PolarHBondContact NE2-OE2 3.28Å; H89-A140 HydrophobicContact CB-CB 4.04Å; H89-I167 WeakPolarHBondContact CA-O 3.43Å; H89-I167 PolarHBondContact ND1-O 3.36Å; H89-R168 WeakPolarHBondContact O-CA 3.12Å; H89-L169 PolarHBondContact O-N 3.12Å |
| 90 | I | 98.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -121.8 | 146.9 | 172.6 | -61.6 | 173.4 | 0 | 0 | 0 | 108.3 | V84 H87 A140 F143 L144 R168 L169 F172 | V84-I90 HydrophobicContact CB-CD1 4.1Å; V84-I90 HydrophobicContact CB-CG2 4.29Å; V84-I90 HydrophobicContact CG2-CG2 3.65Å; H87-I90 HydrophobicContact CB-CB 4.18Å; H87-I90 HydrophobicContact CB-CD1 3.9Å; H87-I90 HydrophobicContact CB-CG1 4.13Å; H87-I90 PolarHBondContact O-N 3.49Å; I90-A140 HydrophobicContact CD1-CB 4.37Å; I90-A140 HydrophobicContact CG1-CB 3.92Å; I90-F143 HydrophobicContact CD1-CD1 3.68Å; I90-F143 HydrophobicContact CD1-CE1 4.14Å; I90-L144 HydrophobicContact CD1-CD2 3.79Å; I90-L144 HydrophobicContact CD1-CG 4.13Å; I90-R168 PolarHBondContact O-NH1 2.7Å; I90-L169 HydrophobicContact CG1-CB 4.49Å; I90-F172 HydrophobicContact CG2-CE2 3.75Å; I90-F172 HydrophobicContact CG2-CZ 3.57Å |
| 91 | I | 97.2 | Very high | 92.6 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | trans | -66.4 | 133.9 | 177.4 | -163.6 | 69 | 0 | 0 | 0 | 110.2 | L81 F107 D108 M110 L160 R168 L169 F172 | L81-I91 HydrophobicContact CD2-CG2 3.99Å; I91-F107 HydrophobicContact CD1-CB 4.32Å; I91-F107 HydrophobicContact CG1-CB 3.93Å; I91-F107 HydrophobicContact CG1-CD1 3.79Å; I91-F107 HydrophobicContact CG1-CG 4.14Å; I91-F107 HydrophobicContact CG2-CD1 4.22Å; I91-F107 HydrophobicContact CG2-CE1 4.35Å; I91-D108 HydrophobicContact CD1-CB 3.93Å; I91-M110 HydrophobicContact CD1-CG 3.89Å; I91-M110 HydrophobicContact CD1-SD 4.37Å; I91-L160 HydrophobicContact CD1-CD1 4.35Å; I91-R168 HydrophobicContact CB-CB 4.49Å; I91-R168 HydrophobicContact CD1-CB 4.39Å; I91-L169 WeakPolarHBondContact CB-O 3.47Å; I91-L169 WeakPolarHBondContact CG2-O 3.44Å; I91-L169 PolarHBondContact N-O 3.37Å; I91-F172 HydrophobicContact CG2-CE2 4.41Å | ||
| 92 | T | 96.1 | Very high | 92 | Very high | 29 Ų | 29 | 40.4 Ų | 40.4 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | trans | -92.4 | 124.2 | -179.7 | -39.5 | 0 | 0 | 0 | 0 | 109.6 | A85 I94 F107 D108 | A85-T92 HydrophobicContact CB-CG2 4.39Å; T92-I94 HydrophobicContact CG2-CD1 3.89Å; T92-I94 PolarHBondContact O-N 3.31Å; T92-F107 VanDerWaalsContact O-CA 3.31Å; T92-F107 WeakPolarHBondContact O-CA 3.42Å; T92-F107 WeakPolarHBondContact O-CD1 3.26Å; T92-D108 WeakPolarHBondContact CB-OD2 3.28Å; T92-D108 PolarHBondContact N-OD2 3.27Å; T92-D108 PolarHBondContact OG1-OD2 2.59Å | ||
| 93 | L | 96 | Very high | 91.6 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 108.8 | 164.6 | -179.5 | 67.4 | 0 | 0 | 0 | 108.4 | L81 R82 D95 L105 F107 | L81-L93 HydrophobicContact CB-CB 4.13Å; L81-L93 HydrophobicContact CB-CD2 4.17Å; R82-L93 HydrophobicContact CG-CD2 4.16Å; L93-D95 WeakPolarHBondContact CD1-O 3.46Å; L93-L105 HydrophobicContact CD1-CB 3.88Å; L93-L105 HydrophobicContact CD1-CD2 4.16Å; L93-F107 HydrophobicContact CB-CD1 4.33Å; L93-F107 HydrophobicContact CB-CE1 3.99Å; L93-F107 HydrophobicContact CD1-CD1 4.25Å; L93-F107 HydrophobicContact CD1-CE1 3.72Å; L93-F107 HydrophobicContact CD1-CE2 4.47Å; L93-F107 HydrophobicContact CD1-CZ 3.85Å; L93-F107 HydrophobicContact CG-CE1 4.46Å |
| 94 | I | 95.6 | Very high | 91.4 | Very high | 63 Ų | 63 | 31.6 Ų | 31.6 | 32% | 0.323 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -49.3 | -175.6 | -55.6 | -60.2 | 0 | 0 | 0 | 111.2 | F50 T92 V106 | F50-I94 HydrophobicContact CD1-CG1 4.08Å; F50-I94 HydrophobicContact CE1-CG1 4.09Å; F50-I94 HydrophobicContact CE1-CG2 4.14Å; T92-I94 HydrophobicContact CG2-CD1 3.89Å; T92-I94 PolarHBondContact O-N 3.31Å; I94-V106 HydrophobicContact CB-CG1 4.29Å; I94-V106 PolarHBondContact N-O 2.99Å |
| 95 | D | 94.4 | Very high | 91.2 | Very high | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.214 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 155.9 | 177.4 | -79.8 | -43.5 | 0 | 0 | 0 | 109.3 | K23 Y24 L93 Y97 V106 | K23-D95 WeakPolarHBondContact CE-OD2 3.1Å; K23-D95 IonicContact NZ-OD1 3.75Å; K23-D95 PolarHBondContact NZ-OD1 3.09Å; K23-D95 IonicContact NZ-OD2 3.43Å; K23-D95 PolarHBondContact NZ-OD2 3.26Å; Y24-D95 HydrophobicContact CE2-CB 4.33Å; Y24-D95 VanDerWaalsContact CE2-OD2 3.32Å; Y24-D95 WeakPolarHBondContact CE2-OD2 3.26Å; Y24-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y24-D95 PolarHBondContact OH-OD2 3.43Å; L93-D95 WeakPolarHBondContact CD1-O 3.46Å; D95-Y97 HydrophobicContact CB-CE2 3.94Å; D95-V106 HydrophobicContact CB-CB 4.08Å; D95-V106 HydrophobicContact CB-CG2 4.12Å; D95-V106 PolarHBondContact N-O 3.17Å; D95-V106 PolarHBondContact O-N 3.39Å |
| 96 | S | 92.9 | Very high | 91.3 | Very high | 35 Ų | 35 | 29.4 Ų | 29.4 | 25% | 0.245 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136.5 | 172.3 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | M78 R82 F104 | M78-S96 VanDerWaalsContact CE-CB 3.44Å; R82-S96 PolarHBondContact NH2-OG 2.85Å; S96-F104 CarbonylContact C-O 3.33Å; S96-F104 VanDerWaalsContact CA-O 3.3Å; S96-F104 WeakPolarHBondContact CA-O 3.38Å |
| 97 | Y | 91.1 | Very high | 91.5 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 8% | 0.082 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.6 | 172.8 | -54.1 | -88.9 | 0 | 0 | 0 | 108.9 | E19 F20 K23 Y24 D95 M103 F104 V106 | E19-Y97 HydrophobicContact CB-CD1 3.78Å; E19-Y97 HydrophobicContact CB-CE1 3.79Å; F20-Y97 HydrophobicContact CB-CD2 3.83Å; F20-Y97 HydrophobicContact CB-CE2 4.23Å; F20-Y97 HydrophobicContact CB-CG 4.01Å; F20-Y97 AromaticContact CD2-CD2 3.91Å; F20-Y97 HydrophobicContact CD2-CD2 3.91Å; F20-Y97 AromaticContact CD2-CE2 4Å; F20-Y97 HydrophobicContact CD2-CE2 4Å; F20-Y97 HydrophobicContact CG-CD2 4.35Å; K23-Y97 WeakPolarHBondContact CD-OH 3.04Å; Y24-Y97 HydrophobicContact CD2-CE2 4.16Å; Y24-Y97 AromaticContact CE2-CE2 4Å; Y24-Y97 HydrophobicContact CE2-CE2 4Å; D95-Y97 HydrophobicContact CB-CE2 3.94Å; Y97-M103 WeakPolarHBondContact O-CA 3.35Å; Y97-F104 HydrophobicContact CD2-CB 4.21Å; Y97-F104 PolarHBondContact N-O 3.43Å; Y97-F104 PolarHBondContact O-N 2.61Å; Y97-V106 HydrophobicContact CE2-CG2 4.4Å |
| 98 | E | 84.6 | Confident | 91.4 | Very high | 59 Ų | 59 | 27.5 Ų | 27.5 | 28% | 0.276 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.2 | -171.9 | -61.8 | 171.9 | -139.2 | 0 | 0 | 109.2 | A16 Q75 M78 R82 M103 | A16-E98 WeakPolarHBondContact CB-O 3.32Å; Q75-E98 PolarHBondContact NE2-OE2 3.25Å; M78-E98 HydrophobicContact CE-CG 4.01Å; M78-E98 WeakPolarHBondContact CE-OE1 3.17Å; M78-E98 HydrophobicContact SD-CG 4.42Å; R82-E98 IonicContact NH2-OE1 3.68Å; R82-E98 PolarHBondContact NH2-OE1 3.35Å; E98-M103 HydrophobicContact CG-CG 4.43Å |
| 99 | S | 80.6 | Confident | 91.3 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | trans | -140.8 | 161.6 | 170.7 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | D13 S101 F102 | D13-S99 WeakPolarHBondContact OD1-CB 3.34Å; D13-S99 PolarHBondContact OD1-OG 2.99Å; S99-S101 PolarHBondContact O-N 3.08Å; S99-S101 VanDerWaalsContact O-N 3.09Å; S99-F102 PolarHBondContact N-O 2.86Å; S99-F102 PolarHBondContact O-N 2.69Å; S99-F102 PolarHBondContact OG-N 3.37Å; S99-F102 PolarHBondContact OG-O 3.47Å | ||
| 100 | P | 76.1 | Confident | 91.2 | Very high | 36 Ų | 36 | 25 Ų | 25 | 23% | 0.234 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -50.2 | -34.3 | 177.2 | -31.3 | 35.3 | 0 | 0 | 0 | 115.1 | L11 D13 R71 | L11-P100 VanDerWaalsContact O-CD 3.27Å; L11-P100 WeakPolarHBondContact O-CD 3.35Å; D13-P100 WeakPolarHBondContact OD1-CD 3.47Å; R71-P100 PolarHBondContact NH2-O 3.42Å |
| 101 | S | 78.3 | Confident | 91 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 11% | 0.112 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -104.9 | -26.4 | -174.8 | -58.5 | 0 | 0 | 0 | 0 | 114.4 | D13 V57 T58 S99 | D13-S101 VanDerWaalsContact CG-OG 3.22Å; D13-S101 WeakPolarHBondContact OD1-CB 3.3Å; D13-S101 PolarHBondContact OD1-N 3.1Å; D13-S101 PolarHBondContact OD1-OG 2.73Å; D13-S101 WeakPolarHBondContact OD2-CB 3.32Å; D13-S101 PolarHBondContact OD2-OG 2.68Å; V57-S101 PolarHBondContact N-O 3.38Å; T58-S101 VanDerWaalsContact CG2-OG 3.26Å; T58-S101 WeakPolarHBondContact CG2-OG 3.38Å; T58-S101 PolarHBondContact N-O 2.84Å; T58-S101 WeakPolarHBondContact OG1-CB 3.46Å; T58-S101 PolarHBondContact OG1-O 3.24Å; S99-S101 PolarHBondContact O-N 3.08Å; S99-S101 VanDerWaalsContact O-N 3.09Å |
| 102 | F | 83 | Confident | 90.8 | Very high | 67 Ų | 67 | 35.1 Ų | 35.1 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 146.9 | -176 | -61.5 | -82.2 | 0 | 0 | 0 | 113 | M55 E56 S99 F104 | M55-F102 CarbonylContact O-C 3.6Å; M55-F102 VanDerWaalsContact O-CA 3.31Å; M55-F102 WeakPolarHBondContact O-CA 3.09Å; E56-F102 HydrophobicContact CB-CD1 4.16Å; E56-F102 HydrophobicContact CB-CE1 3.96Å; E56-F102 HydrophobicContact CG-CD1 4.22Å; E56-F102 HydrophobicContact CG-CE1 3.65Å; E56-F102 HydrophobicContact CG-CZ 4.29Å; S99-F102 PolarHBondContact N-O 2.86Å; S99-F102 PolarHBondContact O-N 2.69Å; S99-F102 PolarHBondContact OG-N 3.37Å; S99-F102 PolarHBondContact OG-O 3.47Å; F102-F104 HydrophobicContact CB-CD2 4.5Å; F102-F104 HydrophobicContact CB-CE2 3.76Å; F102-F104 HydrophobicContact CB-CZ 4.17Å |
| 103 | M | 86.8 | Confident | 90.7 | Very high | 9 Ų | 9 | 35 Ų | 35 | 4% | 0.044 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133 | 166.2 | -69.7 | 179.5 | -69.2 | 0 | 0 | 110.5 | I54 M55 V57 T74 M78 Y97 E98 | I54-M103 CarbonylContact C-O 3.51Å; I54-M103 WeakPolarHBondContact CA-O 3.33Å; M55-M103 HydrophobicContact CB-CB 4.35Å; M55-M103 HydrophobicContact CB-CE 4.44Å; M55-M103 HydrophobicContact CE-CE 4.36Å; M55-M103 PolarHBondContact N-O 3.36Å; M55-M103 PolarHBondContact O-N 3.22Å; V57-M103 HydrophobicContact CG2-CE 3.48Å; V57-M103 VanDerWaalsContact CG2-CE 3.48Å; V57-M103 HydrophobicContact CG2-CG 4.25Å; T74-M103 VanDerWaalsContact CB-CE 3.43Å; T74-M103 HydrophobicContact CG2-CE 3.21Å; T74-M103 HydrophobicContact CG2-SD 3.48Å; T74-M103 WeakPolarHBondContact CG2-SD 3.46Å; T74-M103 WeakPolarHBondContact OG1-CE 3.34Å; M78-M103 HydrophobicContact SD-SD 4.34Å; Y97-M103 WeakPolarHBondContact O-CA 3.35Å; E98-M103 HydrophobicContact CG-CG 4.43Å |
| 104 | F | 91.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 111.9 | 176.2 | -56.3 | -100.3 | 0 | 0 | 0 | 108.5 | A17 F20 V52 I54 S96 Y97 F102 | A17-F104 HydrophobicContact CB-CE2 4.42Å; A17-F104 HydrophobicContact CB-CZ 4.38Å; F20-F104 HydrophobicContact CB-CD1 4.37Å; F20-F104 HydrophobicContact CB-CG 4.25Å; F20-F104 AromaticContact CD1-CD1 3.67Å; F20-F104 HydrophobicContact CD1-CD1 3.67Å; F20-F104 AromaticContact CD1-CE1 3.85Å; F20-F104 HydrophobicContact CD1-CE1 3.85Å; F20-F104 HydrophobicContact CD1-CG 4.36Å; F20-F104 HydrophobicContact CD2-CB 4.07Å; F20-F104 HydrophobicContact CD2-CD1 4.17Å; F20-F104 HydrophobicContact CD2-CG 4.31Å; F20-F104 HydrophobicContact CE1-CD1 4.01Å; F20-F104 HydrophobicContact CE1-CE1 4.25Å; F20-F104 HydrophobicContact CE2-CD1 4.48Å; F20-F104 HydrophobicContact CG-CB 4.25Å; F20-F104 AromaticContact CG-CD1 3.77Å; F20-F104 HydrophobicContact CG-CD1 3.77Å; F20-F104 HydrophobicContact CG-CE1 4.32Å; F20-F104 HydrophobicContact CG-CG 4.01Å; F20-F104 HydrophobicContact CZ-CD1 4.42Å; V52-F104 HydrophobicContact CG2-CB 4.08Å; V52-F104 HydrophobicContact CG2-CD1 4.32Å; I54-F104 HydrophobicContact CB-CD1 4.44Å; I54-F104 HydrophobicContact CD1-CD1 4.27Å; I54-F104 HydrophobicContact CD1-CE1 4.15Å; I54-F104 HydrophobicContact CG1-CD1 3.85Å; I54-F104 HydrophobicContact CG1-CE1 4.12Å; I54-F104 HydrophobicContact CG2-CD1 4.04Å; I54-F104 HydrophobicContact CG2-CE1 3.77Å; I54-F104 HydrophobicContact CG2-CZ 4.32Å; S96-F104 CarbonylContact C-O 3.33Å; S96-F104 VanDerWaalsContact CA-O 3.3Å; S96-F104 WeakPolarHBondContact CA-O 3.38Å; Y97-F104 HydrophobicContact CD2-CB 4.21Å; Y97-F104 PolarHBondContact N-O 3.43Å; Y97-F104 PolarHBondContact O-N 2.61Å; F102-F104 HydrophobicContact CB-CD2 4.5Å; F102-F104 HydrophobicContact CB-CE2 3.76Å; F102-F104 HydrophobicContact CB-CZ 4.17Å |
| 105 | L | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.4 | 178.5 | -55.1 | 179.9 | 0 | 0 | 0 | 109 | V52 K53 M55 M78 L93 F107 | V52-L105 CarbonylContact C-O 3.56Å; V52-L105 VanDerWaalsContact CA-O 3.3Å; V52-L105 WeakPolarHBondContact CA-O 3.37Å; K53-L105 HydrophobicContact CB-CB 4.38Å; K53-L105 PolarHBondContact N-O 3.28Å; K53-L105 PolarHBondContact O-N 3.49Å; M55-L105 HydrophobicContact SD-CD1 4.13Å; M78-L105 HydrophobicContact CE-CD2 3.75Å; M78-L105 HydrophobicContact CG-CD1 4.35Å; M78-L105 HydrophobicContact CG-CD2 3.95Å; M78-L105 HydrophobicContact SD-CD2 3.67Å; L93-L105 HydrophobicContact CD1-CB 3.88Å; L93-L105 HydrophobicContact CD1-CD2 4.16Å; L105-F107 HydrophobicContact CB-CD2 4.27Å; L105-F107 HydrophobicContact CB-CE2 3.38Å; L105-F107 HydrophobicContact CB-CZ 3.69Å; L105-F107 HydrophobicContact CD1-CE2 4.41Å; L105-F107 HydrophobicContact CD1-CZ 4.18Å; L105-F107 WeakPolarHBondContact O-CD2 3.39Å; L105-F107 WeakPolarHBondContact O-CE2 3.42Å |
| 106 | V | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128.2 | -177.9 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | F20 Y24 F50 A51 V52 I94 D95 Y97 | F20-V106 HydrophobicContact CD2-CG2 4.39Å; F20-V106 HydrophobicContact CE2-CG2 4.15Å; Y24-V106 HydrophobicContact CD2-CG2 4.26Å; Y24-V106 HydrophobicContact CE1-CG1 4.02Å; Y24-V106 HydrophobicContact CE2-CG1 4.48Å; Y24-V106 HydrophobicContact CE2-CG2 3.98Å; F50-V106 HydrophobicContact CB-CG1 3.68Å; F50-V106 HydrophobicContact CD1-CG1 4.34Å; F50-V106 HydrophobicContact CG-CG1 4.01Å; A51-V106 CarbonylContact O-C 3.58Å; A51-V106 WeakPolarHBondContact O-CA 3.45Å; V52-V106 HydrophobicContact CG2-CG2 4.3Å; I94-V106 HydrophobicContact CB-CG1 4.29Å; I94-V106 PolarHBondContact N-O 2.99Å; D95-V106 HydrophobicContact CB-CB 4.08Å; D95-V106 HydrophobicContact CB-CG2 4.12Å; D95-V106 PolarHBondContact N-O 3.17Å; D95-V106 PolarHBondContact O-N 3.39Å; Y97-V106 HydrophobicContact CE2-CG2 4.4Å |
| 107 | F | 96.7 | Very high | 90.5 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 165.4 | -174.9 | -61.5 | -81.3 | 0 | 0 | 0 | 112.2 | F50 A51 K53 L81 I91 T92 L93 L105 L109 | F50-F107 WeakPolarHBondContact CB-O 3.39Å; A51-F107 PolarHBondContact N-O 3.46Å; A51-F107 PolarHBondContact O-N 2.88Å; K53-F107 HydrophobicContact CB-CD2 4.44Å; K53-F107 HydrophobicContact CB-CE2 3.95Å; K53-F107 HydrophobicContact CD-CE2 4.49Å; L81-F107 HydrophobicContact CD1-CE1 3.84Å; L81-F107 HydrophobicContact CD1-CZ 3.92Å; L81-F107 HydrophobicContact CD2-CE1 4.19Å; I91-F107 HydrophobicContact CD1-CB 4.32Å; I91-F107 HydrophobicContact CG1-CB 3.93Å; I91-F107 HydrophobicContact CG1-CD1 3.79Å; I91-F107 HydrophobicContact CG1-CG 4.14Å; I91-F107 HydrophobicContact CG2-CD1 4.22Å; I91-F107 HydrophobicContact CG2-CE1 4.35Å; T92-F107 VanDerWaalsContact O-CA 3.31Å; T92-F107 WeakPolarHBondContact O-CA 3.42Å; T92-F107 WeakPolarHBondContact O-CD1 3.26Å; L93-F107 HydrophobicContact CB-CD1 4.33Å; L93-F107 HydrophobicContact CB-CE1 3.99Å; L93-F107 HydrophobicContact CD1-CD1 4.25Å; L93-F107 HydrophobicContact CD1-CE1 3.72Å; L93-F107 HydrophobicContact CD1-CE2 4.47Å; L93-F107 HydrophobicContact CD1-CZ 3.85Å; L93-F107 HydrophobicContact CG-CE1 4.46Å; L105-F107 HydrophobicContact CB-CD2 4.27Å; L105-F107 HydrophobicContact CB-CE2 3.38Å; L105-F107 HydrophobicContact CB-CZ 3.69Å; L105-F107 HydrophobicContact CD1-CE2 4.41Å; L105-F107 HydrophobicContact CD1-CZ 4.18Å; L105-F107 WeakPolarHBondContact O-CD2 3.39Å; L105-F107 WeakPolarHBondContact O-CE2 3.42Å; F107-L109 PolarHBondContact O-N 2.95Å |
| 108 | D | 94.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 33 Ų | 33 | 19% | 0.193 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 136 | 165.4 | -63.6 | -49.2 | 0 | 0 | 0 | 111.3 | I91 T92 M110 R168 | I91-D108 HydrophobicContact CD1-CB 3.93Å; T92-D108 WeakPolarHBondContact CB-OD2 3.28Å; T92-D108 PolarHBondContact N-OD2 3.27Å; T92-D108 PolarHBondContact OG1-OD2 2.59Å; D108-M110 PolarHBondContact O-N 2.65Å; D108-R168 IonicContact OD2-CZ 2.82Å; D108-R168 IonicContact OD2-NE 3.84Å; D108-R168 IonicContact OD2-NH1 2.86Å; D108-R168 PolarHBondContact OD2-NH1 2.87Å; D108-R168 IonicContact OD2-NH2 3.33Å |
| 109 | L | 96 | Very high | 90.9 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 15% | 0.152 | 15% | 0.149 | C | C | . | . | trans | -81.3 | 112.7 | 176.2 | -179.5 | 63 | 0 | 0 | 0 | 111.5 | I30 R40 E49 A51 F107 R111 | I30-L109 HydrophobicContact CD1-CD1 3.93Å; R40-L109 HydrophobicContact CG-CD1 4.41Å; R40-L109 HydrophobicContact CG-CD2 4.02Å; E49-L109 HydrophobicContact CB-CD2 3.79Å; A51-L109 HydrophobicContact CB-CD1 4.19Å; F107-L109 PolarHBondContact O-N 2.95Å; L109-R111 HydrophobicContact CD2-CG 4.22Å; L109-R111 HydrophobicContact CG-CG 4.14Å; L109-R111 PolarHBondContact O-N 2.86Å | ||
| 110 | M | 96.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 30 Ų | 30 | 9% | 0.089 | 15% | 0.147 | C | C | . | . | trans | -95.3 | 88 | 178.2 | -57.6 | -58.7 | -73.6 | 0 | 0 | 111.1 | I91 D108 K112 G113 L160 L161 D162 R168 | I91-M110 HydrophobicContact CD1-CG 3.89Å; I91-M110 HydrophobicContact CD1-SD 4.37Å; D108-M110 PolarHBondContact O-N 2.65Å; M110-K112 VanDerWaalsContact C-N 3.29Å; M110-K112 PolarHBondContact O-N 2.82Å; M110-G113 PolarHBondContact O-N 3.13Å; M110-L160 HydrophobicContact CB-CB 3.63Å; M110-L160 HydrophobicContact CB-CD1 4.1Å; M110-L160 HydrophobicContact CB-CG 4.41Å; M110-L160 HydrophobicContact CE-CB 4.04Å; M110-L160 WeakPolarHBondContact CE-O 3.34Å; M110-L160 HydrophobicContact CG-CB 3.59Å; M110-L160 HydrophobicContact CG-CD1 3.8Å; M110-L160 HydrophobicContact CG-CG 4.35Å; M110-L161 CarbonylContact C-O 3.56Å; M110-L161 VanDerWaalsContact CE-C 3.5Å; M110-D162 HydrophobicContact CE-CB 3.91Å; M110-D162 HydrophobicContact SD-CB 4.31Å; M110-R168 HydrophobicContact CE-CB 3.74Å; M110-R168 HydrophobicContact CE-CG 3.58Å; M110-R168 HydrophobicContact SD-CB 4.3Å; M110-R168 VanDerWaalsContact SD-CD 3.54Å; M110-R168 HydrophobicContact SD-CG 4Å | ||
| 111 | R | 93.7 | Very high | 91.6 | Very high | 131 Ų | 131 | 33.7 Ų | 33.7 | 49% | 0.494 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.4 | -167.3 | -62.5 | -169.7 | -166.9 | -89.3 | -4.1 | 115.7 | E49 L109 G113 D163 | E49-R111 IonicContact OE2-CZ 3.66Å; E49-R111 IonicContact OE2-NH1 3.3Å; E49-R111 PolarHBondContact OE2-NH1 3.04Å; E49-R111 IonicContact OE2-NH2 3.18Å; E49-R111 PolarHBondContact OE2-NH2 3.41Å; L109-R111 HydrophobicContact CD2-CG 4.22Å; L109-R111 HydrophobicContact CG-CG 4.14Å; L109-R111 PolarHBondContact O-N 2.86Å; R111-G113 VanDerWaalsContact C-N 3.26Å; R111-D163 VanDerWaalsContact CD-OD2 3.24Å; R111-D163 WeakPolarHBondContact CD-OD2 3.2Å; R111-D163 IonicContact NE-OD2 2.67Å; R111-D163 PolarHBondContact NE-OD2 3.44Å |
| 112 | K | 94 | Very high | 92 | Very high | 88 Ų | 88 | 37.2 Ų | 37.2 | 38% | 0.383 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 2.7 | 176.3 | -68.4 | -164.8 | -178 | 168.8 | 0 | 113.2 | M110 L161 D162 D163 M165 | M110-K112 VanDerWaalsContact C-N 3.29Å; M110-K112 PolarHBondContact O-N 2.82Å; K112-L161 WeakPolarHBondContact CA-O 3.36Å; K112-L161 HydrophobicContact CB-CB 3.68Å; K112-L161 WeakPolarHBondContact CB-O 3.46Å; K112-L161 PolarHBondContact N-O 2.73Å; K112-D162 VanDerWaalsContact CD-O 3.3Å; K112-D162 WeakPolarHBondContact CD-O 3.48Å; K112-D162 WeakPolarHBondContact CG-O 3.4Å; K112-D163 WeakPolarHBondContact CE-O 3.21Å; K112-D163 PolarHBondContact NZ-O 3.23Å; K112-M165 HydrophobicContact CD-SD 3.5Å; K112-M165 WeakPolarHBondContact CD-SD 3.42Å; K112-M165 PolarHBondContact NZ-SD 2.99Å |
| 113 | G | 93.7 | Very high | 92.2 | Very high | 26 Ų | 26 | 34.9 Ų | 34.9 | 27% | 0.268 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 66 | -145.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M110 R111 L160 L161 | M110-G113 PolarHBondContact O-N 3.13Å; R111-G113 VanDerWaalsContact C-N 3.26Å; G113-L160 CarbonylContact O-C 3.56Å; G113-L160 VanDerWaalsContact O-CA 3.32Å; G113-L160 WeakPolarHBondContact O-CA 3.42Å; G113-L161 PolarHBondContact O-N 3.08Å |
| 114 | E | 94.8 | Very high | 92.3 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 19% | 0.192 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 142.7 | -173.8 | -57.4 | 164.7 | -141.3 | 0 | 0 | 112 | F116 D117 Y118 L160 K364 | E114-F116 HydrophobicContact CB-CB 4.35Å; E114-F116 PolarHBondContact O-N 3Å; E114-D117 PolarHBondContact O-N 2.73Å; E114-D117 VanDerWaalsContact O-N 3.15Å; E114-Y118 PolarHBondContact O-N 2.98Å; E114-Y118 VanDerWaalsContact O-N 3.14Å; E114-L160 HydrophobicContact CG-CD2 4.12Å; E114-K364 IonicContact OE1-NZ 3.44Å; E114-K364 PolarHBondContact OE1-NZ 3.29Å; E114-K364 VanDerWaalsContact OE1-NZ 3.1Å; E114-K364 IonicContact OE2-NZ 2.68Å |
| 115 | L | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -29.1 | 171.4 | 175.3 | 62.5 | 0 | 0 | 0 | 111.3 | Y118 L119 I133 P156 I159 L161 L226 | L115-Y118 HydrophobicContact CD1-CD1 4.14Å; L115-Y118 PolarHBondContact O-N 3.22Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 PolarHBondContact O-N 3.18Å; L115-I133 HydrophobicContact CD1-CD1 3.92Å; L115-I133 HydrophobicContact CD2-CG2 3.84Å; L115-P156 HydrophobicContact CB-CB 4.49Å; L115-P156 WeakPolarHBondContact CB-O 3.45Å; L115-P156 HydrophobicContact CG-CB 4.39Å; L115-P156 PolarHBondContact N-O 3.33Å; L115-I159 HydrophobicContact CB-CB 4Å; L115-I159 HydrophobicContact CB-CG2 4.1Å; L115-I159 VanDerWaalsContact CB-O 3.25Å; L115-I159 WeakPolarHBondContact CB-O 3.29Å; L115-I159 HydrophobicContact CD2-CB 4.03Å; L115-I159 HydrophobicContact CD2-CD1 4Å; L115-I159 HydrophobicContact CD2-CG2 3.83Å; L115-I159 PolarHBondContact N-O 3.46Å; L115-L161 HydrophobicContact CB-CD1 4.36Å; L115-L161 HydrophobicContact CD1-CD1 4.03Å; L115-L226 HydrophobicContact CD1-CD2 4.08Å; L115-L226 HydrophobicContact CD2-CD1 4.44Å; L115-L226 HydrophobicContact CD2-CD2 3.97Å; L115-L226 HydrophobicContact CG-CD2 4.06Å |
| 116 | F | 92.8 | Very high | 92.5 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -51 | 171.4 | -177.1 | -93.2 | 0 | 0 | 0 | 112.3 | E114 Y118 L119 T120 P156 E157 R370 | E114-F116 HydrophobicContact CB-CB 4.35Å; E114-F116 PolarHBondContact O-N 3Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-Y118 PolarHBondContact O-N 2.82Å; F116-L119 PolarHBondContact O-N 3.15Å; F116-T120 WeakPolarHBondContact O-CB 3.32Å; F116-T120 PolarHBondContact O-N 2.7Å; F116-T120 PolarHBondContact O-OG1 3.26Å; F116-P156 HydrophobicContact CB-CB 3.98Å; F116-P156 HydrophobicContact CD2-CB 4.47Å; F116-P156 PolarHBondContact N-O 2.78Å; F116-P156 VanDerWaalsContact N-O 3.1Å; F116-E157 HydrophobicContact CB-CG 3.91Å; F116-E157 HydrophobicContact CD2-CG 4.16Å; F116-E157 HydrophobicContact CG-CG 4Å; F116-R370 HydrophobicContact CE2-CB 4.38Å; F116-R370 HydrophobicContact CZ-CB 4.41Å |
| 117 | D | 89.3 | Confident | 92.4 | Very high | 51 Ų | 51 | 39 Ų | 39 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 179.5 | -74.7 | -26.3 | 0 | 0 | 0 | 110.5 | E114 T120 E121 K364 | E114-D117 PolarHBondContact O-N 2.73Å; E114-D117 VanDerWaalsContact O-N 3.15Å; D117-T120 WeakPolarHBondContact O-CA 3.45Å; D117-T120 WeakPolarHBondContact O-CB 3.48Å; D117-T120 PolarHBondContact O-N 2.97Å; D117-T120 VanDerWaalsContact O-N 3.09Å; D117-E121 PolarHBondContact O-N 2.73Å; D117-K364 IonicContact OD1-NZ 2.69Å; D117-K364 IonicContact OD2-NZ 3.59Å; D117-K364 PolarHBondContact OD2-NZ 2.95Å |
| 118 | Y | 93.4 | Very high | 92.3 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 175.2 | -178.8 | -106.4 | 0 | 0 | 0 | 112.9 | E114 L115 F116 T120 E121 K122 L125 E129 L161 M165 | E114-Y118 PolarHBondContact O-N 2.98Å; E114-Y118 VanDerWaalsContact O-N 3.14Å; L115-Y118 HydrophobicContact CD1-CD1 4.14Å; L115-Y118 PolarHBondContact O-N 3.22Å; F116-Y118 VanDerWaalsContact C-N 3.34Å; F116-Y118 PolarHBondContact O-N 2.82Å; Y118-T120 PolarHBondContact O-N 3.31Å; Y118-E121 PolarHBondContact O-N 3.05Å; Y118-K122 HydrophobicContact CD2-CG 4.43Å; Y118-K122 HydrophobicContact CE1-CG 4.08Å; Y118-K122 HydrophobicContact CE2-CD 4.45Å; Y118-K122 HydrophobicContact CE2-CG 3.98Å; Y118-K122 WeakPolarHBondContact O-CG 3.45Å; Y118-K122 PolarHBondContact O-N 2.76Å; Y118-K122 WeakPolarHBondContact OH-CE 3.46Å; Y118-L125 HydrophobicContact CD1-CD1 4.48Å; Y118-L125 HydrophobicContact CD1-CD2 4.1Å; Y118-L125 HydrophobicContact CE1-CD1 4.22Å; Y118-L125 HydrophobicContact CE1-CD2 3.58Å; Y118-E129 PolarHBondContact OH-OE1 2.91Å; Y118-L161 HydrophobicContact CD1-CD1 3.99Å; Y118-L161 HydrophobicContact CD2-CD1 4.4Å; Y118-L161 HydrophobicContact CG-CD1 3.71Å; Y118-M165 HydrophobicContact CD1-CE 3.9Å; Y118-M165 HydrophobicContact CD2-CE 3.99Å; Y118-M165 HydrophobicContact CE1-CE 3.42Å; Y118-M165 VanDerWaalsContact CE1-CE 3.42Å; Y118-M165 HydrophobicContact CE2-CE 3.52Å; Y118-M165 HydrophobicContact CE2-SD 4.1Å; Y118-M165 HydrophobicContact CG-CE 4.16Å |
| 119 | L | 91.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -35.1 | 174.3 | 178.1 | 65 | 0 | 0 | 0 | 110.9 | L115 F116 K122 V123 L125 T225 L226 R370 | L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 PolarHBondContact O-N 3.18Å; F116-L119 PolarHBondContact O-N 3.15Å; L119-K122 PolarHBondContact O-N 3.14Å; L119-V123 CarbonylContact O-C 2.71Å; L119-V123 WeakPolarHBondContact O-CA 3.27Å; L119-V123 PolarHBondContact O-N 2.88Å; L119-L125 HydrophobicContact CD1-CD2 4.44Å; L119-L125 HydrophobicContact CD1-CG 4.05Å; L119-T225 HydrophobicContact CD2-CG2 3.78Å; L119-L226 HydrophobicContact CD1-CD2 4.37Å; L119-L226 HydrophobicContact CD2-CD2 4.29Å; L119-R370 PolarHBondContact O-NH2 3.27Å |
