| 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 | 34.8 | Very low | 27.8 | Very low | 234 Ų | 234 | 149.1 Ų | 149.1 | 100% | 1.153 | 79% | 0.786 | S | S | * | * | 0 | 140.6 | 0 | -78.2 | 161 | 159.5 | 0 | 0 | 108.3 | |||||
| 2 | T | 30.6 | Very low | 27.7 | Very low | 148 Ų | 148 | 154 Ų | 154 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | trans | 42.6 | 101.7 | 161.6 | 53.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 3 | S | 24.8 | Very low | 27.5 | Very low | 96 Ų | 96 | 155.7 Ų | 155.7 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -106.6 | 147.2 | 169.6 | 53.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 4 | N | 28.3 | Very low | 27.8 | Very low | 150 Ų | 150 | 152.4 Ų | 152.4 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | 63.2 | 176.6 | 165.2 | -65.8 | -16.2 | 0 | 0 | 0 | 116.8 | ||||
| 5 | F | 25.5 | Very low | 27.9 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 83% | 0.833 | 73% | 0.726 | S | S | * | * | trans | 69.7 | 136 | -163.2 | -57.8 | -84.5 | 0 | 0 | 0 | 112.7 | ||||
| 6 | D | 31.6 | Very low | 28.5 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | cis | -118.4 | 142.2 | 8.7 | -71.8 | -61.3 | 0 | 0 | 0 | 114.8 | ||||
| 7 | L | 25.7 | Very low | 28.8 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 82% | 0.817 | 66% | 0.664 | S | S | * | * | trans | -99.5 | 165.6 | 142.9 | -83.2 | 82.2 | 0 | 0 | 0 | 107.5 | ||||
| 8 | I | 23.7 | Very low | 29.3 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 81% | 0.805 | 63% | 0.633 | S | S | * | * | trans | 88.8 | 92.3 | 169.4 | -46.8 | 159 | 0 | 0 | 0 | 116.3 | V10 | I8-V10 HydrophobicContact CG2-CG2 4.08Š| ||
| 9 | D | 28 | Very low | 29.7 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | -164.4 | 93.9 | 120.3 | -157.2 | 9.1 | 0 | 0 | 0 | 106.4 | K11 | D9-K11 IonicContact OD1-NZ 3.41Å; D9-K11 PolarHBondContact OD1-NZ 3.14Å; D9-K11 IonicContact OD2-NZ 2.71Å; D9-K11 PolarHBondContact OD2-NZ 3.48Å | |||
| 10 | V | 26.3 | Very low | 29.8 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | 56.6 | 148.3 | 84.3 | -163.7 | 0 | 0 | 0 | 0 | 114 | I8 | I8-V10 HydrophobicContact CG2-CG2 4.08Š| |||
| 11 | K | 26.1 | Very low | 30.2 | Very low | 137 Ų | 137 | 114.1 Ų | 114.1 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | trans | 104.4 | 72.2 | 164.6 | -48.5 | -177.4 | -169.2 | 86.3 | 0 | 120.4 | D9 R13 | D9-K11 IonicContact OD1-NZ 3.41Å; D9-K11 PolarHBondContact OD1-NZ 3.14Å; D9-K11 IonicContact OD2-NZ 2.71Å; D9-K11 PolarHBondContact OD2-NZ 3.48Å; K11-R13 PolarHBondContact O-N 3.34Å | ||
| 12 | W | 26.6 | Very low | 30.5 | Very low | 208 Ų | 208 | 103.4 Ų | 103.4 | 79% | 0.788 | 51% | 0.509 | S | S | * | . | 63.1 | 41.2 | 120.5 | -66 | 111.5 | 0 | 0 | 0 | 122 | W15 | W12-W15 HydrophobicContact CZ3-CZ2 4.38Š| |||
| 13 | R | 25.4 | Very low | 30.5 | Very low | 176 Ų | 176 | 96.6 Ų | 96.6 | 66% | 0.664 | 47% | 0.468 | S | S | * | . | trans | -136.2 | 36.3 | -175.8 | -76.1 | -173.3 | 161.1 | -138.4 | -3.2 | 118.9 | K11 N271 | K11-R13 PolarHBondContact O-N 3.34Å; R13-N271 PolarHBondContact NH1-OD1 2.82Å; R13-N271 VanDerWaalsContact NH1-OD1 3.12Å | ||
| 14 | K | 31.9 | Very low | 30.9 | Very low | 109 Ų | 109 | 92.3 Ų | 92.3 | 47% | 0.474 | 44% | 0.438 | S | S | . | . | trans | -145.1 | 82.4 | -177.8 | -64.2 | -176.5 | 179.5 | -176.7 | 0 | 114.6 | ||||
| 15 | W | 29.4 | Very low | 31.3 | Very low | 82 Ų | 82 | 85.3 Ų | 85.3 | 31% | 0.311 | 40% | 0.401 | S | S | . | . | trans | -131.8 | -22.3 | -170.6 | -70.4 | 126.5 | 0 | 0 | 0 | 118.6 | W12 E288 | W12-W15 HydrophobicContact CZ3-CZ2 4.38Å; W15-E288 HydrophobicContact CE3-CG 3.69Å; W15-E288 VanDerWaalsContact CH2-CD 3.48Å; W15-E288 HydrophobicContact CH2-CG 4.11Å; W15-E288 HydrophobicContact CZ3-CG 3.47Å; W15-E288 VanDerWaalsContact CZ3-CG 3.47Å | ||
| 16 | I | 36.6 | Very low | 31.8 | Very low | 69 Ų | 69 | 76.3 Ų | 76.3 | 35% | 0.354 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -85.1 | -23.4 | -149.4 | -71.3 | 174.1 | 0 | 0 | 0 | 115.2 | L19 L20 F272 | I16-L19 CarbonylContact O-C 3.39Å; I16-L19 WeakPolarHBondContact O-CA 3.3Å; I16-L19 WeakPolarHBondContact O-CB 3.45Å; I16-L19 PolarHBondContact O-N 2.84Å; I16-L20 HydrophobicContact CG2-CD1 3.62Å; I16-L20 HydrophobicContact CG2-CD2 4.21Å; I16-L20 HydrophobicContact CG2-CG 3.62Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.88Å; I16-F272 HydrophobicContact CD1-CD2 4.19Å; I16-F272 HydrophobicContact CD1-CG 4.33Å |
| 17 | C | 33.5 | Very low | 31.7 | Very low | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.054 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -84.2 | -42.3 | -151.6 | -68.4 | 0 | 0 | 0 | 0 | 116.6 | L19 L20 L265 V519 P520 | C17-L19 PolarHBondContact O-N 2.72Å; C17-L20 PolarHBondContact O-N 3.42Å; C17-L265 CarbonylContact C-O 3.49Å; C17-L265 VanDerWaalsContact CA-O 3.29Å; C17-L265 WeakPolarHBondContact CA-O 3.44Å; C17-L265 VanDerWaalsContact CB-C 3.41Å; C17-L265 WeakPolarHBondContact CB-O 3.48Å; C17-V519 HydrophobicContact CB-CB 4.35Å; C17-V519 HydrophobicContact CB-CG1 3.62Å; C17-V519 HydrophobicContact CB-CG2 4.25Å; C17-V519 WeakPolarHBondContact O-CG2 3.16Å; C17-P520 WeakPolarHBondContact SG-CD 3.23Å |
| 18 | I | 39.2 | Very low | 32.1 | Very low | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.8 | -34.5 | 164.8 | -79.8 | -176.3 | 0 | 0 | 0 | 109 | L20 F21 I22 L265 I266 L291 | I18-L20 VanDerWaalsContact C-N 3.26Å; I18-L20 PolarHBondContact O-N 3.11Å; I18-F21 PolarHBondContact O-N 2.76Å; I18-I22 HydrophobicContact CG2-CD1 3.38Å; I18-I22 HydrophobicContact CG2-CG1 4.04Å; I18-I22 WeakPolarHBondContact O-CB 3.28Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.18Å; I18-I22 PolarHBondContact O-N 3Å; I18-L265 HydrophobicContact CG1-CB 4.03Å; I18-L265 PolarHBondContact N-O 3.33Å; I18-I266 HydrophobicContact CB-CD1 4.02Å; I18-I266 HydrophobicContact CB-CG1 3.89Å; I18-I266 HydrophobicContact CD1-CD1 3.93Å; I18-I266 HydrophobicContact CD1-CG1 4.03Å; I18-I266 HydrophobicContact CG1-CD1 4.15Å; I18-I266 HydrophobicContact CG1-CG1 3.84Å; I18-L291 HydrophobicContact CG2-CD1 3.76Å; I18-L291 HydrophobicContact CG2-CD2 4.07Å |
| 19 | L | 35.8 | Very low | 32.6 | Very low | 22 Ų | 22 | 56.7 Ų | 56.7 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.3 | -35.9 | 177.3 | -119.7 | 164.7 | 0 | 0 | 0 | 112.8 | I16 C17 A23 A284 L287 | I16-L19 CarbonylContact O-C 3.39Å; I16-L19 WeakPolarHBondContact O-CA 3.3Å; I16-L19 WeakPolarHBondContact O-CB 3.45Å; I16-L19 PolarHBondContact O-N 2.84Å; C17-L19 PolarHBondContact O-N 2.72Å; L19-A23 WeakPolarHBondContact O-CB 3.46Å; L19-A23 PolarHBondContact O-N 3.36Å; L19-A284 HydrophobicContact CD1-CB 3.8Å; L19-A284 HydrophobicContact CD2-CB 3.88Å; L19-L287 HydrophobicContact CD2-CB 4.23Å; L19-L287 HydrophobicContact CD2-CD2 3.48Å; L19-L287 VanDerWaalsContact CD2-CD2 3.48Å; L19-L287 HydrophobicContact CD2-CG 4.45Å; L19-L287 HydrophobicContact CG-CD2 3.98Å |
| 20 | L | 32.8 | Very low | 32.8 | Very low | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.8 | -52.6 | 175.3 | -72 | -176.6 | 0 | 0 | 0 | 112.7 | I16 C17 I18 I22 A23 A24 I514 F515 V519 | I16-L20 HydrophobicContact CG2-CD1 3.62Å; I16-L20 HydrophobicContact CG2-CD2 4.21Å; I16-L20 HydrophobicContact CG2-CG 3.62Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 2.88Å; C17-L20 PolarHBondContact O-N 3.42Å; I18-L20 VanDerWaalsContact C-N 3.26Å; I18-L20 PolarHBondContact O-N 3.11Å; L20-I22 PolarHBondContact O-N 3.27Å; L20-A23 PolarHBondContact O-N 3.16Å; L20-A24 PolarHBondContact O-N 3.09Å; L20-I514 HydrophobicContact CD2-CB 4.41Å; L20-I514 HydrophobicContact CD2-CG2 3.22Å; L20-I514 WeakPolarHBondContact CD2-O 3.32Å; L20-F515 HydrophobicContact CB-CE1 3.96Å; L20-F515 HydrophobicContact CD2-CE1 4.3Å; L20-F515 HydrophobicContact CD2-CZ 4.44Å; L20-F515 WeakPolarHBondContact O-CE1 3.47Å; L20-F515 WeakPolarHBondContact O-CZ 3.36Å; L20-V519 HydrophobicContact CB-CG2 3.43Å; L20-V519 VanDerWaalsContact CB-CG2 3.43Å; L20-V519 HydrophobicContact CD1-CG2 3.51Å; L20-V519 HydrophobicContact CG-CG2 3.97Å |
| 21 | F | 36.9 | Very low | 33.2 | Very low | 50 Ų | 50 | 46.1 Ų | 46.1 | 22% | 0.219 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.1 | -36.6 | -180 | -163 | -86.3 | 0 | 0 | 0 | 111.2 | I18 L25 V358 L465 L472 | I18-F21 PolarHBondContact O-N 2.76Å; F21-L25 HydrophobicContact CD1-CD1 3.87Å; F21-L25 HydrophobicContact CE1-CD1 3.76Å; F21-L25 VanDerWaalsContact O-CD1 3.25Å; F21-L25 WeakPolarHBondContact O-CD1 3.49Å; F21-L25 WeakPolarHBondContact O-CG 3.38Å; F21-V358 HydrophobicContact CE1-CG2 4.04Å; F21-L465 HydrophobicContact CD2-CD1 4.19Å; F21-L465 HydrophobicContact CE2-CD1 3.5Å; F21-L465 HydrophobicContact CZ-CD1 4.21Å; F21-L472 HydrophobicContact CD2-CD2 4.05Å; F21-L472 HydrophobicContact CE2-CD2 4.48Å |
| 22 | I | 41.7 | Very low | 33.5 | Very low | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -81.1 | -35.6 | 179.5 | -57.5 | -175 | 0 | 0 | 0 | 112.3 | I18 L20 A24 L25 S26 L287 L291 L361 L365 | I18-I22 HydrophobicContact CG2-CD1 3.38Å; I18-I22 HydrophobicContact CG2-CG1 4.04Å; I18-I22 WeakPolarHBondContact O-CB 3.28Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.18Å; I18-I22 PolarHBondContact O-N 3Å; L20-I22 PolarHBondContact O-N 3.27Å; I22-A24 VanDerWaalsContact C-N 3.26Å; I22-A24 PolarHBondContact O-N 2.99Å; I22-L25 CarbonylContact O-C 3.49Å; I22-L25 PolarHBondContact O-N 3.41Å; I22-S26 WeakPolarHBondContact O-CB 3.33Å; I22-S26 PolarHBondContact O-N 3.45Å; I22-S26 PolarHBondContact O-OG 3.01Å; I22-L287 HydrophobicContact CB-CD2 3.98Å; I22-L287 HydrophobicContact CG2-CD1 3.91Å; I22-L287 HydrophobicContact CG2-CD2 3.69Å; I22-L287 HydrophobicContact CG2-CG 4.36Å; I22-L291 HydrophobicContact CD1-CD1 4.5Å; I22-L291 HydrophobicContact CD1-CD2 3.63Å; I22-L361 HydrophobicContact CB-CD2 4.33Å; I22-L361 HydrophobicContact CD1-CD1 3.93Å; I22-L361 HydrophobicContact CD1-CD2 3.54Å; I22-L361 HydrophobicContact CD1-CG 4.36Å; I22-L361 HydrophobicContact CG1-CD2 3.57Å; I22-L361 HydrophobicContact CG2-CD2 4Å; I22-L365 HydrophobicContact CG2-CD1 3.78Å |
| 23 | A | 31.7 | Very low | 33.8 | Very low | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.7 | -23 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L19 L20 L25 G27 M280 | L19-A23 WeakPolarHBondContact O-CB 3.46Å; L19-A23 PolarHBondContact O-N 3.36Å; L20-A23 PolarHBondContact O-N 3.16Å; A23-L25 PolarHBondContact O-N 3.41Å; A23-G27 VanDerWaalsContact O-CA 3.31Å; A23-G27 WeakPolarHBondContact O-CA 3.35Å; A23-G27 PolarHBondContact O-N 2.77Å; A23-M280 HydrophobicContact CB-CE 4.28Å |
| 24 | A | 32.8 | Very low | 34.1 | Very low | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -41.1 | -45.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L20 I22 V463 V476 F515 | L20-A24 PolarHBondContact O-N 3.09Å; I22-A24 VanDerWaalsContact C-N 3.26Å; I22-A24 PolarHBondContact O-N 2.99Å; A24-V463 HydrophobicContact CB-CG1 4.07Å; A24-V463 HydrophobicContact CB-CG2 4.05Å; A24-V476 HydrophobicContact CB-CG2 3.89Å; A24-F515 HydrophobicContact CB-CD2 4.07Å; A24-F515 HydrophobicContact CB-CE1 3.87Å; A24-F515 HydrophobicContact CB-CE2 3.21Å; A24-F515 HydrophobicContact CB-CZ 3.13Å |