| 120 | T | 85 | Confident | 92.4 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 178.2 | -50.1 | 0 | 0 | 0 | 0 | 113.3 | F116 D117 Y118 K122 F355 R370 | F116-T120 WeakPolarHBondContact O-CB 3.32Å; F116-T120 PolarHBondContact O-N 2.7Å; F116-T120 PolarHBondContact O-OG1 3.26Å; D117-T120 WeakPolarHBondContact O-CA 3.45Å; D117-T120 WeakPolarHBondContact O-CB 3.48Å; D117-T120 PolarHBondContact O-N 2.97Å; D117-T120 VanDerWaalsContact O-N 3.09Å; Y118-T120 PolarHBondContact O-N 3.31Å; T120-K122 VanDerWaalsContact C-N 3.33Å; T120-K122 PolarHBondContact O-N 3.47Å; T120-F355 HydrophobicContact CG2-CB 4.43Å; T120-F355 HydrophobicContact CG2-CD1 3.69Å; T120-F355 HydrophobicContact CG2-CD2 3.26Å; T120-F355 HydrophobicContact CG2-CE1 3.6Å; T120-F355 HydrophobicContact CG2-CE2 3.2Å; T120-F355 HydrophobicContact CG2-CG 3.51Å; T120-F355 HydrophobicContact CG2-CZ 3.36Å; T120-R370 VanDerWaalsContact CB-NH1 3.34Å; T120-R370 PolarHBondContact OG1-NH1 3.14Å |
| 121 | E | 87 | Confident | 92.5 | Very high | 115 Ų | 115 | 48.6 Ų | 48.6 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 172.2 | -162.6 | -158.5 | 141.7 | 0 | 0 | 113.2 | D117 Y118 N352 | D117-E121 PolarHBondContact O-N 2.73Å; Y118-E121 PolarHBondContact O-N 3.05Å; E121-N352 PolarHBondContact O-ND2 3.46Å; E121-N352 PolarHBondContact O-OD1 2.86Å |
| 122 | K | 86.4 | Confident | 92.6 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -90.1 | -12.7 | -176.5 | -64.8 | -63.8 | -179.6 | -173.3 | 0 | 114.5 | Y118 L119 T120 A124 L125 | Y118-K122 HydrophobicContact CD2-CG 4.43Å; Y118-K122 HydrophobicContact CE1-CG 4.08Å; Y118-K122 HydrophobicContact CE2-CD 4.45Å; Y118-K122 HydrophobicContact CE2-CG 3.98Å; Y118-K122 WeakPolarHBondContact O-CG 3.45Å; Y118-K122 PolarHBondContact O-N 2.76Å; Y118-K122 WeakPolarHBondContact OH-CE 3.46Å; L119-K122 PolarHBondContact O-N 3.14Å; T120-K122 VanDerWaalsContact C-N 3.33Å; T120-K122 PolarHBondContact O-N 3.47Å; K122-A124 PolarHBondContact O-N 3.44Å; K122-L125 HydrophobicContact CB-CD2 3.74Å; K122-L125 HydrophobicContact CG-CD2 4Å |
| 123 | V | 86 | Confident | 92.8 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 66.2 | -53.2 | -169.3 | -174 | 0 | 0 | 0 | 0 | 113.6 | L119 G229 D351 N352 R370 | L119-V123 CarbonylContact O-C 2.71Å; L119-V123 WeakPolarHBondContact O-CA 3.27Å; L119-V123 PolarHBondContact O-N 2.88Å; V123-G229 WeakPolarHBondContact O-CA 3.42Å; V123-D351 HydrophobicContact CG2-CB 4.07Å; V123-N352 VanDerWaalsContact CG2-OD1 3.29Å; V123-N352 WeakPolarHBondContact CG2-OD1 3.38Å; V123-R370 PolarHBondContact O-NH2 3.36Å |
| 124 | A | 89.9 | Confident | 93 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -156.3 | 146.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K122 | K122-A124 PolarHBondContact O-N 3.44Š|
| 125 | L | 93.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | trans | -91 | 158.7 | -176.3 | -56 | -171.2 | 0 | 0 | 0 | 113 | Y118 L119 K122 E129 I133 L226 R260 | Y118-L125 HydrophobicContact CD1-CD1 4.48Å; Y118-L125 HydrophobicContact CD1-CD2 4.1Å; Y118-L125 HydrophobicContact CE1-CD1 4.22Å; Y118-L125 HydrophobicContact CE1-CD2 3.58Å; L119-L125 HydrophobicContact CD1-CD2 4.44Å; L119-L125 HydrophobicContact CD1-CG 4.05Å; K122-L125 HydrophobicContact CB-CD2 3.74Å; K122-L125 HydrophobicContact CG-CD2 4Å; L125-E129 HydrophobicContact CB-CB 4.47Å; L125-I133 HydrophobicContact CD1-CD1 3.63Å; L125-L226 HydrophobicContact CD1-CB 4.41Å; L125-L226 HydrophobicContact CD1-CD2 3.88Å; L125-L226 PolarHBondContact N-O 3.15Å; L125-R260 VanDerWaalsContact O-CZ 3.3Å; L125-R260 PolarHBondContact O-NH1 3.27Å; L125-R260 PolarHBondContact O-NH2 3.15Å | ||
| 126 | S | 94.3 | Very high | 93.3 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 34% | 0.343 | 20% | 0.202 | S | C | . | . | trans | -73.5 | 153.5 | 169.7 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | K128 E129 T130 | S126-K128 PolarHBondContact O-N 3.17Å; S126-K128 VanDerWaalsContact O-N 3.15Å; S126-E129 WeakPolarHBondContact CB-OE2 3.26Å; S126-E129 PolarHBondContact N-OE2 3.49Å; S126-E129 PolarHBondContact O-N 2.79Å; S126-E129 WeakPolarHBondContact OG-CG 3.48Å; S126-E129 PolarHBondContact OG-N 2.85Å; S126-E129 PolarHBondContact OG-OE2 2.88Å; S126-T130 WeakPolarHBondContact O-CB 3.48Å; S126-T130 PolarHBondContact O-N 2.78Å; S126-T130 PolarHBondContact O-OG1 2.72Å; S126-T130 VanDerWaalsContact O-OG1 3.05Å | ||
| 127 | E | 95.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -29.1 | 175.1 | -77 | -176.8 | -141.6 | 0 | 0 | 112.5 | R131 L227 R260 S261 V264 F290 | E127-R131 WeakPolarHBondContact O-CB 3.28Å; E127-R131 PolarHBondContact O-N 3.35Å; E127-L227 HydrophobicContact CG-CD2 3.85Å; E127-R260 VanDerWaalsContact OE1-CA 3.26Å; E127-R260 WeakPolarHBondContact OE1-CA 3.41Å; E127-S261 PolarHBondContact OE1-N 3.1Å; E127-S261 PolarHBondContact OE1-OG 2.89Å; E127-S261 WeakPolarHBondContact OE2-CB 3.36Å; E127-S261 PolarHBondContact OE2-OG 3.46Å; E127-V264 HydrophobicContact CG-CG1 4.42Å; E127-F290 HydrophobicContact CB-CE2 4.47Å |
| 128 | K | 94.3 | Very high | 94 | Very high | 165 Ų | 165 | 38.2 Ų | 38.2 | 72% | 0.717 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -65.4 | -49 | 176.6 | -176.3 | -177.1 | 175.9 | -175.4 | 0 | 111.6 | S126 S132 | S126-K128 PolarHBondContact O-N 3.17Å; S126-K128 VanDerWaalsContact O-N 3.15Å; K128-S132 PolarHBondContact O-N 3.3Å |
| 129 | E | 95.1 | Very high | 94.3 | Very high | 76 Ų | 76 | 40 Ų | 40 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.1 | -47 | 177.8 | -70 | 163.8 | 130.7 | 0 | 0 | 110.8 | Y118 L125 S126 R131 S132 I133 | Y118-E129 PolarHBondContact OH-OE1 2.91Å; L125-E129 HydrophobicContact CB-CB 4.47Å; S126-E129 WeakPolarHBondContact CB-OE2 3.26Å; S126-E129 PolarHBondContact N-OE2 3.49Å; S126-E129 PolarHBondContact O-N 2.79Å; S126-E129 WeakPolarHBondContact OG-CG 3.48Å; S126-E129 PolarHBondContact OG-N 2.85Å; S126-E129 PolarHBondContact OG-OE2 2.88Å; E129-R131 VanDerWaalsContact C-N 3.28Å; E129-R131 PolarHBondContact O-N 3.42Å; E129-S132 WeakPolarHBondContact O-CB 3.33Å; E129-S132 PolarHBondContact O-N 2.88Å; E129-I133 PolarHBondContact O-N 2.8Å |
| 130 | T | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 176.5 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | S126 S132 I133 M134 L223 L226 L227 | S126-T130 WeakPolarHBondContact O-CB 3.48Å; S126-T130 PolarHBondContact O-N 2.78Å; S126-T130 PolarHBondContact O-OG1 2.72Å; S126-T130 VanDerWaalsContact O-OG1 3.05Å; T130-S132 VanDerWaalsContact C-N 3.31Å; T130-S132 PolarHBondContact O-N 3.23Å; T130-I133 PolarHBondContact O-N 3.12Å; T130-M134 HydrophobicContact CG2-CG 3.9Å; T130-M134 VanDerWaalsContact O-CB 3.26Å; T130-M134 WeakPolarHBondContact O-CB 3.18Å; T130-M134 VanDerWaalsContact O-CG 3.25Å; T130-M134 WeakPolarHBondContact O-CG 3.39Å; T130-M134 PolarHBondContact O-N 3.2Å; T130-L223 HydrophobicContact CG2-CD1 3.48Å; T130-L223 VanDerWaalsContact CG2-CD1 3.48Å; T130-L226 HydrophobicContact CG2-CB 4.06Å; T130-L226 HydrophobicContact CG2-CD1 4.13Å; T130-L227 HydrophobicContact CG2-CD1 4.39Å; T130-L227 HydrophobicContact CG2-CD2 4.07Å; T130-L227 HydrophobicContact CG2-CG 4.02Å; T130-L227 WeakPolarHBondContact OG1-CD2 3.43Å |
| 131 | R | 97.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 39.8 Ų | 39.8 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 175.9 | -176.1 | -171.7 | -64.1 | 106.6 | 3.6 | 112.4 | E127 E129 R135 F290 F291 | E127-R131 WeakPolarHBondContact O-CB 3.28Å; E127-R131 PolarHBondContact O-N 3.35Å; E129-R131 VanDerWaalsContact C-N 3.28Å; E129-R131 PolarHBondContact O-N 3.42Å; R131-R135 VanDerWaalsContact O-CB 3.32Å; R131-R135 WeakPolarHBondContact O-CB 3.41Å; R131-R135 PolarHBondContact O-N 2.83Å; R131-F290 HydrophobicContact CB-CE1 3.76Å; R131-F290 HydrophobicContact CB-CE2 4.49Å; R131-F290 HydrophobicContact CB-CZ 3.7Å; R131-F290 VanDerWaalsContact CD-O 3.27Å; R131-F290 WeakPolarHBondContact CD-O 3.3Å; R131-F290 HydrophobicContact CG-CD1 4.35Å; R131-F290 HydrophobicContact CG-CE1 4Å; R131-F290 HydrophobicContact CG-CZ 4.28Å; R131-F290 PolarHBondContact NE-O 3.41Å; R131-F291 HydrophobicContact CG-CD1 3.86Å; R131-F291 HydrophobicContact CG-CE1 4.29Å |
| 132 | S | 96.4 | Very high | 95.8 | Very high | 53 Ų | 53 | 37 Ų | 37 | 37% | 0.371 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.1 | -49.8 | 178.2 | -161.8 | 0 | 0 | 0 | 0 | 110.9 | K128 E129 T130 R135 S136 | K128-S132 PolarHBondContact O-N 3.3Å; E129-S132 WeakPolarHBondContact O-CB 3.33Å; E129-S132 PolarHBondContact O-N 2.88Å; T130-S132 VanDerWaalsContact C-N 3.31Å; T130-S132 PolarHBondContact O-N 3.23Å; S132-R135 PolarHBondContact O-N 2.79Å; S132-S136 PolarHBondContact O-N 3.32Å; S132-S136 PolarHBondContact O-OG 3.35Å |
| 133 | I | 98.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -49.1 | -179.6 | -71.2 | 163.3 | 0 | 0 | 0 | 110.9 | L115 L125 E129 T130 R135 S136 L137 I167 L226 | L115-I133 HydrophobicContact CD1-CD1 3.92Å; L115-I133 HydrophobicContact CD2-CG2 3.84Å; L125-I133 HydrophobicContact CD1-CD1 3.63Å; E129-I133 PolarHBondContact O-N 2.8Å; T130-I133 PolarHBondContact O-N 3.12Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.05Å; I133-S136 PolarHBondContact O-N 3.38Å; I133-L137 WeakPolarHBondContact O-CB 3.1Å; I133-L137 PolarHBondContact O-N 3.33Å; I133-I167 HydrophobicContact CG1-CG2 4.19Å; I133-I167 HydrophobicContact CG2-CG2 4.11Å; I133-L226 HydrophobicContact CG2-CD1 3.91Å |
| 134 | M | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -30.4 | -176.9 | -70 | -59.3 | -49.6 | 0 | 0 | 113 | T130 L137 L138 C219 I222 L223 L226 F291 | T130-M134 HydrophobicContact CG2-CG 3.9Å; T130-M134 VanDerWaalsContact O-CB 3.26Å; T130-M134 WeakPolarHBondContact O-CB 3.18Å; T130-M134 VanDerWaalsContact O-CG 3.25Å; T130-M134 WeakPolarHBondContact O-CG 3.39Å; T130-M134 PolarHBondContact O-N 3.2Å; M134-L137 HydrophobicContact CE-CD2 3.95Å; M134-L137 HydrophobicContact SD-CD2 4.02Å; M134-L138 WeakPolarHBondContact O-CB 3.13Å; M134-L138 VanDerWaalsContact O-CG 3.28Å; M134-L138 WeakPolarHBondContact O-CG 3.34Å; M134-L138 PolarHBondContact O-N 3.25Å; M134-C219 HydrophobicContact CE-CB 4.11Å; M134-C219 WeakPolarHBondContact CE-O 3.49Å; M134-I222 HydrophobicContact SD-CG2 3.93Å; M134-L223 HydrophobicContact CE-CB 3.97Å; M134-L223 HydrophobicContact CG-CB 4.35Å; M134-L223 HydrophobicContact CG-CD1 3.87Å; M134-L223 HydrophobicContact SD-CB 4.04Å; M134-L226 HydrophobicContact CG-CD1 4.3Å; M134-L226 HydrophobicContact SD-CD1 4.04Å; M134-F291 HydrophobicContact CB-CE1 3.99Å; M134-F291 HydrophobicContact CB-CZ 3.97Å |
| 135 | R | 98.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 35 Ų | 35 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.5 | -53.4 | 173.4 | -178.9 | 178.5 | -64.2 | 114.6 | -3.4 | 109.9 | R131 S132 I133 L137 L138 E139 L286 F291 | R131-R135 VanDerWaalsContact O-CB 3.32Å; R131-R135 WeakPolarHBondContact O-CB 3.41Å; R131-R135 PolarHBondContact O-N 2.83Å; S132-R135 PolarHBondContact O-N 2.79Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.05Å; R135-L137 VanDerWaalsContact C-N 3.27Å; R135-L137 PolarHBondContact O-N 3.44Å; R135-L138 PolarHBondContact O-N 3Å; R135-E139 WeakPolarHBondContact CD-OE1 3.43Å; R135-E139 HydrophobicContact CG-CG 4.42Å; R135-E139 VanDerWaalsContact CG-OE1 3.28Å; R135-E139 WeakPolarHBondContact CG-OE1 3.39Å; R135-E139 WeakPolarHBondContact O-CB 3.37Å; R135-E139 WeakPolarHBondContact O-CG 3.41Å; R135-E139 PolarHBondContact O-N 2.91Å; R135-L286 HydrophobicContact CG-CD2 4.02Å; R135-F291 HydrophobicContact CB-CD1 3.85Å; R135-F291 HydrophobicContact CB-CE1 3.91Å; R135-F291 HydrophobicContact CG-CD1 4.47Å; R135-F291 PolarHBondContact NH2-O 2.95Å |
| 136 | S | 98.5 | Very high | 97.6 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -36.7 | 179.1 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | H89 S132 I133 A140 I167 | H89-S136 VanDerWaalsContact CD2-CB 3.49Å; H89-S136 WeakPolarHBondContact CD2-CB 3.45Å; H89-S136 PolarHBondContact CE1-OG 2.93Å; H89-S136 PolarHBondContact NE2-OG 2.85Å; H89-S136 VanDerWaalsContact NE2-OG 3.07Å; S132-S136 PolarHBondContact O-N 3.32Å; S132-S136 PolarHBondContact O-OG 3.35Å; I133-S136 PolarHBondContact O-N 3.38Å; S136-A140 PolarHBondContact O-N 3.36Å; S136-I167 VanDerWaalsContact CB-CG1 3.48Å |
| 137 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -48.6 | 176.1 | 179.7 | 61.8 | 0 | 0 | 0 | 111.2 | I133 M134 R135 E139 A140 V141 I159 I167 L169 I222 | I133-L137 WeakPolarHBondContact O-CB 3.1Å; I133-L137 PolarHBondContact O-N 3.33Å; M134-L137 HydrophobicContact CE-CD2 3.95Å; M134-L137 HydrophobicContact SD-CD2 4.02Å; R135-L137 VanDerWaalsContact C-N 3.27Å; R135-L137 PolarHBondContact O-N 3.44Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 2.69Å; L137-A140 WeakPolarHBondContact O-CB 3.49Å; L137-A140 PolarHBondContact O-N 3.32Å; L137-V141 HydrophobicContact CD1-CG2 4.38Å; L137-V141 WeakPolarHBondContact O-CG2 3.15Å; L137-V141 PolarHBondContact O-N 2.68Å; L137-I159 HydrophobicContact CD1-CD1 3.9Å; L137-I159 HydrophobicContact CD1-CG1 4.3Å; L137-I159 HydrophobicContact CD2-CD1 3.84Å; L137-I159 HydrophobicContact CG-CD1 4.46Å; L137-I167 HydrophobicContact CB-CD1 3.9Å; L137-I167 HydrophobicContact CD1-CD1 4.44Å; L137-L169 HydrophobicContact CD1-CD1 4.49Å; L137-I222 HydrophobicContact CD2-CD1 3.99Å; L137-I222 HydrophobicContact CD2-CG2 4.29Å |
| 138 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.8 | -33 | 178.8 | -71.3 | 168.8 | 0 | 0 | 0 | 112.2 | M134 R135 V141 N142 L216 C219 A285 L286 F291 | M134-L138 WeakPolarHBondContact O-CB 3.13Å; M134-L138 VanDerWaalsContact O-CG 3.28Å; M134-L138 WeakPolarHBondContact O-CG 3.34Å; M134-L138 PolarHBondContact O-N 3.25Å; R135-L138 PolarHBondContact O-N 3Å; L138-V141 PolarHBondContact O-N 3.44Å; L138-N142 WeakPolarHBondContact O-CB 3.5Å; L138-N142 PolarHBondContact O-N 2.9Å; L138-L216 HydrophobicContact CD2-CD1 3.77Å; L138-C219 HydrophobicContact CD2-CB 4.24Å; L138-A285 HydrophobicContact CD1-CB 3.84Å; L138-A285 HydrophobicContact CD2-CB 4.12Å; L138-L286 HydrophobicContact CB-CD1 4.39Å; L138-L286 HydrophobicContact CB-CD2 3.73Å; L138-L286 HydrophobicContact CB-CG 3.84Å; L138-F291 HydrophobicContact CD1-CE2 3.54Å; L138-F291 HydrophobicContact CD1-CZ 3.47Å; L138-F291 VanDerWaalsContact CD1-CZ 3.47Å |
| 139 | E | 98.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 31.8 Ų | 31.8 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 171.5 | -76.1 | 166.9 | -179.9 | 0 | 0 | 111.3 | H89 R135 L137 N142 F143 L286 | H89-E139 IonicContact CD2-OE2 2.86Å; H89-E139 PolarHBondContact CD2-OE2 3.43Å; H89-E139 IonicContact NE2-OE2 3.94Å; H89-E139 PolarHBondContact NE2-OE2 3.28Å; R135-E139 WeakPolarHBondContact CD-OE1 3.43Å; R135-E139 HydrophobicContact CG-CG 4.42Å; R135-E139 VanDerWaalsContact CG-OE1 3.28Å; R135-E139 WeakPolarHBondContact CG-OE1 3.39Å; R135-E139 WeakPolarHBondContact O-CB 3.37Å; R135-E139 WeakPolarHBondContact O-CG 3.41Å; R135-E139 PolarHBondContact O-N 2.91Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 2.69Å; E139-N142 PolarHBondContact O-N 3.47Å; E139-F143 WeakPolarHBondContact O-CB 3.4Å; E139-F143 PolarHBondContact O-N 2.93Å; E139-L286 HydrophobicContact CG-CD1 4.07Å; E139-L286 HydrophobicContact CG-CD2 3.94Å |
| 140 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | H89 I90 S136 L137 N142 F143 L144 L169 | H89-A140 HydrophobicContact CB-CB 4.04Å; I90-A140 HydrophobicContact CD1-CB 4.37Å; I90-A140 HydrophobicContact CG1-CB 3.92Å; S136-A140 PolarHBondContact O-N 3.36Å; L137-A140 WeakPolarHBondContact O-CB 3.49Å; L137-A140 PolarHBondContact O-N 3.32Å; A140-N142 PolarHBondContact O-N 2.84Å; A140-F143 WeakPolarHBondContact O-CB 3.19Å; A140-F143 PolarHBondContact O-N 2.8Å; A140-L144 WeakPolarHBondContact O-CG 3.5Å; A140-L144 PolarHBondContact O-N 2.83Å; A140-L169 HydrophobicContact CB-CD2 4.46Å |
| 141 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L137 L138 F143 L144 H145 L154 D215 L216 A282 | L137-V141 HydrophobicContact CD1-CG2 4.38Å; L137-V141 WeakPolarHBondContact O-CG2 3.15Å; L137-V141 PolarHBondContact O-N 2.68Å; L138-V141 PolarHBondContact O-N 3.44Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 3.37Å; V141-L144 PolarHBondContact O-N 2.95Å; V141-H145 VanDerWaalsContact CG1-CE1 3.47Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.32Å; V141-H145 WeakPolarHBondContact O-CB 3.25Å; V141-H145 PolarHBondContact O-CD2 3.29Å; V141-H145 VanDerWaalsContact O-CG 3.29Å; V141-H145 PolarHBondContact O-N 3.47Å; V141-L154 HydrophobicContact CG2-CD1 3.69Å; V141-D215 HydrophobicContact CG1-CB 4.12Å; V141-L216 HydrophobicContact CG1-CD2 4.09Å; V141-A282 HydrophobicContact CG1-CB 4.15Å |
| 142 | N | 98.7 | Very high | 98.3 | Very high | 56 Ų | 56 | 25.8 Ų | 25.8 | 30% | 0.299 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 175.9 | -170 | 59.1 | 0 | 0 | 0 | 111.6 | L138 E139 A140 H145 A146 A282 E283 L286 | L138-N142 WeakPolarHBondContact O-CB 3.5Å; L138-N142 PolarHBondContact O-N 2.9Å; E139-N142 PolarHBondContact O-N 3.47Å; A140-N142 PolarHBondContact O-N 2.84Å; N142-H145 PolarHBondContact O-N 3.04Å; N142-A146 WeakPolarHBondContact O-CB 3.27Å; N142-A146 PolarHBondContact O-N 3.32Å; N142-A282 HydrophobicContact CB-CB 3.69Å; N142-E283 PolarHBondContact OD1-N 2.9Å; N142-L286 HydrophobicContact CB-CD1 4.3Å |
| 143 | F | 98.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 23.4 Ų | 23.4 | 26% | 0.259 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.1 | 174 | -95.3 | 0 | 0 | 0 | 112.3 | V84 H87 I90 E139 A140 V141 H145 A146 N147 | V84-F143 HydrophobicContact CB-CE1 3.95Å; V84-F143 HydrophobicContact CG1-CE1 4.15Å; H87-F143 HydrophobicContact CB-CD1 4.08Å; H87-F143 HydrophobicContact CB-CE1 4.04Å; H87-F143 HydrophobicContact CB-CG 4.5Å; H87-F143 HydrophobicContact CB-CZ 4.43Å; H87-F143 AromaticContact CD2-CD1 3.85Å; H87-F143 AromaticContact CD2-CD2 3.74Å; H87-F143 AromaticContact CD2-CG 3.44Å; H87-F143 VanDerWaalsContact CD2-CG 3.44Å; H87-F143 WeakPolarHBondContact CD2-CG 3.08Å; I90-F143 HydrophobicContact CD1-CD1 3.68Å; I90-F143 HydrophobicContact CD1-CE1 4.14Å; E139-F143 WeakPolarHBondContact O-CB 3.4Å; E139-F143 PolarHBondContact O-N 2.93Å; A140-F143 WeakPolarHBondContact O-CB 3.19Å; A140-F143 PolarHBondContact O-N 2.8Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 3.37Å; F143-H145 PolarHBondContact O-N 2.84Å; F143-A146 PolarHBondContact O-N 2.85Å; F143-N147 WeakPolarHBondContact CE2-ND2 3.49Å; F143-N147 PolarHBondContact O-N 3.47Å; F143-N147 PolarHBondContact O-ND2 2.71Å |
| 144 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 175.2 | -67.4 | -179.5 | 0 | 0 | 0 | 111.4 | V84 I90 A140 V141 A146 N147 N148 I149 H151 L169 F172 | V84-L144 HydrophobicContact CB-CD2 4.29Å; V84-L144 HydrophobicContact CG1-CD2 3.49Å; V84-L144 VanDerWaalsContact CG1-CD2 3.49Å; I90-L144 HydrophobicContact CD1-CD2 3.79Å; I90-L144 HydrophobicContact CD1-CG 4.13Å; A140-L144 WeakPolarHBondContact O-CG 3.5Å; A140-L144 PolarHBondContact O-N 2.83Å; V141-L144 PolarHBondContact O-N 2.95Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 3.39Å; L144-N147 CarbonylContact O-C 3.48Å; L144-N147 WeakPolarHBondContact O-CA 3.25Å; L144-N147 PolarHBondContact O-N 3.48Å; L144-N148 PolarHBondContact O-N 2.78Å; L144-I149 CarbonylContact C-O 3.4Å; L144-I149 HydrophobicContact CB-CB 4.29Å; L144-I149 HydrophobicContact CB-CG2 4.5Å; L144-I149 HydrophobicContact CD2-CB 4.38Å; L144-I149 HydrophobicContact CD2-CD1 4.49Å; L144-I149 HydrophobicContact CD2-CG2 4.16Å; L144-I149 PolarHBondContact O-N 2.87Å; L144-H151 HydrophobicContact CD1-CB 4.27Å; L144-L169 HydrophobicContact CD1-CD2 3.81Å; L144-F172 HydrophobicContact CD1-CE1 3.85Å; L144-F172 HydrophobicContact CD1-CZ 4.35Å; L144-F172 HydrophobicContact CD2-CE1 3.74Å; L144-F172 HydrophobicContact CD2-CZ 4.3Å; L144-F172 HydrophobicContact CG-CE1 4.45Å |
| 145 | H | 98.4 | Very high | 98.3 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 11% | 0.111 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -35.3 | -177 | -71.2 | -169.9 | 0 | 0 | 0 | 112.3 | V141 N142 F143 N147 N148 I149 K212 D215 L216 | V141-H145 VanDerWaalsContact CG1-CE1 3.47Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.32Å; V141-H145 WeakPolarHBondContact O-CB 3.25Å; V141-H145 PolarHBondContact O-CD2 3.29Å; V141-H145 VanDerWaalsContact O-CG 3.29Å; V141-H145 PolarHBondContact O-N 3.47Å; N142-H145 PolarHBondContact O-N 3.04Å; F143-H145 PolarHBondContact O-N 2.84Å; H145-N147 PolarHBondContact O-N 2.84Å; H145-N148 PolarHBondContact O-N 2.87Å; H145-N148 VanDerWaalsContact O-N 3.16Å; H145-I149 PolarHBondContact CD2-O 3.44Å; H145-I149 VanDerWaalsContact CD2-O 3.3Å; H145-K212 HydrophobicContact CB-CD 3.98Å; H145-K212 PolarHBondContact CE1-O 3.41Å; H145-K212 PolarHBondContact NE2-O 3.04Å; H145-K212 PolarHBondContact O-NZ 3.37Å; H145-D215 IonicContact CD2-OD2 3.46Å; H145-D215 IonicContact CE1-OD2 3.84Å; H145-D215 IonicContact NE2-OD2 3.43Å; H145-D215 PolarHBondContact NE2-OD2 3.05Å; H145-L216 WeakPolarHBondContact CE1-CD2 3.48Å |
| 146 | A | 97.8 | Very high | 98.2 | Very high | 76 Ų | 76 | 21.2 Ų | 21.2 | 63% | 0.628 | 12% | 0.117 | S | C | * | . | H | α-helix | trans | -65.8 | -26.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | N142 F143 L144 N148 | N142-A146 WeakPolarHBondContact O-CB 3.27Å; N142-A146 PolarHBondContact O-N 3.32Å; F143-A146 PolarHBondContact O-N 2.85Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 3.39Å; A146-N148 VanDerWaalsContact C-N 3.33Å |
| 147 | N | 97.7 | Very high | 98 | Very high | 69 Ų | 69 | 23.2 Ų | 23.2 | 37% | 0.369 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 17.3 | 174.2 | -71.1 | -82.6 | 0 | 0 | 0 | 112.9 | F143 L144 H145 I149 | F143-N147 WeakPolarHBondContact CE2-ND2 3.49Å; F143-N147 PolarHBondContact O-N 3.47Å; F143-N147 PolarHBondContact O-ND2 2.71Å; L144-N147 CarbonylContact O-C 3.48Å; L144-N147 WeakPolarHBondContact O-CA 3.25Å; L144-N147 PolarHBondContact O-N 3.48Å; H145-N147 PolarHBondContact O-N 2.84Å; N147-I149 HydrophobicContact CB-CD1 4.05Å; N147-I149 PolarHBondContact O-N 3.41Å |
| 148 | N | 98 | Very high | 97.9 | Very high | 37 Ų | 37 | 23.7 Ų | 23.7 | 20% | 0.198 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 28 | -177.8 | -65.4 | -27.6 | 0 | 0 | 0 | 114.6 | L144 H145 A146 H177 L178 E179 K212 | L144-N148 PolarHBondContact O-N 2.78Å; H145-N148 PolarHBondContact O-N 2.87Å; H145-N148 VanDerWaalsContact O-N 3.16Å; A146-N148 VanDerWaalsContact C-N 3.33Å; N148-H177 CarbonylContact O-C 3.55Å; N148-H177 VanDerWaalsContact O-CA 3.26Å; N148-H177 WeakPolarHBondContact O-CA 3.26Å; N148-L178 WeakPolarHBondContact CB-O 3.39Å; N148-L178 PolarHBondContact O-N 2.87Å; N148-E179 PolarHBondContact ND2-OE2 2.76Å; N148-K212 PolarHBondContact OD1-NZ 2.84Å |
| 149 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.7 | 176.7 | -62.4 | 158.2 | 0 | 0 | 0 | 109 | I80 V84 L144 H145 N147 C176 | I80-I149 HydrophobicContact CG2-CD1 4.25Å; I80-I149 HydrophobicContact CG2-CG2 4.1Å; V84-I149 HydrophobicContact CG1-CD1 3.62Å; L144-I149 CarbonylContact C-O 3.4Å; L144-I149 HydrophobicContact CB-CB 4.29Å; L144-I149 HydrophobicContact CB-CG2 4.5Å; L144-I149 HydrophobicContact CD2-CB 4.38Å; L144-I149 HydrophobicContact CD2-CD1 4.49Å; L144-I149 HydrophobicContact CD2-CG2 4.16Å; L144-I149 PolarHBondContact O-N 2.87Å; H145-I149 PolarHBondContact CD2-O 3.44Å; H145-I149 VanDerWaalsContact CD2-O 3.3Å; N147-I149 HydrophobicContact CB-CD1 4.05Å; N147-I149 PolarHBondContact O-N 3.41Å; I149-C176 WeakPolarHBondContact CA-O 2.93Å |
| 150 | V | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.8 | 169.6 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | R152 S175 C176 L178 L184 K212 V214 D215 | V150-R152 HydrophobicContact CB-CG 4.36Å; V150-R152 HydrophobicContact CG1-CG 3.93Å; V150-R152 HydrophobicContact CG2-CG 3.72Å; V150-S175 VanDerWaalsContact O-CA 3.23Å; V150-S175 WeakPolarHBondContact O-CA 3.46Å; V150-S175 WeakPolarHBondContact O-CB 3.35Å; V150-C176 PolarHBondContact N-O 3.38Å; V150-C176 PolarHBondContact O-N 3.34Å; V150-L178 HydrophobicContact CG1-CB 4.28Å; V150-L184 HydrophobicContact CG1-CD1 3.77Å; V150-K212 HydrophobicContact CB-CG 4.5Å; V150-V214 HydrophobicContact CG2-CG2 3.95Å; V150-D215 WeakPolarHBondContact CG2-OD2 3.45Å |
| 151 | H | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -81.6 | -43 | -173.2 | -171.4 | -75.8 | 0 | 0 | 0 | 112.9 | L144 D153 L154 S170 D171 F172 F174 S175 D215 | L144-H151 HydrophobicContact CD1-CB 4.27Å; H151-D153 PolarHBondContact CE1-O 2.85Å; H151-D153 VanDerWaalsContact ND1-C 3.33Å; H151-D153 PolarHBondContact ND1-N 3.4Å; H151-D153 PolarHBondContact O-N 3.17Å; H151-L154 HydrophobicContact CB-CD2 3.89Å; H151-L154 HydrophobicContact CB-CG 4Å; H151-L154 VanDerWaalsContact CG-CD2 3.5Å; H151-L154 PolarHBondContact ND1-N 3.31Å; H151-S170 PolarHBondContact NE2-O 3.46Å; H151-D171 PolarHBondContact CE1-O 3.07Å; H151-D171 PolarHBondContact NE2-O 3.36Å; H151-F172 AromaticContact CD2-CE1 3.88Å; H151-F174 CarbonylContact O-C 3.47Å; H151-S175 WeakPolarHBondContact CA-OG 3.46Å; H151-S175 PolarHBondContact O-OG 3.3Å; H151-D215 PolarHBondContact N-OD1 3.36Å; H151-D215 PolarHBondContact N-OD2 3.28Å | ||
| 152 | R | 97.4 | Very high | 97.5 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 67.7 | -15.9 | 176.5 | -54.2 | -168 | -68.3 | 166.7 | 3.3 | 117.3 | V150 F174 E186 C188 Y210 D215 | V150-R152 HydrophobicContact CB-CG 4.36Å; V150-R152 HydrophobicContact CG1-CG 3.93Å; V150-R152 HydrophobicContact CG2-CG 3.72Å; R152-F174 HydrophobicContact CB-CB 4.36Å; R152-F174 PolarHBondContact NE-O 3.15Å; R152-F174 PolarHBondContact NH2-O 2.85Å; R152-E186 IonicContact CZ-OE2 3.41Å; R152-E186 IonicContact NH1-OE2 2.75Å; R152-E186 PolarHBondContact NH1-OE2 3.34Å; R152-E186 IonicContact NH2-OE2 3.16Å; R152-E186 PolarHBondContact NH2-OE2 2.94Å; R152-E186 VanDerWaalsContact NH2-OE2 3.16Å; R152-C188 VanDerWaalsContact CZ-SG 3.54Å; R152-C188 PolarHBondContact NH1-SG 2.87Å; R152-Y210 PolarHBondContact NH1-OH 3.09Å; R152-D215 PolarHBondContact N-OD1 2.95Å |
| 153 | D | 96.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | trans | -130.5 | 51.2 | 174.3 | -165.1 | 41.5 | 0 | 0 | 0 | 113.5 | H151 K155 N158 F174 G189 T190 | H151-D153 PolarHBondContact CE1-O 2.85Å; H151-D153 VanDerWaalsContact ND1-C 3.33Å; H151-D153 PolarHBondContact ND1-N 3.4Å; H151-D153 PolarHBondContact O-N 3.17Å; D153-K155 PolarHBondContact O-N 3.46Å; D153-K155 IonicContact OD1-NZ 3.53Å; D153-K155 PolarHBondContact OD1-NZ 2.84Å; D153-K155 WeakPolarHBondContact OD2-CE 3.31Å; D153-K155 IonicContact OD2-NZ 3.52Å; D153-K155 PolarHBondContact OD2-NZ 3.49Å; D153-N158 PolarHBondContact O-ND2 3.4Å; D153-N158 PolarHBondContact OD2-ND2 3.27Å; D153-N158 VanDerWaalsContact OD2-ND2 3.12Å; D153-F174 HydrophobicContact CB-CB 4.26Å; D153-F174 HydrophobicContact CB-CD2 3.63Å; D153-F174 HydrophobicContact CB-CE2 4.44Å; D153-F174 HydrophobicContact CB-CG 4.31Å; D153-G189 WeakPolarHBondContact OD1-CA 3.39Å; D153-T190 WeakPolarHBondContact OD1-CB 3.41Å; D153-T190 PolarHBondContact OD1-N 3.1Å; D153-T190 PolarHBondContact OD1-OG1 3.16Å | ||