| 25 | L | 36.1 | Very low | 34.2 | Very low | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -117.4 | -11.6 | -155.9 | -54.1 | 167.4 | 0 | 0 | 0 | 110.9 | F21 I22 A23 V358 L362 V424 I431 L433 | F21-L25 HydrophobicContact CD1-CD1 3.87Å; F21-L25 HydrophobicContact CE1-CD1 3.76Å; F21-L25 VanDerWaalsContact O-CD1 3.25Å; F21-L25 WeakPolarHBondContact O-CD1 3.49Å; F21-L25 WeakPolarHBondContact O-CG 3.38Å; I22-L25 CarbonylContact O-C 3.49Å; I22-L25 PolarHBondContact O-N 3.41Å; A23-L25 PolarHBondContact O-N 3.41Å; L25-V358 HydrophobicContact CB-CG1 4.29Å; L25-V358 HydrophobicContact CD1-CB 4.34Å; L25-V358 HydrophobicContact CD1-CG1 3.67Å; L25-V358 HydrophobicContact CD1-CG2 3.68Å; L25-V358 HydrophobicContact CD2-CG1 4.42Å; L25-V358 HydrophobicContact CG-CG1 4.32Å; L25-L362 HydrophobicContact CB-CD1 4.3Å; L25-L362 HydrophobicContact CB-CD2 4.28Å; L25-L362 WeakPolarHBondContact O-CD2 3.46Å; L25-V424 HydrophobicContact CB-CG2 4.44Å; L25-V424 HydrophobicContact CD2-CG1 4.23Å; L25-V424 HydrophobicContact CD2-CG2 4.04Å; L25-I431 HydrophobicContact CD2-CG2 3.89Å; L25-L433 WeakPolarHBondContact O-CD1 3.07Å |
| 26 | S | 35.1 | Very low | 34.3 | Very low | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -124.6 | 8.2 | 177.1 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | I22 A28 F283 | I22-S26 WeakPolarHBondContact O-CB 3.33Å; I22-S26 PolarHBondContact O-N 3.45Å; I22-S26 PolarHBondContact O-OG 3.01Å; S26-A28 PolarHBondContact O-N 3.31Å; S26-F283 WeakPolarHBondContact O-CZ 3.22Å; S26-F283 WeakPolarHBondContact OG-CE1 3.49Å; S26-F283 WeakPolarHBondContact OG-CZ 3.45Å |
| 27 | G | 30.7 | Very low | 34 | Very low | 12 Ų | 12 | 59.5 Ų | 59.5 | 12% | 0.124 | 26% | 0.26 | C | S | . | . | trans | -73.3 | 41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A23 | A23-G27 VanDerWaalsContact O-CA 3.31Å; A23-G27 WeakPolarHBondContact O-CA 3.35Å; A23-G27 PolarHBondContact O-N 2.77Å | ||
| 28 | A | 33.8 | Very low | 34 | Very low | 3 Ų | 3 | 65.3 Ų | 65.3 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -154.5 | 156.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | S26 F435 I459 | S26-A28 PolarHBondContact O-N 3.31Å; A28-F435 HydrophobicContact CB-CB 3.61Å; A28-F435 HydrophobicContact CB-CD1 3.72Å; A28-F435 HydrophobicContact CB-CD2 3.47Å; A28-F435 VanDerWaalsContact CB-CD2 3.47Å; A28-F435 HydrophobicContact CB-CE1 4.39Å; A28-F435 HydrophobicContact CB-CE2 4.12Å; A28-F435 HydrophobicContact CB-CG 3.26Å; A28-F435 WeakPolarHBondContact O-CE2 3.44Å; A28-F435 WeakPolarHBondContact O-CZ 2.34Å; A28-I459 HydrophobicContact CB-CB 4.27Å; A28-I459 HydrophobicContact CB-CD1 3.83Å; A28-I459 HydrophobicContact CB-CG2 4.28Å |
| 29 | T | 35 | Very low | 33.7 | Very low | 33 Ų | 33 | 70.5 Ų | 70.5 | 20% | 0.202 | 32% | 0.318 | C | S | . | . | trans | -155.2 | 149.9 | -151 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | F373 F435 A437 | T29-F373 VanDerWaalsContact CB-CE1 3.49Å; T29-F373 VanDerWaalsContact CB-CZ 3.43Å; T29-F373 HydrophobicContact CG2-CE1 3.29Å; T29-F373 HydrophobicContact CG2-CZ 3.28Å; T29-F435 VanDerWaalsContact CA-CZ 3.43Å; T29-F435 WeakPolarHBondContact O-CE1 3.33Å; T29-A437 VanDerWaalsContact C-CB 3.48Å; T29-A437 WeakPolarHBondContact O-CB 3.24Å | ||
| 30 | A | 31.8 | Very low | 33.5 | Very low | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | -163.9 | 150.7 | -54 | 0 | 0 | 0 | 0 | 0 | 111.3 | L371 V416 A417 V418 F435 A437 A438 | A30-L371 WeakPolarHBondContact CB-O 3.46Å; A30-V416 VanDerWaalsContact CB-C 3.41Å; A30-V416 HydrophobicContact CB-CB 3.91Å; A30-V416 CarbonylContact O-C 3.6Å; A30-V416 WeakPolarHBondContact O-CA 3.36Å; A30-V416 WeakPolarHBondContact O-CB 3.26Å; A30-V416 WeakPolarHBondContact O-CG1 3.02Å; A30-A417 PolarHBondContact O-N 2.92Å; A30-A417 VanDerWaalsContact O-N 3.12Å; A30-V418 HydrophobicContact CB-CB 4.43Å; A30-V418 HydrophobicContact CB-CG2 3.71Å; A30-F435 HydrophobicContact CB-CE1 4.43Å; A30-F435 HydrophobicContact CB-CZ 4Å; A30-A437 VanDerWaalsContact C-CA 3.46Å; A30-A438 VanDerWaalsContact C-N 3.25Å; A30-A438 CarbonylContact O-C 3.52Å; A30-A438 PolarHBondContact O-N 2.67Å; A30-A438 VanDerWaalsContact O-N 3.08Å | |||
| 31 | A | 34.1 | Very low | 33.3 | Very low | 4 Ų | 4 | 86.3 Ų | 86.3 | 3% | 0.033 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | 141.3 | 132.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 127.2 | A417 V418 N419 A438 | A31-A417 WeakPolarHBondContact CA-O 3.25Å; A31-A417 HydrophobicContact CB-CB 3.89Å; A31-V418 CarbonylContact C-O 3.5Å; A31-V418 VanDerWaalsContact CA-C 3.46Å; A31-V418 VanDerWaalsContact N-C 3.32Å; A31-N419 PolarHBondContact O-ND2 3.41Å; A31-N419 PolarHBondContact O-OD1 3.24Å; A31-N419 VanDerWaalsContact O-OD1 3.11Å; A31-A438 WeakPolarHBondContact CB-O 3.42Å; A31-A438 VanDerWaalsContact N-N 3.11Å; A31-A438 WeakPolarHBondContact O-CB 3.11Å; A31-A438 PolarHBondContact O-N 2.85Å; A31-A438 VanDerWaalsContact O-N 3.11Å |
| 32 | R | 32.8 | Very low | 33.1 | Very low | 140 Ų | 140 | 91 Ų | 91 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | trans | -93 | 175 | 166.5 | -90.1 | -164.3 | 170.1 | -179.8 | -3.5 | 114 | Y366 V418 N419 R454 | R32-Y366 PolarHBondContact NE-OH 3.29Å; R32-Y366 PolarHBondContact NH1-OH 3.16Å; R32-Y366 PolarHBondContact NH2-OH 3.19Å; R32-V418 WeakPolarHBondContact CG-O 3.44Å; R32-V418 PolarHBondContact N-O 2.97Å; R32-V418 VanDerWaalsContact N-O 3.16Å; R32-N419 VanDerWaalsContact CG-O 3.23Å; R32-N419 WeakPolarHBondContact CG-O 3.36Å; R32-N419 PolarHBondContact NE-O 3.18Å; R32-N419 VanDerWaalsContact NE-O 3.16Å; R32-R454 PolarHBondContact O-NH2 3.46Å | ||
| 33 | R | 32.9 | Very low | 32.4 | Very low | 199 Ų | 199 | 95.7 Ų | 95.7 | 75% | 0.751 | 44% | 0.439 | S | S | * | . | cis | -176.3 | 131.2 | -38.4 | -138.4 | -172.6 | -174.6 | -163 | 1 | 109.8 | ||||
| 34 | R | 32.3 | Very low | 32.4 | Very low | 224 Ų | 224 | 105.5 Ų | 105.5 | 85% | 0.845 | 48% | 0.476 | S | S | * | . | trans | 180 | 143.9 | 155.4 | -94.6 | 175.3 | -173.1 | -170.3 | 2.7 | 103.6 | ||||
| 35 | R | 32.8 | Very low | 32.2 | Very low | 208 Ų | 208 | 110.3 Ų | 110.3 | 79% | 0.785 | 51% | 0.509 | S | S | * | . | cis | -142.4 | 176.8 | -10.1 | -99.1 | 171.1 | 171.2 | 166 | -6 | 104.5 | ||||
| 36 | T | 32.4 | Very low | 32 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 67% | 0.669 | 55% | 0.552 | S | S | * | * | cis | -158.8 | 176.8 | 12.2 | -13.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 37 | K | 30.9 | Very low | 31.9 | Very low | 182 Ų | 182 | 127.2 Ų | 127.2 | 79% | 0.791 | 59% | 0.59 | S | S | * | * | trans | 47.7 | 125 | 149.3 | -69.5 | 177.5 | -178.4 | -177.6 | 0 | 118.4 | ||||
| 38 | N | 33.1 | Very low | 31.9 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | cis | -155.5 | 165.6 | 29.3 | -95.6 | -17.5 | 0 | 0 | 0 | 112.6 | ||||
| 39 | N | 31.8 | Very low | 31.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 69% | 0.69 | 66% | 0.66 | S | S | * | * | trans | 22 | 121.7 | 146.3 | -49.9 | -8.2 | 0 | 0 | 0 | 119.5 | ||||
| 40 | Y | 31.2 | Very low | 31.5 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | -179.1 | 127.1 | 100.3 | -111.8 | -92.1 | 0 | 0 | 0 | 110.3 | |||||
| 41 | F | 29.2 | Very low | 31.5 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | trans | 51.5 | 145.6 | 152.9 | -80.3 | -126.4 | 0 | 0 | 0 | 119.6 | ||||
| 42 | Q | 32.5 | Very low | 31.3 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | cis | -149.5 | 147.1 | -0.9 | -150.5 | 170.9 | 17.9 | 0 | 0 | 108.2 | ||||
| 43 | S | 28.2 | Very low | 31.4 | Very low | 110 Ų | 110 | 159.8 Ų | 159.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -94.2 | 123 | -176.1 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 44 | Y | 31.9 | Very low | 31 | Very low | 211 Ų | 211 | 154.8 Ų | 154.8 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -119.7 | 103.4 | 159.6 | -87.7 | -80.8 | 0 | 0 | 0 | 110.2 | ||||
| 45 | S | 27.3 | Very low | 30.8 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -91.2 | 126.2 | 163.8 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 46 | M | 32.4 | Very low | 30.6 | Very low | 183 Ų | 183 | 147 Ų | 147 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -133.2 | 148.3 | 159.3 | -85.4 | -159.2 | 164.1 | 0 | 0 | 111.1 | ||||
| 47 | H | 33.8 | Very low | 30.6 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -80.7 | 165 | -166.7 | -79.7 | -96.1 | 0 | 0 | 0 | 113.7 | T49 | H47-T49 PolarHBondContact O-N 2.88Å; H47-T49 VanDerWaalsContact O-N 3.14Å | ||
| 48 | T | 29.8 | Very low | 31.3 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | trans | -66.4 | 100.1 | 171 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 49 | T | 32.6 | Very low | 32.9 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -133.2 | 137.9 | 155.6 | 44.6 | 0 | 0 | 0 | 0 | 109.2 | H47 P51 | H47-T49 PolarHBondContact O-N 2.88Å; H47-T49 VanDerWaalsContact O-N 3.14Å; T49-P51 VanDerWaalsContact O-CD 3.3Å; T49-P51 WeakPolarHBondContact O-CD 3.06Å | ||
| 50 | R | 28 | Very low | 35.3 | Very low | 248 Ų | 248 | 142.7 Ų | 142.7 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 119.3 | 170.7 | -74.6 | 177.2 | 173 | 168.2 | -3.6 | 108.2 | ||
| 51 | P | 31.2 | Very low | 38.1 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 129.2 | 165.2 | -9 | 26.8 | 0 | 0 | 0 | 108.3 | T49 F53 | T49-P51 VanDerWaalsContact O-CD 3.3Å; T49-P51 WeakPolarHBondContact O-CD 3.06Å; P51-F53 PolarHBondContact O-N 3.5Å |
| 52 | A | 29.5 | Very low | 41.2 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 122.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | S54 | A52-S54 PolarHBondContact O-N 3.44Š|
| 53 | F | 34.9 | Very low | 44 | Very low | 167 Ų | 167 | 120.9 Ų | 120.9 | 73% | 0.732 | 66% | 0.658 | S | S | * | * | trans | -73.1 | 102.5 | -176.5 | -117.3 | -112.4 | 0 | 0 | 0 | 110.2 | P51 Q57 | P51-F53 PolarHBondContact O-N 3.5Å; F53-Q57 VanDerWaalsContact CE1-CD 3.45Å; F53-Q57 HydrophobicContact CE1-CG 4.12Å; F53-Q57 VanDerWaalsContact CE1-OE1 3.3Å; F53-Q57 VanDerWaalsContact CZ-CD 3.41Å; F53-Q57 HydrophobicContact CZ-CG 4.48Å; F53-Q57 VanDerWaalsContact CZ-NE2 3.29Å; F53-Q57 VanDerWaalsContact CZ-OE1 3.24Å | ||
| 54 | S | 25.2 | Very low | 47.1 | Very low | 95 Ų | 95 | 116.5 Ų | 116.5 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | trans | -142.2 | 148.6 | 170.9 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | A52 | A52-S54 PolarHBondContact O-N 3.44Š| ||
| 55 | S | 27.9 | Very low | 50 | Low | 106 Ų | 106 | 107.7 Ų | 107.7 | 74% | 0.741 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 58.9 | 118.5 | -177.9 | 60.1 | 0 | 0 | 0 | 0 | 117.7 | ||
| 56 | I | 28.8 | Very low | 53.1 | Low | 163 Ų | 163 | 104.8 Ų | 104.8 | 84% | 0.836 | 57% | 0.569 | S | S | * | * | trans | 47.2 | 80.6 | 152.1 | -41.1 | 176.2 | 0 | 0 | 0 | 116 | ||||
| 57 | Q | 33.5 | Very low | 56.1 | Low | 125 Ų | 125 | 96.7 Ų | 96.7 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 141.2 | 147.9 | -68.3 | -158.6 | -15.8 | 0 | 0 | 109.4 | F53 | F53-Q57 VanDerWaalsContact CE1-CD 3.45Å; F53-Q57 HydrophobicContact CE1-CG 4.12Å; F53-Q57 VanDerWaalsContact CE1-OE1 3.3Å; F53-Q57 VanDerWaalsContact CZ-CD 3.41Å; F53-Q57 HydrophobicContact CZ-CG 4.48Å; F53-Q57 VanDerWaalsContact CZ-NE2 3.29Å; F53-Q57 VanDerWaalsContact CZ-OE1 3.24Å |
| 58 | H | 43.7 | Very low | 59 | Low | 170 Ų | 170 | 90 Ų | 90 | 79% | 0.787 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 141 | 165.2 | -65.3 | -73.8 | 0 | 0 | 0 | 109.2 | V60 | H58-V60 PolarHBondContact O-N 2.93Š|
| 59 | P | 67.1 | Low | 62.2 | Low | 94 Ų | 94 | 83.3 Ų | 83.3 | 61% | 0.61 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 124.3 | -177.6 | 23.7 | -33.3 | 0 | 0 | 0 | 110.2 | P61 | P59-P61 WeakPolarHBondContact O-CD 3.21Š|
| 60 | V | 82 | Confident | 65.3 | Low | 70 Ų | 70 | 79.3 Ų | 79.3 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 121.8 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | H58 V301 | H58-V60 PolarHBondContact O-N 2.93Å; V60-V301 WeakPolarHBondContact O-CG2 3.45Å |
| 61 | P | 91.6 | Very high | 68.5 | Low | 32 Ų | 32 | 70.6 Ų | 70.6 | 21% | 0.208 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 149.7 | -174.8 | -27 | 34 | 0 | 0 | 0 | 112.4 | P59 G63 R335 H336 T337 | P59-P61 WeakPolarHBondContact O-CD 3.21Å; P61-G63 PolarHBondContact O-N 3.39Å; P61-R335 HydrophobicContact CB-CG 4.17Å; P61-R335 HydrophobicContact CG-CG 4.48Å; P61-R335 WeakPolarHBondContact O-CD 3.3Å; P61-R335 PolarHBondContact O-NH1 3.39Å; P61-H336 WeakPolarHBondContact CB-O 3.18Å; P61-T337 HydrophobicContact CB-CG2 4.44Å; P61-T337 HydrophobicContact CG-CG2 4.12Å |
| 62 | A | 93 | Very high | 71.6 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 136.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L65 V301 P318 N354 | A62-L65 HydrophobicContact CB-CB 4.08Å; A62-L65 HydrophobicContact CB-CD1 4.02Å; A62-V301 HydrophobicContact CB-CG2 4.47Å; A62-P318 HydrophobicContact CB-CB 3.79Å; A62-N354 PolarHBondContact O-ND2 2.98Å |
| 63 | G | 91.8 | Very high | 74.7 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -81.5 | -40.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | P61 L319 N320 N354 V357 | P61-G63 PolarHBondContact O-N 3.39Å; G63-L319 PolarHBondContact N-O 3.04Å; G63-N320 VanDerWaalsContact CA-O 3.28Å; G63-N320 WeakPolarHBondContact CA-O 3.26Å; G63-N320 PolarHBondContact N-O 3.34Å; G63-N354 WeakPolarHBondContact O-CB 3.22Å; G63-N354 PolarHBondContact O-N 3.23Å; G63-V357 WeakPolarHBondContact O-CG2 3.17Å |
| 64 | I | 92.6 | Very high | 77.6 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 131.6 | 169.5 | -61.9 | 172.1 | 0 | 0 | 0 | 107.7 | L66 I296 F298 L319 I351 G352 V357 | I64-L66 HydrophobicContact CG2-CD2 4.03Å; I64-L66 HydrophobicContact CG2-CG 4.49Å; I64-I296 HydrophobicContact CD1-CD1 3.92Å; I64-F298 HydrophobicContact CD1-CE1 3.97Å; I64-L319 HydrophobicContact CB-CB 4.27Å; I64-L319 HydrophobicContact CG2-CD1 4.35Å; I64-L319 PolarHBondContact N-O 3.32Å; I64-L319 WeakPolarHBondContact O-CA 3.31Å; I64-L319 WeakPolarHBondContact O-CB 3.45Å; I64-L319 PolarHBondContact O-N 2.9Å; I64-I351 HydrophobicContact CG2-CG2 4.23Å; I64-G352 CarbonylContact C-O 3.55Å; I64-G352 WeakPolarHBondContact CA-O 3.5Å; I64-V357 HydrophobicContact CG1-CG2 3.91Å |
| 65 | L | 92.8 | Very high | 80.9 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 106 | -177.2 | -171.5 | 55.5 | 0 | 0 | 0 | 109.9 | A62 N316 P318 G352 W542 | A62-L65 HydrophobicContact CB-CB 4.08Å; A62-L65 HydrophobicContact CB-CD1 4.02Å; L65-N316 WeakPolarHBondContact CD1-OD1 3.45Å; L65-P318 HydrophobicContact CD1-CB 3.71Å; L65-G352 PolarHBondContact N-O 3.41Å; L65-G352 PolarHBondContact O-N 3.22Å; L65-W542 HydrophobicContact CB-CH2 4.43Å; L65-W542 HydrophobicContact CD2-CH2 3.77Å; L65-W542 HydrophobicContact CD2-CZ2 4.31Å; L65-W542 HydrophobicContact CG-CH2 4.16Å |
| 66 | L | 93.5 | Very high | 84 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.1 | 175.8 | -50.7 | 178.4 | 0 | 0 | 0 | 109 | I64 I317 L319 Y350 I351 | I64-L66 HydrophobicContact CG2-CD2 4.03Å; I64-L66 HydrophobicContact CG2-CG 4.49Å; L66-I317 HydrophobicContact CB-CB 4.23Å; L66-I317 PolarHBondContact N-O 2.87Å; L66-I317 PolarHBondContact O-N 3.35Å; L66-L319 HydrophobicContact CD1-CD1 3.84Å; L66-L319 HydrophobicContact CG-CD1 4.09Å; L66-Y350 CarbonylContact C-O 3.56Å; L66-Y350 WeakPolarHBondContact CA-O 3.37Å; L66-I351 HydrophobicContact CD2-CB 4.28Å; L66-I351 HydrophobicContact CD2-CD1 4.37Å; L66-I351 HydrophobicContact CD2-CG1 3.87Å; L66-I351 HydrophobicContact CD2-CG2 3.9Å |
| 67 | R | 95.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.4 | 168.5 | -60.9 | 169.9 | 171.1 | 168.7 | -7 | 110 | F314 I315 N316 D340 M343 L349 Y350 | R67-F314 HydrophobicContact CB-CB 4.32Å; R67-F314 HydrophobicContact CB-CD2 3.75Å; R67-F314 HydrophobicContact CB-CE2 4.42Å; R67-F314 HydrophobicContact CB-CG 4.23Å; R67-F314 VanDerWaalsContact CD-CE2 3.43Å; R67-F314 HydrophobicContact CG-CD2 3.6Å; R67-F314 HydrophobicContact CG-CE2 3.81Å; R67-F314 HydrophobicContact CG-CG 4.49Å; R67-I315 VanDerWaalsContact CA-O 3.26Å; R67-I315 WeakPolarHBondContact CA-O 3.45Å; R67-N316 HydrophobicContact CG-CB 4.47Å; R67-N316 WeakPolarHBondContact CG-OD1 3.27Å; R67-N316 PolarHBondContact NE-OD1 2.89Å; R67-D340 IonicContact CZ-OD1 3.51Å; R67-D340 IonicContact CZ-OD2 2.68Å; R67-D340 IonicContact NH1-OD1 2.76Å; R67-D340 PolarHBondContact NH1-OD1 3.08Å; R67-D340 IonicContact NH1-OD2 2.64Å; R67-D340 PolarHBondContact NH1-OD2 3.24Å; R67-D340 VanDerWaalsContact NH2-CG 3.33Å; R67-D340 IonicContact NH2-OD1 3.42Å; R67-D340 PolarHBondContact NH2-OD1 3.35Å; R67-D340 IonicContact NH2-OD2 3.22Å; R67-D340 PolarHBondContact NH2-OD2 3.18Å; R67-M343 HydrophobicContact CB-CE 4.49Å; R67-L349 WeakPolarHBondContact O-CA 3.5Å; R67-Y350 PolarHBondContact N-O 3.38Å; R67-Y350 PolarHBondContact O-N 2.72Å |
| 68 | I | 95.2 | Very high | 90 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.2 | 175.1 | -54.5 | 172.4 | 0 | 0 | 0 | 107.3 | F73 F314 I315 I317 L349 | I68-F73 HydrophobicContact CB-CE2 3.83Å; I68-F73 HydrophobicContact CB-CZ 4.44Å; I68-F73 HydrophobicContact CG2-CD2 3.82Å; I68-F73 HydrophobicContact CG2-CE2 3.51Å; I68-F73 HydrophobicContact CG2-CZ 4.14Å; I68-F314 CarbonylContact O-C 3.06Å; I68-F314 WeakPolarHBondContact O-CA 3.44Å; I68-F314 WeakPolarHBondContact O-CB 3.15Å; I68-I315 HydrophobicContact CB-CG2 4.06Å; I68-I315 PolarHBondContact N-O 2.8Å; I68-I315 VanDerWaalsContact N-O 3.1Å; I68-I315 PolarHBondContact O-N 2.84Å; I68-I317 HydrophobicContact CD1-CD1 4.37Å; I68-L349 HydrophobicContact CG1-CD1 4.04Å |
| 69 | T | 97 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 167 | -178 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | N71 G72 F73 T312 V313 F314 M343 K347 M348 Y350 | T69-N71 PolarHBondContact O-N 3.48Å; T69-N71 PolarHBondContact OG1-N 2.85Å; T69-G72 WeakPolarHBondContact O-CA 3.24Å; T69-G72 PolarHBondContact O-N 2.82Å; T69-G72 PolarHBondContact OG1-N 3.27Å; T69-F73 WeakPolarHBondContact O-CD2 3.03Å; T69-F73 PolarHBondContact O-N 3.07Å; T69-F73 VanDerWaalsContact O-N 3.1Å; T69-T312 HydrophobicContact CG2-CG2 3.64Å; T69-V313 CarbonylContact C-O 3.56Å; T69-V313 VanDerWaalsContact CA-O 3.3Å; T69-V313 WeakPolarHBondContact CA-O 3.09Å; T69-F314 HydrophobicContact CG2-CB 4.2Å; T69-M343 HydrophobicContact CG2-CE 3.81Å; T69-K347 WeakPolarHBondContact CB-O 3.23Å; T69-K347 WeakPolarHBondContact CG2-O 3.43Å; T69-K347 PolarHBondContact OG1-O 3.17Å; T69-M348 PolarHBondContact N-O 2.65Å; T69-M348 VanDerWaalsContact N-O 3.09Å; T69-M348 PolarHBondContact OG1-O 3.46Å; T69-Y350 HydrophobicContact CG2-CD2 4Å; T69-Y350 HydrophobicContact CG2-CE2 3.85Å |
| 70 | Q | 96.2 | Very high | 93.6 | Very high | 38 Ų | 38 | 28.6 Ų | 28.6 | 18% | 0.178 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.2 | -38 | 171.7 | -176.1 | 56.7 | 48.5 | 0 | 0 | 111.8 | G72 F73 D74 L124 L126 V313 | Q70-G72 PolarHBondContact O-N 3.1Å; Q70-F73 CarbonylContact O-C 3.59Å; Q70-F73 WeakPolarHBondContact O-CA 3.17Å; Q70-F73 WeakPolarHBondContact O-CB 3.34Å; Q70-F73 PolarHBondContact O-N 3.33Å; Q70-D74 PolarHBondContact NE2-OD1 3.15Å; Q70-D74 VanDerWaalsContact O-CG 3.27Å; Q70-D74 PolarHBondContact O-N 2.81Å; Q70-L124 PolarHBondContact NE2-O 3.07Å; Q70-L126 HydrophobicContact CB-CD1 4.41Å; Q70-V313 PolarHBondContact N-O 2.92Å |
| 71 | N | 95.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 29.5 Ų | 29.5 | 34% | 0.342 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.2 | -32.8 | 175 | -64.4 | -0.8 | 0 | 0 | 0 | 112.6 | T69 E75 N346 M348 | T69-N71 PolarHBondContact O-N 3.48Å; T69-N71 PolarHBondContact OG1-N 2.85Å; N71-E75 PolarHBondContact O-N 3.38Å; N71-N346 PolarHBondContact ND2-O 3.1Å; N71-M348 HydrophobicContact CB-CG 4.5Å |
| 72 | G | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.5 | -39.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | T69 Q70 D74 E75 I76 F547 | T69-G72 WeakPolarHBondContact O-CA 3.24Å; T69-G72 PolarHBondContact O-N 2.82Å; T69-G72 PolarHBondContact OG1-N 3.27Å; Q70-G72 PolarHBondContact O-N 3.1Å; G72-D74 VanDerWaalsContact C-N 3.35Å; G72-E75 PolarHBondContact O-N 2.79Å; G72-I76 WeakPolarHBondContact O-CD1 3.38Å; G72-I76 VanDerWaalsContact O-CG1 3.24Å; G72-I76 WeakPolarHBondContact O-CG1 3.46Å; G72-I76 PolarHBondContact O-N 3.4Å; G72-F547 WeakPolarHBondContact O-CZ 3.42Å |
| 73 | F | 95.2 | Very high | 94 | Very high | 16 Ų | 16 | 29.2 Ų | 29.2 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.2 | -29.5 | 173.6 | -80 | -75 | 0 | 0 | 0 | 113.7 | I68 T69 Q70 I76 S77 L124 L126 I134 I315 | I68-F73 HydrophobicContact CB-CE2 3.83Å; I68-F73 HydrophobicContact CB-CZ 4.44Å; I68-F73 HydrophobicContact CG2-CD2 3.82Å; I68-F73 HydrophobicContact CG2-CE2 3.51Å; I68-F73 HydrophobicContact CG2-CZ 4.14Å; T69-F73 WeakPolarHBondContact O-CD2 3.03Å; T69-F73 PolarHBondContact O-N 3.07Å; T69-F73 VanDerWaalsContact O-N 3.1Å; Q70-F73 CarbonylContact O-C 3.59Å; Q70-F73 WeakPolarHBondContact O-CA 3.17Å; Q70-F73 WeakPolarHBondContact O-CB 3.34Å; Q70-F73 PolarHBondContact O-N 3.33Å; F73-I76 HydrophobicContact CD1-CD1 4.11Å; F73-I76 HydrophobicContact CE1-CD1 4.18Å; F73-I76 PolarHBondContact O-N 2.86Å; F73-S77 VanDerWaalsContact O-CB 3.27Å; F73-S77 WeakPolarHBondContact O-CB 3.05Å; F73-S77 PolarHBondContact O-N 3.09Å; F73-S77 PolarHBondContact O-OG 3.47Å; F73-L124 HydrophobicContact CB-CB 4.25Å; F73-L124 HydrophobicContact CD1-CB 3.92Å; F73-L124 HydrophobicContact CD1-CD1 4.15Å; F73-L126 HydrophobicContact CD2-CD1 3.94Å; F73-L126 HydrophobicContact CD2-CD2 3.78Å; F73-L126 HydrophobicContact CD2-CG 3.78Å; F73-L126 HydrophobicContact CE2-CD1 4.27Å; F73-L126 HydrophobicContact CE2-CD2 3.6Å; F73-L126 HydrophobicContact CE2-CG 4.12Å; F73-L126 HydrophobicContact CG-CG 4.5Å; F73-L126 HydrophobicContact CZ-CD2 4.27Å; F73-I134 HydrophobicContact CE1-CD1 3.61Å; F73-I134 HydrophobicContact CZ-CD1 3.64Å; F73-I134 HydrophobicContact CZ-CG1 4.5Å; F73-I315 HydrophobicContact CE2-CG2 3.74Å; F73-I315 HydrophobicContact CZ-CG2 4.04Å |
| 74 | D | 95.6 | Very high | 94 | Very high | 69 Ų | 69 | 30.4 Ų | 30.4 | 37% | 0.369 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -69.5 | -39.8 | 173.8 | -64.4 | -28.9 | 0 | 0 | 0 | 111.3 | Q70 G72 S77 S78 | Q70-D74 PolarHBondContact NE2-OD1 3.15Å; Q70-D74 VanDerWaalsContact O-CG 3.27Å; Q70-D74 PolarHBondContact O-N 2.81Å; G72-D74 VanDerWaalsContact C-N 3.35Å; D74-S77 WeakPolarHBondContact O-CB 3.36Å; D74-S77 PolarHBondContact O-N 3.23Å; D74-S78 WeakPolarHBondContact O-CB 3.33Å; D74-S78 PolarHBondContact O-N 2.73Å |
| 75 | E | 94.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 20% | 0.201 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 171.2 | 177.5 | 68.1 | 176.8 | 0 | 0 | 111.6 | N71 G72 S77 S78 A79 M348 F547 H548 F549 | N71-E75 PolarHBondContact O-N 3.38Å; G72-E75 PolarHBondContact O-N 2.79Å; E75-S77 VanDerWaalsContact C-N 3.29Å; E75-S77 PolarHBondContact O-N 2.87Å; E75-S78 PolarHBondContact O-N 2.89Å; E75-A79 VanDerWaalsContact O-CB 3.26Å; E75-A79 WeakPolarHBondContact O-CB 3.29Å; E75-A79 PolarHBondContact O-N 3Å; E75-M348 HydrophobicContact CB-CE 3.73Å; E75-M348 HydrophobicContact CB-SD 4.05Å; E75-M348 HydrophobicContact CG-CE 4.07Å; E75-M348 HydrophobicContact CG-SD 4.15Å; E75-F547 HydrophobicContact CB-CE2 4.02Å; E75-F547 HydrophobicContact CG-CD2 3.96Å; E75-F547 HydrophobicContact CG-CE2 3.83Å; E75-H548 WeakPolarHBondContact OE1-CA 3.01Å; E75-H548 IonicContact OE1-CE1 3.16Å; E75-H548 IonicContact OE1-CG 3.55Å; E75-H548 IonicContact OE1-ND1 2.68Å; E75-H548 PolarHBondContact OE1-ND1 3.38Å; E75-F549 HydrophobicContact CG-CD2 4.4Å |