| 154 | L | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -73.9 | 120.2 | 174.8 | -66.8 | 179.8 | 0 | 0 | 0 | 111.1 | V141 H151 L169 D215 A218 I222 | V141-L154 HydrophobicContact CG2-CD1 3.69Å; H151-L154 HydrophobicContact CB-CD2 3.89Å; H151-L154 HydrophobicContact CB-CG 4Å; H151-L154 VanDerWaalsContact CG-CD2 3.5Å; H151-L154 PolarHBondContact ND1-N 3.31Å; L154-L169 HydrophobicContact CD2-CD1 3.45Å; L154-L169 VanDerWaalsContact CD2-CD1 3.45Å; L154-L169 HydrophobicContact CD2-CD2 3.8Å; L154-L169 HydrophobicContact CD2-CG 4.26Å; L154-D215 HydrophobicContact CD1-CB 3.61Å; L154-D215 WeakPolarHBondContact CD1-O 3.3Å; L154-A218 HydrophobicContact CB-CB 3.75Å; L154-I222 HydrophobicContact CB-CD1 4.17Å | ||
| 155 | K | 97 | Very high | 96.5 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | trans | -157.3 | 160.3 | 177.6 | 62.7 | -169.7 | -177.5 | -149.3 | 0 | 111.1 | D153 E157 N158 T190 Y193 | D153-K155 PolarHBondContact O-N 3.46Å; D153-K155 IonicContact OD1-NZ 3.53Å; D153-K155 PolarHBondContact OD1-NZ 2.84Å; D153-K155 WeakPolarHBondContact OD2-CE 3.31Å; D153-K155 IonicContact OD2-NZ 3.52Å; D153-K155 PolarHBondContact OD2-NZ 3.49Å; K155-E157 WeakPolarHBondContact CB-OE2 3.03Å; K155-E157 HydrophobicContact CD-CB 4.32Å; K155-E157 HydrophobicContact CG-CB 4.09Å; K155-E157 WeakPolarHBondContact CG-OE2 3.34Å; K155-E157 PolarHBondContact O-N 3.42Å; K155-E157 VanDerWaalsContact O-N 3.16Å; K155-N158 WeakPolarHBondContact CE-ND2 3.34Å; K155-N158 VanDerWaalsContact CE-OD1 3.31Å; K155-N158 WeakPolarHBondContact CE-OD1 3.46Å; K155-N158 HydrophobicContact CG-CB 4.11Å; K155-N158 PolarHBondContact O-N 3.01Å; K155-T190 HydrophobicContact CD-CG2 4.37Å; K155-T190 VanDerWaalsContact CD-OG1 3.25Å; K155-T190 WeakPolarHBondContact CD-OG1 3.32Å; K155-T190 PolarHBondContact NZ-OG1 3.05Å; K155-Y193 HydrophobicContact CB-CD1 4.27Å; K155-Y193 HydrophobicContact CB-CD2 3.82Å; K155-Y193 HydrophobicContact CB-CE1 4.16Å; K155-Y193 HydrophobicContact CB-CE2 3.66Å; K155-Y193 HydrophobicContact CB-CG 4.13Å | ||
| 156 | P | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -57.7 | -25.8 | 179.9 | -25.4 | 36.5 | 0 | 0 | 0 | 114.8 | L115 F116 N158 I159 Y193 I222 | L115-P156 HydrophobicContact CB-CB 4.49Å; L115-P156 WeakPolarHBondContact CB-O 3.45Å; L115-P156 HydrophobicContact CG-CB 4.39Å; L115-P156 PolarHBondContact N-O 3.33Å; F116-P156 HydrophobicContact CB-CB 3.98Å; F116-P156 HydrophobicContact CD2-CB 4.47Å; F116-P156 PolarHBondContact N-O 2.78Å; F116-P156 VanDerWaalsContact N-O 3.1Å; P156-N158 VanDerWaalsContact C-N 3.29Å; P156-I159 PolarHBondContact O-N 2.88Å; P156-Y193 VanDerWaalsContact CD-CZ 3.44Å; P156-Y193 WeakPolarHBondContact CD-OH 3.44Å; P156-I222 HydrophobicContact CG-CG1 4.36Å |
| 157 | E | 94.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -67 | -31.6 | 175.3 | -60.4 | 86.5 | 155.9 | 0 | 0 | 111.5 | F116 K155 I159 | F116-E157 HydrophobicContact CB-CG 3.91Å; F116-E157 HydrophobicContact CD2-CG 4.16Å; F116-E157 HydrophobicContact CG-CG 4Å; K155-E157 WeakPolarHBondContact CB-OE2 3.03Å; K155-E157 HydrophobicContact CD-CB 4.32Å; K155-E157 HydrophobicContact CG-CB 4.09Å; K155-E157 WeakPolarHBondContact CG-OE2 3.34Å; K155-E157 PolarHBondContact O-N 3.42Å; K155-E157 VanDerWaalsContact O-N 3.16Å; E157-I159 VanDerWaalsContact C-N 3.35Å |
| 158 | N | 96.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -92.3 | 5.2 | -178.3 | -68.3 | 1 | 0 | 0 | 0 | 112.7 | D153 K155 P156 S170 D171 | D153-N158 PolarHBondContact O-ND2 3.4Å; D153-N158 PolarHBondContact OD2-ND2 3.27Å; D153-N158 VanDerWaalsContact OD2-ND2 3.12Å; K155-N158 WeakPolarHBondContact CE-ND2 3.34Å; K155-N158 VanDerWaalsContact CE-OD1 3.31Å; K155-N158 WeakPolarHBondContact CE-OD1 3.46Å; K155-N158 HydrophobicContact CG-CB 4.11Å; K155-N158 PolarHBondContact O-N 3.01Å; P156-N158 VanDerWaalsContact C-N 3.29Å; N158-S170 PolarHBondContact O-N 3.3Å; N158-S170 PolarHBondContact O-OG 2.96Å; N158-D171 HydrophobicContact CB-CB 4.33Å |
| 159 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 113.8 | 177.1 | -59.9 | 167.2 | 0 | 0 | 0 | 108.2 | L115 L137 P156 E157 I167 L169 I222 | L115-I159 HydrophobicContact CB-CB 4Å; L115-I159 HydrophobicContact CB-CG2 4.1Å; L115-I159 VanDerWaalsContact CB-O 3.25Å; L115-I159 WeakPolarHBondContact CB-O 3.29Å; L115-I159 HydrophobicContact CD2-CB 4.03Å; L115-I159 HydrophobicContact CD2-CD1 4Å; L115-I159 HydrophobicContact CD2-CG2 3.83Å; L115-I159 PolarHBondContact N-O 3.46Å; L137-I159 HydrophobicContact CD1-CD1 3.9Å; L137-I159 HydrophobicContact CD1-CG1 4.3Å; L137-I159 HydrophobicContact CD2-CD1 3.84Å; L137-I159 HydrophobicContact CG-CD1 4.46Å; P156-I159 PolarHBondContact O-N 2.88Å; E157-I159 VanDerWaalsContact C-N 3.35Å; I159-I167 HydrophobicContact CG2-CB 3.67Å; I159-I167 HydrophobicContact CG2-CD1 3.92Å; I159-I167 HydrophobicContact CG2-CG1 4.44Å; I159-I167 HydrophobicContact CG2-CG2 3.67Å; I159-L169 HydrophobicContact CG1-CD1 4.3Å; I159-I222 HydrophobicContact CD1-CD1 4.04Å; I159-I222 HydrophobicContact CD1-CG2 4.45Å |
| 160 | L | 97.5 | Very high | 96.2 | Very high | 36 Ų | 36 | 28 Ų | 28 | 19% | 0.188 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 152.5 | -176.4 | -58.1 | 177 | 0 | 0 | 0 | 111.9 | I91 M110 G113 E114 I167 R168 | I91-L160 HydrophobicContact CD1-CD1 4.35Å; M110-L160 HydrophobicContact CB-CB 3.63Å; M110-L160 HydrophobicContact CB-CD1 4.1Å; M110-L160 HydrophobicContact CB-CG 4.41Å; M110-L160 HydrophobicContact CE-CB 4.04Å; M110-L160 WeakPolarHBondContact CE-O 3.34Å; M110-L160 HydrophobicContact CG-CB 3.59Å; M110-L160 HydrophobicContact CG-CD1 3.8Å; M110-L160 HydrophobicContact CG-CG 4.35Å; G113-L160 CarbonylContact O-C 3.56Å; G113-L160 VanDerWaalsContact O-CA 3.32Å; G113-L160 WeakPolarHBondContact O-CA 3.42Å; E114-L160 HydrophobicContact CG-CD2 4.12Å; L160-I167 CarbonylContact O-C 3.54Å; L160-I167 WeakPolarHBondContact O-CA 3.32Å; L160-R168 PolarHBondContact N-O 2.89Å; L160-R168 PolarHBondContact O-N 2.52Å |
| 161 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.5 | -177.7 | -70.4 | 164.8 | 0 | 0 | 0 | 112.2 | M110 K112 G113 L115 Y118 M165 Q166 I167 | M110-L161 CarbonylContact C-O 3.56Å; M110-L161 VanDerWaalsContact CE-C 3.5Å; K112-L161 WeakPolarHBondContact CA-O 3.36Å; K112-L161 HydrophobicContact CB-CB 3.68Å; K112-L161 WeakPolarHBondContact CB-O 3.46Å; K112-L161 PolarHBondContact N-O 2.73Å; G113-L161 PolarHBondContact O-N 3.08Å; L115-L161 HydrophobicContact CB-CD1 4.36Å; L115-L161 HydrophobicContact CD1-CD1 4.03Å; Y118-L161 HydrophobicContact CD1-CD1 3.99Å; Y118-L161 HydrophobicContact CD2-CD1 4.4Å; Y118-L161 HydrophobicContact CG-CD1 3.71Å; L161-M165 HydrophobicContact CD1-CE 4.04Å; L161-M165 HydrophobicContact CD2-CE 4.11Å; L161-Q166 WeakPolarHBondContact CA-O 3.24Å; L161-I167 HydrophobicContact CD2-CG2 3.62Å |
| 162 | D | 93.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | trans | -90 | -178.8 | 171.2 | 74.2 | 8.5 | 0 | 0 | 0 | 112.3 | M110 K112 N164 M165 Q166 | M110-D162 HydrophobicContact CE-CB 3.91Å; M110-D162 HydrophobicContact SD-CB 4.31Å; K112-D162 VanDerWaalsContact CD-O 3.3Å; K112-D162 WeakPolarHBondContact CD-O 3.48Å; K112-D162 WeakPolarHBondContact CG-O 3.4Å; D162-N164 PolarHBondContact O-N 3.07Å; D162-N164 VanDerWaalsContact OD1-C 3.22Å; D162-N164 VanDerWaalsContact OD1-CA 3.26Å; D162-N164 WeakPolarHBondContact OD1-CA 3.42Å; D162-N164 WeakPolarHBondContact OD1-CB 3.15Å; D162-N164 PolarHBondContact OD1-N 3.18Å; D162-M165 PolarHBondContact O-N 3.45Å; D162-M165 VanDerWaalsContact O-N 3.13Å; D162-M165 PolarHBondContact OD1-N 2.96Å; D162-Q166 PolarHBondContact N-O 2.94Å; D162-Q166 VanDerWaalsContact N-O 3.08Å; D162-Q166 PolarHBondContact OD1-N 2.95Å; D162-Q166 WeakPolarHBondContact OD2-CB 3.42Å | ||
| 163 | D | 91.1 | Very high | 95.4 | Very high | 90 Ų | 90 | 31.6 Ų | 31.6 | 48% | 0.481 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.9 | 178.8 | -65.5 | -56.2 | 0 | 0 | 0 | 112.9 | R111 K112 M165 | R111-D163 VanDerWaalsContact CD-OD2 3.24Å; R111-D163 WeakPolarHBondContact CD-OD2 3.2Å; R111-D163 IonicContact NE-OD2 2.67Å; R111-D163 PolarHBondContact NE-OD2 3.44Å; K112-D163 WeakPolarHBondContact CE-O 3.21Å; K112-D163 PolarHBondContact NZ-O 3.23Å; D163-M165 VanDerWaalsContact C-N 3.32Å; D163-M165 PolarHBondContact O-N 3.36Å |
| 164 | N | 91.8 | Very high | 95.2 | Very high | 125 Ų | 125 | 34.7 Ų | 34.7 | 67% | 0.668 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 8.2 | -178.4 | -59.6 | 104.5 | 0 | 0 | 0 | 113.6 | D162 Q166 | D162-N164 PolarHBondContact O-N 3.07Å; D162-N164 VanDerWaalsContact OD1-C 3.22Å; D162-N164 VanDerWaalsContact OD1-CA 3.26Å; D162-N164 WeakPolarHBondContact OD1-CA 3.42Å; D162-N164 WeakPolarHBondContact OD1-CB 3.15Å; D162-N164 PolarHBondContact OD1-N 3.18Å; N164-Q166 HydrophobicContact CB-CG 4.19Å; N164-Q166 PolarHBondContact O-N 3.33Å; N164-Q166 PolarHBondContact O-NE2 2.77Å |
| 165 | M | 91.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 23% | 0.232 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 60.5 | 22.5 | -175.6 | -59.1 | -63.9 | -54.3 | 0 | 0 | 113.4 | K112 Y118 L161 D162 D163 | K112-M165 HydrophobicContact CD-SD 3.5Å; K112-M165 WeakPolarHBondContact CD-SD 3.42Å; K112-M165 PolarHBondContact NZ-SD 2.99Å; Y118-M165 HydrophobicContact CD1-CE 3.9Å; Y118-M165 HydrophobicContact CD2-CE 3.99Å; Y118-M165 HydrophobicContact CE1-CE 3.42Å; Y118-M165 VanDerWaalsContact CE1-CE 3.42Å; Y118-M165 HydrophobicContact CE2-CE 3.52Å; Y118-M165 HydrophobicContact CE2-SD 4.1Å; Y118-M165 HydrophobicContact CG-CE 4.16Å; L161-M165 HydrophobicContact CD1-CE 4.04Å; L161-M165 HydrophobicContact CD2-CE 4.11Å; D162-M165 PolarHBondContact O-N 3.45Å; D162-M165 VanDerWaalsContact O-N 3.13Å; D162-M165 PolarHBondContact OD1-N 2.96Å; D163-M165 VanDerWaalsContact C-N 3.32Å; D163-M165 PolarHBondContact O-N 3.36Å |
| 166 | Q | 94.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 34.2 Ų | 34.2 | 36% | 0.355 | 18% | 0.18 | S | C | . | . | trans | -82 | 141.9 | 168.9 | -54.7 | -55.2 | -58.4 | 0 | 0 | 108.9 | L161 D162 N164 | L161-Q166 WeakPolarHBondContact CA-O 3.24Å; D162-Q166 PolarHBondContact N-O 2.94Å; D162-Q166 VanDerWaalsContact N-O 3.08Å; D162-Q166 PolarHBondContact OD1-N 2.95Å; D162-Q166 WeakPolarHBondContact OD2-CB 3.42Å; N164-Q166 HydrophobicContact CB-CG 4.19Å; N164-Q166 PolarHBondContact O-N 3.33Å; N164-Q166 PolarHBondContact O-NE2 2.77Å | ||
| 167 | I | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 150.3 | 179 | 65.3 | 138.7 | 0 | 0 | 0 | 111.6 | H89 I133 S136 L137 I159 L160 L161 | H89-I167 WeakPolarHBondContact CA-O 3.43Å; H89-I167 PolarHBondContact ND1-O 3.36Å; I133-I167 HydrophobicContact CG1-CG2 4.19Å; I133-I167 HydrophobicContact CG2-CG2 4.11Å; S136-I167 VanDerWaalsContact CB-CG1 3.48Å; L137-I167 HydrophobicContact CB-CD1 3.9Å; L137-I167 HydrophobicContact CD1-CD1 4.44Å; I159-I167 HydrophobicContact CG2-CB 3.67Å; I159-I167 HydrophobicContact CG2-CD1 3.92Å; I159-I167 HydrophobicContact CG2-CG1 4.44Å; I159-I167 HydrophobicContact CG2-CG2 3.67Å; L160-I167 CarbonylContact O-C 3.54Å; L160-I167 WeakPolarHBondContact O-CA 3.32Å; L161-I167 HydrophobicContact CD2-CG2 3.62Å |
| 168 | R | 98.4 | Very high | 95.2 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.9 | 158.2 | -64.4 | -174.1 | -177.5 | -99.9 | 5.6 | 109.6 | H89 I90 I91 D108 M110 L160 | H89-R168 WeakPolarHBondContact O-CA 3.12Å; I90-R168 PolarHBondContact O-NH1 2.7Å; I91-R168 HydrophobicContact CB-CB 4.49Å; I91-R168 HydrophobicContact CD1-CB 4.39Å; D108-R168 IonicContact OD2-CZ 2.82Å; D108-R168 IonicContact OD2-NE 3.84Å; D108-R168 IonicContact OD2-NH1 2.86Å; D108-R168 PolarHBondContact OD2-NH1 2.87Å; D108-R168 IonicContact OD2-NH2 3.33Å; M110-R168 HydrophobicContact CE-CB 3.74Å; M110-R168 HydrophobicContact CE-CG 3.58Å; M110-R168 HydrophobicContact SD-CB 4.3Å; M110-R168 VanDerWaalsContact SD-CD 3.54Å; M110-R168 HydrophobicContact SD-CG 4Å; L160-R168 PolarHBondContact N-O 2.89Å; L160-R168 PolarHBondContact O-N 2.52Å |
| 169 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 136.2 | 169.9 | -179.7 | 60.4 | 0 | 0 | 0 | 109.5 | H89 I90 I91 L137 A140 L144 L154 I159 F172 | H89-L169 PolarHBondContact O-N 3.12Å; I90-L169 HydrophobicContact CG1-CB 4.49Å; I91-L169 WeakPolarHBondContact CB-O 3.47Å; I91-L169 WeakPolarHBondContact CG2-O 3.44Å; I91-L169 PolarHBondContact N-O 3.37Å; L137-L169 HydrophobicContact CD1-CD1 4.49Å; A140-L169 HydrophobicContact CB-CD2 4.46Å; L144-L169 HydrophobicContact CD1-CD2 3.81Å; L154-L169 HydrophobicContact CD2-CD1 3.45Å; L154-L169 VanDerWaalsContact CD2-CD1 3.45Å; L154-L169 HydrophobicContact CD2-CD2 3.8Å; L154-L169 HydrophobicContact CD2-CG 4.26Å; I159-L169 HydrophobicContact CG1-CD1 4.3Å; L169-F172 HydrophobicContact CD2-CZ 4.35Å; L169-F172 HydrophobicContact CG-CZ 4.32Å |
| 170 | S | 95.9 | Very high | 94.7 | Very high | 15 Ų | 15 | 44 Ų | 44 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | trans | -139.5 | 175.4 | -175.3 | 66.9 | 0 | 0 | 0 | 0 | 111 | H151 N158 | H151-S170 PolarHBondContact NE2-O 3.46Å; N158-S170 PolarHBondContact O-N 3.3Å; N158-S170 PolarHBondContact O-OG 2.96Å | ||
| 171 | D | 91.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | trans | 63.1 | 78.4 | 177.8 | -158.4 | 5 | 0 | 0 | 0 | 114.7 | H151 N158 G173 | H151-D171 PolarHBondContact CE1-O 3.07Å; H151-D171 PolarHBondContact NE2-O 3.36Å; N158-D171 HydrophobicContact CB-CB 4.33Å; D171-G173 VanDerWaalsContact C-N 3.3Å; D171-G173 PolarHBondContact O-N 3.18Å | ||
| 172 | F | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -91.8 | 15.7 | -179 | -72.3 | -98.3 | 0 | 0 | 0 | 112.7 | E77 I80 L81 V84 I90 I91 L144 H151 L169 F174 S175 | E77-F172 HydrophobicContact CG-CB 4.07Å; I80-F172 HydrophobicContact CG2-CB 4.28Å; I80-F172 HydrophobicContact CG2-CD1 3.55Å; I80-F172 HydrophobicContact CG2-CE1 4.22Å; I80-F172 HydrophobicContact CG2-CG 4.14Å; L81-F172 HydrophobicContact CD2-CD2 3.55Å; L81-F172 HydrophobicContact CD2-CE2 4.03Å; L81-F172 HydrophobicContact CD2-CG 4.22Å; L81-F172 HydrophobicContact CG-CB 4.47Å; L81-F172 HydrophobicContact CG-CD2 4.32Å; V84-F172 HydrophobicContact CG2-CZ 4.36Å; I90-F172 HydrophobicContact CG2-CE2 3.75Å; I90-F172 HydrophobicContact CG2-CZ 3.57Å; I91-F172 HydrophobicContact CG2-CE2 4.41Å; L144-F172 HydrophobicContact CD1-CE1 3.85Å; L144-F172 HydrophobicContact CD1-CZ 4.35Å; L144-F172 HydrophobicContact CD2-CE1 3.74Å; L144-F172 HydrophobicContact CD2-CZ 4.3Å; L144-F172 HydrophobicContact CG-CE1 4.45Å; H151-F172 AromaticContact CD2-CE1 3.88Å; L169-F172 HydrophobicContact CD2-CZ 4.35Å; L169-F172 HydrophobicContact CG-CZ 4.32Å; F172-F174 PolarHBondContact O-N 3.18Å; F172-S175 WeakPolarHBondContact CA-OG 3.12Å; F172-S175 VanDerWaalsContact CD1-OG 3.27Å; F172-S175 WeakPolarHBondContact CD1-OG 3.28Å; F172-S175 VanDerWaalsContact O-CB 3.29Å; F172-S175 WeakPolarHBondContact O-CB 3.49Å; F172-S175 PolarHBondContact O-N 3.46Å; F172-S175 PolarHBondContact O-OG 3.37Å | ||
| 173 | G | 90.9 | Very high | 94.2 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D171 | D171-G173 VanDerWaalsContact C-N 3.3Å; D171-G173 PolarHBondContact O-N 3.18Å |
| 174 | F | 92.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -2.1 | 172.8 | -66.5 | -68.1 | 0 | 0 | 0 | 113.6 | H151 R152 D153 F172 C188 | H151-F174 CarbonylContact O-C 3.47Å; R152-F174 HydrophobicContact CB-CB 4.36Å; R152-F174 PolarHBondContact NE-O 3.15Å; R152-F174 PolarHBondContact NH2-O 2.85Å; D153-F174 HydrophobicContact CB-CB 4.26Å; D153-F174 HydrophobicContact CB-CD2 3.63Å; D153-F174 HydrophobicContact CB-CE2 4.44Å; D153-F174 HydrophobicContact CB-CG 4.31Å; F172-F174 PolarHBondContact O-N 3.18Å; F174-C188 HydrophobicContact CD1-CB 3.69Å; F174-C188 HydrophobicContact CE1-CB 3.99Å; F174-C188 HydrophobicContact CG-CB 4.46Å |
| 175 | S | 96.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | trans | -73 | 149.6 | -176.4 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | I80 V150 H151 F172 | I80-S175 WeakPolarHBondContact CD1-O 3.45Å; V150-S175 VanDerWaalsContact O-CA 3.23Å; V150-S175 WeakPolarHBondContact O-CA 3.46Å; V150-S175 WeakPolarHBondContact O-CB 3.35Å; H151-S175 WeakPolarHBondContact CA-OG 3.46Å; H151-S175 PolarHBondContact O-OG 3.3Å; F172-S175 WeakPolarHBondContact CA-OG 3.12Å; F172-S175 VanDerWaalsContact CD1-OG 3.27Å; F172-S175 WeakPolarHBondContact CD1-OG 3.28Å; F172-S175 VanDerWaalsContact O-CB 3.29Å; F172-S175 WeakPolarHBondContact O-CB 3.49Å; F172-S175 PolarHBondContact O-N 3.46Å; F172-S175 PolarHBondContact O-OG 3.37Å | ||
| 176 | C | 96.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 54 Ų | 54 | 12% | 0.122 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 162 | 174.6 | 70.5 | 0 | 0 | 0 | 0 | 111.5 | I149 V150 | I149-C176 WeakPolarHBondContact CA-O 2.93Å; V150-C176 PolarHBondContact N-O 3.38Å; V150-C176 PolarHBondContact O-N 3.34Å |
| 177 | H | 97 | Very high | 94.5 | Very high | 68 Ų | 68 | 53.1 Ų | 53.1 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 142 | 165.9 | -65.5 | 79.9 | 0 | 0 | 0 | 109.9 | H79 Q83 N148 | H79-H177 AromaticContact CD2-CE1 3.91Å; Q83-H177 PolarHBondContact OE1-CE1 2.8Å; Q83-H177 PolarHBondContact OE1-NE2 2.74Å; N148-H177 CarbonylContact O-C 3.55Å; N148-H177 VanDerWaalsContact O-CA 3.26Å; N148-H177 WeakPolarHBondContact O-CA 3.26Å |
| 178 | L | 96.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | -140.8 | 104.1 | 176.8 | -175 | 66.4 | 0 | 0 | 0 | 108.7 | N148 V150 E182 L184 K212 | N148-L178 WeakPolarHBondContact CB-O 3.39Å; N148-L178 PolarHBondContact O-N 2.87Å; V150-L178 HydrophobicContact CG1-CB 4.28Å; L178-E182 HydrophobicContact CD1-CB 3.65Å; L178-E182 HydrophobicContact CG-CB 4.44Å; L178-L184 HydrophobicContact CD1-CD1 4.28Å; L178-L184 HydrophobicContact CD1-CD2 3.92Å; L178-L184 HydrophobicContact CD1-CG 3.73Å; L178-L184 HydrophobicContact CD2-CD1 4.41Å; L178-L184 HydrophobicContact CD2-CG 4.47Å; L178-K212 HydrophobicContact CD2-CG 4.2Å | ||
| 179 | E | 93.9 | Very high | 93.8 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | trans | -68.4 | 153.3 | -178.9 | -68.1 | -59.9 | 145.9 | 0 | 0 | 111.2 | N148 G181 E182 | N148-E179 PolarHBondContact ND2-OE2 2.76Å; E179-G181 PolarHBondContact O-N 3.39Å; E179-G181 VanDerWaalsContact O-N 3.12Å; E179-E182 HydrophobicContact CB-CG 4.05Å; E179-E182 PolarHBondContact N-OE2 2.88Å; E179-E182 WeakPolarHBondContact O-CB 3.42Å; E179-E182 PolarHBondContact O-N 3.5Å | ||
| 180 | P | 90.3 | Very high | 93.4 | Very high | 102 Ų | 102 | 52.9 Ų | 52.9 | 66% | 0.662 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 120.7 | 179.4 | -25.3 | 34.9 | 0 | 0 | 0 | 112.1 | ||
| 181 | G | 88.2 | Confident | 93.2 | Very high | 81 Ų | 81 | 53.5 Ų | 53.5 | 84% | 0.835 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -12.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E179 | E179-G181 PolarHBondContact O-N 3.39Å; E179-G181 VanDerWaalsContact O-N 3.12Å |
| 182 | E | 94.6 | Very high | 93.2 | Very high | 109 Ų | 109 | 50.9 Ų | 50.9 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | trans | -75.5 | 155.1 | 170.9 | -65.9 | -174.4 | 160.2 | 0 | 0 | 111.5 | L178 E179 | L178-E182 HydrophobicContact CD1-CB 3.65Å; L178-E182 HydrophobicContact CG-CB 4.44Å; E179-E182 HydrophobicContact CB-CG 4.05Å; E179-E182 PolarHBondContact N-OE2 2.88Å; E179-E182 WeakPolarHBondContact O-CB 3.42Å; E179-E182 PolarHBondContact O-N 3.5Å | ||
| 183 | K | 95.6 | Very high | 93.4 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | trans | -134.7 | 144.3 | 177.6 | -66 | -66.3 | -179.5 | -178.6 | 0 | 110.4 | P208 Y210 E213 | K183-P208 WeakPolarHBondContact CB-O 3.49Å; K183-Y210 CarbonylContact C-O 3.59Å; K183-Y210 WeakPolarHBondContact CA-O 3.2Å; K183-Y210 WeakPolarHBondContact CD-O 3.31Å; K183-E213 IonicContact NZ-OE1 3.75Å; K183-E213 IonicContact NZ-OE2 3.88Å | ||
| 184 | L | 95.8 | Very high | 93.6 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 157.4 | 177.9 | -59.9 | 172.2 | 0 | 0 | 0 | 110.4 | V150 L178 G209 Y210 | V150-L184 HydrophobicContact CG1-CD1 3.77Å; L178-L184 HydrophobicContact CD1-CD1 4.28Å; L178-L184 HydrophobicContact CD1-CD2 3.92Å; L178-L184 HydrophobicContact CD1-CG 3.73Å; L178-L184 HydrophobicContact CD2-CD1 4.41Å; L178-L184 HydrophobicContact CD2-CG 4.47Å; L184-G209 CarbonylContact O-C 3.55Å; L184-G209 WeakPolarHBondContact O-CA 3.31Å; L184-Y210 HydrophobicContact CB-CD1 4.28Å; L184-Y210 HydrophobicContact CB-CD2 3.99Å; L184-Y210 HydrophobicContact CB-CE1 3.86Å; L184-Y210 HydrophobicContact CB-CE2 3.53Å; L184-Y210 HydrophobicContact CB-CG 4.35Å; L184-Y210 VanDerWaalsContact CB-CZ 3.45Å; L184-Y210 HydrophobicContact CD1-CD2 4.42Å; L184-Y210 HydrophobicContact CD1-CE2 3.71Å; L184-Y210 HydrophobicContact CG-CE2 4.23Å; L184-Y210 PolarHBondContact N-O 2.83Å; L184-Y210 VanDerWaalsContact O-CD1 3.25Å; L184-Y210 WeakPolarHBondContact O-CD1 3.45Å; L184-Y210 PolarHBondContact O-N 2.75Å |
| 185 | R | 94.8 | Very high | 93.9 | Very high | 110 Ų | 110 | 47.5 Ų | 47.5 | 42% | 0.415 | 26% | 0.263 | S | S | . | . | trans | -131.7 | -14.5 | 177.4 | -55.2 | -173.3 | 72.8 | 98.6 | 10.8 | 114 | L187 C201 D204 E205 H207 | R185-L187 PolarHBondContact O-N 3.04Å; R185-C201 PolarHBondContact NH2-O 3.12Å; R185-D204 PolarHBondContact NH2-O 3.44Å; R185-E205 PolarHBondContact NH1-O 2.84Å; R185-E205 VanDerWaalsContact NH2-C 3.3Å; R185-E205 PolarHBondContact NH2-O 2.83Å; R185-H207 PolarHBondContact NH1-O 3.18Å; R185-H207 PolarHBondContact NH2-O 2.94Å | ||
| 186 | E | 92.6 | Very high | 94 | Very high | 107 Ų | 107 | 47.4 Ų | 47.4 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | trans | -60.6 | 126.4 | -177.8 | -175.1 | -172.4 | -177.1 | 0 | 0 | 110.9 | R152 C188 Y210 | R152-E186 IonicContact CZ-OE2 3.41Å; R152-E186 IonicContact NH1-OE2 2.75Å; R152-E186 PolarHBondContact NH1-OE2 3.34Å; R152-E186 IonicContact NH2-OE2 3.16Å; R152-E186 PolarHBondContact NH2-OE2 2.94Å; R152-E186 VanDerWaalsContact NH2-OE2 3.16Å; E186-C188 HydrophobicContact CG-CB 4.38Å; E186-C188 PolarHBondContact O-N 3.35Å; E186-Y210 WeakPolarHBondContact O-CE1 3.28Å; E186-Y210 PolarHBondContact O-OH 2.88Å | ||
| 187 | L | 93.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | trans | -81.1 | 101.4 | 172.2 | 178.6 | 63.6 | 0 | 0 | 0 | 109.2 | R185 L194 I198 L199 I396 | R185-L187 PolarHBondContact O-N 3.04Å; L187-L194 HydrophobicContact CD1-CD1 3.95Å; L187-I198 HydrophobicContact CD1-CG2 3.64Å; L187-L199 HydrophobicContact CD1-CD2 4.35Å; L187-I396 HydrophobicContact CD2-CD1 3.6Å; L187-I396 HydrophobicContact CG-CD1 4.46Å | ||
| 188 | C | 90.9 | Very high | 94 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | trans | -141.2 | 161.6 | 177.4 | 62.2 | 0 | 0 | 0 | 0 | 111 | R152 F174 E186 L194 | R152-C188 VanDerWaalsContact CZ-SG 3.54Å; R152-C188 PolarHBondContact NH1-SG 2.87Å; F174-C188 HydrophobicContact CD1-CB 3.69Å; F174-C188 HydrophobicContact CE1-CB 3.99Å; F174-C188 HydrophobicContact CG-CB 4.46Å; E186-C188 HydrophobicContact CG-CB 4.38Å; E186-C188 PolarHBondContact O-N 3.35Å; C188-L194 WeakPolarHBondContact O-CD2 3.09Å | ||
| 189 | G | 90.9 | Very high | 93.9 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 21% | 0.206 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 98 | 174.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | D153 | D153-G189 WeakPolarHBondContact OD1-CA 3.39Š|
| 190 | T | 89.7 | Confident | 93.8 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 14% | 0.141 | 24% | 0.237 | C | C | . | . | trans | -81 | 125.1 | -170.9 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | D153 K155 G192 Y193 L194 | D153-T190 WeakPolarHBondContact OD1-CB 3.41Å; D153-T190 PolarHBondContact OD1-N 3.1Å; D153-T190 PolarHBondContact OD1-OG1 3.16Å; K155-T190 HydrophobicContact CD-CG2 4.37Å; K155-T190 VanDerWaalsContact CD-OG1 3.25Å; K155-T190 WeakPolarHBondContact CD-OG1 3.32Å; K155-T190 PolarHBondContact NZ-OG1 3.05Å; T190-G192 VanDerWaalsContact C-N 3.29Å; T190-G192 PolarHBondContact O-N 3.43Å; T190-Y193 HydrophobicContact CG2-CD2 3.96Å; T190-Y193 HydrophobicContact CG2-CE2 4.32Å; T190-Y193 PolarHBondContact O-N 2.86Å; T190-L194 PolarHBondContact O-N 3.24Å | ||
| 191 | P | 90.9 | Very high | 93.9 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -49.3 | -36.7 | -170.2 | -33.7 | 36.3 | 0 | 0 | 0 | 117.2 | Y193 M241 L242 I245 | P191-Y193 PolarHBondContact O-N 3.15Å; P191-M241 HydrophobicContact CB-CE 3.75Å; P191-L242 HydrophobicContact CB-CD2 4.49Å; P191-I245 VanDerWaalsContact O-CD1 3.25Å; P191-I245 WeakPolarHBondContact O-CD1 3.46Å |
| 192 | G | 93 | Very high | 94 | Very high | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -72.4 | -12 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T190 | T190-G192 VanDerWaalsContact C-N 3.29Å; T190-G192 PolarHBondContact O-N 3.43Å |
| 193 | Y | 97.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 35 Ų | 35 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -115.7 | -2.7 | -178.1 | -59.2 | -89.3 | 0 | 0 | 0 | 112.4 | K155 P156 T190 P191 V221 I222 | K155-Y193 HydrophobicContact CB-CD1 4.27Å; K155-Y193 HydrophobicContact CB-CD2 3.82Å; K155-Y193 HydrophobicContact CB-CE1 4.16Å; K155-Y193 HydrophobicContact CB-CE2 3.66Å; K155-Y193 HydrophobicContact CB-CG 4.13Å; P156-Y193 VanDerWaalsContact CD-CZ 3.44Å; P156-Y193 WeakPolarHBondContact CD-OH 3.44Å; T190-Y193 HydrophobicContact CG2-CD2 3.96Å; T190-Y193 HydrophobicContact CG2-CE2 4.32Å; T190-Y193 PolarHBondContact O-N 2.86Å; P191-Y193 PolarHBondContact O-N 3.15Å; Y193-V221 HydrophobicContact CD1-CB 3.82Å; Y193-V221 HydrophobicContact CD1-CG1 3.4Å; Y193-V221 VanDerWaalsContact CD1-CG1 3.4Å; Y193-V221 HydrophobicContact CE1-CB 4.25Å; Y193-V221 HydrophobicContact CE1-CG1 3.51Å; Y193-V221 HydrophobicContact CG-CG1 4.25Å; Y193-I222 HydrophobicContact CD1-CG1 4.25Å; Y193-I222 HydrophobicContact CE1-CG1 3.98Å |