| 76 | I | 93.7 | Very high | 93.8 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 17% | 0.169 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 173.7 | -65.8 | 161.5 | 0 | 0 | 0 | 110.3 | G72 F73 A79 V80 L124 F547 F549 | G72-I76 WeakPolarHBondContact O-CD1 3.38Å; G72-I76 VanDerWaalsContact O-CG1 3.24Å; G72-I76 WeakPolarHBondContact O-CG1 3.46Å; G72-I76 PolarHBondContact O-N 3.4Å; F73-I76 HydrophobicContact CD1-CD1 4.11Å; F73-I76 HydrophobicContact CE1-CD1 4.18Å; F73-I76 PolarHBondContact O-N 2.86Å; I76-A79 PolarHBondContact O-N 2.95Å; I76-V80 HydrophobicContact CG2-CG2 4.24Å; I76-V80 WeakPolarHBondContact O-CB 3.49Å; I76-V80 VanDerWaalsContact O-CG2 3.31Å; I76-V80 WeakPolarHBondContact O-CG2 3.29Å; I76-V80 PolarHBondContact O-N 2.77Å; I76-L124 HydrophobicContact CB-CD1 4.32Å; I76-L124 HydrophobicContact CG2-CD1 3.63Å; I76-F547 HydrophobicContact CD1-CE2 4.48Å; I76-F547 HydrophobicContact CD1-CZ 4.14Å; I76-F547 HydrophobicContact CG1-CE2 3.98Å; I76-F547 HydrophobicContact CG1-CZ 4.14Å; I76-F549 HydrophobicContact CB-CE2 4.45Å; I76-F549 HydrophobicContact CG1-CE2 3.67Å; I76-F549 HydrophobicContact CG1-CZ 4.04Å |
| 77 | S | 94.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 178 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | F73 D74 E75 R81 F122 L124 | F73-S77 VanDerWaalsContact O-CB 3.27Å; F73-S77 WeakPolarHBondContact O-CB 3.05Å; F73-S77 PolarHBondContact O-N 3.09Å; F73-S77 PolarHBondContact O-OG 3.47Å; D74-S77 WeakPolarHBondContact O-CB 3.36Å; D74-S77 PolarHBondContact O-N 3.23Å; E75-S77 VanDerWaalsContact C-N 3.29Å; E75-S77 PolarHBondContact O-N 2.87Å; S77-R81 VanDerWaalsContact O-CB 3.27Å; S77-R81 WeakPolarHBondContact O-CB 3.47Å; S77-R81 PolarHBondContact O-N 2.74Å; S77-F122 WeakPolarHBondContact O-CD1 3.48Å; S77-L124 WeakPolarHBondContact OG-CB 3.47Å; S77-L124 PolarHBondContact OG-N 3.06Å |
| 78 | S | 94.2 | Very high | 93.3 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.4 | -161.2 | 0 | 0 | 0 | 0 | 111.4 | D74 E75 R81 N82 | D74-S78 WeakPolarHBondContact O-CB 3.33Å; D74-S78 PolarHBondContact O-N 2.73Å; E75-S78 PolarHBondContact O-N 2.89Å; S78-R81 PolarHBondContact O-N 2.81Å; S78-R81 PolarHBondContact OG-NH2 2.83Å; S78-N82 VanDerWaalsContact O-CB 3.29Å; S78-N82 WeakPolarHBondContact O-CB 3.22Å; S78-N82 PolarHBondContact O-N 2.82Å; S78-N82 PolarHBondContact O-ND2 3.14Å |
| 79 | A | 93.3 | Very high | 93 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | E75 I76 N82 S83 F549 N551 L554 | E75-A79 VanDerWaalsContact O-CB 3.26Å; E75-A79 WeakPolarHBondContact O-CB 3.29Å; E75-A79 PolarHBondContact O-N 3Å; I76-A79 PolarHBondContact O-N 2.95Å; A79-N82 PolarHBondContact O-N 2.96Å; A79-S83 WeakPolarHBondContact O-CB 3.42Å; A79-S83 PolarHBondContact O-N 2.89Å; A79-S83 PolarHBondContact O-OG 2.87Å; A79-F549 HydrophobicContact CB-CB 3.49Å; A79-F549 VanDerWaalsContact CB-CB 3.49Å; A79-F549 HydrophobicContact CB-CD2 3.57Å; A79-F549 HydrophobicContact CB-CE2 4.47Å; A79-F549 HydrophobicContact CB-CG 3.64Å; A79-N551 WeakPolarHBondContact CA-OD1 3.2Å; A79-N551 PolarHBondContact O-OD1 3.44Å; A79-L554 HydrophobicContact CB-CD2 4.1Å |
| 80 | V | 91.2 | Very high | 92.5 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 22% | 0.218 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -46 | 178.6 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | I76 N82 S83 L84 F122 L554 | I76-V80 HydrophobicContact CG2-CG2 4.24Å; I76-V80 WeakPolarHBondContact O-CB 3.49Å; I76-V80 VanDerWaalsContact O-CG2 3.31Å; I76-V80 WeakPolarHBondContact O-CG2 3.29Å; I76-V80 PolarHBondContact O-N 2.77Å; V80-N82 PolarHBondContact O-N 2.65Å; V80-S83 PolarHBondContact O-N 2.74Å; V80-L84 HydrophobicContact CG1-CD1 3.66Å; V80-L84 HydrophobicContact CG1-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CB 3.43Å; V80-L84 WeakPolarHBondContact O-CG 3.36Å; V80-L84 PolarHBondContact O-N 3.5Å; V80-F122 HydrophobicContact CB-CE1 3.99Å; V80-F122 HydrophobicContact CB-CZ 4.15Å; V80-F122 HydrophobicContact CG1-CE1 3.86Å; V80-F122 HydrophobicContact CG1-CE2 4.28Å; V80-F122 HydrophobicContact CG1-CZ 3.49Å; V80-F122 VanDerWaalsContact CG1-CZ 3.49Å; V80-L554 HydrophobicContact CG2-CD2 4.39Å |
| 81 | R | 92.6 | Very high | 92.1 | Very high | 88 Ų | 88 | 40.6 Ų | 40.6 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.6 | -49.2 | 174.6 | 174.4 | -178.2 | 60.8 | 178 | -6.4 | 112.3 | S77 S78 S83 L84 R85 F119 F122 | S77-R81 VanDerWaalsContact O-CB 3.27Å; S77-R81 WeakPolarHBondContact O-CB 3.47Å; S77-R81 PolarHBondContact O-N 2.74Å; S78-R81 PolarHBondContact O-N 2.81Å; S78-R81 PolarHBondContact OG-NH2 2.83Å; R81-S83 VanDerWaalsContact C-N 3.34Å; R81-L84 PolarHBondContact O-N 3.41Å; R81-R85 PolarHBondContact O-N 3.37Å; R81-R85 VanDerWaalsContact O-N 3.07Å; R81-F119 HydrophobicContact CG-CB 4.22Å; R81-F119 HydrophobicContact CG-CD2 4.32Å; R81-F122 HydrophobicContact CB-CB 4.17Å; R81-F122 HydrophobicContact CB-CD1 4.31Å; R81-F122 HydrophobicContact CB-CG 4.21Å; R81-F122 HydrophobicContact CG-CB 4.41Å |
| 82 | N | 92.6 | Very high | 91.7 | Very high | 47 Ų | 47 | 40 Ų | 40 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 179.4 | -73.1 | -29 | 0 | 0 | 0 | 111.7 | S78 A79 V80 R85 I86 N551 | S78-N82 VanDerWaalsContact O-CB 3.29Å; S78-N82 WeakPolarHBondContact O-CB 3.22Å; S78-N82 PolarHBondContact O-N 2.82Å; S78-N82 PolarHBondContact O-ND2 3.14Å; A79-N82 PolarHBondContact O-N 2.96Å; V80-N82 PolarHBondContact O-N 2.65Å; N82-R85 PolarHBondContact O-N 2.89Å; N82-I86 WeakPolarHBondContact O-CG1 3.24Å; N82-I86 PolarHBondContact O-N 3.14Å; N82-N551 WeakPolarHBondContact CB-OD1 3.49Å |
| 83 | S | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.6 | -35.6 | 178.4 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | A79 V80 R81 I86 A87 N551 L554 A555 | A79-S83 WeakPolarHBondContact O-CB 3.42Å; A79-S83 PolarHBondContact O-N 2.89Å; A79-S83 PolarHBondContact O-OG 2.87Å; V80-S83 PolarHBondContact O-N 2.74Å; R81-S83 VanDerWaalsContact C-N 3.34Å; S83-I86 PolarHBondContact O-N 3.5Å; S83-A87 WeakPolarHBondContact O-CB 3.37Å; S83-A87 PolarHBondContact O-N 3.13Å; S83-N551 WeakPolarHBondContact OG-CA 3.38Å; S83-N551 PolarHBondContact OG-O 2.05Å; S83-L554 WeakPolarHBondContact OG-CB 3.48Å; S83-L554 WeakPolarHBondContact OG-CD2 3.36Å; S83-L554 WeakPolarHBondContact OG-CG 3.26Å; S83-A555 WeakPolarHBondContact O-CB 3.47Å |
| 84 | L | 90.4 | Very high | 90.6 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.2 | -39.6 | 173.4 | -75.2 | 164.5 | 0 | 0 | 0 | 111.9 | V80 R81 I86 A87 L88 F119 F122 I558 | V80-L84 HydrophobicContact CG1-CD1 3.66Å; V80-L84 HydrophobicContact CG1-CG 4.34Å; V80-L84 WeakPolarHBondContact O-CB 3.43Å; V80-L84 WeakPolarHBondContact O-CG 3.36Å; V80-L84 PolarHBondContact O-N 3.5Å; R81-L84 PolarHBondContact O-N 3.41Å; L84-I86 PolarHBondContact O-N 2.8Å; L84-A87 PolarHBondContact O-N 3.31Å; L84-A87 VanDerWaalsContact O-N 3.12Å; L84-L88 HydrophobicContact CB-CD1 4.16Å; L84-L88 HydrophobicContact CD2-CD1 4.04Å; L84-L88 HydrophobicContact CD2-CD2 4.36Å; L84-L88 HydrophobicContact CD2-CG 4.11Å; L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 2.9Å; L84-F119 HydrophobicContact CB-CE2 3.97Å; L84-F119 HydrophobicContact CD1-CE2 3.57Å; L84-F119 HydrophobicContact CD1-CZ 3.98Å; L84-F119 HydrophobicContact CG-CE2 4.37Å; L84-F122 HydrophobicContact CD1-CE2 4.32Å; L84-I558 HydrophobicContact CD2-CD1 4.37Å; L84-I558 HydrophobicContact CD2-CG2 3.82Å; L84-I558 HydrophobicContact CG-CD1 4.28Å |
| 85 | R | 90.9 | Very high | 89.8 | Confident | 149 Ų | 149 | 50.6 Ų | 50.6 | 56% | 0.562 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.3 | -29.8 | 172.1 | -168.8 | -178.8 | 68.8 | 155.9 | 0.5 | 112.9 | R81 N82 P89 | R81-R85 PolarHBondContact O-N 3.37Å; R81-R85 VanDerWaalsContact O-N 3.07Å; N82-R85 PolarHBondContact O-N 2.89Å; R85-P89 VanDerWaalsContact O-CD 3.23Å; R85-P89 WeakPolarHBondContact O-CD 3.38Å; R85-P89 VanDerWaalsContact O-CG 3.29Å; R85-P89 WeakPolarHBondContact O-CG 3.21Å |
| 86 | I | 91.1 | Very high | 88.8 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -82.5 | -43.4 | 171.7 | -61.9 | 164.5 | 0 | 0 | 0 | 110.7 | N82 S83 L84 N551 A555 R559 | N82-I86 WeakPolarHBondContact O-CG1 3.24Å; N82-I86 PolarHBondContact O-N 3.14Å; S83-I86 PolarHBondContact O-N 3.5Å; L84-I86 PolarHBondContact O-N 2.8Å; I86-N551 HydrophobicContact CD1-CB 4.14Å; I86-A555 HydrophobicContact CB-CB 3.75Å; I86-A555 HydrophobicContact CG2-CB 3.63Å; I86-R559 PolarHBondContact O-NH2 3.32Å |
| 87 | A | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.2 | -42.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S83 L84 A555 I558 R559 | S83-A87 WeakPolarHBondContact O-CB 3.37Å; S83-A87 PolarHBondContact O-N 3.13Å; L84-A87 PolarHBondContact O-N 3.31Å; L84-A87 VanDerWaalsContact O-N 3.12Å; A87-A555 HydrophobicContact CB-CB 4.23Å; A87-I558 HydrophobicContact CB-CB 4.17Å; A87-I558 HydrophobicContact CB-CG2 3.75Å; A87-R559 HydrophobicContact CB-CG 3.88Å; A87-R559 WeakPolarHBondContact O-CG 3.21Å; A87-R559 PolarHBondContact O-NE 3.17Å |
| 88 | L | 89.1 | Confident | 86.7 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 15% | 0.152 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -79.8 | -39.5 | -167.3 | -64.2 | 175.4 | 0 | 0 | 0 | 115.9 | L84 G90 L91 V113 F116 L562 | L84-L88 HydrophobicContact CB-CD1 4.16Å; L84-L88 HydrophobicContact CD2-CD1 4.04Å; L84-L88 HydrophobicContact CD2-CD2 4.36Å; L84-L88 HydrophobicContact CD2-CG 4.11Å; L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 WeakPolarHBondContact O-CG 3.4Å; L84-L88 PolarHBondContact O-N 2.9Å; L88-G90 PolarHBondContact O-N 3.15Å; L88-L91 HydrophobicContact CD2-CD2 4.05Å; L88-L91 WeakPolarHBondContact O-CB 3.47Å; L88-L91 PolarHBondContact O-N 3.44Å; L88-V113 VanDerWaalsContact O-CB 3.24Å; L88-V113 WeakPolarHBondContact O-CB 3.42Å; L88-V113 WeakPolarHBondContact O-CG1 3.37Å; L88-F116 HydrophobicContact CB-CD1 4.06Å; L88-F116 HydrophobicContact CB-CG 4.2Å; L88-F116 HydrophobicContact CD1-CD1 4.05Å; L88-F116 HydrophobicContact CD1-CD2 3.9Å; L88-F116 HydrophobicContact CD1-CE1 3.87Å; L88-F116 HydrophobicContact CD1-CE2 3.7Å; L88-F116 HydrophobicContact CD1-CG 4.07Å; L88-F116 HydrophobicContact CD1-CZ 3.69Å; L88-L562 HydrophobicContact CD2-CD1 3.77Å |
| 89 | P | 88.6 | Confident | 85.5 | Confident | 67 Ų | 67 | 58 Ų | 58 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 124 | -177 | -27.4 | 36.9 | 0 | 0 | 0 | 112.6 | R85 L91 | R85-P89 VanDerWaalsContact O-CD 3.23Å; R85-P89 WeakPolarHBondContact O-CD 3.38Å; R85-P89 VanDerWaalsContact O-CG 3.29Å; R85-P89 WeakPolarHBondContact O-CG 3.21Å; P89-L91 PolarHBondContact O-N 2.82Å |
| 90 | G | 86.1 | Confident | 84.2 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L88 T92 V113 | L88-G90 PolarHBondContact O-N 3.15Å; G90-T92 PolarHBondContact O-N 2.86Å; G90-V113 PolarHBondContact N-O 3.25Å |
| 91 | L | 87.7 | Confident | 82.9 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | trans | -62.2 | 121 | 173.3 | 178.3 | 65.9 | 0 | 0 | 0 | 110 | L88 P89 K112 V113 L562 | L88-L91 HydrophobicContact CD2-CD2 4.05Å; L88-L91 WeakPolarHBondContact O-CB 3.47Å; L88-L91 PolarHBondContact O-N 3.44Å; P89-L91 PolarHBondContact O-N 2.82Å; L91-K112 CarbonylContact O-C 3.55Å; L91-K112 WeakPolarHBondContact O-CA 3.34Å; L91-V113 HydrophobicContact CB-CG2 4.07Å; L91-V113 PolarHBondContact O-N 3.2Å; L91-L562 HydrophobicContact CD2-CB 4.06Å; L91-L562 HydrophobicContact CD2-CD1 3.67Å; L91-L562 HydrophobicContact CD2-CG 4.49Å | ||