| 194 | L | 97.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | trans | -64.2 | 138.1 | 178 | -65.1 | 179.9 | 0 | 0 | 0 | 111.2 | L187 C188 T190 I198 L199 W217 I245 | L187-L194 HydrophobicContact CD1-CD1 3.95Å; C188-L194 WeakPolarHBondContact O-CD2 3.09Å; T190-L194 PolarHBondContact O-N 3.24Å; L194-I198 HydrophobicContact CD2-CD1 4.09Å; L194-I198 HydrophobicContact CD2-CG2 4.44Å; L194-L199 HydrophobicContact CB-CD2 4.38Å; L194-L199 HydrophobicContact CD1-CD2 3.8Å; L194-W217 PolarHBondContact O-NE1 2.83Å; L194-I245 VanDerWaalsContact O-CG2 3.22Å; L194-I245 WeakPolarHBondContact O-CG2 3.48Å | ||
| 195 | A | 97.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | trans | -78.5 | 152.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E197 I198 L199 V214 W217 | A195-E197 VanDerWaalsContact C-N 3.26Å; A195-E197 HydrophobicContact CB-CG 4.38Å; A195-E197 WeakPolarHBondContact CB-OE1 3.3Å; A195-E197 WeakPolarHBondContact CB-OE2 3.48Å; A195-E197 PolarHBondContact O-N 2.9Å; A195-I198 HydrophobicContact CB-CD1 4.35Å; A195-I198 HydrophobicContact CB-CG1 4.35Å; A195-I198 PolarHBondContact O-N 2.81Å; A195-I198 VanDerWaalsContact O-N 3.14Å; A195-L199 PolarHBondContact O-N 2.9Å; A195-V214 HydrophobicContact CB-CB 3.99Å; A195-V214 HydrophobicContact CB-CG1 3.93Å; A195-W217 HydrophobicContact CB-CB 3.77Å; A195-W217 HydrophobicContact CB-CD2 4.39Å; A195-W217 HydrophobicContact CB-CG 3.78Å | ||
| 196 | P | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55 | -38.9 | -179.2 | -28.4 | 37.2 | 0 | 0 | 0 | 113.8 | I198 L199 K200 W217 I245 V274 | P196-I198 VanDerWaalsContact C-N 3.35Å; P196-I198 PolarHBondContact O-N 2.87Å; P196-L199 PolarHBondContact O-N 2.82Å; P196-K200 VanDerWaalsContact O-CG 3.31Å; P196-K200 WeakPolarHBondContact O-CG 3.33Å; P196-K200 PolarHBondContact O-N 2.95Å; P196-W217 HydrophobicContact CG-CD2 4.44Å; P196-W217 HydrophobicContact CG-CE3 4.12Å; P196-W217 HydrophobicContact CG-CH2 3.49Å; P196-W217 VanDerWaalsContact CG-CH2 3.49Å; P196-W217 HydrophobicContact CG-CZ2 3.85Å; P196-W217 HydrophobicContact CG-CZ3 3.64Å; P196-I245 HydrophobicContact CG-CG2 4.29Å; P196-I245 WeakPolarHBondContact CG-O 3.29Å; P196-V274 HydrophobicContact CB-CG1 4.02Å; P196-V274 HydrophobicContact CG-CB 4.48Å; P196-V274 HydrophobicContact CG-CG1 4.18Å; P196-V274 HydrophobicContact CG-CG2 4.38Å |
| 197 | E | 97.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.6 | -28 | -178.7 | 61.9 | -87 | -159 | 0 | 0 | 113.8 | A195 C201 V214 R279 | A195-E197 VanDerWaalsContact C-N 3.26Å; A195-E197 HydrophobicContact CB-CG 4.38Å; A195-E197 WeakPolarHBondContact CB-OE1 3.3Å; A195-E197 WeakPolarHBondContact CB-OE2 3.48Å; A195-E197 PolarHBondContact O-N 2.9Å; E197-C201 WeakPolarHBondContact O-CB 3.49Å; E197-C201 PolarHBondContact O-N 2.97Å; E197-C201 PolarHBondContact O-SG 2.98Å; E197-C201 VanDerWaalsContact O-SG 3.4Å; E197-V214 HydrophobicContact CG-CG1 4.13Å; E197-R279 IonicContact OE1-CZ 3.7Å; E197-R279 IonicContact OE1-NH1 3.67Å; E197-R279 PolarHBondContact OE1-NH1 2.9Å; E197-R279 IonicContact OE1-NH2 3.37Å; E197-R279 PolarHBondContact OE1-NH2 2.99Å; E197-R279 IonicContact OE2-CZ 3.36Å; E197-R279 IonicContact OE2-NH1 2.71Å; E197-R279 IonicContact OE2-NH2 2.97Å; E197-R279 PolarHBondContact OE2-NH2 3.22Å |
| 198 | I | 96.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 172.1 | -58.7 | 176.8 | 0 | 0 | 0 | 109.2 | L187 L194 A195 P196 C201 S202 Y210 V214 | L187-I198 HydrophobicContact CD1-CG2 3.64Å; L194-I198 HydrophobicContact CD2-CD1 4.09Å; L194-I198 HydrophobicContact CD2-CG2 4.44Å; A195-I198 HydrophobicContact CB-CD1 4.35Å; A195-I198 HydrophobicContact CB-CG1 4.35Å; A195-I198 PolarHBondContact O-N 2.81Å; A195-I198 VanDerWaalsContact O-N 3.14Å; P196-I198 VanDerWaalsContact C-N 3.35Å; P196-I198 PolarHBondContact O-N 2.87Å; I198-C201 PolarHBondContact O-SG 3.4Å; I198-S202 PolarHBondContact O-N 2.71Å; I198-Y210 HydrophobicContact CB-CD1 4.32Å; I198-Y210 HydrophobicContact CB-CE1 4.48Å; I198-Y210 HydrophobicContact CG1-CD1 3.81Å; I198-Y210 HydrophobicContact CG1-CD2 4.15Å; I198-Y210 HydrophobicContact CG1-CE1 4.06Å; I198-Y210 HydrophobicContact CG1-CE2 4.38Å; I198-Y210 HydrophobicContact CG1-CG 3.86Å; I198-Y210 HydrophobicContact CG2-CD1 4.5Å; I198-Y210 HydrophobicContact CG2-CE1 4.19Å; I198-V214 HydrophobicContact CD1-CB 3.91Å; I198-V214 HydrophobicContact CD1-CG1 3.78Å; I198-V214 HydrophobicContact CD1-CG2 4.4Å; I198-V214 HydrophobicContact CG1-CB 4.38Å; I198-V214 HydrophobicContact CG1-CG1 3.69Å |
| 199 | L | 94 | Very high | 93 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 178.7 | -58.3 | 178.8 | 0 | 0 | 0 | 111.1 | L187 L194 A195 P196 S202 M203 L242 I245 M246 | L187-L199 HydrophobicContact CD1-CD2 4.35Å; L194-L199 HydrophobicContact CB-CD2 4.38Å; L194-L199 HydrophobicContact CD1-CD2 3.8Å; A195-L199 PolarHBondContact O-N 2.9Å; P196-L199 PolarHBondContact O-N 2.82Å; L199-S202 PolarHBondContact O-N 2.98Å; L199-M203 HydrophobicContact CB-CE 4.39Å; L199-M203 VanDerWaalsContact O-CG 3.29Å; L199-M203 WeakPolarHBondContact O-CG 3.37Å; L199-M203 PolarHBondContact O-N 3.38Å; L199-L242 HydrophobicContact CD1-CB 4.19Å; L199-L242 HydrophobicContact CD1-CD2 3.99Å; L199-L242 HydrophobicContact CD2-CD2 3.95Å; L199-I245 HydrophobicContact CD1-CB 4.06Å; L199-I245 HydrophobicContact CD1-CG2 3.69Å; L199-M246 HydrophobicContact CB-CG 3.95Å; L199-M246 HydrophobicContact CB-SD 4.27Å; L199-M246 HydrophobicContact CD1-CG 3.77Å |
| 200 | K | 92.5 | Very high | 93.3 | Very high | 72 Ų | 72 | 39 Ų | 39 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.9 | -72 | 170.6 | -177.4 | 175.3 | 0 | 111.8 | P196 S202 M203 D204 M246 | P196-K200 VanDerWaalsContact O-CG 3.31Å; P196-K200 WeakPolarHBondContact O-CG 3.33Å; P196-K200 PolarHBondContact O-N 2.95Å; K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 2.94Å; K200-M203 PolarHBondContact O-N 3.47Å; K200-M203 VanDerWaalsContact O-N 3.14Å; K200-D204 PolarHBondContact O-N 2.82Å; K200-M246 HydrophobicContact CG-CE 4.17Å |
| 201 | C | 92.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.3 | -24.1 | -178.3 | 76.8 | 0 | 0 | 0 | 0 | 114.2 | R185 E197 I198 M203 H207 | R185-C201 PolarHBondContact NH2-O 3.12Å; E197-C201 WeakPolarHBondContact O-CB 3.49Å; E197-C201 PolarHBondContact O-N 2.97Å; E197-C201 PolarHBondContact O-SG 2.98Å; E197-C201 VanDerWaalsContact O-SG 3.4Å; I198-C201 PolarHBondContact O-SG 3.4Å; C201-M203 VanDerWaalsContact C-N 3.34Å; C201-H207 HydrophobicContact CB-CB 4.09Å |
| 202 | S | 89.5 | Confident | 94 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -76.9 | -20.8 | 173.1 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | I198 L199 K200 | I198-S202 PolarHBondContact O-N 2.71Å; L199-S202 PolarHBondContact O-N 2.98Å; K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 2.94Å |
| 203 | M | 86.6 | Confident | 94.3 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 34% | 0.335 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -102 | -27.6 | -179.1 | -64.4 | 174.7 | -168.4 | 0 | 0 | 112.9 | L199 K200 C201 M246 A401 V404 | L199-M203 HydrophobicContact CB-CE 4.39Å; L199-M203 VanDerWaalsContact O-CG 3.29Å; L199-M203 WeakPolarHBondContact O-CG 3.37Å; L199-M203 PolarHBondContact O-N 3.38Å; K200-M203 PolarHBondContact O-N 3.47Å; K200-M203 VanDerWaalsContact O-N 3.14Å; C201-M203 VanDerWaalsContact C-N 3.34Å; M203-M246 HydrophobicContact CE-SD 4Å; M203-M246 HydrophobicContact SD-CE 3.85Å; M203-M246 HydrophobicContact SD-SD 3.95Å; M203-A401 HydrophobicContact CG-CB 4.28Å; M203-V404 HydrophobicContact CE-CG1 4.46Å; M203-V404 HydrophobicContact CE-CG2 3.82Å; M203-V404 HydrophobicContact SD-CB 4.39Å; M203-V404 HydrophobicContact SD-CG1 4.35Å; M203-V404 HydrophobicContact SD-CG2 4.29Å |
| 204 | D | 88.6 | Confident | 94.3 | Very high | 73 Ų | 73 | 40.7 Ų | 40.7 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | trans | -122.9 | 107.2 | -178.3 | 179.8 | 3.8 | 0 | 0 | 0 | 110.1 | R185 K200 T206 H207 | R185-D204 PolarHBondContact NH2-O 3.44Å; K200-D204 PolarHBondContact O-N 2.82Å; D204-T206 VanDerWaalsContact CG-OG1 3.25Å; D204-T206 PolarHBondContact O-N 3.35Å; D204-T206 WeakPolarHBondContact OD1-CA 3.42Å; D204-T206 WeakPolarHBondContact OD1-CB 3.39Å; D204-T206 PolarHBondContact OD1-N 3.31Å; D204-T206 PolarHBondContact OD1-OG1 3.44Å; D204-T206 PolarHBondContact OD2-OG1 3.04Å; D204-H207 HydrophobicContact CB-CB 4.39Å; D204-H207 VanDerWaalsContact O-CB 3.3Å; D204-H207 WeakPolarHBondContact O-CB 3.28Å; D204-H207 PolarHBondContact O-N 3.07Å; D204-H207 VanDerWaalsContact O-N 3.11Å | ||
| 205 | E | 88 | Confident | 94.4 | Very high | 177 Ų | 177 | 40.2 Ų | 40.2 | 83% | 0.827 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.6 | 177.3 | -67.7 | -172.6 | 172 | 0 | 0 | 112.6 | R185 H207 | R185-E205 PolarHBondContact NH1-O 2.84Å; R185-E205 VanDerWaalsContact NH2-C 3.3Å; R185-E205 PolarHBondContact NH2-O 2.83Å; E205-H207 VanDerWaalsContact C-N 3.32Å; E205-H207 PolarHBondContact O-N 3.22Å |
| 206 | T | 92.3 | Very high | 94.5 | Very high | 122 Ų | 122 | 40.3 Ų | 40.3 | 75% | 0.748 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -14.3 | -180 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | D204 | D204-T206 VanDerWaalsContact CG-OG1 3.25Å; D204-T206 PolarHBondContact O-N 3.35Å; D204-T206 WeakPolarHBondContact OD1-CA 3.42Å; D204-T206 WeakPolarHBondContact OD1-CB 3.39Å; D204-T206 PolarHBondContact OD1-N 3.31Å; D204-T206 PolarHBondContact OD1-OG1 3.44Å; D204-T206 PolarHBondContact OD2-OG1 3.04Å |
| 207 | H | 93.7 | Very high | 94.5 | Very high | 40 Ų | 40 | 40.3 Ų | 40.3 | 19% | 0.185 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -62.4 | 140.1 | 176.7 | -166.9 | -87.6 | 0 | 0 | 0 | 110.5 | R185 C201 D204 E205 G209 | R185-H207 PolarHBondContact NH1-O 3.18Å; R185-H207 PolarHBondContact NH2-O 2.94Å; C201-H207 HydrophobicContact CB-CB 4.09Å; D204-H207 HydrophobicContact CB-CB 4.39Å; D204-H207 VanDerWaalsContact O-CB 3.3Å; D204-H207 WeakPolarHBondContact O-CB 3.28Å; D204-H207 PolarHBondContact O-N 3.07Å; D204-H207 VanDerWaalsContact O-N 3.11Å; E205-H207 VanDerWaalsContact C-N 3.32Å; E205-H207 PolarHBondContact O-N 3.22Å; H207-G209 PolarHBondContact CE1-O 2.84Å; H207-G209 PolarHBondContact ND1-N 2.7Å; H207-G209 PolarHBondContact ND1-O 3.47Å; H207-G209 PolarHBondContact O-N 2.8Å; H207-G209 VanDerWaalsContact O-N 3.09Å |
| 208 | P | 92.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 40.4 Ų | 40.4 | 64% | 0.643 | 22% | 0.217 | S | C | * | . | trans | -69 | -8.5 | -175.7 | 26.9 | -36.4 | 0 | 0 | 0 | 115 | K183 | K183-P208 WeakPolarHBondContact CB-O 3.49Š| ||
| 209 | G | 95.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | trans | 96.6 | -166.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L184 H207 | L184-G209 CarbonylContact O-C 3.55Å; L184-G209 WeakPolarHBondContact O-CA 3.31Å; H207-G209 PolarHBondContact CE1-O 2.84Å; H207-G209 PolarHBondContact ND1-N 2.7Å; H207-G209 PolarHBondContact ND1-O 3.47Å; H207-G209 PolarHBondContact O-N 2.8Å; H207-G209 VanDerWaalsContact O-N 3.09Å | ||
| 210 | Y | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -126.8 | 164.7 | -178 | 66.6 | -95 | 0 | 0 | 0 | 111.9 | R152 K183 L184 E186 I198 V214 | R152-Y210 PolarHBondContact NH1-OH 3.09Å; K183-Y210 CarbonylContact C-O 3.59Å; K183-Y210 WeakPolarHBondContact CA-O 3.2Å; K183-Y210 WeakPolarHBondContact CD-O 3.31Å; L184-Y210 HydrophobicContact CB-CD1 4.28Å; L184-Y210 HydrophobicContact CB-CD2 3.99Å; L184-Y210 HydrophobicContact CB-CE1 3.86Å; L184-Y210 HydrophobicContact CB-CE2 3.53Å; L184-Y210 HydrophobicContact CB-CG 4.35Å; L184-Y210 VanDerWaalsContact CB-CZ 3.45Å; L184-Y210 HydrophobicContact CD1-CD2 4.42Å; L184-Y210 HydrophobicContact CD1-CE2 3.71Å; L184-Y210 HydrophobicContact CG-CE2 4.23Å; L184-Y210 PolarHBondContact N-O 2.83Å; L184-Y210 VanDerWaalsContact O-CD1 3.25Å; L184-Y210 WeakPolarHBondContact O-CD1 3.45Å; L184-Y210 PolarHBondContact O-N 2.75Å; E186-Y210 WeakPolarHBondContact O-CE1 3.28Å; E186-Y210 PolarHBondContact O-OH 2.88Å; I198-Y210 HydrophobicContact CB-CD1 4.32Å; I198-Y210 HydrophobicContact CB-CE1 4.48Å; I198-Y210 HydrophobicContact CG1-CD1 3.81Å; I198-Y210 HydrophobicContact CG1-CD2 4.15Å; I198-Y210 HydrophobicContact CG1-CE1 4.06Å; I198-Y210 HydrophobicContact CG1-CE2 4.38Å; I198-Y210 HydrophobicContact CG1-CG 3.86Å; I198-Y210 HydrophobicContact CG2-CD1 4.5Å; I198-Y210 HydrophobicContact CG2-CE1 4.19Å; Y210-V214 HydrophobicContact CD2-CG1 3.53Å; Y210-V214 HydrophobicContact CD2-CG2 4.2Å; Y210-V214 HydrophobicContact CE2-CG1 4.39Å; Y210-V214 HydrophobicContact CE2-CG2 4.44Å; Y210-V214 HydrophobicContact CG-CG1 3.9Å |
| 211 | G | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | trans | -133.1 | -146.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E213 V214 | G211-E213 WeakPolarHBondContact CA-OE2 3.34Å; G211-E213 PolarHBondContact N-OE2 2.82Å; G211-E213 PolarHBondContact O-N 3.16Å; G211-V214 WeakPolarHBondContact O-CG2 3.43Å | ||
| 212 | K | 98 | Very high | 95.6 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 18% | 0.183 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.1 | -177.2 | -60.6 | 178.3 | -176.1 | 172.3 | 0 | 112.6 | H145 N148 V150 L178 V214 D215 | H145-K212 HydrophobicContact CB-CD 3.98Å; H145-K212 PolarHBondContact CE1-O 3.41Å; H145-K212 PolarHBondContact NE2-O 3.04Å; H145-K212 PolarHBondContact O-NZ 3.37Å; N148-K212 PolarHBondContact OD1-NZ 2.84Å; V150-K212 HydrophobicContact CB-CG 4.5Å; L178-K212 HydrophobicContact CD2-CG 4.2Å; K212-V214 PolarHBondContact O-N 2.95Å; K212-V214 VanDerWaalsContact O-N 3.12Å; K212-D215 PolarHBondContact O-N 2.98Å |
| 213 | E | 98.4 | Very high | 96 | Very high | 60 Ų | 60 | 33.6 Ų | 33.6 | 28% | 0.28 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.1 | -21.6 | -174.7 | -50.5 | 79.9 | -170.2 | 0 | 0 | 112.7 | K183 G211 D215 L216 W217 P276 R279 | K183-E213 IonicContact NZ-OE1 3.75Å; K183-E213 IonicContact NZ-OE2 3.88Å; G211-E213 WeakPolarHBondContact CA-OE2 3.34Å; G211-E213 PolarHBondContact N-OE2 2.82Å; G211-E213 PolarHBondContact O-N 3.16Å; E213-D215 VanDerWaalsContact C-N 3.29Å; E213-D215 PolarHBondContact O-N 3.33Å; E213-L216 PolarHBondContact O-N 3.07Å; E213-L216 VanDerWaalsContact O-N 3.13Å; E213-W217 PolarHBondContact O-N 2.99Å; E213-P276 HydrophobicContact CB-CB 3.88Å; E213-P276 HydrophobicContact CG-CB 4.1Å; E213-R279 PolarHBondContact O-NH1 2.96Å |
| 214 | V | 98.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -33.6 | 178.8 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | V150 A195 E197 I198 Y210 G211 K212 L216 W217 A218 | V150-V214 HydrophobicContact CG2-CG2 3.95Å; A195-V214 HydrophobicContact CB-CB 3.99Å; A195-V214 HydrophobicContact CB-CG1 3.93Å; E197-V214 HydrophobicContact CG-CG1 4.13Å; I198-V214 HydrophobicContact CD1-CB 3.91Å; I198-V214 HydrophobicContact CD1-CG1 3.78Å; I198-V214 HydrophobicContact CD1-CG2 4.4Å; I198-V214 HydrophobicContact CG1-CB 4.38Å; I198-V214 HydrophobicContact CG1-CG1 3.69Å; Y210-V214 HydrophobicContact CD2-CG1 3.53Å; Y210-V214 HydrophobicContact CD2-CG2 4.2Å; Y210-V214 HydrophobicContact CE2-CG1 4.39Å; Y210-V214 HydrophobicContact CE2-CG2 4.44Å; Y210-V214 HydrophobicContact CG-CG1 3.9Å; G211-V214 WeakPolarHBondContact O-CG2 3.43Å; K212-V214 PolarHBondContact O-N 2.95Å; K212-V214 VanDerWaalsContact O-N 3.12Å; V214-L216 PolarHBondContact O-N 3.28Å; V214-W217 WeakPolarHBondContact O-CB 3.39Å; V214-W217 PolarHBondContact O-N 3.03Å; V214-A218 PolarHBondContact O-N 3.46Å; V214-A218 VanDerWaalsContact O-N 3.15Å |
| 215 | D | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.2 | -30.2 | 176.9 | -74.3 | -20.2 | 0 | 0 | 0 | 111 | V141 H145 V150 H151 R152 L154 K212 E213 A218 C219 | V141-D215 HydrophobicContact CG1-CB 4.12Å; H145-D215 IonicContact CD2-OD2 3.46Å; H145-D215 IonicContact CE1-OD2 3.84Å; H145-D215 IonicContact NE2-OD2 3.43Å; H145-D215 PolarHBondContact NE2-OD2 3.05Å; V150-D215 WeakPolarHBondContact CG2-OD2 3.45Å; H151-D215 PolarHBondContact N-OD1 3.36Å; H151-D215 PolarHBondContact N-OD2 3.28Å; R152-D215 PolarHBondContact N-OD1 2.95Å; L154-D215 HydrophobicContact CD1-CB 3.61Å; L154-D215 WeakPolarHBondContact CD1-O 3.3Å; K212-D215 PolarHBondContact O-N 2.98Å; E213-D215 VanDerWaalsContact C-N 3.29Å; E213-D215 PolarHBondContact O-N 3.33Å; D215-A218 PolarHBondContact O-N 2.89Å; D215-C219 PolarHBondContact O-N 2.67Å; D215-C219 PolarHBondContact O-SG 3.35Å |
| 216 | L | 98.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -77.4 | -33.1 | 179.9 | -75.9 | -58.9 | 0 | 0 | 0 | 111.9 | L138 V141 H145 E213 V214 C219 G220 L271 R279 L280 A282 | L138-L216 HydrophobicContact CD2-CD1 3.77Å; V141-L216 HydrophobicContact CG1-CD2 4.09Å; H145-L216 WeakPolarHBondContact CE1-CD2 3.48Å; E213-L216 PolarHBondContact O-N 3.07Å; E213-L216 VanDerWaalsContact O-N 3.13Å; V214-L216 PolarHBondContact O-N 3.28Å; L216-C219 WeakPolarHBondContact O-CB 3.39Å; L216-C219 PolarHBondContact O-N 3.3Å; L216-G220 PolarHBondContact O-N 3.21Å; L216-L271 HydrophobicContact CB-CD2 4.21Å; L216-L271 HydrophobicContact CD1-CD2 4.06Å; L216-R279 HydrophobicContact CB-CG 4.44Å; L216-L280 VanDerWaalsContact CG-O 3.29Å; L216-L280 WeakPolarHBondContact CG-O 3.46Å; L216-A282 HydrophobicContact CD1-CB 4.02Å |
| 217 | W | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.9 | -49.6 | 167.8 | 176.9 | -89.8 | 0 | 0 | 0 | 110.7 | L194 A195 P196 E213 V214 C219 G220 V221 F233 I245 L272 V274 | L194-W217 PolarHBondContact O-NE1 2.83Å; A195-W217 HydrophobicContact CB-CB 3.77Å; A195-W217 HydrophobicContact CB-CD2 4.39Å; A195-W217 HydrophobicContact CB-CG 3.78Å; P196-W217 HydrophobicContact CG-CD2 4.44Å; P196-W217 HydrophobicContact CG-CE3 4.12Å; P196-W217 HydrophobicContact CG-CH2 3.49Å; P196-W217 VanDerWaalsContact CG-CH2 3.49Å; P196-W217 HydrophobicContact CG-CZ2 3.85Å; P196-W217 HydrophobicContact CG-CZ3 3.64Å; E213-W217 PolarHBondContact O-N 2.99Å; V214-W217 WeakPolarHBondContact O-CB 3.39Å; V214-W217 PolarHBondContact O-N 3.03Å; W217-C219 VanDerWaalsContact C-N 3.31Å; W217-C219 PolarHBondContact O-N 3.48Å; W217-G220 WeakPolarHBondContact O-CA 3.25Å; W217-G220 PolarHBondContact O-N 3.39Å; W217-V221 PolarHBondContact O-N 3.01Å; W217-F233 AromaticContact CE2-CE2 3.97Å; W217-F233 HydrophobicContact CH2-CE2 4.1Å; W217-F233 AromaticContact CH2-CZ 3.73Å; W217-F233 HydrophobicContact CH2-CZ 3.73Å; W217-F233 HydrophobicContact CZ2-CD2 4.29Å; W217-F233 HydrophobicContact CZ2-CE1 4.45Å; W217-F233 AromaticContact CZ2-CE2 3.34Å; W217-F233 HydrophobicContact CZ2-CE2 3.34Å; W217-F233 AromaticContact CZ2-CZ 3.44Å; W217-F233 HydrophobicContact CZ2-CZ 3.44Å; W217-F233 VanDerWaalsContact CZ2-CZ 3.44Å; W217-I245 HydrophobicContact CZ2-CG2 3.91Å; W217-L272 HydrophobicContact CD2-CD2 3.94Å; W217-L272 HydrophobicContact CE3-CD2 4.12Å; W217-L272 HydrophobicContact CG-CD2 4.41Å; W217-L272 HydrophobicContact CZ2-CD2 4.39Å; W217-L272 HydrophobicContact CZ3-CB 4.27Å; W217-L272 HydrophobicContact CZ3-CD2 4.43Å; W217-V274 HydrophobicContact CZ3-CG2 4.45Å |
| 218 | A | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 12 Ų | 12 | 4% | 0.041 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.2 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L154 V214 D215 G220 V221 I222 | L154-A218 HydrophobicContact CB-CB 3.75Å; V214-A218 PolarHBondContact O-N 3.46Å; V214-A218 VanDerWaalsContact O-N 3.15Å; D215-A218 PolarHBondContact O-N 2.89Å; A218-G220 VanDerWaalsContact C-N 3.29Å; A218-G220 PolarHBondContact O-N 3.46Å; A218-V221 PolarHBondContact O-N 3.45Å; A218-V221 VanDerWaalsContact O-N 3.16Å; A218-I222 VanDerWaalsContact O-CG1 3.28Å; A218-I222 WeakPolarHBondContact O-CG1 3.42Å; A218-I222 PolarHBondContact O-N 3.45Å |
| 219 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.3 | -39.2 | 170.4 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | M134 L138 D215 L216 W217 I222 L223 | M134-C219 HydrophobicContact CE-CB 4.11Å; M134-C219 WeakPolarHBondContact CE-O 3.49Å; L138-C219 HydrophobicContact CD2-CB 4.24Å; D215-C219 PolarHBondContact O-N 2.67Å; D215-C219 PolarHBondContact O-SG 3.35Å; L216-C219 WeakPolarHBondContact O-CB 3.39Å; L216-C219 PolarHBondContact O-N 3.3Å; W217-C219 VanDerWaalsContact C-N 3.31Å; W217-C219 PolarHBondContact O-N 3.48Å; C219-I222 PolarHBondContact O-N 2.75Å; C219-L223 VanDerWaalsContact O-CB 3.32Å; C219-L223 WeakPolarHBondContact O-CB 3.44Å; C219-L223 PolarHBondContact O-N 3.48Å |
| 220 | G | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L216 W217 A218 L223 F224 | L216-G220 PolarHBondContact O-N 3.21Å; W217-G220 WeakPolarHBondContact O-CA 3.25Å; W217-G220 PolarHBondContact O-N 3.39Å; A218-G220 VanDerWaalsContact C-N 3.29Å; A218-G220 PolarHBondContact O-N 3.46Å; G220-L223 PolarHBondContact O-N 2.86Å; G220-F224 WeakPolarHBondContact O-CB 3.23Å; G220-F224 PolarHBondContact O-N 2.94Å |
| 221 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.4 | 178 | 0 | 0 | 0 | 0 | 110.8 | Y193 W217 A218 F224 T225 P232 F233 L272 | Y193-V221 HydrophobicContact CD1-CB 3.82Å; Y193-V221 HydrophobicContact CD1-CG1 3.4Å; Y193-V221 VanDerWaalsContact CD1-CG1 3.4Å; Y193-V221 HydrophobicContact CE1-CB 4.25Å; Y193-V221 HydrophobicContact CE1-CG1 3.51Å; Y193-V221 HydrophobicContact CG-CG1 4.25Å; W217-V221 PolarHBondContact O-N 3.01Å; A218-V221 PolarHBondContact O-N 3.45Å; A218-V221 VanDerWaalsContact O-N 3.16Å; V221-F224 PolarHBondContact O-N 3.38Å; V221-T225 VanDerWaalsContact O-CB 3.29Å; V221-T225 WeakPolarHBondContact O-CB 3.32Å; V221-T225 PolarHBondContact O-N 2.82Å; V221-T225 PolarHBondContact O-OG1 3.48Å; V221-P232 HydrophobicContact CB-CG 4.36Å; V221-P232 HydrophobicContact CG1-CG 4.02Å; V221-P232 HydrophobicContact CG2-CG 4.22Å; V221-F233 HydrophobicContact CG2-CD2 4.41Å; V221-F233 HydrophobicContact CG2-CE2 4.14Å; V221-L272 HydrophobicContact CG2-CD2 3.78Å |
| 222 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -51.2 | 175.5 | -67.1 | 162.5 | 0 | 0 | 0 | 110.1 | M134 L137 L154 P156 I159 Y193 A218 C219 F224 T225 L226 | M134-I222 HydrophobicContact SD-CG2 3.93Å; L137-I222 HydrophobicContact CD2-CD1 3.99Å; L137-I222 HydrophobicContact CD2-CG2 4.29Å; L154-I222 HydrophobicContact CB-CD1 4.17Å; P156-I222 HydrophobicContact CG-CG1 4.36Å; I159-I222 HydrophobicContact CD1-CD1 4.04Å; I159-I222 HydrophobicContact CD1-CG2 4.45Å; Y193-I222 HydrophobicContact CD1-CG1 4.25Å; Y193-I222 HydrophobicContact CE1-CG1 3.98Å; A218-I222 VanDerWaalsContact O-CG1 3.28Å; A218-I222 WeakPolarHBondContact O-CG1 3.42Å; A218-I222 PolarHBondContact O-N 3.45Å; C219-I222 PolarHBondContact O-N 2.75Å; I222-F224 VanDerWaalsContact C-N 3.31Å; I222-F224 PolarHBondContact O-N 3.14Å; I222-T225 PolarHBondContact O-N 2.92Å; I222-L226 HydrophobicContact CG2-CD1 3.89Å; I222-L226 HydrophobicContact CG2-CG 4.08Å; I222-L226 VanDerWaalsContact O-CG 3.3Å; I222-L226 WeakPolarHBondContact O-CG 3.43Å; I222-L226 PolarHBondContact O-N 3.47Å |
| 223 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -55.8 | -45.3 | 178.9 | 172.9 | 59.8 | 0 | 0 | 0 | 111.8 | T130 M134 C219 G220 L227 V264 L267 I268 L271 F290 | T130-L223 HydrophobicContact CG2-CD1 3.48Å; T130-L223 VanDerWaalsContact CG2-CD1 3.48Å; M134-L223 HydrophobicContact CE-CB 3.97Å; M134-L223 HydrophobicContact CG-CB 4.35Å; M134-L223 HydrophobicContact CG-CD1 3.87Å; M134-L223 HydrophobicContact SD-CB 4.04Å; C219-L223 VanDerWaalsContact O-CB 3.32Å; C219-L223 WeakPolarHBondContact O-CB 3.44Å; C219-L223 PolarHBondContact O-N 3.48Å; G220-L223 PolarHBondContact O-N 2.86Å; L223-L227 HydrophobicContact CD1-CD1 3.89Å; L223-L227 HydrophobicContact CG-CD1 4.47Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.23Å; L223-V264 HydrophobicContact CD1-CG2 3.93Å; L223-V264 HydrophobicContact CD2-CG2 4.44Å; L223-V264 HydrophobicContact CG-CG2 4.48Å; L223-L267 HydrophobicContact CD2-CB 4.28Å; L223-L267 HydrophobicContact CD2-CD2 3.7Å; L223-L267 HydrophobicContact CD2-CG 3.73Å; L223-I268 HydrophobicContact CB-CG1 4.35Å; L223-I268 HydrophobicContact CD2-CD1 4.4Å; L223-I268 HydrophobicContact CD2-CG1 3.45Å; L223-I268 VanDerWaalsContact CD2-CG1 3.45Å; L223-I268 HydrophobicContact CG-CD1 4.08Å; L223-I268 HydrophobicContact CG-CG1 3.55Å; L223-L271 HydrophobicContact CD2-CD1 4.08Å; L223-F290 HydrophobicContact CD1-CE1 4.47Å |
| 224 | F | 98.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 9.5 Ų | 9.5 | 3% | 0.031 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.1 | -49.1 | 174.8 | -174.7 | -74.6 | 0 | 0 | 0 | 110.9 | G220 V221 I222 L226 L227 A228 S230 P232 Y250 F252 W257 I268 | G220-F224 WeakPolarHBondContact O-CB 3.23Å; G220-F224 PolarHBondContact O-N 2.94Å; V221-F224 PolarHBondContact O-N 3.38Å; I222-F224 VanDerWaalsContact C-N 3.31Å; I222-F224 PolarHBondContact O-N 3.14Å; F224-L226 PolarHBondContact O-N 2.9Å; F224-L227 PolarHBondContact O-N 3Å; F224-L227 VanDerWaalsContact O-N 3.17Å; F224-A228 HydrophobicContact CD1-CB 3.97Å; F224-A228 HydrophobicContact CE1-CB 3.67Å; F224-A228 HydrophobicContact CZ-CB 4.42Å; F224-A228 WeakPolarHBondContact O-CB 3.3Å; F224-A228 PolarHBondContact O-N 3.45Å; F224-S230 WeakPolarHBondContact CD1-O 3.32Å; F224-S230 WeakPolarHBondContact CE1-O 3.44Å; F224-P232 HydrophobicContact CB-CB 4.38Å; F224-P232 HydrophobicContact CB-CG 4.17Å; F224-P232 HydrophobicContact CD1-CB 3.74Å; F224-P232 HydrophobicContact CD1-CG 4.06Å; F224-P232 HydrophobicContact CD2-CB 3.85Å; F224-P232 HydrophobicContact CE1-CB 3.91Å; F224-P232 HydrophobicContact CE2-CB 4.02Å; F224-P232 HydrophobicContact CG-CB 3.73Å; F224-P232 HydrophobicContact CG-CG 4.02Å; F224-P232 HydrophobicContact CZ-CB 4.04Å; F224-Y250 HydrophobicContact CD2-CD2 4.35Å; F224-Y250 HydrophobicContact CE2-CD2 4.04Å; F224-F252 HydrophobicContact CD2-CD1 4.43Å; F224-F252 HydrophobicContact CD2-CE1 4.07Å; F224-F252 AromaticContact CE2-CD1 3.95Å; F224-F252 HydrophobicContact CE2-CD1 3.95Å; F224-F252 HydrophobicContact CE2-CE1 4.02Å; F224-W257 AromaticContact CD1-CZ2 3.96Å; F224-W257 HydrophobicContact CD1-CZ2 3.96Å; F224-W257 AromaticContact CD2-CH2 3.98Å; F224-W257 HydrophobicContact CD2-CH2 3.98Å; F224-W257 AromaticContact CD2-CZ2 3.43Å; F224-W257 HydrophobicContact CD2-CZ2 3.43Å; F224-W257 VanDerWaalsContact CD2-CZ2 3.43Å; F224-W257 AromaticContact CE1-CZ2 3.94Å; F224-W257 HydrophobicContact CE1-CZ2 3.94Å; F224-W257 AromaticContact CE2-CE2 3.78Å; F224-W257 HydrophobicContact CE2-CH2 4.31Å; F224-W257 AromaticContact CE2-CZ2 3.42Å; F224-W257 HydrophobicContact CE2-CZ2 3.42Å; F224-W257 VanDerWaalsContact CE2-CZ2 3.42Å; F224-W257 AromaticContact CE2-NE1 3.87Å; F224-W257 HydrophobicContact CG-CH2 4.27Å; F224-W257 AromaticContact CG-CZ2 3.71Å; F224-W257 HydrophobicContact CG-CZ2 3.71Å; F224-W257 AromaticContact CZ-CE2 3.83Å; F224-W257 AromaticContact CZ-CZ2 3.68Å; F224-W257 HydrophobicContact CZ-CZ2 3.68Å; F224-W257 AromaticContact CZ-NE1 3.51Å; F224-I268 HydrophobicContact CB-CD1 4.38Å; F224-I268 HydrophobicContact CB-CG2 4.45Å; F224-I268 HydrophobicContact CD2-CD1 4.47Å; F224-I268 HydrophobicContact CD2-CG2 4.13Å |