| 92 | T | 87.1 | Confident | 81.7 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 31% | 0.307 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.2 | 175 | -78.6 | 0 | 0 | 0 | 0 | 109.6 | G90 R94 E110 L111 K112 | G90-T92 PolarHBondContact O-N 2.86Å; T92-R94 HydrophobicContact CG2-CG 3.95Å; T92-E110 HydrophobicContact CG2-CG 3.54Å; T92-E110 WeakPolarHBondContact CG2-OE1 3.21Å; T92-E110 PolarHBondContact OG1-OE1 3.06Å; T92-L111 WeakPolarHBondContact CA-O 3.45Å; T92-K112 WeakPolarHBondContact OG1-CG 3.35Å |
| 93 | I | 83.1 | Confident | 80.7 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.4 | 170.1 | -50 | 177.2 | 0 | 0 | 0 | 107.4 | V96 E110 L111 | I93-V96 HydrophobicContact CB-CG2 4.18Å; I93-V96 HydrophobicContact CG2-CG2 3.99Å; I93-V96 WeakPolarHBondContact O-CG2 3.29Å; I93-E110 WeakPolarHBondContact O-CA 3.37Å; I93-L111 PolarHBondContact N-O 2.85Å; I93-L111 PolarHBondContact O-N 2.92Å |
| 94 | R | 84.9 | Confident | 79.6 | Confident | 162 Ų | 162 | 76.2 Ų | 76.2 | 61% | 0.611 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 147.9 | -178.1 | -74.9 | 179.7 | 172.4 | 164.7 | 1.3 | 111.4 | T92 V96 E109 E110 S566 | T92-R94 HydrophobicContact CG2-CG 3.95Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-E109 WeakPolarHBondContact CA-O 3.33Å; R94-E110 HydrophobicContact CG-CB 4.48Å; R94-E110 HydrophobicContact CG-CG 4.01Å; R94-E110 IonicContact CZ-OE2 3.24Å; R94-E110 IonicContact NE-OE2 2.69Å; R94-E110 PolarHBondContact NE-OE2 3.09Å; R94-E110 IonicContact NH2-OE2 2.67Å; R94-E110 PolarHBondContact NH2-OE2 2.85Å; R94-S566 PolarHBondContact O-OG 2.99Å |
| 95 | N | 79.3 | Confident | 79 | Confident | 112 Ų | 112 | 78.3 Ų | 78.3 | 60% | 0.599 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.8 | 43.7 | -176.3 | -50 | -64.3 | 0 | 0 | 0 | 112.2 | G97 E109 S566 | N95-G97 PolarHBondContact O-N 2.84Å; N95-E109 PolarHBondContact N-O 3.47Å; N95-S566 PolarHBondContact O-OG 3.38Å; N95-S566 VanDerWaalsContact O-OG 3.13Å |
| 96 | V | 73.8 | Confident | 78.4 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 30% | 0.303 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | -28 | -171.5 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | I93 R94 I108 L111 | I93-V96 HydrophobicContact CB-CG2 4.18Å; I93-V96 HydrophobicContact CG2-CG2 3.99Å; I93-V96 WeakPolarHBondContact O-CG2 3.29Å; R94-V96 VanDerWaalsContact C-N 3.31Å; V96-I108 HydrophobicContact CB-CB 4.04Å; V96-I108 HydrophobicContact CB-CG2 3.77Å; V96-I108 HydrophobicContact CG1-CG2 4.4Å; V96-I108 HydrophobicContact CG2-CG2 3.9Å; V96-I108 PolarHBondContact N-O 2.83Å; V96-L111 HydrophobicContact CG2-CB 3.82Å |
| 97 | G | 72.7 | Confident | 78 | Confident | 31 Ų | 31 | 73 Ų | 73 | 32% | 0.32 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.9 | -160.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N95 I108 | N95-G97 PolarHBondContact O-N 2.84Å; G97-I108 PolarHBondContact O-N 2.75Å |
| 98 | R | 72.2 | Confident | 77.7 | Confident | 151 Ų | 151 | 74.9 Ų | 74.9 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.2 | 175.1 | 175.3 | 171.1 | 163.8 | 178.7 | -5.7 | 109.8 | D100 H105 I106 | R98-D100 IonicContact NE-OD1 2.84Å; R98-D100 PolarHBondContact NE-OD1 2.9Å; R98-H105 PolarHBondContact NH2-CD2 3.43Å; R98-H105 VanDerWaalsContact NH2-CD2 3.27Å; R98-H105 PolarHBondContact NH2-CE1 3.3Å; R98-H105 PolarHBondContact NH2-ND1 2.91Å; R98-H105 PolarHBondContact NH2-NE2 2.86Å; R98-I106 CarbonylContact C-O 3.56Å; R98-I106 WeakPolarHBondContact CA-O 3.35Å |
| 99 | A | 67.8 | Low | 77.5 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I106 I108 | A99-I106 PolarHBondContact N-O 2.85Å; A99-I106 WeakPolarHBondContact O-CA 3.3Å; A99-I106 VanDerWaalsContact O-CB 3.31Å; A99-I106 WeakPolarHBondContact O-CB 3.37Å; A99-I106 PolarHBondContact O-N 3.33Å; A99-I108 HydrophobicContact CB-CD1 4.29Å |
| 100 | D | 66.5 | Low | 77.4 | Confident | 101 Ų | 101 | 74.9 Ų | 74.9 | 54% | 0.54 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 118.9 | 176.1 | -70.4 | -17.7 | 0 | 0 | 0 | 109.2 | R98 H105 | R98-D100 IonicContact NE-OD1 2.84Å; R98-D100 PolarHBondContact NE-OD1 2.9Å; D100-H105 WeakPolarHBondContact OD1-CA 3.21Å; D100-H105 IonicContact OD1-CE1 3.77Å; D100-H105 IonicContact OD1-CG 3.55Å; D100-H105 IonicContact OD1-ND1 2.72Å; D100-H105 PolarHBondContact OD1-ND1 3.04Å; D100-H105 IonicContact OD2-CE1 3.7Å; D100-H105 IonicContact OD2-ND1 3.38Å; D100-H105 PolarHBondContact OD2-ND1 2.88Å |
| 101 | V | 64 | Low | 77.5 | Confident | 55 Ų | 55 | 74.6 Ų | 74.6 | 33% | 0.333 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 120.2 | -176.3 | -179 | 0 | 0 | 0 | 0 | 108.7 | R103 A104 I106 | V101-R103 PolarHBondContact O-N 3.14Å; V101-R103 VanDerWaalsContact O-N 3.14Å; V101-A104 PolarHBondContact N-O 2.85Å; V101-A104 WeakPolarHBondContact O-CB 3.45Å; V101-A104 PolarHBondContact O-N 2.95Å; V101-I106 HydrophobicContact CB-CD1 3.83Å; V101-I106 HydrophobicContact CG2-CD1 3.86Å |
| 102 | L | 67.9 | Low | 77.7 | Confident | 162 Ų | 162 | 77.6 Ų | 77.6 | 85% | 0.848 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | -111.7 | -169.2 | -56.4 | 171.6 | 0 | 0 | 0 | 110.8 | ||
| 103 | R | 70.4 | Confident | 77.8 | Confident | 220 Ų | 220 | 75.8 Ų | 75.8 | 83% | 0.83 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 22.7 | 173.8 | -60.7 | -178 | -178.8 | 171.6 | 0.1 | 111.8 | V101 R153 | V101-R103 PolarHBondContact O-N 3.14Å; V101-R103 VanDerWaalsContact O-N 3.14Å; R103-R153 PolarHBondContact O-NE 2.91Å; R103-R153 PolarHBondContact O-NH2 2.93Å |
| 104 | A | 69.6 | Low | 78.2 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V101 I106 R153 | V101-A104 PolarHBondContact N-O 2.85Å; V101-A104 WeakPolarHBondContact O-CB 3.45Å; V101-A104 PolarHBondContact O-N 2.95Å; A104-I106 HydrophobicContact CB-CG1 4.48Å; A104-R153 HydrophobicContact CB-CG 3.73Å |
| 105 | H | 77.4 | Confident | 78.5 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.3 | 173.3 | -59.7 | -47.9 | 0 | 0 | 0 | 108.2 | R98 D100 T151 N152 | R98-H105 PolarHBondContact NH2-CD2 3.43Å; R98-H105 VanDerWaalsContact NH2-CD2 3.27Å; R98-H105 PolarHBondContact NH2-CE1 3.3Å; R98-H105 PolarHBondContact NH2-ND1 2.91Å; R98-H105 PolarHBondContact NH2-NE2 2.86Å; D100-H105 WeakPolarHBondContact OD1-CA 3.21Å; D100-H105 IonicContact OD1-CE1 3.77Å; D100-H105 IonicContact OD1-CG 3.55Å; D100-H105 IonicContact OD1-ND1 2.72Å; D100-H105 PolarHBondContact OD1-ND1 3.04Å; D100-H105 IonicContact OD2-CE1 3.7Å; D100-H105 IonicContact OD2-ND1 3.38Å; D100-H105 PolarHBondContact OD2-ND1 2.88Å; H105-T151 WeakPolarHBondContact O-CA 3.26Å; H105-T151 VanDerWaalsContact O-CB 3.26Å; H105-T151 WeakPolarHBondContact O-CB 3.38Å; H105-T151 PolarHBondContact O-OG1 3.07Å; H105-N152 PolarHBondContact N-OD1 2.87Å |
| 106 | I | 77.3 | Confident | 79 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116 | -175.4 | -52.3 | -175 | 0 | 0 | 0 | 108.7 | R98 A99 V101 A104 V149 S150 | R98-I106 CarbonylContact C-O 3.56Å; R98-I106 WeakPolarHBondContact CA-O 3.35Å; A99-I106 PolarHBondContact N-O 2.85Å; A99-I106 WeakPolarHBondContact O-CA 3.3Å; A99-I106 VanDerWaalsContact O-CB 3.31Å; A99-I106 WeakPolarHBondContact O-CB 3.37Å; A99-I106 PolarHBondContact O-N 3.33Å; V101-I106 HydrophobicContact CB-CD1 3.83Å; V101-I106 HydrophobicContact CG2-CD1 3.86Å; A104-I106 HydrophobicContact CB-CG1 4.48Å; I106-V149 HydrophobicContact CG2-CB 3.59Å; I106-V149 HydrophobicContact CG2-CG1 3.88Å; I106-V149 HydrophobicContact CG2-CG2 4.09Å; I106-S150 WeakPolarHBondContact CA-O 3.28Å |
| 107 | N | 82.4 | Confident | 79.7 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.1 | 172.5 | -61.3 | -28.4 | 0 | 0 | 0 | 108.4 | E109 V149 S150 | N107-E109 PolarHBondContact O-N 2.75Å; N107-V149 CarbonylContact O-C 3.55Å; N107-V149 VanDerWaalsContact O-CA 3.24Å; N107-V149 WeakPolarHBondContact O-CA 3.37Å; N107-S150 PolarHBondContact N-O 3.04Å; N107-S150 PolarHBondContact O-N 2.75Å |
| 108 | I | 83.3 | Confident | 80.1 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 96.6 | 176.8 | -54.1 | 175.9 | 0 | 0 | 0 | 107.3 | V96 G97 A99 V147 V149 | V96-I108 HydrophobicContact CB-CB 4.04Å; V96-I108 HydrophobicContact CB-CG2 3.77Å; V96-I108 HydrophobicContact CG1-CG2 4.4Å; V96-I108 HydrophobicContact CG2-CG2 3.9Å; V96-I108 PolarHBondContact N-O 2.83Å; G97-I108 PolarHBondContact O-N 2.75Å; A99-I108 HydrophobicContact CB-CD1 4.29Å; I108-V147 HydrophobicContact CG2-CG1 4.03Å; I108-V149 HydrophobicContact CG1-CG1 4.26Å |
| 109 | E | 85.2 | Confident | 80.9 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -45.6 | -171.6 | -58.3 | -173.6 | 143.8 | 0 | 0 | 111.4 | R94 N95 N107 T148 S150 R158 | R94-E109 WeakPolarHBondContact CA-O 3.33Å; N95-E109 PolarHBondContact N-O 3.47Å; N107-E109 PolarHBondContact O-N 2.75Å; E109-T148 HydrophobicContact CB-CG2 4.39Å; E109-T148 PolarHBondContact N-O 3.42Å; E109-T148 WeakPolarHBondContact OE2-CG2 3.3Å; E109-S150 VanDerWaalsContact CD-OG 3.23Å; E109-S150 WeakPolarHBondContact OE1-CB 3.21Å; E109-S150 PolarHBondContact OE1-OG 3.18Å; E109-R158 VanDerWaalsContact CD-NH2 3.33Å; E109-R158 IonicContact OE1-CZ 3.43Å; E109-R158 IonicContact OE1-NE 2.71Å; E109-R158 IonicContact OE1-NH2 3.04Å; E109-R158 PolarHBondContact OE1-NH2 2.96Å; E109-R158 IonicContact OE2-CZ 3.32Å; E109-R158 IonicContact OE2-NE 3.5Å; E109-R158 PolarHBondContact OE2-NE 2.6Å; E109-R158 IonicContact OE2-NH2 3.35Å; E109-R158 PolarHBondContact OE2-NH2 2.87Å |
| 110 | E | 87.7 | Confident | 81.9 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 135.7 | 177.6 | -165.2 | 170.5 | 122.4 | 0 | 0 | 111 | T92 I93 R94 V147 T148 | T92-E110 HydrophobicContact CG2-CG 3.54Å; T92-E110 WeakPolarHBondContact CG2-OE1 3.21Å; T92-E110 PolarHBondContact OG1-OE1 3.06Å; I93-E110 WeakPolarHBondContact O-CA 3.37Å; R94-E110 HydrophobicContact CG-CB 4.48Å; R94-E110 HydrophobicContact CG-CG 4.01Å; R94-E110 IonicContact CZ-OE2 3.24Å; R94-E110 IonicContact NE-OE2 2.69Å; R94-E110 PolarHBondContact NE-OE2 3.09Å; R94-E110 IonicContact NH2-OE2 2.67Å; R94-E110 PolarHBondContact NH2-OE2 2.85Å; E110-V147 WeakPolarHBondContact O-CA 3.36Å; E110-T148 PolarHBondContact N-O 3.47Å; E110-T148 PolarHBondContact O-N 3.43Å |
| 111 | L | 87 | Confident | 83 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123 | 165.3 | -178 | 161.5 | 0 | 0 | 0 | 107.6 | T92 I93 V96 L145 | T92-L111 WeakPolarHBondContact CA-O 3.45Å; I93-L111 PolarHBondContact N-O 2.85Å; I93-L111 PolarHBondContact O-N 2.92Å; V96-L111 HydrophobicContact CG2-CB 3.82Å; L111-L145 HydrophobicContact CD2-CD1 4.44Å; L111-L145 HydrophobicContact CD2-CD2 4.18Å |
| 112 | K | 91.1 | Very high | 84.5 | Confident | 89 Ų | 89 | 63 Ų | 63 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.7 | -177.4 | 177.6 | 178.5 | 179.7 | -173 | 0 | 111.3 | L91 T92 A114 L145 T146 | L91-K112 CarbonylContact O-C 3.55Å; L91-K112 WeakPolarHBondContact O-CA 3.34Å; T92-K112 WeakPolarHBondContact OG1-CG 3.35Å; K112-A114 PolarHBondContact O-N 2.88Å; K112-L145 CarbonylContact O-C 3.58Å; K112-L145 WeakPolarHBondContact O-CA 3.44Å; K112-T146 PolarHBondContact N-O 2.94Å; K112-T146 PolarHBondContact O-N 2.87Å |
| 113 | V | 90.6 | Very high | 85.8 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 109.5 | 168.7 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | L88 G90 L91 F116 L143 L145 | L88-V113 VanDerWaalsContact O-CB 3.24Å; L88-V113 WeakPolarHBondContact O-CB 3.42Å; L88-V113 WeakPolarHBondContact O-CG1 3.37Å; G90-V113 PolarHBondContact N-O 3.25Å; L91-V113 HydrophobicContact CB-CG2 4.07Å; L91-V113 PolarHBondContact O-N 3.2Å; V113-F116 HydrophobicContact CG1-CB 3.85Å; V113-L143 HydrophobicContact CG1-CD1 4.24Å; V113-L145 HydrophobicContact CB-CD2 4.39Å; V113-L145 HydrophobicContact CG2-CD2 3.87Å |