| 225 | T | 97.3 | Very high | 96.3 | Very high | 6 Ų | 6 | 12.7 Ų | 12.7 | 4% | 0.037 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.2 | -38.8 | -173.8 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | L119 V221 I222 L227 G229 P231 | L119-T225 HydrophobicContact CD2-CG2 3.78Å; V221-T225 VanDerWaalsContact O-CB 3.29Å; V221-T225 WeakPolarHBondContact O-CB 3.32Å; V221-T225 PolarHBondContact O-N 2.82Å; V221-T225 PolarHBondContact O-OG1 3.48Å; I222-T225 PolarHBondContact O-N 2.92Å; T225-L227 PolarHBondContact O-N 3.46Å; T225-G229 VanDerWaalsContact O-CA 3.28Å; T225-G229 WeakPolarHBondContact O-CA 3.44Å; T225-G229 PolarHBondContact O-N 3.22Å; T225-P231 WeakPolarHBondContact OG1-CA 3.44Å |
| 226 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61 | -32.8 | 175.1 | -67.3 | 178.4 | 0 | 0 | 0 | 112.2 | L115 L119 L125 T130 I133 M134 I222 F224 | L115-L226 HydrophobicContact CD1-CD2 4.08Å; L115-L226 HydrophobicContact CD2-CD1 4.44Å; L115-L226 HydrophobicContact CD2-CD2 3.97Å; L115-L226 HydrophobicContact CG-CD2 4.06Å; L119-L226 HydrophobicContact CD1-CD2 4.37Å; L119-L226 HydrophobicContact CD2-CD2 4.29Å; L125-L226 HydrophobicContact CD1-CB 4.41Å; L125-L226 HydrophobicContact CD1-CD2 3.88Å; L125-L226 PolarHBondContact N-O 3.15Å; T130-L226 HydrophobicContact CG2-CB 4.06Å; T130-L226 HydrophobicContact CG2-CD1 4.13Å; I133-L226 HydrophobicContact CG2-CD1 3.91Å; M134-L226 HydrophobicContact CG-CD1 4.3Å; M134-L226 HydrophobicContact SD-CD1 4.04Å; I222-L226 HydrophobicContact CG2-CD1 3.89Å; I222-L226 HydrophobicContact CG2-CG 4.08Å; I222-L226 VanDerWaalsContact O-CG 3.3Å; I222-L226 WeakPolarHBondContact O-CG 3.43Å; I222-L226 PolarHBondContact O-N 3.47Å; F224-L226 PolarHBondContact O-N 2.9Å |
| 227 | L | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -90.9 | -39.8 | -177 | -67.1 | 167.5 | 0 | 0 | 0 | 113.5 | E127 T130 L223 F224 T225 W257 R260 V264 I268 | E127-L227 HydrophobicContact CG-CD2 3.85Å; T130-L227 HydrophobicContact CG2-CD1 4.39Å; T130-L227 HydrophobicContact CG2-CD2 4.07Å; T130-L227 HydrophobicContact CG2-CG 4.02Å; T130-L227 WeakPolarHBondContact OG1-CD2 3.43Å; L223-L227 HydrophobicContact CD1-CD1 3.89Å; L223-L227 HydrophobicContact CG-CD1 4.47Å; L223-L227 WeakPolarHBondContact O-CG 3.49Å; L223-L227 PolarHBondContact O-N 3.23Å; F224-L227 PolarHBondContact O-N 3Å; F224-L227 VanDerWaalsContact O-N 3.17Å; T225-L227 PolarHBondContact O-N 3.46Å; L227-W257 HydrophobicContact CB-CH2 3.86Å; L227-W257 HydrophobicContact CB-CZ2 4.47Å; L227-W257 HydrophobicContact CB-CZ3 4.29Å; L227-W257 HydrophobicContact CD1-CH2 4.12Å; L227-W257 HydrophobicContact CD1-CZ3 4.18Å; L227-R260 PolarHBondContact O-NH2 3.49Å; L227-V264 HydrophobicContact CD1-CB 4.37Å; L227-V264 HydrophobicContact CD1-CG1 4.04Å; L227-V264 HydrophobicContact CD1-CG2 3.41Å; L227-V264 VanDerWaalsContact CD1-CG2 3.41Å; L227-I268 HydrophobicContact CD1-CD1 4.21Å |
| 228 | A | 93.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -81.3 | -32 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F224 W257 | F224-A228 HydrophobicContact CD1-CB 3.97Å; F224-A228 HydrophobicContact CE1-CB 3.67Å; F224-A228 HydrophobicContact CZ-CB 4.42Å; F224-A228 WeakPolarHBondContact O-CB 3.3Å; F224-A228 PolarHBondContact O-N 3.45Å; A228-W257 HydrophobicContact CB-CZ2 3.82Å |
| 229 | G | 90.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 34 Ų | 34 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 78.5 | 6.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V123 T225 R370 | V123-G229 WeakPolarHBondContact O-CA 3.42Å; T225-G229 VanDerWaalsContact O-CA 3.28Å; T225-G229 WeakPolarHBondContact O-CA 3.44Å; T225-G229 PolarHBondContact O-N 3.22Å; G229-R370 WeakPolarHBondContact O-CD 3.3Å; G229-R370 PolarHBondContact O-NE 3.48Å |
| 230 | S | 90.8 | Very high | 93.8 | Very high | 46 Ų | 46 | 36.9 Ų | 36.9 | 32% | 0.322 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -145.5 | 151 | 176.8 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | F224 | F224-S230 WeakPolarHBondContact CD1-O 3.32Å; F224-S230 WeakPolarHBondContact CE1-O 3.44Å |
| 231 | P | 94.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 8% | 0.078 | 17% | 0.171 | C | C | . | . | trans | -66.4 | 151.4 | 178.2 | 29.2 | -38.4 | 0 | 0 | 0 | 112.6 | T225 F233 W234 | T225-P231 WeakPolarHBondContact OG1-CA 3.44Å; P231-F233 VanDerWaalsContact C-N 3.34Å; P231-W234 HydrophobicContact CG-CB 3.96Å; P231-W234 HydrophobicContact CG-CG 4.45Å | ||
| 232 | P | 96.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 8% | 0.078 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -67.4 | -34.1 | 175.9 | 24.5 | -30.1 | 0 | 0 | 0 | 112.8 | V221 F224 Y250 L272 | V221-P232 HydrophobicContact CB-CG 4.36Å; V221-P232 HydrophobicContact CG1-CG 4.02Å; V221-P232 HydrophobicContact CG2-CG 4.22Å; F224-P232 HydrophobicContact CB-CB 4.38Å; F224-P232 HydrophobicContact CB-CG 4.17Å; F224-P232 HydrophobicContact CD1-CB 3.74Å; F224-P232 HydrophobicContact CD1-CG 4.06Å; F224-P232 HydrophobicContact CD2-CB 3.85Å; F224-P232 HydrophobicContact CE1-CB 3.91Å; F224-P232 HydrophobicContact CE2-CB 4.02Å; F224-P232 HydrophobicContact CG-CB 3.73Å; F224-P232 HydrophobicContact CG-CG 4.02Å; F224-P232 HydrophobicContact CZ-CB 4.04Å; P232-Y250 HydrophobicContact CB-CG 4.35Å; P232-L272 HydrophobicContact CB-CD1 4.31Å; P232-L272 HydrophobicContact CG-CD1 4.26Å |
| 233 | F | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -115 | 114.9 | 179.6 | -45.1 | -72.4 | 0 | 0 | 0 | 108.8 | W217 V221 P231 M241 M244 I245 Y250 L272 | W217-F233 AromaticContact CE2-CE2 3.97Å; W217-F233 HydrophobicContact CH2-CE2 4.1Å; W217-F233 AromaticContact CH2-CZ 3.73Å; W217-F233 HydrophobicContact CH2-CZ 3.73Å; W217-F233 HydrophobicContact CZ2-CD2 4.29Å; W217-F233 HydrophobicContact CZ2-CE1 4.45Å; W217-F233 AromaticContact CZ2-CE2 3.34Å; W217-F233 HydrophobicContact CZ2-CE2 3.34Å; W217-F233 AromaticContact CZ2-CZ 3.44Å; W217-F233 HydrophobicContact CZ2-CZ 3.44Å; W217-F233 VanDerWaalsContact CZ2-CZ 3.44Å; V221-F233 HydrophobicContact CG2-CD2 4.41Å; V221-F233 HydrophobicContact CG2-CE2 4.14Å; P231-F233 VanDerWaalsContact C-N 3.34Å; F233-M241 HydrophobicContact CB-CG 4.3Å; F233-M244 HydrophobicContact CD1-CB 4.15Å; F233-I245 HydrophobicContact CB-CD1 4.34Å; F233-I245 HydrophobicContact CB-CG1 3.68Å; F233-I245 HydrophobicContact CD1-CG1 4.2Å; F233-I245 HydrophobicContact CD2-CG1 3.74Å; F233-I245 HydrophobicContact CE2-CG1 4.46Å; F233-I245 HydrophobicContact CG-CG1 3.59Å; F233-Y250 AromaticContact CE1-CD1 3.99Å; F233-Y250 HydrophobicContact CE1-CD1 3.99Å; F233-Y250 HydrophobicContact CE1-CG 4.36Å; F233-Y250 AromaticContact CZ-CD1 3.91Å; F233-Y250 HydrophobicContact CZ-CD1 3.91Å; F233-Y250 HydrophobicContact CZ-CG 4.43Å; F233-L272 HydrophobicContact CE2-CD1 4.47Å; F233-L272 HydrophobicContact CE2-CD2 4.32Å; F233-L272 HydrophobicContact CZ-CD1 4.41Å |
| 234 | W | 90.9 | Very high | 92.9 | Very high | 85 Ų | 85 | 46.3 Ų | 46.3 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | trans | -154.4 | 135.1 | 174.3 | -175.2 | 81.3 | 0 | 0 | 0 | 111.7 | P231 A371 Q375 | P231-W234 HydrophobicContact CG-CB 3.96Å; P231-W234 HydrophobicContact CG-CG 4.45Å; W234-A371 HydrophobicContact CB-CB 4.45Å; W234-A371 HydrophobicContact CD2-CB 3.4Å; W234-A371 HydrophobicContact CE3-CB 4.05Å; W234-A371 HydrophobicContact CG-CB 3.56Å; W234-A371 HydrophobicContact CH2-CB 4.46Å; W234-A371 HydrophobicContact CZ2-CB 3.9Å; W234-Q375 HydrophobicContact CH2-CG 4.26Å | ||
| 235 | H | 90.8 | Very high | 92.8 | Very high | 72 Ų | 72 | 46 Ų | 46 | 33% | 0.333 | 21% | 0.207 | S | C | . | . | trans | -150.9 | 150.8 | 170.8 | -168.7 | -88.6 | 0 | 0 | 0 | 109.6 | R237 L240 M241 M244 | H235-R237 VanDerWaalsContact C-N 3.27Å; H235-R237 PolarHBondContact ND1-N 3.36Å; H235-R237 PolarHBondContact ND1-O 2.94Å; H235-R237 PolarHBondContact O-N 2.82Å; H235-L240 HydrophobicContact CB-CB 4.08Å; H235-L240 WeakPolarHBondContact CE1-CD1 3.41Å; H235-L240 WeakPolarHBondContact ND1-CB 2.95Å; H235-M241 HydrophobicContact CB-CB 4.13Å; H235-M244 HydrophobicContact CB-SD 4.47Å | ||
| 236 | R | 85.6 | Confident | 92.7 | Very high | 173 Ų | 173 | 47.5 Ų | 47.5 | 65% | 0.653 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -62.2 | -35.9 | 179.7 | -176.1 | 178.1 | 177.7 | -174.5 | -0.3 | 112.8 | ||
| 237 | R | 88.1 | Confident | 92.6 | Very high | 148 Ų | 148 | 51.4 Ų | 51.4 | 56% | 0.558 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -90.4 | 116.9 | 170.9 | -62.4 | 179.1 | 63.8 | -170.8 | -0.8 | 108.6 | H235 I239 L240 M241 | H235-R237 VanDerWaalsContact C-N 3.27Å; H235-R237 PolarHBondContact ND1-N 3.36Å; H235-R237 PolarHBondContact ND1-O 2.94Å; H235-R237 PolarHBondContact O-N 2.82Å; R237-I239 VanDerWaalsContact C-N 3.26Å; R237-I239 HydrophobicContact CB-CG2 4.25Å; R237-I239 PolarHBondContact O-N 3.08Å; R237-L240 HydrophobicContact CB-CD1 4.24Å; R237-L240 HydrophobicContact CB-CG 4.34Å; R237-L240 PolarHBondContact O-N 3.34Å; R237-L240 VanDerWaalsContact O-N 3.07Å; R237-M241 PolarHBondContact O-N 3.46Å |
| 238 | Q | 87.8 | Confident | 92.5 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53.2 | -43 | -179.1 | -178.9 | 167 | -41.1 | 0 | 0 | 112 | L240 M241 L242 | Q238-L240 PolarHBondContact O-N 3.25Å; Q238-L240 VanDerWaalsContact O-N 3.15Å; Q238-M241 HydrophobicContact CG-CE 4.2Å; Q238-M241 WeakPolarHBondContact O-CA 3.47Å; Q238-M241 VanDerWaalsContact O-CB 3.32Å; Q238-M241 WeakPolarHBondContact O-CB 3.3Å; Q238-M241 PolarHBondContact O-N 3.04Å; Q238-L242 HydrophobicContact CG-CD1 4.28Å; Q238-L242 HydrophobicContact CG-CG 4.24Å; Q238-L242 WeakPolarHBondContact O-CG 3.46Å; Q238-L242 PolarHBondContact O-N 2.85Å |
| 239 | I | 87.9 | Confident | 92.6 | Very high | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.195 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.5 | -37.7 | 178.2 | -158.4 | 71 | 0 | 0 | 0 | 114 | R237 R243 V404 | R237-I239 VanDerWaalsContact C-N 3.26Å; R237-I239 HydrophobicContact CB-CG2 4.25Å; R237-I239 PolarHBondContact O-N 3.08Å; I239-R243 PolarHBondContact O-N 3.38Å; I239-V404 HydrophobicContact CD1-CB 4.5Å; I239-V404 HydrophobicContact CD1-CG2 3.3Å; I239-V404 HydrophobicContact CG1-CG2 4.05Å |
| 240 | L | 92.8 | Very high | 92.9 | Very high | 60 Ų | 60 | 59 Ų | 59 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -77.4 | -31.9 | 178.7 | -66.8 | 176.2 | 0 | 0 | 0 | 111.5 | H235 R237 Q238 R243 M244 | H235-L240 HydrophobicContact CB-CB 4.08Å; H235-L240 WeakPolarHBondContact CE1-CD1 3.41Å; H235-L240 WeakPolarHBondContact ND1-CB 2.95Å; R237-L240 HydrophobicContact CB-CD1 4.24Å; R237-L240 HydrophobicContact CB-CG 4.34Å; R237-L240 PolarHBondContact O-N 3.34Å; R237-L240 VanDerWaalsContact O-N 3.07Å; Q238-L240 PolarHBondContact O-N 3.25Å; Q238-L240 VanDerWaalsContact O-N 3.15Å; L240-R243 PolarHBondContact O-N 3.23Å; L240-M244 VanDerWaalsContact O-CG 3.3Å; L240-M244 WeakPolarHBondContact O-CG 3.34Å; L240-M244 PolarHBondContact O-N 3.3Å |
| 241 | M | 93.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 171.4 | -180 | -174.2 | 74.6 | 0 | 0 | 110.9 | P191 F233 H235 R237 Q238 R243 M244 I245 | P191-M241 HydrophobicContact CB-CE 3.75Å; F233-M241 HydrophobicContact CB-CG 4.3Å; H235-M241 HydrophobicContact CB-CB 4.13Å; R237-M241 PolarHBondContact O-N 3.46Å; Q238-M241 HydrophobicContact CG-CE 4.2Å; Q238-M241 WeakPolarHBondContact O-CA 3.47Å; Q238-M241 VanDerWaalsContact O-CB 3.32Å; Q238-M241 WeakPolarHBondContact O-CB 3.3Å; Q238-M241 PolarHBondContact O-N 3.04Å; M241-R243 VanDerWaalsContact C-N 3.32Å; M241-R243 PolarHBondContact O-N 3.44Å; M241-M244 WeakPolarHBondContact O-CB 3.18Å; M241-M244 PolarHBondContact O-N 2.84Å; M241-I245 HydrophobicContact CG-CD1 4.32Å; M241-I245 WeakPolarHBondContact O-CG1 3.06Å; M241-I245 PolarHBondContact O-N 2.84Å |
| 242 | L | 92.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 65.7 Ų | 65.7 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.7 | -62.9 | -178.2 | 0 | 0 | 0 | 111.4 | P191 L199 Q238 M244 I245 M246 | P191-L242 HydrophobicContact CB-CD2 4.49Å; L199-L242 HydrophobicContact CD1-CB 4.19Å; L199-L242 HydrophobicContact CD1-CD2 3.99Å; L199-L242 HydrophobicContact CD2-CD2 3.95Å; Q238-L242 HydrophobicContact CG-CD1 4.28Å; Q238-L242 HydrophobicContact CG-CG 4.24Å; Q238-L242 WeakPolarHBondContact O-CG 3.46Å; Q238-L242 PolarHBondContact O-N 2.85Å; L242-M244 PolarHBondContact O-N 2.91Å; L242-I245 HydrophobicContact CD2-CD1 4.39Å; L242-I245 WeakPolarHBondContact O-CB 3.2Å; L242-I245 PolarHBondContact O-N 3.16Å; L242-M246 WeakPolarHBondContact O-CG 3.48Å; L242-M246 PolarHBondContact O-N 3.26Å |
| 243 | R | 93.9 | Very high | 92.7 | Very high | 113 Ų | 113 | 67 Ų | 67 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 172.8 | -176 | 175.6 | 176.1 | 166.4 | 2.7 | 112.6 | I239 L240 M241 I245 M246 E247 | I239-R243 PolarHBondContact O-N 3.38Å; L240-R243 PolarHBondContact O-N 3.23Å; M241-R243 VanDerWaalsContact C-N 3.32Å; M241-R243 PolarHBondContact O-N 3.44Å; R243-I245 VanDerWaalsContact C-N 3.28Å; R243-I245 PolarHBondContact O-N 3.21Å; R243-M246 PolarHBondContact O-N 3.36Å; R243-E247 HydrophobicContact CG-CG 4.42Å; R243-E247 WeakPolarHBondContact CG-OE1 3.47Å; R243-E247 IonicContact CZ-OE1 3.33Å; R243-E247 IonicContact NE-OE1 2.68Å; R243-E247 PolarHBondContact NE-OE1 3.5Å; R243-E247 IonicContact NH2-OE1 2.89Å; R243-E247 PolarHBondContact NH2-OE1 3.31Å; R243-E247 WeakPolarHBondContact O-CB 3.4Å; R243-E247 WeakPolarHBondContact O-CG 3.48Å; R243-E247 PolarHBondContact O-N 3.37Å |
| 244 | M | 96 | Very high | 91.8 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 175.5 | -68.8 | 171.9 | 70.5 | 0 | 0 | 112.2 | F233 H235 L240 M241 L242 G248 Q249 | F233-M244 HydrophobicContact CD1-CB 4.15Å; H235-M244 HydrophobicContact CB-SD 4.47Å; L240-M244 VanDerWaalsContact O-CG 3.3Å; L240-M244 WeakPolarHBondContact O-CG 3.34Å; L240-M244 PolarHBondContact O-N 3.3Å; M241-M244 WeakPolarHBondContact O-CB 3.18Å; M241-M244 PolarHBondContact O-N 2.84Å; L242-M244 PolarHBondContact O-N 2.91Å; M244-G248 PolarHBondContact O-N 2.79Å; M244-Q249 PolarHBondContact O-N 3.41Å |
| 245 | I | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -53.2 | 175.1 | -69.4 | 166.5 | 0 | 0 | 0 | 109.8 | P191 L194 P196 L199 W217 F233 M241 L242 R243 E247 G248 | P191-I245 VanDerWaalsContact O-CD1 3.25Å; P191-I245 WeakPolarHBondContact O-CD1 3.46Å; L194-I245 VanDerWaalsContact O-CG2 3.22Å; L194-I245 WeakPolarHBondContact O-CG2 3.48Å; P196-I245 HydrophobicContact CG-CG2 4.29Å; P196-I245 WeakPolarHBondContact CG-O 3.29Å; L199-I245 HydrophobicContact CD1-CB 4.06Å; L199-I245 HydrophobicContact CD1-CG2 3.69Å; W217-I245 HydrophobicContact CZ2-CG2 3.91Å; F233-I245 HydrophobicContact CB-CD1 4.34Å; F233-I245 HydrophobicContact CB-CG1 3.68Å; F233-I245 HydrophobicContact CD1-CG1 4.2Å; F233-I245 HydrophobicContact CD2-CG1 3.74Å; F233-I245 HydrophobicContact CE2-CG1 4.46Å; F233-I245 HydrophobicContact CG-CG1 3.59Å; M241-I245 HydrophobicContact CG-CD1 4.32Å; M241-I245 WeakPolarHBondContact O-CG1 3.06Å; M241-I245 PolarHBondContact O-N 2.84Å; L242-I245 HydrophobicContact CD2-CD1 4.39Å; L242-I245 WeakPolarHBondContact O-CB 3.2Å; L242-I245 PolarHBondContact O-N 3.16Å; R243-I245 VanDerWaalsContact C-N 3.28Å; R243-I245 PolarHBondContact O-N 3.21Å; I245-E247 VanDerWaalsContact C-N 3.26Å; I245-E247 PolarHBondContact O-N 3.19Å; I245-G248 PolarHBondContact O-N 3.49Å |
| 246 | M | 94.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 69 Ų | 69 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -37.5 | -178.7 | -70.5 | 174.1 | 72.3 | 0 | 0 | 113.2 | L199 K200 M203 L242 R243 G248 V404 | L199-M246 HydrophobicContact CB-CG 3.95Å; L199-M246 HydrophobicContact CB-SD 4.27Å; L199-M246 HydrophobicContact CD1-CG 3.77Å; K200-M246 HydrophobicContact CG-CE 4.17Å; M203-M246 HydrophobicContact CE-SD 4Å; M203-M246 HydrophobicContact SD-CE 3.85Å; M203-M246 HydrophobicContact SD-SD 3.95Å; L242-M246 WeakPolarHBondContact O-CG 3.48Å; L242-M246 PolarHBondContact O-N 3.26Å; R243-M246 PolarHBondContact O-N 3.36Å; M246-G248 VanDerWaalsContact C-N 3.34Å; M246-V404 HydrophobicContact SD-CG1 4.06Å |
| 247 | E | 95.3 | Very high | 91.5 | Very high | 82 Ų | 82 | 61 Ų | 61 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -5.7 | 178.3 | -64.6 | 176 | -176.4 | 0 | 0 | 112.9 | R243 I245 Q249 | R243-E247 HydrophobicContact CG-CG 4.42Å; R243-E247 WeakPolarHBondContact CG-OE1 3.47Å; R243-E247 IonicContact CZ-OE1 3.33Å; R243-E247 IonicContact NE-OE1 2.68Å; R243-E247 PolarHBondContact NE-OE1 3.5Å; R243-E247 IonicContact NH2-OE1 2.89Å; R243-E247 PolarHBondContact NH2-OE1 3.31Å; R243-E247 WeakPolarHBondContact O-CB 3.4Å; R243-E247 WeakPolarHBondContact O-CG 3.48Å; R243-E247 PolarHBondContact O-N 3.37Å; I245-E247 VanDerWaalsContact C-N 3.26Å; I245-E247 PolarHBondContact O-N 3.19Å; E247-Q249 HydrophobicContact CB-CG 3.86Å; E247-Q249 PolarHBondContact O-N 2.9Å; E247-Q249 PolarHBondContact OE2-NE2 3.37Å; E247-Q249 PolarHBondContact OE2-OE1 3.38Å |
| 248 | G | 96.1 | Very high | 91.3 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 27.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M244 I245 M246 Y250 | M244-G248 PolarHBondContact O-N 2.79Å; I245-G248 PolarHBondContact O-N 3.49Å; M246-G248 VanDerWaalsContact C-N 3.34Å; G248-Y250 WeakPolarHBondContact O-CD1 3.3Å; G248-Y250 PolarHBondContact O-N 3.18Å |
| 249 | Q | 94.8 | Very high | 91.2 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 51% | 0.505 | 29% | 0.288 | S | S | . | . | trans | -85.5 | 95.7 | -174.2 | -73.8 | -176.2 | 9.4 | 0 | 0 | 111.9 | M244 E247 | M244-Q249 PolarHBondContact O-N 3.41Å; E247-Q249 HydrophobicContact CB-CG 3.86Å; E247-Q249 PolarHBondContact O-N 2.9Å; E247-Q249 PolarHBondContact OE2-NE2 3.37Å; E247-Q249 PolarHBondContact OE2-OE1 3.38Å | ||
| 250 | Y | 96.7 | Very high | 91.4 | Very high | 51 Ų | 51 | 55.9 Ų | 55.9 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | trans | -131.5 | 163.2 | 168.2 | 67.7 | -83.2 | 0 | 0 | 0 | 110.3 | F224 P232 F233 G248 F252 I268 S269 L272 | F224-Y250 HydrophobicContact CD2-CD2 4.35Å; F224-Y250 HydrophobicContact CE2-CD2 4.04Å; P232-Y250 HydrophobicContact CB-CG 4.35Å; F233-Y250 AromaticContact CE1-CD1 3.99Å; F233-Y250 HydrophobicContact CE1-CD1 3.99Å; F233-Y250 HydrophobicContact CE1-CG 4.36Å; F233-Y250 AromaticContact CZ-CD1 3.91Å; F233-Y250 HydrophobicContact CZ-CD1 3.91Å; F233-Y250 HydrophobicContact CZ-CG 4.43Å; G248-Y250 WeakPolarHBondContact O-CD1 3.3Å; G248-Y250 PolarHBondContact O-N 3.18Å; Y250-F252 HydrophobicContact CD2-CZ 4.49Å; Y250-F252 HydrophobicContact CE2-CE1 4.11Å; Y250-F252 AromaticContact CE2-CE2 3.97Å; Y250-F252 HydrophobicContact CE2-CE2 3.97Å; Y250-F252 AromaticContact CE2-CZ 3.67Å; Y250-F252 HydrophobicContact CE2-CZ 3.67Å; Y250-I268 HydrophobicContact CE2-CG2 4.2Å; Y250-S269 VanDerWaalsContact OH-CA 3.23Å; Y250-S269 WeakPolarHBondContact OH-CA 3.46Å; Y250-S269 WeakPolarHBondContact OH-CB 3.38Å; Y250-S269 PolarHBondContact OH-OG 3.35Å; Y250-L272 HydrophobicContact CD1-CB 4.4Å; Y250-L272 HydrophobicContact CD1-CD1 4.07Å; Y250-L272 HydrophobicContact CD2-CD1 4.34Å; Y250-L272 HydrophobicContact CE1-CB 3.74Å; Y250-L272 HydrophobicContact CE1-CD1 4.02Å; Y250-L272 HydrophobicContact CE2-CD1 4.29Å; Y250-L272 HydrophobicContact CG-CD1 4.25Å | ||
| 251 | Q | 94.5 | Very high | 91.4 | Very high | 141 Ų | 141 | 54.8 Ų | 54.8 | 66% | 0.659 | 28% | 0.281 | S | S | * | . | trans | -140 | 143 | -178.4 | 51.1 | 171.9 | 14.4 | 0 | 0 | 112.1 | S253 | Q251-S253 VanDerWaalsContact C-N 3.27Å; Q251-S253 WeakPolarHBondContact CG-OG 3.31Å; Q251-S253 PolarHBondContact NE2-OG 3.43Å; Q251-S253 PolarHBondContact O-N 3.13Å; Q251-S253 VanDerWaalsContact O-N 3.12Å | ||
| 252 | F | 95.3 | Very high | 91.4 | Very high | 58 Ų | 58 | 58.2 Ų | 58.2 | 25% | 0.254 | 31% | 0.306 | S | S | . | . | trans | -85.8 | 67.1 | 172.4 | -61 | -60.3 | 0 | 0 | 0 | 110.6 | F224 Y250 W257 K265 I268 | F224-F252 HydrophobicContact CD2-CD1 4.43Å; F224-F252 HydrophobicContact CD2-CE1 4.07Å; F224-F252 AromaticContact CE2-CD1 3.95Å; F224-F252 HydrophobicContact CE2-CD1 3.95Å; F224-F252 HydrophobicContact CE2-CE1 4.02Å; Y250-F252 HydrophobicContact CD2-CZ 4.49Å; Y250-F252 HydrophobicContact CE2-CE1 4.11Å; Y250-F252 AromaticContact CE2-CE2 3.97Å; Y250-F252 HydrophobicContact CE2-CE2 3.97Å; Y250-F252 AromaticContact CE2-CZ 3.67Å; Y250-F252 HydrophobicContact CE2-CZ 3.67Å; F252-W257 HydrophobicContact CB-CB 3.91Å; F252-W257 HydrophobicContact CB-CD2 4.14Å; F252-W257 HydrophobicContact CB-CG 3.81Å; F252-W257 AromaticContact CD1-CD2 3.53Å; F252-W257 HydrophobicContact CD1-CD2 3.53Å; F252-W257 AromaticContact CD1-CE2 3.71Å; F252-W257 AromaticContact CD1-CE3 3.58Å; F252-W257 HydrophobicContact CD1-CE3 3.58Å; F252-W257 HydrophobicContact CD1-CG 4.11Å; F252-W257 HydrophobicContact CD1-CH2 4.08Å; F252-W257 AromaticContact CD1-CZ2 3.99Å; F252-W257 HydrophobicContact CD1-CZ2 3.99Å; F252-W257 AromaticContact CD1-CZ3 3.86Å; F252-W257 HydrophobicContact CD1-CZ3 3.86Å; F252-W257 HydrophobicContact CE1-CD2 4.4Å; F252-W257 HydrophobicContact CE1-CE3 4.13Å; F252-W257 HydrophobicContact CE1-CH2 4.03Å; F252-W257 HydrophobicContact CE1-CZ2 4.25Å; F252-W257 AromaticContact CE1-CZ3 3.94Å; F252-W257 HydrophobicContact CE1-CZ3 3.94Å; F252-W257 HydrophobicContact CG-CD2 4.28Å; F252-W257 HydrophobicContact CG-CE3 4.4Å; F252-W257 HydrophobicContact CG-CG 4.46Å; F252-K265 HydrophobicContact CB-CD 4.5Å; F252-K265 HydrophobicContact CD1-CG 4.17Å; F252-K265 HydrophobicContact CD2-CB 4.37Å; F252-K265 HydrophobicContact CD2-CD 4.25Å; F252-K265 HydrophobicContact CD2-CG 4.29Å; F252-K265 HydrophobicContact CE1-CB 4.34Å; F252-K265 HydrophobicContact CE1-CG 4.13Å; F252-K265 HydrophobicContact CE2-CB 3.92Å; F252-K265 HydrophobicContact CE2-CG 4.26Å; F252-K265 HydrophobicContact CG-CD 4.21Å; F252-K265 HydrophobicContact CG-CG 4.24Å; F252-K265 HydrophobicContact CZ-CB 3.89Å; F252-K265 HydrophobicContact CZ-CG 4.16Å; F252-I268 HydrophobicContact CE1-CB 4.23Å; F252-I268 HydrophobicContact CE1-CD1 3.98Å; F252-I268 HydrophobicContact CE1-CG2 3.9Å; F252-I268 HydrophobicContact CZ-CB 4.05Å; F252-I268 HydrophobicContact CZ-CG2 3.84Å | ||
| 253 | S | 87.3 | Confident | 91.6 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | trans | -68.1 | 145.8 | -172.5 | -58.1 | 0 | 0 | 0 | 0 | 114.2 | Q251 E256 W257 | Q251-S253 VanDerWaalsContact C-N 3.27Å; Q251-S253 WeakPolarHBondContact CG-OG 3.31Å; Q251-S253 PolarHBondContact NE2-OG 3.43Å; Q251-S253 PolarHBondContact O-N 3.13Å; Q251-S253 VanDerWaalsContact O-N 3.12Å; S253-E256 PolarHBondContact O-N 3.19Å; S253-W257 VanDerWaalsContact O-CD1 3.31Å; S253-W257 PolarHBondContact O-N 3.23Å | ||
| 254 | S | 77.2 | Confident | 91.7 | Very high | 80 Ų | 80 | 54.3 Ų | 54.3 | 56% | 0.559 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 148.3 | 166 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | D258 | S254-D258 WeakPolarHBondContact CB-OD1 3.34Å; S254-D258 PolarHBondContact OG-OD1 3.12Å |
| 255 | P | 84.5 | Confident | 91.8 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90 | -8 | 2.9 | 34.7 | -37.4 | 0 | 0 | 0 | 115.4 | W257 D258 | P255-W257 VanDerWaalsContact C-N 3.28Å; P255-W257 PolarHBondContact O-N 3.32Å; P255-D258 PolarHBondContact O-N 3.33Å |
| 256 | E | 85.2 | Confident | 91.9 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34.5 | -168.3 | -68.7 | 66.3 | -141.9 | 0 | 0 | 112.6 | S253 R347 | S253-E256 PolarHBondContact O-N 3.19Å; E256-R347 IonicContact OE1-NH1 3.89Å; E256-R347 PolarHBondContact OE1-NH1 3.43Å |
| 257 | W | 90.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -0.5 | -175.3 | -68.9 | 96.1 | 0 | 0 | 0 | 114.9 | F224 L227 A228 F252 S253 P255 D259 R260 K265 I268 | F224-W257 AromaticContact CD1-CZ2 3.96Å; F224-W257 HydrophobicContact CD1-CZ2 3.96Å; F224-W257 AromaticContact CD2-CH2 3.98Å; F224-W257 HydrophobicContact CD2-CH2 3.98Å; F224-W257 AromaticContact CD2-CZ2 3.43Å; F224-W257 HydrophobicContact CD2-CZ2 3.43Å; F224-W257 VanDerWaalsContact CD2-CZ2 3.43Å; F224-W257 AromaticContact CE1-CZ2 3.94Å; F224-W257 HydrophobicContact CE1-CZ2 3.94Å; F224-W257 AromaticContact CE2-CE2 3.78Å; F224-W257 HydrophobicContact CE2-CH2 4.31Å; F224-W257 AromaticContact CE2-CZ2 3.42Å; F224-W257 HydrophobicContact CE2-CZ2 3.42Å; F224-W257 VanDerWaalsContact CE2-CZ2 3.42Å; F224-W257 AromaticContact CE2-NE1 3.87Å; F224-W257 HydrophobicContact CG-CH2 4.27Å; F224-W257 AromaticContact CG-CZ2 3.71Å; F224-W257 HydrophobicContact CG-CZ2 3.71Å; F224-W257 AromaticContact CZ-CE2 3.83Å; F224-W257 AromaticContact CZ-CZ2 3.68Å; F224-W257 HydrophobicContact CZ-CZ2 3.68Å; F224-W257 AromaticContact CZ-NE1 3.51Å; L227-W257 HydrophobicContact CB-CH2 3.86Å; L227-W257 HydrophobicContact CB-CZ2 4.47Å; L227-W257 HydrophobicContact CB-CZ3 4.29Å; L227-W257 HydrophobicContact CD1-CH2 4.12Å; L227-W257 HydrophobicContact CD1-CZ3 4.18Å; A228-W257 HydrophobicContact CB-CZ2 3.82Å; F252-W257 HydrophobicContact CB-CB 3.91Å; F252-W257 HydrophobicContact CB-CD2 4.14Å; F252-W257 HydrophobicContact CB-CG 3.81Å; F252-W257 AromaticContact CD1-CD2 3.53Å; F252-W257 HydrophobicContact CD1-CD2 3.53Å; F252-W257 AromaticContact CD1-CE2 3.71Å; F252-W257 AromaticContact CD1-CE3 3.58Å; F252-W257 HydrophobicContact CD1-CE3 3.58Å; F252-W257 HydrophobicContact CD1-CG 4.11Å; F252-W257 HydrophobicContact CD1-CH2 4.08Å; F252-W257 AromaticContact CD1-CZ2 3.99Å; F252-W257 HydrophobicContact CD1-CZ2 3.99Å; F252-W257 AromaticContact CD1-CZ3 3.86Å; F252-W257 HydrophobicContact CD1-CZ3 3.86Å; F252-W257 HydrophobicContact CE1-CD2 4.4Å; F252-W257 HydrophobicContact CE1-CE3 4.13Å; F252-W257 HydrophobicContact CE1-CH2 4.03Å; F252-W257 HydrophobicContact CE1-CZ2 4.25Å; F252-W257 AromaticContact CE1-CZ3 3.94Å; F252-W257 HydrophobicContact CE1-CZ3 3.94Å; F252-W257 HydrophobicContact CG-CD2 4.28Å; F252-W257 HydrophobicContact CG-CE3 4.4Å; F252-W257 HydrophobicContact CG-CG 4.46Å; S253-W257 VanDerWaalsContact O-CD1 3.31Å; S253-W257 PolarHBondContact O-N 3.23Å; P255-W257 VanDerWaalsContact C-N 3.28Å; P255-W257 PolarHBondContact O-N 3.32Å; W257-D259 VanDerWaalsContact C-N 3.26Å; W257-D259 PolarHBondContact O-N 2.75Å; W257-R260 HydrophobicContact CD2-CG 4.49Å; W257-R260 HydrophobicContact CE3-CB 3.84Å; W257-R260 HydrophobicContact CE3-CG 3.81Å; W257-R260 HydrophobicContact CZ3-CB 4.28Å; W257-R260 HydrophobicContact CZ3-CG 4.24Å; W257-R260 PolarHBondContact O-N 2.89Å; W257-K265 HydrophobicContact CE3-CG 4.07Å; W257-K265 HydrophobicContact CZ3-CG 4.27Å; W257-K265 WeakPolarHBondContact O-CE 3.41Å; W257-K265 PolarHBondContact O-NZ 3.05Å; W257-I268 HydrophobicContact CH2-CD1 3.28Å; W257-I268 HydrophobicContact CZ2-CD1 4.35Å; W257-I268 HydrophobicContact CZ3-CD1 3.63Å |
| 258 | D | 85.1 | Confident | 92.3 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.6 | -175.4 | -76.7 | -8.8 | 0 | 0 | 0 | 113.9 | S254 P255 R309 | S254-D258 WeakPolarHBondContact CB-OD1 3.34Å; S254-D258 PolarHBondContact OG-OD1 3.12Å; P255-D258 PolarHBondContact O-N 3.33Å; D258-R309 PolarHBondContact O-NH1 3.37Å |
| 259 | D | 85.5 | Confident | 92.4 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -0.2 | -176.6 | -58.9 | -32 | 0 | 0 | 0 | 112.7 | W257 R309 R344 | W257-D259 VanDerWaalsContact C-N 3.26Å; W257-D259 PolarHBondContact O-N 2.75Å; D259-R309 IonicContact OD1-CZ 3.47Å; D259-R309 IonicContact OD1-NH1 2.7Å; D259-R309 IonicContact OD1-NH2 2.67Å; D259-R309 PolarHBondContact OD1-NH2 2.74Å; D259-R344 IonicContact OD2-CZ 3.99Å; D259-R344 IonicContact OD2-NH1 2.79Å; D259-R344 PolarHBondContact OD2-NH1 3.02Å |
| 260 | R | 90.8 | Very high | 92.6 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -85.5 | 138.6 | 179.7 | -57.8 | -59.8 | -175.9 | 172 | 3.2 | 110.7 | L125 E127 L227 W257 V264 | L125-R260 VanDerWaalsContact O-CZ 3.3Å; L125-R260 PolarHBondContact O-NH1 3.27Å; L125-R260 PolarHBondContact O-NH2 3.15Å; E127-R260 VanDerWaalsContact OE1-CA 3.26Å; E127-R260 WeakPolarHBondContact OE1-CA 3.41Å; L227-R260 PolarHBondContact O-NH2 3.49Å; W257-R260 HydrophobicContact CD2-CG 4.49Å; W257-R260 HydrophobicContact CE3-CB 3.84Å; W257-R260 HydrophobicContact CE3-CG 3.81Å; W257-R260 HydrophobicContact CZ3-CB 4.28Å; W257-R260 HydrophobicContact CZ3-CG 4.24Å; W257-R260 PolarHBondContact O-N 2.89Å; R260-V264 HydrophobicContact CB-CG1 4.24Å |
| 261 | S | 93.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | trans | -59.6 | 149.7 | -178.2 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | E127 T263 V264 K265 | E127-S261 PolarHBondContact OE1-N 3.1Å; E127-S261 PolarHBondContact OE1-OG 2.89Å; E127-S261 WeakPolarHBondContact OE2-CB 3.36Å; E127-S261 PolarHBondContact OE2-OG 3.46Å; S261-T263 PolarHBondContact O-N 3.45Å; S261-V264 WeakPolarHBondContact O-CG1 3.47Å; S261-V264 PolarHBondContact O-N 3.19Å; S261-V264 PolarHBondContact OG-N 3.22Å; S261-K265 WeakPolarHBondContact O-CG 3.31Å; S261-K265 PolarHBondContact O-N 3.39Å | ||
| 262 | S | 94.1 | Very high | 92.9 | Very high | 85 Ų | 85 | 42.7 Ų | 42.7 | 59% | 0.594 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.3 | -31 | 170.6 | 49 | 0 | 0 | 0 | 0 | 111.3 | V264 K265 D266 | S262-V264 PolarHBondContact O-N 2.93Å; S262-K265 PolarHBondContact O-N 3.39Å; S262-D266 WeakPolarHBondContact O-CB 3.31Å; S262-D266 PolarHBondContact O-N 3.19Å |
| 263 | T | 96.4 | Very high | 93.1 | Very high | 52 Ų | 52 | 43.5 Ų | 43.5 | 32% | 0.319 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60 | -43.1 | 178.8 | -45.9 | 0 | 0 | 0 | 0 | 112.5 | S261 L267 H288 P289 F290 | S261-T263 PolarHBondContact O-N 3.45Å; T263-L267 PolarHBondContact O-N 3Å; T263-L267 VanDerWaalsContact O-N 3.17Å; T263-H288 PolarHBondContact O-CE1 3.28Å; T263-P289 HydrophobicContact CG2-CB 4.15Å; T263-F290 HydrophobicContact CG2-CB 4.14Å |
| 264 | V | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.5 | -31.8 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 112.4 | E127 L223 L227 R260 S261 S262 D266 L267 I268 F290 | E127-V264 HydrophobicContact CG-CG1 4.42Å; L223-V264 HydrophobicContact CD1-CG2 3.93Å; L223-V264 HydrophobicContact CD2-CG2 4.44Å; L223-V264 HydrophobicContact CG-CG2 4.48Å; L227-V264 HydrophobicContact CD1-CB 4.37Å; L227-V264 HydrophobicContact CD1-CG1 4.04Å; L227-V264 HydrophobicContact CD1-CG2 3.41Å; L227-V264 VanDerWaalsContact CD1-CG2 3.41Å; R260-V264 HydrophobicContact CB-CG1 4.24Å; S261-V264 WeakPolarHBondContact O-CG1 3.47Å; S261-V264 PolarHBondContact O-N 3.19Å; S261-V264 PolarHBondContact OG-N 3.22Å; S262-V264 PolarHBondContact O-N 2.93Å; V264-D266 VanDerWaalsContact C-N 3.33Å; V264-L267 PolarHBondContact O-N 2.95Å; V264-I268 VanDerWaalsContact O-CG1 3.31Å; V264-I268 WeakPolarHBondContact O-CG1 3.22Å; V264-I268 PolarHBondContact O-N 3.26Å; V264-F290 HydrophobicContact CB-CD2 3.76Å; V264-F290 HydrophobicContact CB-CE2 3.66Å; V264-F290 HydrophobicContact CB-CZ 4.44Å; V264-F290 HydrophobicContact CG2-CD2 3.85Å; V264-F290 HydrophobicContact CG2-CE1 4.37Å; V264-F290 HydrophobicContact CG2-CE2 3.48Å; V264-F290 VanDerWaalsContact CG2-CE2 3.48Å; V264-F290 HydrophobicContact CG2-CG 4.45Å; V264-F290 HydrophobicContact CG2-CZ 3.76Å |
| 265 | K | 98.2 | Very high | 94.6 | Very high | 51 Ų | 51 | 43 Ų | 43 | 22% | 0.222 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 172.7 | -66.5 | 176.8 | -175 | -179.2 | 0 | 111.2 | F252 W257 S261 S262 I268 S269 | F252-K265 HydrophobicContact CB-CD 4.5Å; F252-K265 HydrophobicContact CD1-CG 4.17Å; F252-K265 HydrophobicContact CD2-CB 4.37Å; F252-K265 HydrophobicContact CD2-CD 4.25Å; F252-K265 HydrophobicContact CD2-CG 4.29Å; F252-K265 HydrophobicContact CE1-CB 4.34Å; F252-K265 HydrophobicContact CE1-CG 4.13Å; F252-K265 HydrophobicContact CE2-CB 3.92Å; F252-K265 HydrophobicContact CE2-CG 4.26Å; F252-K265 HydrophobicContact CG-CD 4.21Å; F252-K265 HydrophobicContact CG-CG 4.24Å; F252-K265 HydrophobicContact CZ-CB 3.89Å; F252-K265 HydrophobicContact CZ-CG 4.16Å; W257-K265 HydrophobicContact CE3-CG 4.07Å; W257-K265 HydrophobicContact CZ3-CG 4.27Å; W257-K265 WeakPolarHBondContact O-CE 3.41Å; W257-K265 PolarHBondContact O-NZ 3.05Å; S261-K265 WeakPolarHBondContact O-CG 3.31Å; S261-K265 PolarHBondContact O-N 3.39Å; S262-K265 PolarHBondContact O-N 3.39Å; K265-I268 PolarHBondContact O-N 2.69Å; K265-S269 PolarHBondContact O-N 3.21Å; K265-S269 PolarHBondContact O-OG 2.89Å |
| 266 | D | 98.5 | Very high | 95.2 | Very high | 68 Ų | 68 | 41.8 Ų | 41.8 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 174.6 | -174.8 | 60.3 | 0 | 0 | 0 | 111.8 | S262 V264 I268 S269 K270 H288 | S262-D266 WeakPolarHBondContact O-CB 3.31Å; S262-D266 PolarHBondContact O-N 3.19Å; V264-D266 VanDerWaalsContact C-N 3.33Å; D266-I268 PolarHBondContact O-N 3.44Å; D266-S269 PolarHBondContact O-N 2.99Å; D266-K270 WeakPolarHBondContact O-CG 3.45Å; D266-K270 PolarHBondContact O-N 3.49Å; D266-K270 WeakPolarHBondContact OD1-CE 3.47Å; D266-K270 IonicContact OD1-NZ 3.82Å; D266-K270 WeakPolarHBondContact OD2-CE 3.45Å; D266-K270 IonicContact OD2-NZ 3.8Å; D266-K270 PolarHBondContact OD2-NZ 3.32Å; D266-H288 IonicContact OD2-CE1 3.82Å; D266-H288 IonicContact OD2-NE2 2.76Å; D266-H288 PolarHBondContact OD2-NE2 3.45Å |
| 267 | L | 98.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.3 | -179.9 | 58 | 0 | 0 | 0 | 112 | L223 T263 V264 S269 K270 L271 L280 A285 H288 F290 F291 | L223-L267 HydrophobicContact CD2-CB 4.28Å; L223-L267 HydrophobicContact CD2-CD2 3.7Å; L223-L267 HydrophobicContact CD2-CG 3.73Å; T263-L267 PolarHBondContact O-N 3Å; T263-L267 VanDerWaalsContact O-N 3.17Å; V264-L267 PolarHBondContact O-N 2.95Å; L267-S269 VanDerWaalsContact C-N 3.31Å; L267-S269 PolarHBondContact O-N 2.89Å; L267-K270 PolarHBondContact O-N 3.15Å; L267-L271 HydrophobicContact CD1-CD1 4.06Å; L267-L271 HydrophobicContact CD1-CG 4.22Å; L267-L271 HydrophobicContact CG-CD1 4.06Å; L267-L271 WeakPolarHBondContact O-CG 3.45Å; L267-L271 PolarHBondContact O-N 3.07Å; L267-L280 HydrophobicContact CD1-CD1 4.09Å; L267-A285 HydrophobicContact CD1-CB 4.39Å; L267-H288 HydrophobicContact CD1-CB 3.98Å; L267-F290 HydrophobicContact CD2-CB 3.89Å; L267-F290 HydrophobicContact CD2-CD1 3.52Å; L267-F290 HydrophobicContact CD2-CE1 4.33Å; L267-F290 HydrophobicContact CD2-CG 3.94Å; L267-F291 HydrophobicContact CD2-CD2 4.48Å; L267-F291 HydrophobicContact CD2-CE2 3.61Å; L267-F291 HydrophobicContact CD2-CZ 3.93Å |
| 268 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 176.5 | -70.4 | 167 | 0 | 0 | 0 | 110.5 | L223 F224 L227 Y250 F252 W257 V264 K265 D266 K270 L271 L272 | L223-I268 HydrophobicContact CB-CG1 4.35Å; L223-I268 HydrophobicContact CD2-CD1 4.4Å; L223-I268 HydrophobicContact CD2-CG1 3.45Å; L223-I268 VanDerWaalsContact CD2-CG1 3.45Å; L223-I268 HydrophobicContact CG-CD1 4.08Å; L223-I268 HydrophobicContact CG-CG1 3.55Å; F224-I268 HydrophobicContact CB-CD1 4.38Å; F224-I268 HydrophobicContact CB-CG2 4.45Å; F224-I268 HydrophobicContact CD2-CD1 4.47Å; F224-I268 HydrophobicContact CD2-CG2 4.13Å; L227-I268 HydrophobicContact CD1-CD1 4.21Å; Y250-I268 HydrophobicContact CE2-CG2 4.2Å; F252-I268 HydrophobicContact CE1-CB 4.23Å; F252-I268 HydrophobicContact CE1-CD1 3.98Å; F252-I268 HydrophobicContact CE1-CG2 3.9Å; F252-I268 HydrophobicContact CZ-CB 4.05Å; F252-I268 HydrophobicContact CZ-CG2 3.84Å; W257-I268 HydrophobicContact CH2-CD1 3.28Å; W257-I268 HydrophobicContact CZ2-CD1 4.35Å; W257-I268 HydrophobicContact CZ3-CD1 3.63Å; V264-I268 VanDerWaalsContact O-CG1 3.31Å; V264-I268 WeakPolarHBondContact O-CG1 3.22Å; V264-I268 PolarHBondContact O-N 3.26Å; K265-I268 PolarHBondContact O-N 2.69Å; D266-I268 PolarHBondContact O-N 3.44Å; I268-K270 VanDerWaalsContact C-N 3.28Å; I268-K270 PolarHBondContact O-N 3.34Å; I268-L271 PolarHBondContact O-N 3.18Å; I268-L272 HydrophobicContact CG2-CD1 3.69Å; I268-L272 HydrophobicContact CG2-CG 4.18Å; I268-L272 WeakPolarHBondContact O-CB 3.48Å; I268-L272 PolarHBondContact O-N 2.82Å |
| 269 | S | 98.6 | Very high | 96.7 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -32.2 | -178 | -65.8 | 0 | 0 | 0 | 0 | 113.6 | Y250 K265 D266 L267 | Y250-S269 VanDerWaalsContact OH-CA 3.23Å; Y250-S269 WeakPolarHBondContact OH-CA 3.46Å; Y250-S269 WeakPolarHBondContact OH-CB 3.38Å; Y250-S269 PolarHBondContact OH-OG 3.35Å; K265-S269 PolarHBondContact O-N 3.21Å; K265-S269 PolarHBondContact O-OG 2.89Å; D266-S269 PolarHBondContact O-N 2.99Å; L267-S269 VanDerWaalsContact C-N 3.31Å; L267-S269 PolarHBondContact O-N 2.89Å |
| 270 | K | 98.7 | Very high | 97.3 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -79.3 | -21.4 | 175.7 | -67.2 | 175.2 | 176.6 | 160.9 | 0 | 114.1 | D266 L267 I268 L280 | D266-K270 WeakPolarHBondContact O-CG 3.45Å; D266-K270 PolarHBondContact O-N 3.49Å; D266-K270 WeakPolarHBondContact OD1-CE 3.47Å; D266-K270 IonicContact OD1-NZ 3.82Å; D266-K270 WeakPolarHBondContact OD2-CE 3.45Å; D266-K270 IonicContact OD2-NZ 3.8Å; D266-K270 PolarHBondContact OD2-NZ 3.32Å; L267-K270 PolarHBondContact O-N 3.15Å; I268-K270 VanDerWaalsContact C-N 3.28Å; I268-K270 PolarHBondContact O-N 3.34Å; K270-L280 HydrophobicContact CB-CD1 3.45Å; K270-L280 VanDerWaalsContact CB-CD1 3.45Å; K270-L280 HydrophobicContact CB-CG 3.73Å; K270-L280 HydrophobicContact CD-CD1 3.98Å; K270-L280 HydrophobicContact CD-CG 4.49Å; K270-L280 HydrophobicContact CG-CD1 4.36Å; K270-L280 PolarHBondContact O-N 3.19Å |
| 271 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -85.8 | -38.2 | 171.7 | -70.4 | 172 | 0 | 0 | 0 | 112.1 | L216 L223 L267 I268 Q273 R279 L280 A285 | L216-L271 HydrophobicContact CB-CD2 4.21Å; L216-L271 HydrophobicContact CD1-CD2 4.06Å; L223-L271 HydrophobicContact CD2-CD1 4.08Å; L267-L271 HydrophobicContact CD1-CD1 4.06Å; L267-L271 HydrophobicContact CD1-CG 4.22Å; L267-L271 HydrophobicContact CG-CD1 4.06Å; L267-L271 WeakPolarHBondContact O-CG 3.45Å; L267-L271 PolarHBondContact O-N 3.07Å; I268-L271 PolarHBondContact O-N 3.18Å; L271-Q273 PolarHBondContact O-N 3.33Å; L271-R279 VanDerWaalsContact O-CD 3.24Å; L271-R279 WeakPolarHBondContact O-CD 3.4Å; L271-R279 WeakPolarHBondContact O-CG 3.42Å; L271-R279 PolarHBondContact O-NE 2.94Å; L271-L280 HydrophobicContact CD2-CB 4.34Å; L271-A285 HydrophobicContact CD2-CB 4.22Å |
| 272 | L | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -88.3 | 41.2 | 175.7 | -61.9 | -176.6 | 0 | 0 | 0 | 111.8 | W217 V221 P232 F233 Y250 I268 | W217-L272 HydrophobicContact CD2-CD2 3.94Å; W217-L272 HydrophobicContact CE3-CD2 4.12Å; W217-L272 HydrophobicContact CG-CD2 4.41Å; W217-L272 HydrophobicContact CZ2-CD2 4.39Å; W217-L272 HydrophobicContact CZ3-CB 4.27Å; W217-L272 HydrophobicContact CZ3-CD2 4.43Å; V221-L272 HydrophobicContact CG2-CD2 3.78Å; P232-L272 HydrophobicContact CB-CD1 4.31Å; P232-L272 HydrophobicContact CG-CD1 4.26Å; F233-L272 HydrophobicContact CE2-CD1 4.47Å; F233-L272 HydrophobicContact CE2-CD2 4.32Å; F233-L272 HydrophobicContact CZ-CD1 4.41Å; Y250-L272 HydrophobicContact CD1-CB 4.4Å; Y250-L272 HydrophobicContact CD1-CD1 4.07Å; Y250-L272 HydrophobicContact CD2-CD1 4.34Å; Y250-L272 HydrophobicContact CE1-CB 3.74Å; Y250-L272 HydrophobicContact CE1-CD1 4.02Å; Y250-L272 HydrophobicContact CE2-CD1 4.29Å; Y250-L272 HydrophobicContact CG-CD1 4.25Å; I268-L272 HydrophobicContact CG2-CD1 3.69Å; I268-L272 HydrophobicContact CG2-CG 4.18Å; I268-L272 WeakPolarHBondContact O-CB 3.48Å; I268-L272 PolarHBondContact O-N 2.82Å |
| 273 | Q | 98.5 | Very high | 98.1 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | trans | -85.6 | 126.2 | 173.8 | -176.3 | 60 | 19.8 | 0 | 0 | 109.1 | L271 D275 E278 R279 | L271-Q273 PolarHBondContact O-N 3.33Å; Q273-D275 WeakPolarHBondContact CG-O 3.25Å; Q273-E278 HydrophobicContact CG-CB 3.63Å; Q273-R279 HydrophobicContact CB-CB 4.14Å; Q273-R279 HydrophobicContact CB-CG 4.36Å; Q273-R279 PolarHBondContact O-NE 3.35Å; Q273-R279 PolarHBondContact O-NH2 3.22Å | ||
| 274 | V | 98.1 | Very high | 98.2 | Very high | 37 Ų | 37 | 52 Ų | 52 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -67.2 | -38.5 | -175.2 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | P196 W217 P276 | P196-V274 HydrophobicContact CB-CG1 4.02Å; P196-V274 HydrophobicContact CG-CB 4.48Å; P196-V274 HydrophobicContact CG-CG1 4.18Å; P196-V274 HydrophobicContact CG-CG2 4.38Å; W217-V274 HydrophobicContact CZ3-CG2 4.45Å; V274-P276 WeakPolarHBondContact O-CD 3.39Å |
| 275 | D | 97.7 | Very high | 98.3 | Very high | 71 Ų | 71 | 52 Ų | 52 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -76 | 117 | 172.6 | -171 | -17 | 0 | 0 | 0 | 109.4 | Q273 E277 E278 R279 | Q273-D275 WeakPolarHBondContact CG-O 3.25Å; D275-E277 PolarHBondContact O-N 2.97Å; D275-E277 PolarHBondContact OD1-N 3.4Å; D275-E278 HydrophobicContact CB-CB 4.2Å; D275-E278 HydrophobicContact CB-CG 4.21Å; D275-E278 PolarHBondContact O-N 3.03Å; D275-R279 PolarHBondContact O-N 3.1Å |
| 276 | P | 97.5 | Very high | 98.3 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 24% | 0.24 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.4 | 179.9 | 26.4 | -34.1 | 0 | 0 | 0 | 113.2 | E213 V274 R279 | E213-P276 HydrophobicContact CB-CB 3.88Å; E213-P276 HydrophobicContact CG-CB 4.1Å; V274-P276 WeakPolarHBondContact O-CD 3.39Å; P276-R279 WeakPolarHBondContact O-CB 3.43Å; P276-R279 PolarHBondContact O-N 3.28Å |
| 277 | E | 96.6 | Very high | 98.2 | Very high | 174 Ų | 174 | 54.4 Ų | 54.4 | 81% | 0.813 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -30.5 | 179.2 | -63.6 | -170.1 | 176.7 | 0 | 0 | 112.5 | D275 R279 | D275-E277 PolarHBondContact O-N 2.97Å; D275-E277 PolarHBondContact OD1-N 3.4Å; E277-R279 VanDerWaalsContact C-N 3.34Å |
| 278 | E | 97.8 | Very high | 98.2 | Very high | 136 Ų | 136 | 54.8 Ų | 54.8 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8 | 176.1 | -64.7 | -66.6 | 140.1 | 0 | 0 | 112.5 | Q273 D275 | Q273-E278 HydrophobicContact CG-CB 3.63Å; D275-E278 HydrophobicContact CB-CB 4.2Å; D275-E278 HydrophobicContact CB-CG 4.21Å; D275-E278 PolarHBondContact O-N 3.03Å |
| 279 | R | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -76.8 | 137.4 | 179.5 | -166.1 | -179.3 | -60 | 148.8 | 6.7 | 109.9 | E197 E213 L216 L271 Q273 D275 P276 E277 T281 | E197-R279 IonicContact OE1-CZ 3.7Å; E197-R279 IonicContact OE1-NH1 3.67Å; E197-R279 PolarHBondContact OE1-NH1 2.9Å; E197-R279 IonicContact OE1-NH2 3.37Å; E197-R279 PolarHBondContact OE1-NH2 2.99Å; E197-R279 IonicContact OE2-CZ 3.36Å; E197-R279 IonicContact OE2-NH1 2.71Å; E197-R279 IonicContact OE2-NH2 2.97Å; E197-R279 PolarHBondContact OE2-NH2 3.22Å; E213-R279 PolarHBondContact O-NH1 2.96Å; L216-R279 HydrophobicContact CB-CG 4.44Å; L271-R279 VanDerWaalsContact O-CD 3.24Å; L271-R279 WeakPolarHBondContact O-CD 3.4Å; L271-R279 WeakPolarHBondContact O-CG 3.42Å; L271-R279 PolarHBondContact O-NE 2.94Å; Q273-R279 HydrophobicContact CB-CB 4.14Å; Q273-R279 HydrophobicContact CB-CG 4.36Å; Q273-R279 PolarHBondContact O-NE 3.35Å; Q273-R279 PolarHBondContact O-NH2 3.22Å; D275-R279 PolarHBondContact O-N 3.1Å; P276-R279 WeakPolarHBondContact O-CB 3.43Å; P276-R279 PolarHBondContact O-N 3.28Å; E277-R279 VanDerWaalsContact C-N 3.34Å; R279-T281 PolarHBondContact O-N 3.41Å |
| 280 | L | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 140.2 | 177.8 | -65.8 | 174.3 | 0 | 0 | 0 | 111.5 | L216 L267 K270 L271 Q284 A285 | L216-L280 VanDerWaalsContact CG-O 3.29Å; L216-L280 WeakPolarHBondContact CG-O 3.46Å; L267-L280 HydrophobicContact CD1-CD1 4.09Å; K270-L280 HydrophobicContact CB-CD1 3.45Å; K270-L280 VanDerWaalsContact CB-CD1 3.45Å; K270-L280 HydrophobicContact CB-CG 3.73Å; K270-L280 HydrophobicContact CD-CD1 3.98Å; K270-L280 HydrophobicContact CD-CG 4.49Å; K270-L280 HydrophobicContact CG-CD1 4.36Å; K270-L280 PolarHBondContact O-N 3.19Å; L271-L280 HydrophobicContact CD2-CB 4.34Å; L280-Q284 HydrophobicContact CB-CB 4.33Å; L280-Q284 HydrophobicContact CD2-CB 3.9Å; L280-A285 HydrophobicContact CB-CB 4.35Å; L280-A285 HydrophobicContact CD1-CB 4.42Å |
| 281 | T | 98.7 | Very high | 97.9 | Very high | 66 Ų | 66 | 53 Ų | 53 | 41% | 0.405 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 165.3 | 163.2 | 73 | 0 | 0 | 0 | 0 | 110.9 | R279 E283 Q284 A285 | R279-T281 PolarHBondContact O-N 3.41Å; T281-E283 VanDerWaalsContact C-N 3.31Å; T281-E283 PolarHBondContact O-N 3.4Å; T281-Q284 PolarHBondContact O-N 3.48Å; T281-Q284 VanDerWaalsContact OG1-CG 3.29Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.36Å; T281-Q284 PolarHBondContact OG1-N 3.4Å; T281-A285 VanDerWaalsContact O-CB 3.31Å; T281-A285 WeakPolarHBondContact O-CB 3.41Å; T281-A285 PolarHBondContact O-N 3.22Å |
| 282 | A | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V141 N142 L216 A285 L286 | V141-A282 HydrophobicContact CG1-CB 4.15Å; N142-A282 HydrophobicContact CB-CB 3.69Å; L216-A282 HydrophobicContact CD1-CB 4.02Å; A282-A285 PolarHBondContact O-N 3.49Å; A282-L286 WeakPolarHBondContact O-CG 3.34Å; A282-L286 PolarHBondContact O-N 3.42Å |
| 283 | E | 98 | Very high | 95.7 | Very high | 114 Ų | 114 | 68.5 Ų | 68.5 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 175 | -174.6 | 177.7 | -171.8 | 0 | 0 | 112.1 | N142 T281 A285 L286 Q287 | N142-E283 PolarHBondContact OD1-N 2.9Å; T281-E283 VanDerWaalsContact C-N 3.31Å; T281-E283 PolarHBondContact O-N 3.4Å; E283-A285 VanDerWaalsContact C-N 3.33Å; E283-A285 PolarHBondContact O-N 2.96Å; E283-L286 PolarHBondContact O-N 3.28Å; E283-Q287 WeakPolarHBondContact O-CG 3.38Å; E283-Q287 PolarHBondContact O-N 2.72Å |
| 284 | Q | 98.4 | Very high | 93.6 | Very high | 95 Ų | 95 | 71.2 Ų | 71.2 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 177.7 | -67.7 | 168.7 | -17.4 | 0 | 0 | 111.7 | L280 T281 Q287 H288 | L280-Q284 HydrophobicContact CB-CB 4.33Å; L280-Q284 HydrophobicContact CD2-CB 3.9Å; T281-Q284 PolarHBondContact O-N 3.48Å; T281-Q284 VanDerWaalsContact OG1-CG 3.29Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.36Å; T281-Q284 PolarHBondContact OG1-N 3.4Å; Q284-Q287 PolarHBondContact O-N 3.5Å; Q284-H288 PolarHBondContact O-N 2.66Å |
| 285 | A | 98.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L138 L267 L271 L280 T281 A282 E283 Q287 H288 F291 | L138-A285 HydrophobicContact CD1-CB 3.84Å; L138-A285 HydrophobicContact CD2-CB 4.12Å; L267-A285 HydrophobicContact CD1-CB 4.39Å; L271-A285 HydrophobicContact CD2-CB 4.22Å; L280-A285 HydrophobicContact CB-CB 4.35Å; L280-A285 HydrophobicContact CD1-CB 4.42Å; T281-A285 VanDerWaalsContact O-CB 3.31Å; T281-A285 WeakPolarHBondContact O-CB 3.41Å; T281-A285 PolarHBondContact O-N 3.22Å; A282-A285 PolarHBondContact O-N 3.49Å; E283-A285 VanDerWaalsContact C-N 3.33Å; E283-A285 PolarHBondContact O-N 2.96Å; A285-Q287 VanDerWaalsContact C-N 3.26Å; A285-Q287 PolarHBondContact O-N 3.07Å; A285-H288 WeakPolarHBondContact O-CB 3.49Å; A285-H288 PolarHBondContact O-N 2.87Å; A285-H288 VanDerWaalsContact O-N 3.08Å; A285-F291 WeakPolarHBondContact O-CD2 3.43Å; A285-F291 WeakPolarHBondContact O-CE2 3.46Å |
| 286 | L | 98 | Very high | 88.3 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.6 | -29.2 | 175.8 | -76.3 | 166.9 | 0 | 0 | 0 | 113.1 | R135 L138 E139 N142 A282 E283 H288 | R135-L286 HydrophobicContact CG-CD2 4.02Å; L138-L286 HydrophobicContact CB-CD1 4.39Å; L138-L286 HydrophobicContact CB-CD2 3.73Å; L138-L286 HydrophobicContact CB-CG 3.84Å; E139-L286 HydrophobicContact CG-CD1 4.07Å; E139-L286 HydrophobicContact CG-CD2 3.94Å; N142-L286 HydrophobicContact CB-CD1 4.3Å; A282-L286 WeakPolarHBondContact O-CG 3.34Å; A282-L286 PolarHBondContact O-N 3.42Å; E283-L286 PolarHBondContact O-N 3.28Å; L286-H288 VanDerWaalsContact C-N 3.26Å |
| 287 | Q | 97.5 | Very high | 85.9 | Confident | 129 Ų | 129 | 81 Ų | 81 | 60% | 0.603 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -4.2 | 174.9 | -65.1 | 172.3 | 10 | 0 | 0 | 113.2 | E283 Q284 A285 | E283-Q287 WeakPolarHBondContact O-CG 3.38Å; E283-Q287 PolarHBondContact O-N 2.72Å; Q284-Q287 PolarHBondContact O-N 3.5Å; A285-Q287 VanDerWaalsContact C-N 3.26Å; A285-Q287 PolarHBondContact O-N 3.07Å |
| 288 | H | 98.1 | Very high | 83.5 | Confident | 9 Ų | 9 | 81.3 Ų | 81.3 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -64.5 | 144 | -178.8 | -168.1 | -92.1 | 0 | 0 | 0 | 111.9 | T263 D266 L267 Q284 A285 L286 F290 F291 | T263-H288 PolarHBondContact O-CE1 3.28Å; D266-H288 IonicContact OD2-CE1 3.82Å; D266-H288 IonicContact OD2-NE2 2.76Å; D266-H288 PolarHBondContact OD2-NE2 3.45Å; L267-H288 HydrophobicContact CD1-CB 3.98Å; Q284-H288 PolarHBondContact O-N 2.66Å; A285-H288 WeakPolarHBondContact O-CB 3.49Å; A285-H288 PolarHBondContact O-N 2.87Å; A285-H288 VanDerWaalsContact O-N 3.08Å; L286-H288 VanDerWaalsContact C-N 3.26Å; H288-F290 WeakPolarHBondContact ND1-CB 2.93Å; H288-F290 PolarHBondContact ND1-N 3.41Å; H288-F290 VanDerWaalsContact ND1-N 3.15Å; H288-F290 PolarHBondContact O-N 2.88Å; H288-F291 HydrophobicContact CB-CD2 4.33Å; H288-F291 PolarHBondContact O-N 3.22Å |
| 289 | P | 96.8 | Very high | 81.1 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -15.8 | 179 | -28.4 | 35.4 | 0 | 0 | 0 | 115.4 | T263 F291 E292 | T263-P289 HydrophobicContact CG2-CB 4.15Å; P289-F291 PolarHBondContact O-N 3.36Å; P289-E292 PolarHBondContact O-N 2.99Å |
| 290 | F | 96.8 | Very high | 79.1 | Confident | 3 Ų | 3 | 88.5 Ų | 88.5 | 1% | 0.013 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -31.3 | 171.8 | -179.3 | -110.4 | 0 | 0 | 0 | 112.1 | E127 R131 L223 T263 V264 L267 H288 | E127-F290 HydrophobicContact CB-CE2 4.47Å; R131-F290 HydrophobicContact CB-CE1 3.76Å; R131-F290 HydrophobicContact CB-CE2 4.49Å; R131-F290 HydrophobicContact CB-CZ 3.7Å; R131-F290 VanDerWaalsContact CD-O 3.27Å; R131-F290 WeakPolarHBondContact CD-O 3.3Å; R131-F290 HydrophobicContact CG-CD1 4.35Å; R131-F290 HydrophobicContact CG-CE1 4Å; R131-F290 HydrophobicContact CG-CZ 4.28Å; R131-F290 PolarHBondContact NE-O 3.41Å; L223-F290 HydrophobicContact CD1-CE1 4.47Å; T263-F290 HydrophobicContact CG2-CB 4.14Å; V264-F290 HydrophobicContact CB-CD2 3.76Å; V264-F290 HydrophobicContact CB-CE2 3.66Å; V264-F290 HydrophobicContact CB-CZ 4.44Å; V264-F290 HydrophobicContact CG2-CD2 3.85Å; V264-F290 HydrophobicContact CG2-CE1 4.37Å; V264-F290 HydrophobicContact CG2-CE2 3.48Å; V264-F290 VanDerWaalsContact CG2-CE2 3.48Å; V264-F290 HydrophobicContact CG2-CG 4.45Å; V264-F290 HydrophobicContact CG2-CZ 3.76Å; L267-F290 HydrophobicContact CD2-CB 3.89Å; L267-F290 HydrophobicContact CD2-CD1 3.52Å; L267-F290 HydrophobicContact CD2-CE1 4.33Å; L267-F290 HydrophobicContact CD2-CG 3.94Å; H288-F290 WeakPolarHBondContact ND1-CB 2.93Å; H288-F290 PolarHBondContact ND1-N 3.41Å; H288-F290 VanDerWaalsContact ND1-N 3.15Å; H288-F290 PolarHBondContact O-N 2.88Å |
| 291 | F | 95.7 | Very high | 77.1 | Confident | 10 Ų | 10 | 94.2 Ų | 94.2 | 4% | 0.044 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.8 | -179.4 | -60.9 | -70.3 | 0 | 0 | 0 | 114.1 | R131 M134 R135 L138 L267 A285 H288 P289 R293 | R131-F291 HydrophobicContact CG-CD1 3.86Å; R131-F291 HydrophobicContact CG-CE1 4.29Å; M134-F291 HydrophobicContact CB-CE1 3.99Å; M134-F291 HydrophobicContact CB-CZ 3.97Å; R135-F291 HydrophobicContact CB-CD1 3.85Å; R135-F291 HydrophobicContact CB-CE1 3.91Å; R135-F291 HydrophobicContact CG-CD1 4.47Å; R135-F291 PolarHBondContact NH2-O 2.95Å; L138-F291 HydrophobicContact CD1-CE2 3.54Å; L138-F291 HydrophobicContact CD1-CZ 3.47Å; L138-F291 VanDerWaalsContact CD1-CZ 3.47Å; L267-F291 HydrophobicContact CD2-CD2 4.48Å; L267-F291 HydrophobicContact CD2-CE2 3.61Å; L267-F291 HydrophobicContact CD2-CZ 3.93Å; A285-F291 WeakPolarHBondContact O-CD2 3.43Å; A285-F291 WeakPolarHBondContact O-CE2 3.46Å; H288-F291 HydrophobicContact CB-CD2 4.33Å; H288-F291 PolarHBondContact O-N 3.22Å; P289-F291 PolarHBondContact O-N 3.36Å; F291-R293 PolarHBondContact O-N 3.5Å |