| 114 | A | 90.8 | Very high | 87 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -47.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | K112 A144 | K112-A114 PolarHBondContact O-N 2.88Å; A114-A144 HydrophobicContact CB-CB 4.21Å; A114-A144 WeakPolarHBondContact CB-O 3.39Å; A114-A144 PolarHBondContact N-O 3.13Å |
| 115 | T | 90.8 | Very high | 88.2 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.1 | 168.6 | 72.6 | 0 | 0 | 0 | 0 | 109.8 | A144 | T115-A144 HydrophobicContact CG2-CB 4.42Å; T115-A144 PolarHBondContact N-O 3.26Å; T115-A144 PolarHBondContact O-N 2.93Å; T115-A144 WeakPolarHBondContact OG1-CB 3.42Å |
| 116 | F | 90.4 | Very high | 89.1 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 110.5 | 171 | 166.2 | -105.2 | 0 | 0 | 0 | 107.2 | L88 V113 F119 I140 L143 | L88-F116 HydrophobicContact CB-CD1 4.06Å; L88-F116 HydrophobicContact CB-CG 4.2Å; L88-F116 HydrophobicContact CD1-CD1 4.05Å; L88-F116 HydrophobicContact CD1-CD2 3.9Å; L88-F116 HydrophobicContact CD1-CE1 3.87Å; L88-F116 HydrophobicContact CD1-CE2 3.7Å; L88-F116 HydrophobicContact CD1-CG 4.07Å; L88-F116 HydrophobicContact CD1-CZ 3.69Å; V113-F116 HydrophobicContact CG1-CB 3.85Å; F116-F119 HydrophobicContact CE2-CE2 4.24Å; F116-F119 HydrophobicContact CE2-CZ 4.49Å; F116-F119 AromaticContact CZ-CD2 3.84Å; F116-F119 HydrophobicContact CZ-CD2 3.84Å; F116-F119 AromaticContact CZ-CE2 3.66Å; F116-F119 HydrophobicContact CZ-CE2 3.66Å; F116-F119 HydrophobicContact CZ-CZ 4.34Å; F116-I140 HydrophobicContact CD2-CG2 4.16Å; F116-I140 HydrophobicContact CE2-CD1 3.98Å; F116-I140 HydrophobicContact CE2-CG1 4.16Å; F116-I140 HydrophobicContact CE2-CG2 3.94Å; F116-L143 HydrophobicContact CB-CD1 4.24Å; F116-L143 HydrophobicContact CD2-CD1 4.14Å |
| 117 | D | 87.8 | Confident | 90 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 144.9 | 168.6 | -63.6 | 5.7 | 0 | 0 | 0 | 107.6 | R142 | D117-R142 HydrophobicContact CB-CB 4.28Å; D117-R142 PolarHBondContact N-O 3.04Å; D117-R142 WeakPolarHBondContact OD2-CB 3.49Å |
| 118 | S | 81.6 | Confident | 90.4 | Very high | 59 Ų | 59 | 52.6 Ų | 52.6 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 153.1 | 176.2 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | D120 | S118-D120 PolarHBondContact O-N 3.15Å; S118-D120 VanDerWaalsContact O-N 3.16Å |
| 119 | F | 88.6 | Confident | 90.4 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 10% | 0.096 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 119 | 173.1 | -67.7 | -86.8 | 0 | 0 | 0 | 112 | R81 L84 F116 H121 F122 A138 R139 I140 | R81-F119 HydrophobicContact CG-CB 4.22Å; R81-F119 HydrophobicContact CG-CD2 4.32Å; L84-F119 HydrophobicContact CB-CE2 3.97Å; L84-F119 HydrophobicContact CD1-CE2 3.57Å; L84-F119 HydrophobicContact CD1-CZ 3.98Å; L84-F119 HydrophobicContact CG-CE2 4.37Å; F116-F119 HydrophobicContact CE2-CE2 4.24Å; F116-F119 HydrophobicContact CE2-CZ 4.49Å; F116-F119 AromaticContact CZ-CD2 3.84Å; F116-F119 HydrophobicContact CZ-CD2 3.84Å; F116-F119 AromaticContact CZ-CE2 3.66Å; F116-F119 HydrophobicContact CZ-CE2 3.66Å; F116-F119 HydrophobicContact CZ-CZ 4.34Å; F119-H121 VanDerWaalsContact C-N 3.26Å; F119-F122 HydrophobicContact CB-CB 3.97Å; F119-F122 AromaticContact CD1-CD2 3.86Å; F119-F122 HydrophobicContact CD1-CD2 3.86Å; F119-F122 HydrophobicContact CD2-CD2 4.08Å; F119-F122 AromaticContact CE1-CD2 3.92Å; F119-F122 HydrophobicContact CE1-CD2 3.92Å; F119-F122 HydrophobicContact CE1-CE2 4.38Å; F119-F122 HydrophobicContact CE2-CD2 4.16Å; F119-F122 HydrophobicContact CE2-CE2 4.47Å; F119-F122 HydrophobicContact CG-CB 4.2Å; F119-F122 AromaticContact CG-CD2 3.94Å; F119-F122 HydrophobicContact CG-CD2 3.94Å; F119-F122 HydrophobicContact CZ-CD2 4.08Å; F119-F122 HydrophobicContact CZ-CE2 4.25Å; F119-A138 HydrophobicContact CD1-CB 3.92Å; F119-A138 HydrophobicContact CE1-CB 3.98Å; F119-R139 CarbonylContact C-O 3.58Å; F119-R139 WeakPolarHBondContact CA-O 3.37Å; F119-I140 HydrophobicContact CD1-CD1 4.4Å; F119-I140 HydrophobicContact CD1-CG1 3.52Å; F119-I140 HydrophobicContact CE1-CD1 3.76Å; F119-I140 HydrophobicContact CE1-CG1 3.37Å; F119-I140 HydrophobicContact CG-CG1 4.35Å; F119-I140 HydrophobicContact CZ-CD1 4.12Å; F119-I140 HydrophobicContact CZ-CG1 4.09Å |
| 120 | D | 88.5 | Confident | 90.4 | Very high | 101 Ų | 101 | 59.8 Ų | 59.8 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | -37.8 | 170.4 | -49.9 | -58.8 | 0 | 0 | 0 | 110 | S118 R139 G141 | S118-D120 PolarHBondContact O-N 3.15Å; S118-D120 VanDerWaalsContact O-N 3.16Å; D120-R139 PolarHBondContact N-O 2.83Å; D120-G141 VanDerWaalsContact OD2-CA 3.26Å; D120-G141 WeakPolarHBondContact OD2-CA 3.32Å; D120-G141 PolarHBondContact OD2-N 3.3Å |
| 121 | H | 91.2 | Very high | 90.3 | Very high | 62 Ų | 62 | 60.6 Ų | 60.6 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134 | 174.6 | -163.7 | 90.9 | 0 | 0 | 0 | 109.7 | F119 S137 A138 R139 | F119-H121 VanDerWaalsContact C-N 3.26Å; H121-S137 PolarHBondContact CD2-O 2.84Å; H121-A138 CarbonylContact O-C 3.53Å; H121-A138 WeakPolarHBondContact O-CA 3.37Å; H121-R139 HydrophobicContact CB-CB 4.01Å; H121-R139 PolarHBondContact N-O 2.81Å; H121-R139 PolarHBondContact O-N 2.53Å |
| 122 | F | 93.9 | Very high | 90.6 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 111.4 | 167.9 | -168.9 | -80.5 | 0 | 0 | 0 | 107.9 | S77 V80 R81 L84 F119 L136 S137 A138 | S77-F122 WeakPolarHBondContact O-CD1 3.48Å; V80-F122 HydrophobicContact CB-CE1 3.99Å; V80-F122 HydrophobicContact CB-CZ 4.15Å; V80-F122 HydrophobicContact CG1-CE1 3.86Å; V80-F122 HydrophobicContact CG1-CE2 4.28Å; V80-F122 HydrophobicContact CG1-CZ 3.49Å; V80-F122 VanDerWaalsContact CG1-CZ 3.49Å; R81-F122 HydrophobicContact CB-CB 4.17Å; R81-F122 HydrophobicContact CB-CD1 4.31Å; R81-F122 HydrophobicContact CB-CG 4.21Å; R81-F122 HydrophobicContact CG-CB 4.41Å; L84-F122 HydrophobicContact CD1-CE2 4.32Å; F119-F122 HydrophobicContact CB-CB 3.97Å; F119-F122 AromaticContact CD1-CD2 3.86Å; F119-F122 HydrophobicContact CD1-CD2 3.86Å; F119-F122 HydrophobicContact CD2-CD2 4.08Å; F119-F122 AromaticContact CE1-CD2 3.92Å; F119-F122 HydrophobicContact CE1-CD2 3.92Å; F119-F122 HydrophobicContact CE1-CE2 4.38Å; F119-F122 HydrophobicContact CE2-CD2 4.16Å; F119-F122 HydrophobicContact CE2-CE2 4.47Å; F119-F122 HydrophobicContact CG-CB 4.2Å; F119-F122 AromaticContact CG-CD2 3.94Å; F119-F122 HydrophobicContact CG-CD2 3.94Å; F119-F122 HydrophobicContact CZ-CD2 4.08Å; F119-F122 HydrophobicContact CZ-CE2 4.25Å; F122-L136 HydrophobicContact CD1-CD1 4.44Å; F122-L136 HydrophobicContact CD2-CD1 4.34Å; F122-L136 HydrophobicContact CE1-CD1 3.97Å; F122-L136 HydrophobicContact CE2-CD1 3.87Å; F122-L136 HydrophobicContact CZ-CD1 3.66Å; F122-S137 WeakPolarHBondContact CA-O 3.33Å; F122-A138 HydrophobicContact CD2-CB 3.7Å; F122-A138 HydrophobicContact CE2-CB 4.28Å; F122-A138 HydrophobicContact CG-CB 4.4Å |
| 123 | R | 95.4 | Very high | 90.7 | Very high | 131 Ų | 131 | 56.5 Ų | 56.5 | 49% | 0.494 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.7 | 179.8 | -67.7 | -172.3 | -179.4 | 177.2 | -1.8 | 111.4 | M125 L136 S137 | R123-M125 HydrophobicContact CB-CG 4.18Å; R123-L136 WeakPolarHBondContact O-CA 3.45Å; R123-S137 PolarHBondContact N-O 2.86Å; R123-S137 PolarHBondContact O-N 2.84Å |
| 124 | L | 95.4 | Very high | 90.9 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.7 | 162.3 | -63.8 | 167.1 | 0 | 0 | 0 | 107.4 | Q70 F73 I76 S77 I134 R135 L136 | Q70-L124 PolarHBondContact NE2-O 3.07Å; F73-L124 HydrophobicContact CB-CB 4.25Å; F73-L124 HydrophobicContact CD1-CB 3.92Å; F73-L124 HydrophobicContact CD1-CD1 4.15Å; I76-L124 HydrophobicContact CB-CD1 4.32Å; I76-L124 HydrophobicContact CG2-CD1 3.63Å; S77-L124 WeakPolarHBondContact OG-CB 3.47Å; S77-L124 PolarHBondContact OG-N 3.06Å; L124-I134 HydrophobicContact CB-CG2 4.2Å; L124-I134 HydrophobicContact CD2-CG2 4.14Å; L124-R135 WeakPolarHBondContact CA-O 3.42Å; L124-L136 HydrophobicContact CD2-CB 3.83Å; L124-L136 HydrophobicContact CD2-CD1 3.85Å; L124-L136 HydrophobicContact CD2-CG 4.33Å; L124-L136 HydrophobicContact CG-CD1 4.42Å |
| 125 | M | 95.8 | Very high | 91.1 | Very high | 84 Ų | 84 | 58.7 Ų | 58.7 | 41% | 0.414 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.7 | -178.3 | -68.7 | -177.2 | 61.4 | 0 | 0 | 110.6 | R123 Q127 R135 | R123-M125 HydrophobicContact CB-CG 4.18Å; M125-Q127 PolarHBondContact O-N 2.87Å; M125-Q127 PolarHBondContact O-NE2 3.38Å; M125-R135 PolarHBondContact N-O 2.76Å; M125-R135 PolarHBondContact O-N 3.42Å |
| 126 | L | 96.7 | Very high | 91.3 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 125.9 | 172.4 | -71.2 | 177.2 | 0 | 0 | 0 | 110.7 | Q70 F73 Q133 I134 V306 V313 I315 | Q70-L126 HydrophobicContact CB-CD1 4.41Å; F73-L126 HydrophobicContact CD2-CD1 3.94Å; F73-L126 HydrophobicContact CD2-CD2 3.78Å; F73-L126 HydrophobicContact CD2-CG 3.78Å; F73-L126 HydrophobicContact CE2-CD1 4.27Å; F73-L126 HydrophobicContact CE2-CD2 3.6Å; F73-L126 HydrophobicContact CE2-CG 4.12Å; F73-L126 HydrophobicContact CG-CG 4.5Å; F73-L126 HydrophobicContact CZ-CD2 4.27Å; L126-Q133 WeakPolarHBondContact CA-O 3.46Å; L126-I134 HydrophobicContact CD2-CG1 4.24Å; L126-V306 HydrophobicContact CB-CG1 3.96Å; L126-V306 HydrophobicContact CD2-CG2 4.2Å; L126-V313 HydrophobicContact CB-CG1 3.94Å; L126-V313 HydrophobicContact CD1-CG1 4.12Å; L126-I315 HydrophobicContact CD2-CB 3.87Å; L126-I315 HydrophobicContact CD2-CG2 4.28Å |
| 127 | Q | 95.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 20% | 0.201 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 127.7 | 179.3 | -56.9 | -53.4 | -55 | 0 | 0 | 110.3 | M125 T130 E132 Q133 R135 V306 | M125-Q127 PolarHBondContact O-N 2.87Å; M125-Q127 PolarHBondContact O-NE2 3.38Å; Q127-T130 WeakPolarHBondContact CB-OG1 3.4Å; Q127-E132 HydrophobicContact CB-CG 4.33Å; Q127-E132 WeakPolarHBondContact CB-O 3.39Å; Q127-E132 HydrophobicContact CG-CG 4.14Å; Q127-Q133 PolarHBondContact N-O 2.9Å; Q127-R135 HydrophobicContact CG-CB 3.76Å; Q127-V306 VanDerWaalsContact O-CB 3.23Å; Q127-V306 WeakPolarHBondContact O-CB 3.38Å; Q127-V306 VanDerWaalsContact O-CG2 3.27Å; Q127-V306 WeakPolarHBondContact O-CG2 3.43Å |
| 128 | Q | 91.4 | Very high | 91.9 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -98.6 | 142.2 | 175.9 | -72.4 | 171.3 | 84.9 | 0 | 0 | 110 | T130 V306 N308 V313 | Q128-T130 VanDerWaalsContact C-N 3.25Å; Q128-T130 PolarHBondContact O-N 2.87Å; Q128-V306 HydrophobicContact CG-CB 4.43Å; Q128-V306 HydrophobicContact CG-CG1 3.67Å; Q128-N308 PolarHBondContact OE1-OD1 3.34Å; Q128-V313 HydrophobicContact CG-CG1 4.11Å |
| 129 | N | 83.5 | Confident | 92.5 | Very high | 166 Ų | 166 | 56.1 Ų | 56.1 | 89% | 0.888 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 58.8 | 28.5 | 173.6 | -51 | -40.4 | 0 | 0 | 0 | 115.3 | ||
| 130 | T | 85.1 | Confident | 92.6 | Very high | 75 Ų | 75 | 55.4 Ų | 55.4 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -122.9 | 171.6 | 173.2 | 75.2 | 0 | 0 | 0 | 0 | 111.4 | Q127 Q128 E132 | Q127-T130 WeakPolarHBondContact CB-OG1 3.4Å; Q128-T130 VanDerWaalsContact C-N 3.25Å; Q128-T130 PolarHBondContact O-N 2.87Å; T130-E132 PolarHBondContact O-N 3.37Å; T130-E132 VanDerWaalsContact OG1-CG 3.28Å; T130-E132 WeakPolarHBondContact OG1-CG 3.48Å; T130-E132 PolarHBondContact OG1-N 3.28Å; T130-E132 PolarHBondContact OG1-O 2.89Å |
| 131 | G | 85.4 | Confident | 92.7 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 64% | 0.639 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -76 | -2.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S175 | G131-S175 WeakPolarHBondContact O-CB 3.46Š|