| 292 | E | 88.3 | Confident | 75.8 | Confident | 123 Ų | 123 | 92.9 Ų | 92.9 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -60.6 | 136.2 | 172 | -73 | 174.2 | -171 | 0 | 0 | 110.3 | P289 C294 | P289-E292 PolarHBondContact O-N 2.99Å; E292-C294 PolarHBondContact O-N 2.86Å |
| 293 | R | 63.3 | Low | 74.8 | Confident | 207 Ų | 207 | 96 Ų | 96 | 78% | 0.781 | 50% | 0.502 | S | S | * | . | trans | -67.3 | 127.9 | 168.9 | -76.4 | -179.4 | 175.2 | 169.1 | 0.5 | 106.8 | F291 E295 | F291-R293 PolarHBondContact O-N 3.5Å; R293-E295 HydrophobicContact CB-CG 4.31Å; R293-E295 PolarHBondContact O-N 3.04Å | ||
| 294 | C | 53.2 | Low | 73.8 | Confident | 133 Ų | 133 | 96 Ų | 96 | 90% | 0.899 | 51% | 0.511 | S | S | * | . | trans | -66.3 | 75.6 | 165.7 | -72.7 | 0 | 0 | 0 | 0 | 109.4 | E292 G296 | E292-C294 PolarHBondContact O-N 2.86Å; C294-G296 PolarHBondContact O-N 3.38Å | ||
| 295 | E | 41 | Very low | 72.4 | Confident | 168 Ų | 168 | 100.9 Ų | 100.9 | 79% | 0.785 | 53% | 0.525 | S | S | * | . | trans | -77 | 98.8 | 162.7 | -71.9 | -170.9 | 179.1 | 0 | 0 | 107.4 | R293 | R293-E295 HydrophobicContact CB-CG 4.31Å; R293-E295 PolarHBondContact O-N 3.04Å | ||
| 296 | G | 44.1 | Very low | 71.2 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 60% | 0.598 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 84.1 | 117.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C294 Q298 | C294-G296 PolarHBondContact O-N 3.38Å; G296-Q298 PolarHBondContact O-N 3.3Å |
| 297 | S | 47.9 | Very low | 70.3 | Confident | 124 Ų | 124 | 108.2 Ų | 108.2 | 87% | 0.867 | 56% | 0.557 | S | S | * | * | trans | -14 | 90.3 | 152 | 167.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 298 | Q | 46.7 | Very low | 69.4 | Low | 180 Ų | 180 | 109 Ų | 109 | 84% | 0.841 | 56% | 0.559 | S | S | * | * | trans | -83.4 | 138 | 154.2 | -75.3 | -169 | -0.8 | 0 | 0 | 108.8 | G296 W300 | G296-Q298 PolarHBondContact O-N 3.3Å; Q298-W300 PolarHBondContact O-N 3.46Å | ||
| 299 | S | 46.7 | Very low | 68.5 | Low | 91 Ų | 91 | 112.2 Ų | 112.2 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | trans | -51.2 | 126.4 | -179.7 | 53.5 | 0 | 0 | 0 | 0 | 111 | N301 | S299-N301 PolarHBondContact O-N 3.29Š| ||
| 300 | W | 56.5 | Low | 67.8 | Low | 205 Ų | 205 | 111.8 Ų | 111.8 | 78% | 0.777 | 57% | 0.566 | S | S | * | * | trans | -50.4 | 92.4 | 177.3 | -64.4 | 81.1 | 0 | 0 | 0 | 112.4 | Q298 L302 | Q298-W300 PolarHBondContact O-N 3.46Å; W300-L302 HydrophobicContact CB-CD1 4.1Å; W300-L302 HydrophobicContact CB-CG 4.1Å; W300-L302 HydrophobicContact CE3-CD1 4.4Å; W300-L302 HydrophobicContact CE3-CD2 4.14Å; W300-L302 HydrophobicContact CE3-CG 4.36Å; W300-L302 PolarHBondContact O-N 2.64Å | ||
| 301 | N | 57.2 | Low | 67.3 | Low | 149 Ų | 149 | 113.9 Ų | 113.9 | 80% | 0.797 | 58% | 0.584 | S | S | * | * | trans | -80.1 | 66.9 | 170.2 | -82.7 | -26.4 | 0 | 0 | 0 | 109.7 | S299 | S299-N301 PolarHBondContact O-N 3.29Š| ||
| 302 | L | 69.8 | Low | 66.8 | Low | 38 Ų | 38 | 115.8 Ų | 115.8 | 20% | 0.199 | 60% | 0.596 | C | S | . | * | trans | -72.2 | 131.9 | 176.7 | -67.1 | 161.8 | 0 | 0 | 0 | 109.8 | W300 Q306 K307 V310 | W300-L302 HydrophobicContact CB-CD1 4.1Å; W300-L302 HydrophobicContact CB-CG 4.1Å; W300-L302 HydrophobicContact CE3-CD1 4.4Å; W300-L302 HydrophobicContact CE3-CD2 4.14Å; W300-L302 HydrophobicContact CE3-CG 4.36Å; W300-L302 PolarHBondContact O-N 2.64Å; L302-Q306 HydrophobicContact CB-CB 4.05Å; L302-Q306 HydrophobicContact CD2-CB 3.81Å; L302-K307 HydrophobicContact CB-CB 4.43Å; L302-K307 HydrophobicContact CB-CD 4.39Å; L302-K307 HydrophobicContact CB-CG 3.4Å; L302-K307 VanDerWaalsContact CB-CG 3.4Å; L302-K307 HydrophobicContact CD1-CG 4.35Å; L302-K307 WeakPolarHBondContact O-CD 3.37Å; L302-K307 WeakPolarHBondContact O-CE 3.49Å; L302-K307 WeakPolarHBondContact O-CG 3.45Å; L302-V310 HydrophobicContact CD1-CB 4.29Å; L302-V310 HydrophobicContact CD1-CG1 4.44Å; L302-V310 HydrophobicContact CD1-CG2 3.97Å; L302-V310 HydrophobicContact CD2-CG2 4.13Å | ||
| 303 | T | 79.2 | Confident | 66.5 | Low | 69 Ų | 69 | 117.1 Ų | 117.1 | 42% | 0.423 | 60% | 0.596 | S | S | . | * | trans | -58.6 | 157.9 | 168.3 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | R305 Q306 K307 | T303-R305 PolarHBondContact O-N 2.84Å; T303-R305 VanDerWaalsContact O-N 3.12Å; T303-Q306 CarbonylContact O-C 3.53Å; T303-Q306 WeakPolarHBondContact O-CA 3.21Å; T303-Q306 PolarHBondContact O-N 3.09Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.27Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.29Å; T303-Q306 PolarHBondContact OG1-N 3.44Å; T303-Q306 PolarHBondContact OG1-OE1 2.99Å; T303-K307 PolarHBondContact O-N 2.82Å | ||
| 304 | P | 75.3 | Confident | 67.6 | Low | 112 Ų | 112 | 111.2 Ų | 111.2 | 73% | 0.727 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -52.9 | -37.3 | 178.3 | -27.8 | 35.3 | 0 | 0 | 0 | 113.4 | K307 F308 | P304-K307 PolarHBondContact O-N 3.2Å; P304-F308 WeakPolarHBondContact O-CB 3.35Å; P304-F308 PolarHBondContact O-N 3.45Å |
| 305 | R | 69.1 | Low | 69.2 | Low | 198 Ų | 198 | 110.7 Ų | 110.7 | 75% | 0.747 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.9 | -40.6 | 175.5 | -166.7 | 175.3 | -178.8 | 177.4 | -1.8 | 112.2 | T303 F308 R309 | T303-R305 PolarHBondContact O-N 2.84Å; T303-R305 VanDerWaalsContact O-N 3.12Å; R305-F308 PolarHBondContact O-N 2.9Å; R305-R309 WeakPolarHBondContact O-CB 3.49Å; R305-R309 VanDerWaalsContact O-CG 3.3Å; R305-R309 WeakPolarHBondContact O-CG 3.32Å; R305-R309 PolarHBondContact O-N 3.35Å |
| 306 | Q | 74.1 | Confident | 71 | Confident | 77 Ų | 77 | 107 Ų | 107 | 36% | 0.36 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.3 | -37.3 | 174.3 | -71.7 | 163.5 | -27.7 | 0 | 0 | 112.1 | L302 T303 R309 V310 | L302-Q306 HydrophobicContact CB-CB 4.05Å; L302-Q306 HydrophobicContact CD2-CB 3.81Å; T303-Q306 CarbonylContact O-C 3.53Å; T303-Q306 WeakPolarHBondContact O-CA 3.21Å; T303-Q306 PolarHBondContact O-N 3.09Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.27Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.29Å; T303-Q306 PolarHBondContact OG1-N 3.44Å; T303-Q306 PolarHBondContact OG1-OE1 2.99Å; Q306-R309 PolarHBondContact O-N 2.8Å; Q306-V310 WeakPolarHBondContact O-CB 3.27Å; Q306-V310 VanDerWaalsContact O-CG2 3.24Å; Q306-V310 WeakPolarHBondContact O-CG2 3.34Å; Q306-V310 PolarHBondContact O-N 3Å |
| 307 | K | 78.4 | Confident | 72.7 | Confident | 119 Ų | 119 | 106.4 Ų | 106.4 | 52% | 0.517 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 172.1 | -73.9 | 179.6 | 173.2 | 167.5 | 0 | 110.7 | L302 T303 P304 V310 A311 | L302-K307 HydrophobicContact CB-CB 4.43Å; L302-K307 HydrophobicContact CB-CD 4.39Å; L302-K307 HydrophobicContact CB-CG 3.4Å; L302-K307 VanDerWaalsContact CB-CG 3.4Å; L302-K307 HydrophobicContact CD1-CG 4.35Å; L302-K307 WeakPolarHBondContact O-CD 3.37Å; L302-K307 WeakPolarHBondContact O-CE 3.49Å; L302-K307 WeakPolarHBondContact O-CG 3.45Å; T303-K307 PolarHBondContact O-N 2.82Å; P304-K307 PolarHBondContact O-N 3.2Å; K307-V310 PolarHBondContact O-N 2.89Å; K307-A311 VanDerWaalsContact O-CB 3.26Å; K307-A311 WeakPolarHBondContact O-CB 3.43Å; K307-A311 PolarHBondContact O-N 3.18Å |
| 308 | F | 80.3 | Confident | 74.4 | Confident | 146 Ų | 146 | 103.3 Ų | 103.3 | 64% | 0.64 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 174.6 | -177.5 | -102.6 | 0 | 0 | 0 | 111.4 | P304 R305 A311 V312 | P304-F308 WeakPolarHBondContact O-CB 3.35Å; P304-F308 PolarHBondContact O-N 3.45Å; R305-F308 PolarHBondContact O-N 2.9Å; F308-A311 PolarHBondContact O-N 3.22Å; F308-V312 HydrophobicContact CD1-CG2 4.15Å; F308-V312 HydrophobicContact CE1-CG2 3.8Å; F308-V312 HydrophobicContact CE2-CG2 4.19Å; F308-V312 HydrophobicContact CZ-CG2 3.82Å; F308-V312 WeakPolarHBondContact O-CB 3.29Å; F308-V312 VanDerWaalsContact O-CG2 3.24Å; F308-V312 WeakPolarHBondContact O-CG2 3.49Å; F308-V312 PolarHBondContact O-N 3.12Å |
| 309 | R | 78.6 | Confident | 75.8 | Confident | 75 Ų | 75 | 96 Ų | 96 | 28% | 0.283 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 175 | -76.1 | -179 | 68.6 | 166.4 | 2.2 | 111.3 | D258 D259 R305 Q306 A311 V312 W313 | D258-R309 PolarHBondContact O-NH1 3.37Å; D259-R309 IonicContact OD1-CZ 3.47Å; D259-R309 IonicContact OD1-NH1 2.7Å; D259-R309 IonicContact OD1-NH2 2.67Å; D259-R309 PolarHBondContact OD1-NH2 2.74Å; R305-R309 WeakPolarHBondContact O-CB 3.49Å; R305-R309 VanDerWaalsContact O-CG 3.3Å; R305-R309 WeakPolarHBondContact O-CG 3.32Å; R305-R309 PolarHBondContact O-N 3.35Å; Q306-R309 PolarHBondContact O-N 2.8Å; R309-A311 VanDerWaalsContact C-N 3.34Å; R309-A311 PolarHBondContact O-N 3.4Å; R309-V312 CarbonylContact O-C 3.52Å; R309-V312 PolarHBondContact O-N 2.82Å; R309-W313 WeakPolarHBondContact O-CB 3.26Å; R309-W313 PolarHBondContact O-N 3.4Å |
| 310 | V | 82.7 | Confident | 76.8 | Confident | 63 Ų | 63 | 100.2 Ų | 100.2 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | L302 Q306 K307 V312 W313 T314 | L302-V310 HydrophobicContact CD1-CB 4.29Å; L302-V310 HydrophobicContact CD1-CG1 4.44Å; L302-V310 HydrophobicContact CD1-CG2 3.97Å; L302-V310 HydrophobicContact CD2-CG2 4.13Å; Q306-V310 WeakPolarHBondContact O-CB 3.27Å; Q306-V310 VanDerWaalsContact O-CG2 3.24Å; Q306-V310 WeakPolarHBondContact O-CG2 3.34Å; Q306-V310 PolarHBondContact O-N 3Å; K307-V310 PolarHBondContact O-N 2.89Å; V310-V312 PolarHBondContact O-N 2.9Å; V310-W313 CarbonylContact O-C 3.37Å; V310-W313 PolarHBondContact O-N 3.44Å; V310-T314 VanDerWaalsContact O-CB 3.27Å; V310-T314 WeakPolarHBondContact O-CB 3.41Å; V310-T314 PolarHBondContact O-N 3.21Å; V310-T314 PolarHBondContact O-OG1 2.89Å |
| 311 | A | 84.9 | Confident | 77.6 | Confident | 47 Ų | 47 | 95.4 Ų | 95.4 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K307 F308 R309 W313 T314 I315 | K307-A311 VanDerWaalsContact O-CB 3.26Å; K307-A311 WeakPolarHBondContact O-CB 3.43Å; K307-A311 PolarHBondContact O-N 3.18Å; F308-A311 PolarHBondContact O-N 3.22Å; R309-A311 VanDerWaalsContact C-N 3.34Å; R309-A311 PolarHBondContact O-N 3.4Å; A311-W313 VanDerWaalsContact C-N 3.34Å; A311-W313 PolarHBondContact O-N 3.25Å; A311-T314 PolarHBondContact O-N 3.5Å; A311-I315 WeakPolarHBondContact O-CB 3.33Å; A311-I315 WeakPolarHBondContact O-CD1 3.18Å; A311-I315 WeakPolarHBondContact O-CG1 3.45Å; A311-I315 PolarHBondContact O-N 2.91Å |
| 312 | V | 86.1 | Confident | 78.3 | Confident | 50 Ų | 50 | 91.7 Ų | 91.7 | 30% | 0.303 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.4 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | F308 R309 V310 I315 L316 | F308-V312 HydrophobicContact CD1-CG2 4.15Å; F308-V312 HydrophobicContact CE1-CG2 3.8Å; F308-V312 HydrophobicContact CE2-CG2 4.19Å; F308-V312 HydrophobicContact CZ-CG2 3.82Å; F308-V312 WeakPolarHBondContact O-CB 3.29Å; F308-V312 VanDerWaalsContact O-CG2 3.24Å; F308-V312 WeakPolarHBondContact O-CG2 3.49Å; F308-V312 PolarHBondContact O-N 3.12Å; R309-V312 CarbonylContact O-C 3.52Å; R309-V312 PolarHBondContact O-N 2.82Å; V310-V312 PolarHBondContact O-N 2.9Å; V312-I315 PolarHBondContact O-N 2.68Å; V312-L316 HydrophobicContact CG1-CD1 3.65Å; V312-L316 HydrophobicContact CG1-CG 4.19Å; V312-L316 WeakPolarHBondContact O-CB 3.38Å; V312-L316 WeakPolarHBondContact O-CG 3.48Å; V312-L316 PolarHBondContact O-N 2.92Å |
| 313 | W | 81.4 | Confident | 77.7 | Confident | 150 Ų | 150 | 95 Ų | 95 | 57% | 0.568 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.4 | -37 | 179.9 | -77.8 | 50.4 | 0 | 0 | 0 | 111.9 | R309 V310 A311 L316 A317 | R309-W313 WeakPolarHBondContact O-CB 3.26Å; R309-W313 PolarHBondContact O-N 3.4Å; V310-W313 CarbonylContact O-C 3.37Å; V310-W313 PolarHBondContact O-N 3.44Å; A311-W313 VanDerWaalsContact C-N 3.34Å; A311-W313 PolarHBondContact O-N 3.25Å; W313-L316 CarbonylContact O-C 3.48Å; W313-L316 PolarHBondContact O-N 3.35Å; W313-A317 WeakPolarHBondContact O-CA 3.29Å; W313-A317 WeakPolarHBondContact O-CB 3.44Å; W313-A317 PolarHBondContact O-N 3.37Å |
| 314 | T | 86.1 | Confident | 76.3 | Confident | 83 Ų | 83 | 95.8 Ų | 95.8 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 174.5 | -61 | 0 | 0 | 0 | 0 | 110.3 | V310 A311 A317 A318 | V310-T314 VanDerWaalsContact O-CB 3.27Å; V310-T314 WeakPolarHBondContact O-CB 3.41Å; V310-T314 PolarHBondContact O-N 3.21Å; V310-T314 PolarHBondContact O-OG1 2.89Å; A311-T314 PolarHBondContact O-N 3.5Å; T314-A317 PolarHBondContact O-N 3.33Å; T314-A318 WeakPolarHBondContact O-CB 3.23Å; T314-A318 PolarHBondContact O-N 3.3Å |
| 315 | I | 87.3 | Confident | 75.2 | Confident | 123 Ų | 123 | 96.1 Ų | 96.1 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.1 | -41.2 | 173.6 | -68.7 | 166.1 | 0 | 0 | 0 | 110.6 | A311 V312 A317 G319 | A311-I315 WeakPolarHBondContact O-CB 3.33Å; A311-I315 WeakPolarHBondContact O-CD1 3.18Å; A311-I315 WeakPolarHBondContact O-CG1 3.45Å; A311-I315 PolarHBondContact O-N 2.91Å; V312-I315 PolarHBondContact O-N 2.68Å; I315-A317 VanDerWaalsContact C-N 3.35Å; I315-G319 WeakPolarHBondContact O-CA 3.46Å; I315-G319 PolarHBondContact O-N 3.5Å |
| 316 | L | 78.8 | Confident | 74.5 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -32.5 | 175.9 | -73 | 173.2 | 0 | 0 | 0 | 111.8 | V312 W313 R320 | V312-L316 HydrophobicContact CG1-CD1 3.65Å; V312-L316 HydrophobicContact CG1-CG 4.19Å; V312-L316 WeakPolarHBondContact O-CB 3.38Å; V312-L316 WeakPolarHBondContact O-CG 3.48Å; V312-L316 PolarHBondContact O-N 2.92Å; W313-L316 CarbonylContact O-C 3.48Å; W313-L316 PolarHBondContact O-N 3.35Å; L316-R320 WeakPolarHBondContact O-CA 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.24Å; L316-R320 WeakPolarHBondContact O-CD 3.45Å; L316-R320 WeakPolarHBondContact O-CG 3.32Å; L316-R320 PolarHBondContact O-N 3.14Å |
| 317 | A | 79.9 | Confident | 73.1 | Confident | 47 Ų | 47 | 100.3 Ų | 100.3 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.3 | -47.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | W313 T314 I315 G319 R320 V321 | W313-A317 WeakPolarHBondContact O-CA 3.29Å; W313-A317 WeakPolarHBondContact O-CB 3.44Å; W313-A317 PolarHBondContact O-N 3.37Å; T314-A317 PolarHBondContact O-N 3.33Å; I315-A317 VanDerWaalsContact C-N 3.35Å; A317-G319 VanDerWaalsContact C-N 3.29Å; A317-G319 PolarHBondContact O-N 3.27Å; A317-R320 CarbonylContact O-C 3.53Å; A317-R320 WeakPolarHBondContact O-CA 3.47Å; A317-R320 PolarHBondContact O-N 2.72Å; A317-R320 VanDerWaalsContact O-N 3.12Å; A317-V321 WeakPolarHBondContact O-CB 3.03Å; A317-V321 VanDerWaalsContact O-CG2 3.24Å; A317-V321 WeakPolarHBondContact O-CG2 3.46Å; A317-V321 PolarHBondContact O-N 3.23Å |
| 318 | A | 83.6 | Confident | 71.5 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T314 V321 A322 | T314-A318 WeakPolarHBondContact O-CB 3.23Å; T314-A318 PolarHBondContact O-N 3.3Å; A318-V321 PolarHBondContact O-N 3.49Å; A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 3.34Å |
| 319 | G | 75.4 | Confident | 70.1 | Confident | 27 Ų | 27 | 107 Ų | 107 | 28% | 0.278 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -43.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I315 A317 V321 L323 | I315-G319 WeakPolarHBondContact O-CA 3.46Å; I315-G319 PolarHBondContact O-N 3.5Å; A317-G319 VanDerWaalsContact C-N 3.29Å; A317-G319 PolarHBondContact O-N 3.27Å; G319-V321 PolarHBondContact O-N 2.91Å; G319-L323 WeakPolarHBondContact O-CA 3.47Å; G319-L323 WeakPolarHBondContact O-CB 3.12Å; G319-L323 WeakPolarHBondContact O-CD1 3.31Å; G319-L323 WeakPolarHBondContact O-CG 3.43Å; G319-L323 PolarHBondContact O-N 3.01Å |
| 320 | R | 67.8 | Low | 69 | Low | 178 Ų | 178 | 108.1 Ų | 108.1 | 67% | 0.672 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.3 | -31.1 | 175.1 | -82.8 | 169.3 | -173.5 | 179.8 | 3.9 | 113 | L316 A317 L323 S324 | L316-R320 WeakPolarHBondContact O-CA 3.29Å; L316-R320 WeakPolarHBondContact O-CB 3.24Å; L316-R320 WeakPolarHBondContact O-CD 3.45Å; L316-R320 WeakPolarHBondContact O-CG 3.32Å; L316-R320 PolarHBondContact O-N 3.14Å; A317-R320 CarbonylContact O-C 3.53Å; A317-R320 WeakPolarHBondContact O-CA 3.47Å; A317-R320 PolarHBondContact O-N 2.72Å; A317-R320 VanDerWaalsContact O-N 3.12Å; R320-L323 CarbonylContact O-C 3.54Å; R320-S324 WeakPolarHBondContact O-CA 3.42Å; R320-S324 WeakPolarHBondContact O-CB 3.42Å; R320-S324 PolarHBondContact O-N 2.92Å |
| 321 | V | 72.8 | Confident | 67.9 | Low | 104 Ų | 104 | 110.5 Ų | 110.5 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -79.2 | -43.8 | 177.4 | 168.4 | 0 | 0 | 0 | 0 | 110 | A317 A318 G319 L323 S324 | A317-V321 WeakPolarHBondContact O-CB 3.03Å; A317-V321 VanDerWaalsContact O-CG2 3.24Å; A317-V321 WeakPolarHBondContact O-CG2 3.46Å; A317-V321 PolarHBondContact O-N 3.23Å; A318-V321 PolarHBondContact O-N 3.49Å; G319-V321 PolarHBondContact O-N 2.91Å; V321-L323 VanDerWaalsContact C-N 3.27Å; V321-L323 PolarHBondContact O-N 2.8Å; V321-S324 VanDerWaalsContact O-CB 3.32Å; V321-S324 WeakPolarHBondContact O-CB 3.34Å; V321-S324 PolarHBondContact O-N 3.08Å |
| 322 | A | 72.4 | Confident | 67.2 | Low | 72 Ų | 72 | 112 Ų | 112 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.4 | -30.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A318 T325 | A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 3.34Å; A322-T325 PolarHBondContact O-OG1 3.46Å |
| 323 | L | 58.5 | Low | 66.3 | Low | 108 Ų | 108 | 117.6 Ų | 117.6 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -0.3 | 169.3 | -60.3 | 165.1 | 0 | 0 | 0 | 111.8 | G319 R320 V321 T325 H326 R327 | G319-L323 WeakPolarHBondContact O-CA 3.47Å; G319-L323 WeakPolarHBondContact O-CB 3.12Å; G319-L323 WeakPolarHBondContact O-CD1 3.31Å; G319-L323 WeakPolarHBondContact O-CG 3.43Å; G319-L323 PolarHBondContact O-N 3.01Å; R320-L323 CarbonylContact O-C 3.54Å; V321-L323 VanDerWaalsContact C-N 3.27Å; V321-L323 PolarHBondContact O-N 2.8Å; L323-T325 VanDerWaalsContact C-N 3.3Å; L323-H326 CarbonylContact O-C 3.56Å; L323-H326 WeakPolarHBondContact O-CA 3.44Å; L323-H326 PolarHBondContact O-N 3.5Å; L323-R327 PolarHBondContact O-N 3.43Å; L323-R327 VanDerWaalsContact O-N 3.12Å |
| 324 | S | 49.7 | Very low | 65.8 | Low | 85 Ų | 85 | 116.7 Ų | 116.7 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -23.4 | 177.2 | 173 | 0 | 0 | 0 | 0 | 110.2 | R320 V321 H326 | R320-S324 WeakPolarHBondContact O-CA 3.42Å; R320-S324 WeakPolarHBondContact O-CB 3.42Å; R320-S324 PolarHBondContact O-N 2.92Å; V321-S324 VanDerWaalsContact O-CB 3.32Å; V321-S324 WeakPolarHBondContact O-CB 3.34Å; V321-S324 PolarHBondContact O-N 3.08Å; S324-H326 PolarHBondContact O-N 3.35Å |
| 325 | T | 51.4 | Low | 64.9 | Low | 118 Ų | 118 | 115.3 Ų | 115.3 | 72% | 0.724 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -67.1 | -18.2 | 163.8 | 53 | 0 | 0 | 0 | 0 | 111.1 | A322 L323 | A322-T325 PolarHBondContact O-OG1 3.46Å; L323-T325 VanDerWaalsContact C-N 3.3Å |
| 326 | H | 54.5 | Low | 64.1 | Low | 151 Ų | 151 | 112.5 Ų | 112.5 | 70% | 0.699 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -146.6 | 81.8 | 177.3 | -93.3 | 0.9 | 0 | 0 | 0 | 113.3 | L323 S324 | L323-H326 CarbonylContact O-C 3.56Å; L323-H326 WeakPolarHBondContact O-CA 3.44Å; L323-H326 PolarHBondContact O-N 3.5Å; S324-H326 PolarHBondContact O-N 3.35Å |
| 327 | R | 45.2 | Very low | 63.9 | Low | 213 Ų | 213 | 114.4 Ų | 114.4 | 80% | 0.804 | 61% | 0.607 | S | S | * | * | trans | 100.7 | 108.3 | 167.4 | -53.5 | 177.3 | -170.7 | -144.9 | 3.2 | 116.6 | L323 R329 | L323-R327 PolarHBondContact O-N 3.43Å; L323-R327 VanDerWaalsContact O-N 3.12Å; R327-R329 PolarHBondContact O-N 3.4Å | ||
| 328 | L | 44.7 | Very low | 63.9 | Low | 168 Ų | 168 | 123.1 Ų | 123.1 | 88% | 0.88 | 63% | 0.63 | S | S | * | * | trans | -52.1 | 118.9 | 133.4 | -75.9 | 156.7 | 0 | 0 | 0 | 106.9 | P330 | L328-P330 WeakPolarHBondContact O-CD 3.35Å; L328-P330 VanDerWaalsContact O-N 3.1Å | ||
| 329 | R | 50.5 | Low | 63.4 | Low | 238 Ų | 238 | 124.2 Ų | 124.2 | 90% | 0.898 | 63% | 0.627 | S | S | * | * | trans | -62.4 | 113.8 | 166.7 | -89.2 | -171.9 | -178.3 | -176 | 0.9 | 106.6 | R327 L331 | R327-R329 PolarHBondContact O-N 3.4Å; R329-L331 PolarHBondContact O-N 3.28Å | ||
| 330 | P | 56.3 | Low | 63.3 | Low | 97 Ų | 97 | 124.7 Ų | 124.7 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | trans | -63.3 | 140.4 | 176.9 | 26.3 | -31.3 | 0 | 0 | 0 | 108.3 | L328 T332 | L328-P330 WeakPolarHBondContact O-CD 3.35Å; L328-P330 VanDerWaalsContact O-N 3.1Å; P330-T332 PolarHBondContact O-N 3.29Å | ||
| 331 | L | 59.1 | Low | 63.5 | Low | 113 Ų | 113 | 120.7 Ų | 120.7 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | trans | -51.4 | 108.1 | 165.5 | -92 | 120.7 | 0 | 0 | 0 | 107.7 | R329 K333 L336 L343 V346 | R329-L331 PolarHBondContact O-N 3.28Å; L331-K333 PolarHBondContact O-N 2.81Å; L331-L336 HydrophobicContact CB-CD1 4.21Å; L331-L336 HydrophobicContact CD2-CD1 3.96Å; L331-L336 HydrophobicContact CD2-CD2 3.78Å; L331-L336 HydrophobicContact CD2-CG 3.82Å; L331-L343 HydrophobicContact CD2-CD1 4.21Å; L331-V346 HydrophobicContact CD2-CG2 3.74Å | ||
| 332 | T | 68.8 | Low | 63.3 | Low | 80 Ų | 80 | 118.6 Ų | 118.6 | 49% | 0.491 | 61% | 0.605 | S | S | . | * | trans | -71.6 | 130.3 | 179.2 | 28 | 0 | 0 | 0 | 0 | 108.9 | P330 N334 S335 L336 | P330-T332 PolarHBondContact O-N 3.29Å; T332-N334 PolarHBondContact O-N 3.3Å; T332-S335 WeakPolarHBondContact O-CB 3.32Å; T332-S335 PolarHBondContact O-N 2.87Å; T332-S335 PolarHBondContact OG1-OG 2.76Å; T332-L336 PolarHBondContact O-N 2.99Å | ||
| 333 | K | 68.4 | Low | 63.1 | Low | 167 Ų | 167 | 118.4 Ų | 118.4 | 73% | 0.726 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -49.2 | -37.5 | 179.3 | -156.1 | 178.9 | -176.8 | -178.8 | 0 | 112.1 | L331 S335 L336 L337 | L331-K333 PolarHBondContact O-N 2.81Å; K333-S335 PolarHBondContact O-N 3.39Å; K333-L336 PolarHBondContact O-N 3.42Å; K333-L337 HydrophobicContact CG-CD1 4.08Å; K333-L337 WeakPolarHBondContact O-CB 3.48Å; K333-L337 VanDerWaalsContact O-CG 3.26Å; K333-L337 WeakPolarHBondContact O-CG 3.44Å; K333-L337 PolarHBondContact O-N 2.92Å |
| 334 | N | 71.5 | Confident | 63.3 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 70% | 0.695 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.8 | -32.7 | 176.9 | -74.3 | -8.3 | 0 | 0 | 0 | 114.3 | T332 R338 | T332-N334 PolarHBondContact O-N 3.3Å; N334-R338 WeakPolarHBondContact O-CB 3.43Å; N334-R338 PolarHBondContact O-N 3.16Å; N334-R338 VanDerWaalsContact O-N 3.14Å |
| 335 | S | 66 | Low | 64.1 | Low | 55 Ų | 55 | 118.2 Ų | 118.2 | 39% | 0.385 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.1 | -37.8 | 178.6 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | T332 K333 D339 | T332-S335 WeakPolarHBondContact O-CB 3.32Å; T332-S335 PolarHBondContact O-N 2.87Å; T332-S335 PolarHBondContact OG1-OG 2.76Å; K333-S335 PolarHBondContact O-N 3.39Å; S335-D339 PolarHBondContact O-N 3.22Å |
| 336 | L | 70.4 | Confident | 65.3 | Low | 63 Ų | 63 | 113.6 Ų | 113.6 | 33% | 0.33 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.1 | -36.3 | 173.4 | -78.1 | 167.4 | 0 | 0 | 0 | 112.7 | L331 T332 K333 P340 V346 | L331-L336 HydrophobicContact CB-CD1 4.21Å; L331-L336 HydrophobicContact CD2-CD1 3.96Å; L331-L336 HydrophobicContact CD2-CD2 3.78Å; L331-L336 HydrophobicContact CD2-CG 3.82Å; T332-L336 PolarHBondContact O-N 2.99Å; K333-L336 PolarHBondContact O-N 3.42Å; L336-P340 WeakPolarHBondContact O-CB 3.26Å; L336-P340 VanDerWaalsContact O-CD 3.31Å; L336-P340 WeakPolarHBondContact O-CD 3.35Å; L336-V346 HydrophobicContact CD2-CB 4.33Å; L336-V346 HydrophobicContact CD2-CG1 3.6Å; L336-V346 HydrophobicContact CD2-CG2 3.8Å |
| 337 | L | 74.4 | Confident | 66.4 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 68% | 0.675 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -76.9 | -29.1 | -179 | -73.5 | 169 | 0 | 0 | 0 | 113.4 | K333 | K333-L337 HydrophobicContact CG-CD1 4.08Å; K333-L337 WeakPolarHBondContact O-CB 3.48Å; K333-L337 VanDerWaalsContact O-CG 3.26Å; K333-L337 WeakPolarHBondContact O-CG 3.44Å; K333-L337 PolarHBondContact O-N 2.92Å |
| 338 | R | 80.4 | Confident | 67.5 | Low | 231 Ų | 231 | 103.8 Ų | 103.8 | 87% | 0.872 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -81.4 | -49.4 | -175.2 | -173.1 | -179.7 | 178.9 | -168.4 | -0.3 | 112.9 | N334 | N334-R338 WeakPolarHBondContact O-CB 3.43Å; N334-R338 PolarHBondContact O-N 3.16Å; N334-R338 VanDerWaalsContact O-N 3.14Å |
| 339 | D | 73.1 | Confident | 68.9 | Low | 81 Ų | 81 | 101.2 Ų | 101.2 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | trans | -155.4 | 84.3 | 178.6 | -173.4 | -6.8 | 0 | 0 | 0 | 109.7 | S335 Y341 A342 | S335-D339 PolarHBondContact O-N 3.22Å; D339-Y341 PolarHBondContact O-N 3.37Å; D339-Y341 PolarHBondContact OD1-N 2.79Å; D339-Y341 VanDerWaalsContact OD1-N 3.12Å; D339-A342 HydrophobicContact CB-CB 4.13Å; D339-A342 PolarHBondContact O-N 3.37Å; D339-A342 PolarHBondContact OD1-N 2.97Å; D339-A342 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 340 | P | 72.8 | Confident | 70.4 | Confident | 37 Ų | 37 | 92.3 Ų | 92.3 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -66.5 | -24.1 | 179.1 | 24.9 | -29.8 | 0 | 0 | 0 | 112.2 | L336 V346 I350 | L336-P340 WeakPolarHBondContact O-CB 3.26Å; L336-P340 VanDerWaalsContact O-CD 3.31Å; L336-P340 WeakPolarHBondContact O-CD 3.35Å; P340-V346 HydrophobicContact CB-CG1 4.15Å; P340-I350 HydrophobicContact CB-CD1 3.76Å; P340-I350 HydrophobicContact CG-CD1 4.36Å |
| 341 | Y | 71.6 | Confident | 71.1 | Confident | 95 Ų | 95 | 88.6 Ų | 88.6 | 37% | 0.373 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -25.8 | 179.5 | -76.6 | -90.6 | 0 | 0 | 0 | 111.9 | D339 L343 R347 I350 | D339-Y341 PolarHBondContact O-N 3.37Å; D339-Y341 PolarHBondContact OD1-N 2.79Å; D339-Y341 VanDerWaalsContact OD1-N 3.12Å; Y341-L343 PolarHBondContact O-N 2.71Å; Y341-L343 VanDerWaalsContact O-N 3.16Å; Y341-R347 HydrophobicContact CD1-CG 3.85Å; Y341-R347 HydrophobicContact CE1-CG 4.45Å; Y341-R347 PolarHBondContact O-NE 2.87Å; Y341-R347 PolarHBondContact O-NH2 3.27Å; Y341-I350 HydrophobicContact CE1-CG2 4.24Å; Y341-I350 WeakPolarHBondContact OH-CG2 3.32Å |
| 342 | A | 69.1 | Low | 71.6 | Confident | 60 Ų | 60 | 85.1 Ų | 85.1 | 50% | 0.496 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D339 | D339-A342 HydrophobicContact CB-CB 4.13Å; D339-A342 PolarHBondContact O-N 3.37Å; D339-A342 PolarHBondContact OD1-N 2.97Å; D339-A342 WeakPolarHBondContact OD2-CB 3.44Å |
| 343 | L | 69.4 | Low | 72 | Confident | 68 Ų | 68 | 84.1 Ų | 84.1 | 36% | 0.356 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -93.2 | 105.9 | -176.7 | -64.3 | 175.9 | 0 | 0 | 0 | 111.2 | L331 Y341 P345 V346 R347 | L331-L343 HydrophobicContact CD2-CD1 4.21Å; Y341-L343 PolarHBondContact O-N 2.71Å; Y341-L343 VanDerWaalsContact O-N 3.16Å; L343-P345 VanDerWaalsContact C-CD 3.45Å; L343-P345 VanDerWaalsContact C-N 3.35Å; L343-P345 VanDerWaalsContact O-N 3.13Å; L343-V346 HydrophobicContact CB-CB 3.99Å; L343-V346 HydrophobicContact CB-CG2 3.89Å; L343-V346 HydrophobicContact CD1-CG2 4.07Å; L343-V346 PolarHBondContact O-N 2.76Å; L343-R347 PolarHBondContact O-N 2.84Å |
| 344 | R | 62.8 | Low | 72.2 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -46.9 | -43.1 | -177.9 | -163.9 | 179.9 | -172.1 | 178.5 | 5.9 | 115.2 | D259 R348 | D259-R344 IonicContact OD2-CZ 3.99Å; D259-R344 IonicContact OD2-NH1 2.79Å; D259-R344 PolarHBondContact OD2-NH1 3.02Å; R344-R348 WeakPolarHBondContact O-CG 3.36Å; R344-R348 PolarHBondContact O-N 3Å; R344-R348 VanDerWaalsContact O-N 3.13Å |
| 345 | P | 66.1 | Low | 71.8 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.2 | -36.7 | 177.5 | -19.3 | 33.2 | 0 | 0 | 0 | 113.6 | L343 L349 | L343-P345 VanDerWaalsContact C-CD 3.45Å; L343-P345 VanDerWaalsContact C-N 3.35Å; L343-P345 VanDerWaalsContact O-N 3.13Å; P345-L349 PolarHBondContact O-N 3.2Å |
| 346 | V | 76.6 | Confident | 72 | Confident | 21 Ų | 21 | 80.5 Ų | 80.5 | 13% | 0.127 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.8 | -44.1 | 178.7 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | L331 L336 P340 L343 R348 L349 I350 | L331-V346 HydrophobicContact CD2-CG2 3.74Å; L336-V346 HydrophobicContact CD2-CB 4.33Å; L336-V346 HydrophobicContact CD2-CG1 3.6Å; L336-V346 HydrophobicContact CD2-CG2 3.8Å; P340-V346 HydrophobicContact CB-CG1 4.15Å; L343-V346 HydrophobicContact CB-CB 3.99Å; L343-V346 HydrophobicContact CB-CG2 3.89Å; L343-V346 HydrophobicContact CD1-CG2 4.07Å; L343-V346 PolarHBondContact O-N 2.76Å; V346-R348 PolarHBondContact O-N 2.87Å; V346-L349 WeakPolarHBondContact O-CB 3.49Å; V346-L349 PolarHBondContact O-N 3.44Å; V346-L349 VanDerWaalsContact O-N 3.11Å; V346-I350 HydrophobicContact CG1-CD1 3.78Å; V346-I350 HydrophobicContact CG1-CG1 4.32Å; V346-I350 WeakPolarHBondContact O-CG1 3.27Å; V346-I350 PolarHBondContact O-N 2.86Å |
| 347 | R | 77.6 | Confident | 72 | Confident | 60 Ų | 60 | 82.8 Ų | 82.8 | 23% | 0.226 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -52.7 | -52.6 | 173.4 | -173.7 | -172 | -52.2 | 173 | -1.2 | 111.4 | E256 Y341 L343 L349 I350 D351 | E256-R347 IonicContact OE1-NH1 3.89Å; E256-R347 PolarHBondContact OE1-NH1 3.43Å; Y341-R347 HydrophobicContact CD1-CG 3.85Å; Y341-R347 HydrophobicContact CE1-CG 4.45Å; Y341-R347 PolarHBondContact O-NE 2.87Å; Y341-R347 PolarHBondContact O-NH2 3.27Å; L343-R347 PolarHBondContact O-N 2.84Å; R347-L349 VanDerWaalsContact C-N 3.27Å; R347-L349 PolarHBondContact O-N 3.44Å; R347-I350 PolarHBondContact O-N 3.48Å; R347-I350 VanDerWaalsContact O-N 3.09Å; R347-D351 WeakPolarHBondContact CG-OD2 3.25Å; R347-D351 PolarHBondContact O-N 3.2Å |
| 348 | R | 67.4 | Low | 71.6 | Confident | 98 Ų | 98 | 83.5 Ų | 83.5 | 37% | 0.37 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.7 | -39.5 | 176.9 | -76.2 | 177.9 | 175.4 | 177.8 | -4 | 113 | R344 V346 N352 | R344-R348 WeakPolarHBondContact O-CG 3.36Å; R344-R348 PolarHBondContact O-N 3Å; R344-R348 VanDerWaalsContact O-N 3.13Å; V346-R348 PolarHBondContact O-N 2.87Å; R348-N352 VanDerWaalsContact O-CB 3.25Å; R348-N352 WeakPolarHBondContact O-CB 3.4Å; R348-N352 PolarHBondContact O-N 3.35Å; R348-N352 PolarHBondContact O-ND2 3.49Å |
| 349 | L | 75.4 | Confident | 70.5 | Confident | 115 Ų | 115 | 73.2 Ų | 73.2 | 60% | 0.602 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.6 | -44.6 | 175.9 | -98.8 | 156.1 | 0 | 0 | 0 | 111.9 | P345 V346 R347 N352 C353 | P345-L349 PolarHBondContact O-N 3.2Å; V346-L349 WeakPolarHBondContact O-CB 3.49Å; V346-L349 PolarHBondContact O-N 3.44Å; V346-L349 VanDerWaalsContact O-N 3.11Å; R347-L349 VanDerWaalsContact C-N 3.27Å; R347-L349 PolarHBondContact O-N 3.44Å; L349-N352 PolarHBondContact O-N 3.47Å; L349-C353 WeakPolarHBondContact O-CB 3.36Å; L349-C353 PolarHBondContact O-N 3.01Å; L349-C353 PolarHBondContact O-SG 3.17Å |
| 350 | I | 80.3 | Confident | 69.9 | Low | 50 Ų | 50 | 76.5 Ų | 76.5 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 177.7 | -68.1 | 168.9 | 0 | 0 | 0 | 110.3 | P340 Y341 V346 R347 N352 C353 A354 | P340-I350 HydrophobicContact CB-CD1 3.76Å; P340-I350 HydrophobicContact CG-CD1 4.36Å; Y341-I350 HydrophobicContact CE1-CG2 4.24Å; Y341-I350 WeakPolarHBondContact OH-CG2 3.32Å; V346-I350 HydrophobicContact CG1-CD1 3.78Å; V346-I350 HydrophobicContact CG1-CG1 4.32Å; V346-I350 WeakPolarHBondContact O-CG1 3.27Å; V346-I350 PolarHBondContact O-N 2.86Å; R347-I350 PolarHBondContact O-N 3.48Å; R347-I350 VanDerWaalsContact O-N 3.09Å; I350-N352 VanDerWaalsContact C-N 3.33Å; I350-N352 PolarHBondContact O-N 3.13Å; I350-C353 PolarHBondContact O-N 3.38Å; I350-A354 WeakPolarHBondContact O-CB 3.1Å; I350-A354 PolarHBondContact O-N 3.22Å |
| 351 | D | 71.7 | Confident | 68.9 | Low | 20 Ų | 20 | 83.7 Ų | 83.7 | 11% | 0.107 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 179.9 | -63 | -18.2 | 0 | 0 | 0 | 110.9 | V123 R347 C353 A354 F355 F374 | V123-D351 HydrophobicContact CG2-CB 4.07Å; R347-D351 WeakPolarHBondContact CG-OD2 3.25Å; R347-D351 PolarHBondContact O-N 3.2Å; D351-C353 PolarHBondContact O-N 3.46Å; D351-A354 PolarHBondContact O-N 3.19Å; D351-F355 WeakPolarHBondContact O-CB 3.43Å; D351-F355 PolarHBondContact O-N 3.16Å; D351-F374 HydrophobicContact CB-CE1 4.45Å |
| 352 | N | 70.2 | Confident | 68.1 | Low | 40 Ų | 40 | 80.4 Ų | 80.4 | 21% | 0.214 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.4 | -78.8 | -7.9 | 0 | 0 | 0 | 112.8 | E121 V123 R348 L349 I350 R356 | E121-N352 PolarHBondContact O-ND2 3.46Å; E121-N352 PolarHBondContact O-OD1 2.86Å; V123-N352 VanDerWaalsContact CG2-OD1 3.29Å; V123-N352 WeakPolarHBondContact CG2-OD1 3.38Å; R348-N352 VanDerWaalsContact O-CB 3.25Å; R348-N352 WeakPolarHBondContact O-CB 3.4Å; R348-N352 PolarHBondContact O-N 3.35Å; R348-N352 PolarHBondContact O-ND2 3.49Å; L349-N352 PolarHBondContact O-N 3.47Å; I350-N352 VanDerWaalsContact C-N 3.33Å; I350-N352 PolarHBondContact O-N 3.13Å; N352-R356 WeakPolarHBondContact O-CG 3.45Å; N352-R356 PolarHBondContact O-N 3.1Å |
| 353 | C | 76.3 | Confident | 67.2 | Low | 58 Ų | 58 | 84.8 Ų | 84.8 | 39% | 0.392 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 176.5 | -74.2 | 0 | 0 | 0 | 0 | 111.7 | L349 I350 D351 F355 R356 L357 | L349-C353 WeakPolarHBondContact O-CB 3.36Å; L349-C353 PolarHBondContact O-N 3.01Å; L349-C353 PolarHBondContact O-SG 3.17Å; I350-C353 PolarHBondContact O-N 3.38Å; D351-C353 PolarHBondContact O-N 3.46Å; C353-F355 VanDerWaalsContact C-N 3.31Å; C353-F355 PolarHBondContact O-N 3.09Å; C353-R356 PolarHBondContact O-N 3.04Å; C353-L357 WeakPolarHBondContact O-CG 3.14Å; C353-L357 PolarHBondContact O-N 3.46Å |
| 354 | A | 73.7 | Confident | 66.3 | Low | 33 Ų | 33 | 87.8 Ų | 87.8 | 27% | 0.273 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I350 D351 L357 Y358 | I350-A354 WeakPolarHBondContact O-CB 3.1Å; I350-A354 PolarHBondContact O-N 3.22Å; D351-A354 PolarHBondContact O-N 3.19Å; A354-L357 PolarHBondContact O-N 3.33Å; A354-Y358 HydrophobicContact CB-CD2 4.41Å; A354-Y358 WeakPolarHBondContact O-CB 3.37Å; A354-Y358 VanDerWaalsContact O-CD2 3.23Å; A354-Y358 WeakPolarHBondContact O-CD2 3.29Å; A354-Y358 PolarHBondContact O-N 3.01Å |
| 355 | F | 63.5 | Low | 65.9 | Low | 46 Ų | 46 | 85.9 Ų | 85.9 | 20% | 0.202 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 176 | -175 | -105.9 | 0 | 0 | 0 | 113.2 | T120 D351 C353 L357 G359 V362 L373 | T120-F355 HydrophobicContact CG2-CB 4.43Å; T120-F355 HydrophobicContact CG2-CD1 3.69Å; T120-F355 HydrophobicContact CG2-CD2 3.26Å; T120-F355 HydrophobicContact CG2-CE1 3.6Å; T120-F355 HydrophobicContact CG2-CE2 3.2Å; T120-F355 HydrophobicContact CG2-CG 3.51Å; T120-F355 HydrophobicContact CG2-CZ 3.36Å; D351-F355 WeakPolarHBondContact O-CB 3.43Å; D351-F355 PolarHBondContact O-N 3.16Å; C353-F355 VanDerWaalsContact C-N 3.31Å; C353-F355 PolarHBondContact O-N 3.09Å; F355-L357 PolarHBondContact O-N 2.63Å; F355-G359 WeakPolarHBondContact O-CA 3.41Å; F355-G359 PolarHBondContact O-N 2.75Å; F355-V362 HydrophobicContact CD2-CG2 4.45Å; F355-V362 HydrophobicContact CE2-CG2 4.26Å; F355-L373 HydrophobicContact CD2-CD1 4.24Å |
| 356 | R | 70 | Confident | 64.8 | Low | 197 Ų | 197 | 88.9 Ų | 88.9 | 74% | 0.743 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -61 | -35.5 | 175 | -74.5 | -176.3 | -143.8 | 174.2 | 3 | 112.8 | N352 C353 | N352-R356 WeakPolarHBondContact O-CG 3.45Å; N352-R356 PolarHBondContact O-N 3.1Å; C353-R356 PolarHBondContact O-N 3.04Å |
| 357 | L | 68.9 | Low | 63.1 | Low | 111 Ų | 111 | 95.6 Ų | 95.6 | 58% | 0.581 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -81.1 | -44.2 | -179.7 | -74.5 | 164.6 | 0 | 0 | 0 | 112.1 | C353 A354 F355 H360 | C353-L357 WeakPolarHBondContact O-CG 3.14Å; C353-L357 PolarHBondContact O-N 3.46Å; A354-L357 PolarHBondContact O-N 3.33Å; F355-L357 PolarHBondContact O-N 2.63Å; L357-H360 PolarHBondContact O-CE1 3.38Å; L357-H360 PolarHBondContact O-ND1 3.25Å |
| 358 | Y | 67.6 | Low | 61.8 | Low | 144 Ų | 144 | 96.5 Ų | 96.5 | 57% | 0.565 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -111.8 | 1.1 | -170 | -55.1 | -66.6 | 0 | 0 | 0 | 114 | A354 H360 W361 | A354-Y358 HydrophobicContact CB-CD2 4.41Å; A354-Y358 WeakPolarHBondContact O-CB 3.37Å; A354-Y358 VanDerWaalsContact O-CD2 3.23Å; A354-Y358 WeakPolarHBondContact O-CD2 3.29Å; A354-Y358 PolarHBondContact O-N 3.01Å; Y358-H360 PolarHBondContact O-N 3.34Å; Y358-H360 VanDerWaalsContact O-N 3.17Å; Y358-W361 WeakPolarHBondContact O-CA 3.44Å; Y358-W361 WeakPolarHBondContact O-CB 3.38Å; Y358-W361 PolarHBondContact O-N 3.19Å |
| 359 | G | 57.2 | Low | 60.9 | Low | 16 Ų | 16 | 93.8 Ų | 93.8 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -59.8 | -29.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F355 W361 V362 | F355-G359 WeakPolarHBondContact O-CA 3.41Å; F355-G359 PolarHBondContact O-N 2.75Å; G359-W361 PolarHBondContact O-N 2.98Å; G359-V362 WeakPolarHBondContact O-CB 3.18Å; G359-V362 PolarHBondContact O-N 3.19Å; G359-V362 VanDerWaalsContact O-N 3.09Å |
| 360 | H | 60.3 | Low | 59.8 | Low | 150 Ų | 150 | 88.8 Ų | 88.8 | 69% | 0.694 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -68.2 | -14.1 | 173.1 | 67.9 | -80.1 | 0 | 0 | 0 | 114.3 | L357 Y358 | L357-H360 PolarHBondContact O-CE1 3.38Å; L357-H360 PolarHBondContact O-ND1 3.25Å; Y358-H360 PolarHBondContact O-N 3.34Å; Y358-H360 VanDerWaalsContact O-N 3.17Å |
| 361 | W | 51.1 | Low | 58.5 | Low | 188 Ų | 188 | 87 Ų | 87 | 71% | 0.712 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -93.7 | -10.3 | 173.2 | -67.1 | 62.3 | 0 | 0 | 0 | 112.6 | Y358 G359 K363 | Y358-W361 WeakPolarHBondContact O-CA 3.44Å; Y358-W361 WeakPolarHBondContact O-CB 3.38Å; Y358-W361 PolarHBondContact O-N 3.19Å; G359-W361 PolarHBondContact O-N 2.98Å; W361-K363 PolarHBondContact O-N 3.4Å |
| 362 | V | 55.3 | Low | 57.7 | Low | 25 Ų | 25 | 88.2 Ų | 88.2 | 15% | 0.152 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -77.8 | 101.3 | 171.7 | -174.6 | 0 | 0 | 0 | 0 | 106.1 | F355 G359 K364 L373 | F355-V362 HydrophobicContact CD2-CG2 4.45Å; F355-V362 HydrophobicContact CE2-CG2 4.26Å; G359-V362 WeakPolarHBondContact O-CB 3.18Å; G359-V362 PolarHBondContact O-N 3.19Å; G359-V362 VanDerWaalsContact O-N 3.09Å; V362-K364 PolarHBondContact O-N 3.18Å; V362-L373 HydrophobicContact CG2-CD1 3.81Å; V362-L373 HydrophobicContact CG2-CD2 3.56Å; V362-L373 HydrophobicContact CG2-CG 3.8Å |
| 363 | K | 49.6 | Very low | 56.8 | Low | 152 Ų | 152 | 89.3 Ų | 89.3 | 66% | 0.661 | 44% | 0.438 | S | S | * | . | trans | -69.1 | 124.9 | -178.6 | -64.2 | -174.9 | 175.2 | -175.3 | 0 | 108.9 | W361 Q368 | W361-K363 PolarHBondContact O-N 3.4Å; K363-Q368 VanDerWaalsContact N-OE1 3.16Å | ||
| 364 | K | 51.3 | Low | 55.7 | Low | 131 Ų | 131 | 90.2 Ų | 90.2 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | trans | -73.9 | 117.6 | 171.5 | -61.9 | -172.4 | 165.5 | -149.1 | 0 | 108.5 | E114 D117 V362 | E114-K364 IonicContact OE1-NZ 3.44Å; E114-K364 PolarHBondContact OE1-NZ 3.29Å; E114-K364 VanDerWaalsContact OE1-NZ 3.1Å; E114-K364 IonicContact OE2-NZ 2.68Å; D117-K364 IonicContact OD1-NZ 2.69Å; D117-K364 IonicContact OD2-NZ 3.59Å; D117-K364 PolarHBondContact OD2-NZ 2.95Å; V362-K364 PolarHBondContact O-N 3.18Å | ||
| 365 | G | 53.6 | Low | 54.8 | Low | 55 Ų | 55 | 92.4 Ų | 92.4 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 145.8 | -175.7 | 174 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q367 Q368 | G365-Q367 PolarHBondContact O-N 3.23Å; G365-Q368 PolarHBondContact O-N 2.96Å |
| 366 | E | 42.5 | Very low | 53.6 | Low | 156 Ų | 156 | 98.1 Ų | 98.1 | 73% | 0.729 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -21.4 | -170.9 | -69.3 | 178 | 156.4 | 0 | 0 | 115.8 | ||
| 367 | Q | 40.6 | Very low | 52.1 | Low | 162 Ų | 162 | 95.9 Ų | 95.9 | 76% | 0.757 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -4 | -175.6 | -69.6 | -161.6 | -7.9 | 0 | 0 | 116 | G365 | G365-Q367 PolarHBondContact O-N 3.23Š|
| 368 | Q | 50.3 | Low | 50.5 | Low | 80 Ų | 80 | 95.7 Ų | 95.7 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | trans | -141.4 | 113.3 | -175.1 | -71.9 | -170.1 | -8.2 | 0 | 0 | 115.6 | K363 G365 | K363-Q368 VanDerWaalsContact N-OE1 3.16Å; G365-Q368 PolarHBondContact O-N 2.96Å | ||
| 369 | N | 50.5 | Low | 49.2 | Very low | 41 Ų | 41 | 93.1 Ų | 93.1 | 22% | 0.219 | 47% | 0.472 | C | S | . | . | trans | -93.4 | 143.3 | 173.8 | -158.3 | -24.5 | 0 | 0 | 0 | 110.3 | A371 A372 | N369-A371 PolarHBondContact O-N 3.38Å; N369-A372 PolarHBondContact O-N 2.86Å | ||
| 370 | R | 50.9 | Low | 48.2 | Very low | 9 Ų | 9 | 103 Ų | 103 | 3% | 0.034 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -45.5 | -31.4 | -176.3 | -173.3 | -159.6 | 178 | 83.5 | -0.5 | 114.8 | F116 L119 T120 V123 G229 A372 L373 F374 | F116-R370 HydrophobicContact CE2-CB 4.38Å; F116-R370 HydrophobicContact CZ-CB 4.41Å; L119-R370 PolarHBondContact O-NH2 3.27Å; T120-R370 VanDerWaalsContact CB-NH1 3.34Å; T120-R370 PolarHBondContact OG1-NH1 3.14Å; V123-R370 PolarHBondContact O-NH2 3.36Å; G229-R370 WeakPolarHBondContact O-CD 3.3Å; G229-R370 PolarHBondContact O-NE 3.48Å; R370-A372 PolarHBondContact O-N 2.94Å; R370-L373 HydrophobicContact CG-CD1 4.41Å; R370-L373 WeakPolarHBondContact O-CB 3.35Å; R370-L373 PolarHBondContact O-N 3.3Å; R370-F374 HydrophobicContact CG-CE2 4.08Å |
| 371 | A | 53.4 | Low | 47 | Very low | 12 Ų | 12 | 101.2 Ų | 101.2 | 10% | 0.099 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -59 | -16.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | W234 N369 L373 F374 | W234-A371 HydrophobicContact CB-CB 4.45Å; W234-A371 HydrophobicContact CD2-CB 3.4Å; W234-A371 HydrophobicContact CE3-CB 4.05Å; W234-A371 HydrophobicContact CG-CB 3.56Å; W234-A371 HydrophobicContact CH2-CB 4.46Å; W234-A371 HydrophobicContact CZ2-CB 3.9Å; N369-A371 PolarHBondContact O-N 3.38Å; A371-L373 VanDerWaalsContact C-N 3.26Å; A371-L373 PolarHBondContact O-N 2.81Å; A371-F374 PolarHBondContact O-N 3.23Å |
| 372 | A | 54.8 | Low | 46.2 | Very low | 46 Ų | 46 | 101.2 Ų | 101.2 | 38% | 0.38 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -60.6 | -31.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N369 R370 F374 | N369-A372 PolarHBondContact O-N 2.86Å; R370-A372 PolarHBondContact O-N 2.94Å; A372-F374 PolarHBondContact O-N 3.12Å |
| 373 | L | 51.3 | Low | 45.1 | Very low | 64 Ų | 64 | 105.8 Ų | 105.8 | 34% | 0.335 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -67.4 | -23.6 | 177.5 | -77.9 | 163.4 | 0 | 0 | 0 | 113.6 | F355 V362 R370 A371 | F355-L373 HydrophobicContact CD2-CD1 4.24Å; V362-L373 HydrophobicContact CG2-CD1 3.81Å; V362-L373 HydrophobicContact CG2-CD2 3.56Å; V362-L373 HydrophobicContact CG2-CG 3.8Å; R370-L373 HydrophobicContact CG-CD1 4.41Å; R370-L373 WeakPolarHBondContact O-CB 3.35Å; R370-L373 PolarHBondContact O-N 3.3Å; A371-L373 VanDerWaalsContact C-N 3.26Å; A371-L373 PolarHBondContact O-N 2.81Å |
| 374 | F | 53.2 | Low | 44.3 | Very low | 77 Ų | 77 | 106.3 Ų | 106.3 | 34% | 0.338 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -103.5 | 16.3 | -173.5 | -57.1 | -74.5 | 0 | 0 | 0 | 112.6 | D351 R370 A371 A372 H376 | D351-F374 HydrophobicContact CB-CE1 4.45Å; R370-F374 HydrophobicContact CG-CE2 4.08Å; A371-F374 PolarHBondContact O-N 3.23Å; A372-F374 PolarHBondContact O-N 3.12Å; F374-H376 PolarHBondContact O-N 2.87Å |
| 375 | Q | 54 | Low | 43.5 | Very low | 79 Ų | 79 | 107.9 Ų | 107.9 | 37% | 0.369 | 56% | 0.563 | S | S | . | * | trans | -73.2 | 122.5 | 175.8 | -67.8 | -178 | 12.3 | 0 | 0 | 110.5 | W234 Q377 | W234-Q375 HydrophobicContact CH2-CG 4.26Å; Q375-Q377 VanDerWaalsContact C-N 3.29Å; Q375-Q377 PolarHBondContact O-N 3.01Å | ||
| 376 | H | 40.2 | Very low | 42.2 | Very low | 165 Ų | 165 | 109.7 Ų | 109.7 | 76% | 0.764 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -85.2 | 3.7 | 178 | -68.8 | -66.8 | 0 | 0 | 0 | 114.2 | F374 | F374-H376 PolarHBondContact O-N 2.87Š|
| 377 | Q | 37.5 | Very low | 41.9 | Very low | 150 Ų | 150 | 107.9 Ų | 107.9 | 70% | 0.701 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -129.3 | 132.2 | 176.2 | -70.4 | -176 | -1.1 | 0 | 0 | 109.5 | Q375 | Q375-Q377 VanDerWaalsContact C-N 3.29Å; Q375-Q377 PolarHBondContact O-N 3.01Å |
| 378 | P | 35.8 | Very low | 41.3 | Very low | 108 Ų | 108 | 108.5 Ų | 108.5 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 149.3 | 173.7 | 25.4 | -31.8 | 0 | 0 | 0 | 109.7 | R380 | P378-R380 PolarHBondContact O-N 2.83Å; P378-R380 VanDerWaalsContact O-N 3.1Å |
| 379 | P | 40.9 | Very low | 40.2 | Very low | 90 Ų | 90 | 113.4 Ų | 113.4 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 124.2 | 166.4 | 22.2 | -29.8 | 0 | 0 | 0 | 107.4 | S381 | P379-S381 PolarHBondContact O-N 3.32Å; P379-S381 VanDerWaalsContact O-N 3.08Å |
| 380 | R | 35.2 | Very low | 39.7 | Very low | 224 Ų | 224 | 121.3 Ų | 121.3 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -52 | 123.8 | 172.7 | -72.8 | -175.4 | 179.1 | 176.6 | -0.5 | 106.8 | P378 F382 | P378-R380 PolarHBondContact O-N 2.83Å; P378-R380 VanDerWaalsContact O-N 3.1Å; R380-F382 PolarHBondContact O-N 3.45Å |
| 381 | S | 34.1 | Very low | 38.5 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | trans | -45 | 130.8 | -176.7 | 45 | 0 | 0 | 0 | 0 | 110.9 | P379 | P379-S381 PolarHBondContact O-N 3.32Å; P379-S381 VanDerWaalsContact O-N 3.08Å | ||
| 382 | F | 34.9 | Very low | 37.4 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | trans | -45.1 | 133.4 | 169.9 | -74 | -89.3 | 0 | 0 | 0 | 110.5 | R380 I384 | R380-F382 PolarHBondContact O-N 3.45Å; F382-I384 PolarHBondContact O-N 3.09Å | ||
| 383 | P | 33 | Very low | 36.3 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | trans | -59.5 | 129.5 | 158.2 | -11.9 | 26.6 | 0 | 0 | 0 | 107.9 | M385 | P383-M385 PolarHBondContact O-N 3.22Š| ||
| 384 | I | 32.3 | Very low | 35.4 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | trans | -58.9 | 126.6 | 176.5 | -67.7 | 164.9 | 0 | 0 | 0 | 109 | F382 | F382-I384 PolarHBondContact O-N 3.09Š| ||
| 385 | M | 33.8 | Very low | 34.5 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 80% | 0.803 | 75% | 0.747 | S | S | * | * | trans | 15.7 | 104.1 | 161.5 | -64.9 | 179.5 | 74.7 | 0 | 0 | 116.9 | P383 | P383-M385 PolarHBondContact O-N 3.22Š| ||
| 386 | A | 26.6 | Very low | 33.9 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -106 | 124 | 136 | 0 | 0 | 0 | 0 | 0 | 106.6 | E388 | A386-E388 PolarHBondContact O-N 2.7Š| ||
| 387 | T | 37.2 | Very low | 33.9 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | -59 | 121 | 170.3 | 42.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 388 | E | 28.3 | Very low | 34.2 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -162 | 110.4 | 159.6 | -107.8 | 155.9 | -145.1 | 0 | 0 | 109.4 | A386 | A386-E388 PolarHBondContact O-N 2.7Š| ||
| 389 | E | 26.3 | Very low | 34.4 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | 45.9 | 126.7 | 142.2 | -60.1 | -175.6 | 165 | 0 | 0 | 121.1 | G391 | E389-G391 PolarHBondContact O-N 3.24Š| ||
| 390 | E | 39.6 | Very low | 34.5 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 97% | 0.972 | 75% | 0.754 | S | S | * | * | trans | -49.9 | 121.7 | 160.9 | -69.9 | 175 | 141.7 | 0 | 0 | 110.2 | ||||
| 391 | G | 26.9 | Very low | 34.8 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | trans | -155.9 | 98.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E389 | E389-G391 PolarHBondContact O-N 3.24Š| ||
| 392 | D | 29.3 | Very low | 35.1 | Very low | 156 Ų | 156 | 129.3 Ų | 129.3 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | trans | 36.5 | 143.3 | 155.2 | -87.1 | -27.9 | 0 | 0 | 0 | 124.4 | ||||
| 393 | S | 31.9 | Very low | 35.5 | Very low | 81 Ų | 81 | 126 Ų | 126 | 57% | 0.566 | 71% | 0.707 | S | S | * | * | trans | -29.4 | 129.2 | 162.3 | 47.9 | 0 | 0 | 0 | 0 | 115.6 | T395 | S393-T395 PolarHBondContact O-N 3.29Å; S393-T395 PolarHBondContact O-OG1 3.11Å | ||
| 394 | N | 31.9 | Very low | 36 | Very low | 150 Ų | 150 | 121 Ų | 121 | 80% | 0.802 | 67% | 0.674 | S | S | * | * | trans | -68.2 | 72.6 | 159.5 | -86.4 | -0.9 | 0 | 0 | 0 | 110.1 | ||||
| 395 | T | 35.5 | Very low | 36.2 | Very low | 102 Ų | 102 | 121 Ų | 121 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | trans | -78.2 | 134.9 | 148 | 20.4 | 0 | 0 | 0 | 0 | 107.5 | S393 T397 | S393-T395 PolarHBondContact O-N 3.29Å; S393-T395 PolarHBondContact O-OG1 3.11Å; T395-T397 PolarHBondContact O-N 3.18Å | ||
| 396 | I | 39.9 | Very low | 36.2 | Very low | 110 Ų | 110 | 120 Ų | 120 | 56% | 0.564 | 69% | 0.693 | S | S | * | * | trans | -57.9 | 110 | 172.3 | -61.3 | 170.4 | 0 | 0 | 0 | 106.9 | L187 | L187-I396 HydrophobicContact CD2-CD1 3.6Å; L187-I396 HydrophobicContact CG-CD1 4.46Å | ||
| 397 | T | 41.5 | Very low | 36.7 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | trans | -82.1 | 142.8 | 169.4 | 52.8 | 0 | 0 | 0 | 0 | 108.6 | T395 D399 E400 | T395-T397 PolarHBondContact O-N 3.18Å; T397-D399 PolarHBondContact O-N 3.48Å; T397-E400 PolarHBondContact O-N 2.82Å; T397-E400 VanDerWaalsContact O-N 3.08Å | ||
| 398 | E | 43.1 | Very low | 36.7 | Very low | 187 Ų | 187 | 121.6 Ų | 121.6 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -50.9 | -22.1 | -179.7 | -68 | 175.8 | 155.3 | 0 | 0 | 113.2 | ||
| 399 | D | 40.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.4 | -28.1 | 178.9 | -85.9 | -23 | 0 | 0 | 0 | 115.1 | T397 A401 | T397-D399 PolarHBondContact O-N 3.48Å; D399-A401 VanDerWaalsContact C-N 3.3Å; D399-A401 PolarHBondContact O-N 3.17Å |
| 400 | E | 42.4 | Very low | 37.8 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.2 | -22.8 | 178.1 | -76 | -158.6 | 149 | 0 | 0 | 112.7 | T397 L403 | T397-E400 PolarHBondContact O-N 2.82Å; T397-E400 VanDerWaalsContact O-N 3.08Å; E400-L403 PolarHBondContact O-N 3.48Å |
| 401 | A | 41 | Very low | 37.6 | Very low | 28 Ų | 28 | 109 Ų | 109 | 23% | 0.231 | 65% | 0.651 | C | S | . | * | H | α-helix | trans | -69.3 | -33.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M203 D399 L403 V404 | M203-A401 HydrophobicContact CG-CB 4.28Å; D399-A401 VanDerWaalsContact C-N 3.3Å; D399-A401 PolarHBondContact O-N 3.17Å; A401-L403 PolarHBondContact O-N 2.64Å; A401-V404 WeakPolarHBondContact O-CG2 3.49Å; A401-V404 PolarHBondContact O-N 3.34Å |
| 402 | A | 41.7 | Very low | 38.4 | Very low | 74 Ų | 74 | 111.5 Ų | 111.5 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.2 | -23.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V404 | A402-V404 VanDerWaalsContact C-N 3.28Å; A402-V404 PolarHBondContact O-N 3.24Å |
| 403 | L | 42.3 | Very low | 39 | Very low | 118 Ų | 118 | 108.4 Ų | 108.4 | 62% | 0.618 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -78 | -7.9 | -176.5 | -128.7 | 104.9 | 0 | 0 | 0 | 114.3 | E400 A401 L405 | E400-L403 PolarHBondContact O-N 3.48Å; A401-L403 PolarHBondContact O-N 2.64Å; L403-L405 VanDerWaalsContact C-N 3.25Å; L403-L405 PolarHBondContact O-N 2.86Å |
| 404 | V | 44.9 | Very low | 39.5 | Very low | 19 Ų | 19 | 110.5 Ų | 110.5 | 12% | 0.115 | 64% | 0.637 | C | S | . | * | G | 310 helix | trans | -71.3 | -20.2 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | M203 I239 M246 A401 A402 | M203-V404 HydrophobicContact CE-CG1 4.46Å; M203-V404 HydrophobicContact CE-CG2 3.82Å; M203-V404 HydrophobicContact SD-CB 4.39Å; M203-V404 HydrophobicContact SD-CG1 4.35Å; M203-V404 HydrophobicContact SD-CG2 4.29Å; I239-V404 HydrophobicContact CD1-CB 4.5Å; I239-V404 HydrophobicContact CD1-CG2 3.3Å; I239-V404 HydrophobicContact CG1-CG2 4.05Å; M246-V404 HydrophobicContact SD-CG1 4.06Å; A401-V404 WeakPolarHBondContact O-CG2 3.49Å; A401-V404 PolarHBondContact O-N 3.34Å; A402-V404 VanDerWaalsContact C-N 3.28Å; A402-V404 PolarHBondContact O-N 3.24Å |
| 405 | L | 35.4 | Very low | 40.2 | Very low | 161 Ų | 161 | 107.2 Ų | 107.2 | 84% | 0.843 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -100.9 | 5.3 | -171.2 | -68.6 | 173.5 | 0 | 0 | 0 | 115.5 | L403 | L403-L405 VanDerWaalsContact C-N 3.25Å; L403-L405 PolarHBondContact O-N 2.86Å |
| 406 | A | 34.2 | Very low | 40.6 | Very low | 144 Ų | 144 | 107.6 Ų | 107.6 | 100% | 1.19 | 62% | 0.624 | S | S | * | * | trans | -89.9 | 0 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 |
Retrieved 406 of 406 residues in 79.2 ms
(Link to these results)