| 132 | E | 92.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | trans | -115.8 | 139.4 | 174 | 53.6 | -170.6 | -136.7 | 0 | 0 | 108.3 | Q127 T130 R135 G173 S190 | Q127-E132 HydrophobicContact CB-CG 4.33Å; Q127-E132 WeakPolarHBondContact CB-O 3.39Å; Q127-E132 HydrophobicContact CG-CG 4.14Å; T130-E132 PolarHBondContact O-N 3.37Å; T130-E132 VanDerWaalsContact OG1-CG 3.28Å; T130-E132 WeakPolarHBondContact OG1-CG 3.48Å; T130-E132 PolarHBondContact OG1-N 3.28Å; T130-E132 PolarHBondContact OG1-O 2.89Å; E132-R135 WeakPolarHBondContact OE1-CD 3.49Å; E132-R135 IonicContact OE1-NH1 3.73Å; E132-R135 PolarHBondContact OE1-NH1 2.94Å; E132-G173 WeakPolarHBondContact OE2-CA 3.28Å; E132-S190 WeakPolarHBondContact OE2-CB 3.45Å; E132-S190 PolarHBondContact OE2-OG 2.91Å | ||
| 133 | Q | 93.5 | Very high | 92.6 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -93.3 | -25.8 | 174.5 | -71.5 | 94.8 | -22.1 | 0 | 0 | 111.8 | L126 Q127 F174 F176 P304 V306 I315 | L126-Q133 WeakPolarHBondContact CA-O 3.46Å; Q127-Q133 PolarHBondContact N-O 2.9Å; Q133-F174 PolarHBondContact N-O 3.04Å; Q133-F176 HydrophobicContact CB-CD2 4.18Å; Q133-F176 PolarHBondContact NE2-O 2.88Å; Q133-P304 PolarHBondContact NE2-O 2.92Å; Q133-V306 HydrophobicContact CB-CG2 3.59Å; Q133-V306 HydrophobicContact CG-CG2 3.83Å; Q133-V306 WeakPolarHBondContact O-CG2 3.47Å; Q133-I315 HydrophobicContact CB-CD1 3.93Å; Q133-I315 HydrophobicContact CG-CD1 4.35Å |
| 134 | I | 95.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.3 | -177.2 | -47.6 | -179.4 | 0 | 0 | 0 | 109.1 | F73 L124 L126 F174 F176 | F73-I134 HydrophobicContact CE1-CD1 3.61Å; F73-I134 HydrophobicContact CZ-CD1 3.64Å; F73-I134 HydrophobicContact CZ-CG1 4.5Å; L124-I134 HydrophobicContact CB-CG2 4.2Å; L124-I134 HydrophobicContact CD2-CG2 4.14Å; L126-I134 HydrophobicContact CD2-CG1 4.24Å; I134-F174 HydrophobicContact CB-CB 4.48Å; I134-F174 PolarHBondContact N-O 2.94Å; I134-F174 PolarHBondContact O-N 2.79Å; I134-F176 HydrophobicContact CB-CE2 4.23Å; I134-F176 HydrophobicContact CD1-CD2 4.31Å; I134-F176 HydrophobicContact CD1-CE2 3.43Å; I134-F176 VanDerWaalsContact CD1-CE2 3.43Å; I134-F176 HydrophobicContact CD1-CZ 3.67Å; I134-F176 HydrophobicContact CG1-CD2 4.36Å; I134-F176 HydrophobicContact CG1-CE2 3.7Å; I134-F176 HydrophobicContact CG1-CZ 4.42Å |
| 135 | R | 95.4 | Very high | 92.3 | Very high | 93 Ų | 93 | 48.7 Ų | 48.7 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123 | 173.2 | -169.3 | 176.7 | -177.5 | 139.9 | -9.2 | 110.3 | L124 M125 Q127 E132 D171 | L124-R135 WeakPolarHBondContact CA-O 3.42Å; M125-R135 PolarHBondContact N-O 2.76Å; M125-R135 PolarHBondContact O-N 3.42Å; Q127-R135 HydrophobicContact CG-CB 3.76Å; E132-R135 WeakPolarHBondContact OE1-CD 3.49Å; E132-R135 IonicContact OE1-NH1 3.73Å; E132-R135 PolarHBondContact OE1-NH1 2.94Å; R135-D171 WeakPolarHBondContact CG-OD1 3.4Å; R135-D171 IonicContact CZ-OD1 2.83Å; R135-D171 IonicContact CZ-OD2 3.32Å; R135-D171 IonicContact NE-OD1 3.96Å; R135-D171 PolarHBondContact NE-OD1 3.24Å; R135-D171 IonicContact NE-OD2 3.77Å; R135-D171 PolarHBondContact NE-OD2 3.39Å; R135-D171 IonicContact NH2-OD1 2.75Å; R135-D171 PolarHBondContact NH2-OD1 2.78Å; R135-D171 IonicContact NH2-OD2 3.7Å; R135-D171 PolarHBondContact NH2-OD2 2.94Å |
| 136 | L | 94.9 | Very high | 92.1 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.2 | 170 | 172 | 58.5 | 0 | 0 | 0 | 108.8 | F122 R123 L124 A138 D171 I172 F174 | F122-L136 HydrophobicContact CD1-CD1 4.44Å; F122-L136 HydrophobicContact CD2-CD1 4.34Å; F122-L136 HydrophobicContact CE1-CD1 3.97Å; F122-L136 HydrophobicContact CE2-CD1 3.87Å; F122-L136 HydrophobicContact CZ-CD1 3.66Å; R123-L136 WeakPolarHBondContact O-CA 3.45Å; L124-L136 HydrophobicContact CD2-CB 3.83Å; L124-L136 HydrophobicContact CD2-CD1 3.85Å; L124-L136 HydrophobicContact CD2-CG 4.33Å; L124-L136 HydrophobicContact CG-CD1 4.42Å; L136-A138 HydrophobicContact CD1-CB 4.45Å; L136-D171 WeakPolarHBondContact O-CA 3.35Å; L136-I172 HydrophobicContact CB-CB 4.41Å; L136-I172 PolarHBondContact N-O 2.83Å; L136-I172 PolarHBondContact O-N 3.25Å; L136-F174 HydrophobicContact CB-CE2 3.92Å |
| 137 | S | 95.3 | Very high | 91.7 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.1 | 164.7 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | H121 F122 R123 F170 | H121-S137 PolarHBondContact CD2-O 2.84Å; F122-S137 WeakPolarHBondContact CA-O 3.33Å; R123-S137 PolarHBondContact N-O 2.86Å; R123-S137 PolarHBondContact O-N 2.84Å; S137-F170 WeakPolarHBondContact CA-O 3.48Å |
| 138 | A | 94.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F119 H121 F122 L136 E169 F170 | F119-A138 HydrophobicContact CD1-CB 3.92Å; F119-A138 HydrophobicContact CE1-CB 3.98Å; H121-A138 CarbonylContact O-C 3.53Å; H121-A138 WeakPolarHBondContact O-CA 3.37Å; F122-A138 HydrophobicContact CD2-CB 3.7Å; F122-A138 HydrophobicContact CE2-CB 4.28Å; F122-A138 HydrophobicContact CG-CB 4.4Å; L136-A138 HydrophobicContact CD1-CB 4.45Å; A138-E169 WeakPolarHBondContact O-CA 3.23Å; A138-F170 HydrophobicContact CB-CB 4.22Å; A138-F170 HydrophobicContact CB-CD2 4.36Å; A138-F170 PolarHBondContact N-O 3.45Å; A138-F170 PolarHBondContact O-N 2.86Å |
| 139 | R | 94.1 | Very high | 91.2 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.6 | 174.4 | -178.4 | 174.1 | 178.9 | 143.5 | -7.7 | 110.8 | F119 D120 H121 D167 I168 E169 | F119-R139 CarbonylContact C-O 3.58Å; F119-R139 WeakPolarHBondContact CA-O 3.37Å; D120-R139 PolarHBondContact N-O 2.83Å; H121-R139 HydrophobicContact CB-CB 4.01Å; H121-R139 PolarHBondContact N-O 2.81Å; H121-R139 PolarHBondContact O-N 2.53Å; R139-D167 IonicContact CZ-OD1 3.98Å; R139-D167 IonicContact NH2-OD1 3.61Å; R139-D167 PolarHBondContact NH2-OD1 2.84Å; R139-I168 CarbonylContact C-O 3.57Å; R139-I168 VanDerWaalsContact CA-O 3.29Å; R139-I168 WeakPolarHBondContact CA-O 3.42Å; R139-E169 HydrophobicContact CB-CG 4.04Å; R139-E169 WeakPolarHBondContact CD-OE1 3.45Å; R139-E169 HydrophobicContact CG-CG 3.78Å; R139-E169 IonicContact CZ-OE1 3.19Å; R139-E169 IonicContact NE-OE1 2.69Å; R139-E169 IonicContact NH1-OE1 2.83Å; R139-E169 PolarHBondContact NH1-OE1 2.81Å |
| 140 | I | 91 | Very high | 91.3 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.9 | 171.6 | -54.1 | 167.7 | 0 | 0 | 0 | 108.4 | F116 F119 R142 L143 I168 F170 | F116-I140 HydrophobicContact CD2-CG2 4.16Å; F116-I140 HydrophobicContact CE2-CD1 3.98Å; F116-I140 HydrophobicContact CE2-CG1 4.16Å; F116-I140 HydrophobicContact CE2-CG2 3.94Å; F119-I140 HydrophobicContact CD1-CD1 4.4Å; F119-I140 HydrophobicContact CD1-CG1 3.52Å; F119-I140 HydrophobicContact CE1-CD1 3.76Å; F119-I140 HydrophobicContact CE1-CG1 3.37Å; F119-I140 HydrophobicContact CG-CG1 4.35Å; F119-I140 HydrophobicContact CZ-CD1 4.12Å; F119-I140 HydrophobicContact CZ-CG1 4.09Å; I140-R142 WeakPolarHBondContact CG2-O 3.29Å; I140-L143 HydrophobicContact CG2-CB 4.46Å; I140-I168 HydrophobicContact CB-CB 4.36Å; I140-I168 PolarHBondContact N-O 3.09Å; I140-I168 PolarHBondContact O-N 2.72Å; I140-F170 HydrophobicContact CD1-CE2 3.53Å; I140-F170 HydrophobicContact CD1-CZ 3.68Å; I140-F170 HydrophobicContact CG1-CE2 3.86Å |
| 141 | G | 91.2 | Very high | 91.1 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 16% | 0.155 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | -47.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D120 S166 D167 | D120-G141 VanDerWaalsContact OD2-CA 3.26Å; D120-G141 WeakPolarHBondContact OD2-CA 3.32Å; D120-G141 PolarHBondContact OD2-N 3.3Å; G141-S166 CarbonylContact O-C 3.59Å; G141-S166 WeakPolarHBondContact O-CA 3.35Å; G141-S166 WeakPolarHBondContact O-CB 3.37Å; G141-D167 PolarHBondContact O-N 3.14Å |
| 142 | R | 91.8 | Very high | 90.7 | Very high | 102 Ų | 102 | 35.4 Ų | 35.4 | 39% | 0.385 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 140.8 | 176.8 | -161.5 | -175.3 | 180 | -162 | 0.4 | 113.5 | D117 I140 D164 A165 | D117-R142 HydrophobicContact CB-CB 4.28Å; D117-R142 PolarHBondContact N-O 3.04Å; D117-R142 WeakPolarHBondContact OD2-CB 3.49Å; I140-R142 WeakPolarHBondContact CG2-O 3.29Å; R142-D164 WeakPolarHBondContact CG-OD1 3.45Å; R142-D164 IonicContact CZ-OD1 3.67Å; R142-D164 IonicContact CZ-OD2 2.89Å; R142-D164 IonicContact NE-OD1 3.91Å; R142-D164 PolarHBondContact NE-OD1 2.89Å; R142-D164 IonicContact NE-OD2 2.72Å; R142-D164 IonicContact NH2-OD1 2.79Å; R142-D164 PolarHBondContact NH2-OD1 2.86Å; R142-D164 IonicContact NH2-OD2 3.7Å; R142-D164 PolarHBondContact NH2-OD2 3.01Å; R142-A165 CarbonylContact C-O 3.55Å; R142-A165 WeakPolarHBondContact CA-O 3.35Å |
| 143 | L | 91.1 | Very high | 89.8 | Confident | 35 Ų | 35 | 40.6 Ų | 40.6 | 18% | 0.183 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 123.9 | 170 | 175 | 65.8 | 0 | 0 | 0 | 109.1 | V113 F116 I140 L145 A165 I168 | V113-L143 HydrophobicContact CG1-CD1 4.24Å; F116-L143 HydrophobicContact CB-CD1 4.24Å; F116-L143 HydrophobicContact CD2-CD1 4.14Å; I140-L143 HydrophobicContact CG2-CB 4.46Å; L143-L145 HydrophobicContact CD1-CD2 3.87Å; L143-L145 HydrophobicContact CD1-CG 4.41Å; L143-L145 HydrophobicContact CD2-CD1 4.4Å; L143-L145 HydrophobicContact CD2-CD2 4.39Å; L143-L145 HydrophobicContact CD2-CG 4.31Å; L143-L145 HydrophobicContact CG-CD2 4.14Å; L143-L145 HydrophobicContact CG-CG 4.13Å; L143-A165 PolarHBondContact N-O 2.87Å; L143-A165 PolarHBondContact O-N 2.8Å; L143-I168 HydrophobicContact CB-CD1 3.75Å; L143-I168 HydrophobicContact CD2-CD1 4.14Å |
| 144 | A | 92.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A114 T115 T162 V163 | A114-A144 HydrophobicContact CB-CB 4.21Å; A114-A144 WeakPolarHBondContact CB-O 3.39Å; A114-A144 PolarHBondContact N-O 3.13Å; T115-A144 HydrophobicContact CG2-CB 4.42Å; T115-A144 PolarHBondContact N-O 3.26Å; T115-A144 PolarHBondContact O-N 2.93Å; T115-A144 WeakPolarHBondContact OG1-CB 3.42Å; A144-T162 HydrophobicContact CB-CG2 4.02Å; A144-V163 CarbonylContact C-O 3.53Å; A144-V163 VanDerWaalsContact CA-O 3.28Å; A144-V163 WeakPolarHBondContact CA-O 3.48Å |
| 145 | L | 91.2 | Very high | 87.7 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.7 | 176.9 | -60.9 | -178.5 | 0 | 0 | 0 | 110.2 | L111 K112 V113 L143 V147 T162 V163 | L111-L145 HydrophobicContact CD2-CD1 4.44Å; L111-L145 HydrophobicContact CD2-CD2 4.18Å; K112-L145 CarbonylContact O-C 3.58Å; K112-L145 WeakPolarHBondContact O-CA 3.44Å; V113-L145 HydrophobicContact CB-CD2 4.39Å; V113-L145 HydrophobicContact CG2-CD2 3.87Å; L143-L145 HydrophobicContact CD1-CD2 3.87Å; L143-L145 HydrophobicContact CD1-CG 4.41Å; L143-L145 HydrophobicContact CD2-CD1 4.4Å; L143-L145 HydrophobicContact CD2-CD2 4.39Å; L143-L145 HydrophobicContact CD2-CG 4.31Å; L143-L145 HydrophobicContact CG-CD2 4.14Å; L143-L145 HydrophobicContact CG-CG 4.13Å; L145-V147 HydrophobicContact CB-CG2 4.41Å; L145-T162 CarbonylContact O-C 3.48Å; L145-T162 WeakPolarHBondContact O-CA 3.37Å; L145-V163 PolarHBondContact N-O 3.01Å; L145-V163 PolarHBondContact O-N 2.87Å |
| 146 | T | 92 | Very high | 86.5 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.9 | 166.3 | -52.4 | 0 | 0 | 0 | 0 | 108.6 | K112 T160 T162 E203 | K112-T146 PolarHBondContact N-O 2.94Å; K112-T146 PolarHBondContact O-N 2.87Å; T146-T160 HydrophobicContact CG2-CG2 3.54Å; T146-T162 WeakPolarHBondContact CA-OG1 3.23Å; T146-T162 WeakPolarHBondContact CB-OG1 3.38Å; T146-T162 PolarHBondContact OG1-OG1 2.83Å; T146-E203 WeakPolarHBondContact CG2-OE2 3.39Å |
| 147 | V | 89.1 | Confident | 85.9 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.1 | 179.8 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | I108 E110 L145 V149 T160 F161 | I108-V147 HydrophobicContact CG2-CG1 4.03Å; E110-V147 WeakPolarHBondContact O-CA 3.36Å; L145-V147 HydrophobicContact CB-CG2 4.41Å; V147-V149 HydrophobicContact CG1-CG1 3.93Å; V147-T160 WeakPolarHBondContact O-CA 3.13Å; V147-F161 HydrophobicContact CB-CD2 4.42Å; V147-F161 HydrophobicContact CB-CE1 4.24Å; V147-F161 HydrophobicContact CB-CE2 3.98Å; V147-F161 HydrophobicContact CB-CZ 3.89Å; V147-F161 HydrophobicContact CG1-CE1 4.36Å; V147-F161 HydrophobicContact CG1-CZ 4.04Å; V147-F161 HydrophobicContact CG2-CE2 4.29Å; V147-F161 PolarHBondContact N-O 3.37Å; V147-F161 PolarHBondContact O-N 2.86Å |
| 148 | T | 89.3 | Confident | 85.5 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.3 | 170.4 | -60.5 | 0 | 0 | 0 | 0 | 109.3 | E109 E110 R158 V159 T160 | E109-T148 HydrophobicContact CB-CG2 4.39Å; E109-T148 PolarHBondContact N-O 3.42Å; E109-T148 WeakPolarHBondContact OE2-CG2 3.3Å; E110-T148 PolarHBondContact N-O 3.47Å; E110-T148 PolarHBondContact O-N 3.43Å; T148-R158 HydrophobicContact CG2-CG 4.14Å; T148-V159 WeakPolarHBondContact CA-O 3.46Å; T148-T160 WeakPolarHBondContact OG1-CG2 3.39Å; T148-T160 PolarHBondContact OG1-OG1 2.72Å |
| 149 | V | 87.2 | Confident | 85.2 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147 | 178.7 | -60 | 0 | 0 | 0 | 0 | 111.2 | I106 N107 I108 V147 R158 V159 F161 | I106-V149 HydrophobicContact CG2-CB 3.59Å; I106-V149 HydrophobicContact CG2-CG1 3.88Å; I106-V149 HydrophobicContact CG2-CG2 4.09Å; N107-V149 CarbonylContact O-C 3.55Å; N107-V149 VanDerWaalsContact O-CA 3.24Å; N107-V149 WeakPolarHBondContact O-CA 3.37Å; I108-V149 HydrophobicContact CG1-CG1 4.26Å; V147-V149 HydrophobicContact CG1-CG1 3.93Å; V149-R158 CarbonylContact O-C 3.38Å; V149-R158 VanDerWaalsContact O-CA 3.24Å; V149-R158 WeakPolarHBondContact O-CA 3.21Å; V149-V159 HydrophobicContact CG2-CB 4.04Å; V149-V159 HydrophobicContact CG2-CG2 4.34Å; V149-V159 PolarHBondContact N-O 3.49Å; V149-V159 PolarHBondContact O-N 2.98Å; V149-F161 HydrophobicContact CG1-CE1 4.07Å; V149-F161 HydrophobicContact CG2-CE1 3.91Å |
| 150 | S | 86 | Confident | 85 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 154.1 | 164.2 | 58 | 0 | 0 | 0 | 0 | 111.1 | I106 N107 E109 R157 | I106-S150 WeakPolarHBondContact CA-O 3.28Å; N107-S150 PolarHBondContact N-O 3.04Å; N107-S150 PolarHBondContact O-N 2.75Å; E109-S150 VanDerWaalsContact CD-OG 3.23Å; E109-S150 WeakPolarHBondContact OE1-CB 3.21Å; E109-S150 PolarHBondContact OE1-OG 3.18Å; S150-R157 CarbonylContact C-O 3.22Å; S150-R157 VanDerWaalsContact CA-O 3.23Å; S150-R157 WeakPolarHBondContact CA-O 3.4Å; S150-R157 WeakPolarHBondContact CB-O 3.17Å |
| 151 | T | 80.1 | Confident | 84.9 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 17% | 0.172 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.9 | -179.1 | -177.1 | 0 | 0 | 0 | 0 | 112.4 | H105 R153 I156 R157 | H105-T151 WeakPolarHBondContact O-CA 3.26Å; H105-T151 VanDerWaalsContact O-CB 3.26Å; H105-T151 WeakPolarHBondContact O-CB 3.38Å; H105-T151 PolarHBondContact O-OG1 3.07Å; T151-R153 HydrophobicContact CG2-CB 4.21Å; T151-R153 PolarHBondContact O-N 2.74Å; T151-R153 VanDerWaalsContact O-N 3.17Å; T151-I156 HydrophobicContact CG2-CG2 4.43Å; T151-I156 WeakPolarHBondContact CG2-O 3.43Å; T151-R157 PolarHBondContact N-O 2.68Å |
| 152 | N | 76.8 | Confident | 84.9 | Confident | 104 Ų | 104 | 56.5 Ų | 56.5 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -74.3 | 3.9 | -178.4 | 69.9 | -20.4 | 0 | 0 | 0 | 114.4 | H105 | H105-N152 PolarHBondContact N-OD1 2.87Š|
| 153 | R | 73.4 | Confident | 84.8 | Confident | 127 Ų | 127 | 52.6 Ų | 52.6 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | trans | -85.5 | 117.7 | -177 | -72.4 | -76.2 | 170.1 | -179.4 | -9.2 | 110.8 | R103 A104 T151 L155 I156 | R103-R153 PolarHBondContact O-NE 2.91Å; R103-R153 PolarHBondContact O-NH2 2.93Å; A104-R153 HydrophobicContact CB-CG 3.73Å; T151-R153 HydrophobicContact CG2-CB 4.21Å; T151-R153 PolarHBondContact O-N 2.74Å; T151-R153 VanDerWaalsContact O-N 3.17Å; R153-L155 PolarHBondContact O-N 3.26Å; R153-I156 CarbonylContact O-C 3.53Å; R153-I156 PolarHBondContact O-N 2.9Å | ||
| 154 | K | 71.5 | Confident | 84.9 | Confident | 197 Ų | 197 | 51.4 Ų | 51.4 | 86% | 0.857 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | -27 | -178.1 | -68.4 | -172.7 | 177 | -176.4 | 0 | 115.8 | ||
| 155 | L | 72.5 | Confident | 84.8 | Confident | 114 Ų | 114 | 51.6 Ų | 51.6 | 60% | 0.597 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -11.2 | -172.4 | -55.9 | 168.9 | 0 | 0 | 0 | 114.7 | R153 G207 S208 I211 | R153-L155 PolarHBondContact O-N 3.26Å; L155-G207 CarbonylContact O-C 3.34Å; L155-G207 VanDerWaalsContact O-CA 3.25Å; L155-G207 WeakPolarHBondContact O-CA 3.15Å; L155-S208 PolarHBondContact O-N 2.79Å; L155-I211 HydrophobicContact CB-CD1 3.49Å; L155-I211 VanDerWaalsContact CB-CD1 3.49Å; L155-I211 HydrophobicContact CD1-CD1 3.6Å; L155-I211 HydrophobicContact CG-CD1 4.13Å |
| 156 | I | 71.4 | Confident | 84.8 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 8% | 0.077 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 110.2 | 168.4 | -63.6 | -175.3 | 0 | 0 | 0 | 106.4 | T151 R153 V159 L205 I211 W212 | T151-I156 HydrophobicContact CG2-CG2 4.43Å; T151-I156 WeakPolarHBondContact CG2-O 3.43Å; R153-I156 CarbonylContact O-C 3.53Å; R153-I156 PolarHBondContact O-N 2.9Å; I156-V159 HydrophobicContact CG2-CG2 3.32Å; I156-L205 HydrophobicContact CG2-CD1 4.17Å; I156-I211 HydrophobicContact CD1-CB 3.97Å; I156-I211 HydrophobicContact CD1-CG2 3.69Å; I156-I211 HydrophobicContact CG1-CB 4.39Å; I156-I211 HydrophobicContact CG1-CG2 4.28Å; I156-W212 HydrophobicContact CD1-CB 4.23Å |
| 157 | R | 82.3 | Confident | 84.7 | Confident | 174 Ų | 174 | 51.4 Ų | 51.4 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -50.5 | -177.6 | -62.5 | -177.3 | -178 | -173.9 | 0.4 | 111.9 | S150 T151 E206 | S150-R157 CarbonylContact C-O 3.22Å; S150-R157 VanDerWaalsContact CA-O 3.23Å; S150-R157 WeakPolarHBondContact CA-O 3.4Å; S150-R157 WeakPolarHBondContact CB-O 3.17Å; T151-R157 PolarHBondContact N-O 2.68Å; R157-E206 HydrophobicContact CB-CB 4.3Å; R157-E206 PolarHBondContact N-O 2.83Å |
| 158 | R | 87 | Confident | 84.8 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 36% | 0.362 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 145.3 | 178.2 | 176.5 | 175.7 | -79.3 | 132.3 | -2.8 | 110.6 | E109 T148 V149 E206 | E109-R158 VanDerWaalsContact CD-NH2 3.33Å; E109-R158 IonicContact OE1-CZ 3.43Å; E109-R158 IonicContact OE1-NE 2.71Å; E109-R158 IonicContact OE1-NH2 3.04Å; E109-R158 PolarHBondContact OE1-NH2 2.96Å; E109-R158 IonicContact OE2-CZ 3.32Å; E109-R158 IonicContact OE2-NE 3.5Å; E109-R158 PolarHBondContact OE2-NE 2.6Å; E109-R158 IonicContact OE2-NH2 3.35Å; E109-R158 PolarHBondContact OE2-NH2 2.87Å; T148-R158 HydrophobicContact CG2-CG 4.14Å; V149-R158 CarbonylContact O-C 3.38Å; V149-R158 VanDerWaalsContact O-CA 3.24Å; V149-R158 WeakPolarHBondContact O-CA 3.21Å; R158-E206 HydrophobicContact CB-CB 4.33Å; R158-E206 HydrophobicContact CB-CG 4.38Å; R158-E206 IonicContact NH1-OE1 3.29Å; R158-E206 PolarHBondContact O-N 2.95Å |
| 159 | V | 87.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 133.3 | 171.7 | -161.8 | 0 | 0 | 0 | 0 | 109.2 | T148 V149 I156 F161 T202 R204 L205 W212 | T148-V159 WeakPolarHBondContact CA-O 3.46Å; V149-V159 HydrophobicContact CG2-CB 4.04Å; V149-V159 HydrophobicContact CG2-CG2 4.34Å; V149-V159 PolarHBondContact N-O 3.49Å; V149-V159 PolarHBondContact O-N 2.98Å; I156-V159 HydrophobicContact CG2-CG2 3.32Å; V159-F161 HydrophobicContact CB-CD1 4.27Å; V159-F161 HydrophobicContact CG1-CB 4.43Å; V159-F161 HydrophobicContact CG1-CD1 4.03Å; V159-T202 HydrophobicContact CG1-CG2 4.18Å; V159-R204 WeakPolarHBondContact CA-O 3.49Å; V159-R204 WeakPolarHBondContact CG1-O 3.15Å; V159-L205 HydrophobicContact CB-CD1 4.48Å; V159-L205 HydrophobicContact CG1-CD1 4.18Å; V159-L205 HydrophobicContact CG2-CD1 3.73Å; V159-W212 HydrophobicContact CG1-CD2 4.2Å; V159-W212 HydrophobicContact CG1-CE3 4Å; V159-W212 HydrophobicContact CG1-CH2 4.13Å; V159-W212 HydrophobicContact CG1-CZ2 4.31Å; V159-W212 HydrophobicContact CG1-CZ3 3.97Å; V159-W212 HydrophobicContact CG2-CE3 4.23Å; V159-W212 HydrophobicContact CG2-CZ3 4.44Å |
| 160 | T | 89.7 | Confident | 85 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 118.2 | 162.9 | -57 | 0 | 0 | 0 | 0 | 108.1 | T146 V147 T148 E203 R204 | T146-T160 HydrophobicContact CG2-CG2 3.54Å; V147-T160 WeakPolarHBondContact O-CA 3.13Å; T148-T160 WeakPolarHBondContact OG1-CG2 3.39Å; T148-T160 PolarHBondContact OG1-OG1 2.72Å; T160-E203 HydrophobicContact CG2-CB 4.23Å; T160-E203 WeakPolarHBondContact CG2-OE2 3.23Å; T160-E203 PolarHBondContact O-N 2.95Å; T160-R204 PolarHBondContact N-O 3.02Å; T160-R204 PolarHBondContact O-N 2.94Å; T160-R204 VanDerWaalsContact O-N 3.14Å |
| 161 | F | 89.5 | Confident | 85.4 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142 | -178.5 | 64 | -90.9 | 0 | 0 | 0 | 110.7 | V147 V149 V159 V163 I200 F201 W212 L219 | V147-F161 HydrophobicContact CB-CD2 4.42Å; V147-F161 HydrophobicContact CB-CE1 4.24Å; V147-F161 HydrophobicContact CB-CE2 3.98Å; V147-F161 HydrophobicContact CB-CZ 3.89Å; V147-F161 HydrophobicContact CG1-CE1 4.36Å; V147-F161 HydrophobicContact CG1-CZ 4.04Å; V147-F161 HydrophobicContact CG2-CE2 4.29Å; V147-F161 PolarHBondContact N-O 3.37Å; V147-F161 PolarHBondContact O-N 2.86Å; V149-F161 HydrophobicContact CG1-CE1 4.07Å; V149-F161 HydrophobicContact CG2-CE1 3.91Å; V159-F161 HydrophobicContact CB-CD1 4.27Å; V159-F161 HydrophobicContact CG1-CB 4.43Å; V159-F161 HydrophobicContact CG1-CD1 4.03Å; F161-V163 HydrophobicContact CD2-CG2 3.77Å; F161-V163 HydrophobicContact CE2-CG2 3.6Å; F161-I200 HydrophobicContact CB-CG2 4.32Å; F161-I200 HydrophobicContact CD2-CG2 3.9Å; F161-I200 HydrophobicContact CG-CG2 4.46Å; F161-F201 CarbonylContact C-O 3.54Å; F161-F201 WeakPolarHBondContact CA-O 3.35Å; F161-F201 WeakPolarHBondContact CB-O 3.38Å; F161-W212 HydrophobicContact CB-CH2 3.83Å; F161-W212 HydrophobicContact CB-CZ2 3.8Å; F161-W212 AromaticContact CD1-CH2 3.59Å; F161-W212 HydrophobicContact CD1-CH2 3.59Å; F161-W212 HydrophobicContact CD1-CZ2 4.41Å; F161-W212 HydrophobicContact CD1-CZ3 4.16Å; F161-W212 HydrophobicContact CD2-CH2 4.19Å; F161-W212 HydrophobicContact CE1-CH2 4.14Å; F161-W212 HydrophobicContact CE1-CZ3 4.46Å; F161-W212 AromaticContact CG-CH2 3.61Å; F161-W212 HydrophobicContact CG-CH2 3.61Å; F161-W212 HydrophobicContact CG-CZ2 4.11Å; F161-L219 HydrophobicContact CE2-CD1 4.4Å; F161-L219 HydrophobicContact CZ-CD1 4.27Å |
| 162 | T | 91.1 | Very high | 86 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.6 | 176.4 | -78.1 | 0 | 0 | 0 | 0 | 110.3 | A144 L145 T146 I200 F201 E203 | A144-T162 HydrophobicContact CB-CG2 4.02Å; L145-T162 CarbonylContact O-C 3.48Å; L145-T162 WeakPolarHBondContact O-CA 3.37Å; T146-T162 WeakPolarHBondContact CA-OG1 3.23Å; T146-T162 WeakPolarHBondContact CB-OG1 3.38Å; T146-T162 PolarHBondContact OG1-OG1 2.83Å; T162-I200 WeakPolarHBondContact O-CA 3.38Å; T162-F201 PolarHBondContact N-O 2.88Å; T162-F201 PolarHBondContact O-N 2.9Å; T162-E203 VanDerWaalsContact CB-OE1 3.32Å; T162-E203 WeakPolarHBondContact CB-OE1 3.06Å; T162-E203 PolarHBondContact OG1-OE1 2.84Å |
| 163 | V | 89.6 | Confident | 86.8 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 108.6 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | A144 L145 F161 V198 I200 L223 | A144-V163 CarbonylContact C-O 3.53Å; A144-V163 VanDerWaalsContact CA-O 3.28Å; A144-V163 WeakPolarHBondContact CA-O 3.48Å; L145-V163 PolarHBondContact N-O 3.01Å; L145-V163 PolarHBondContact O-N 2.87Å; F161-V163 HydrophobicContact CD2-CG2 3.77Å; F161-V163 HydrophobicContact CE2-CG2 3.6Å; V163-V198 HydrophobicContact CG1-CG1 4.29Å; V163-I200 HydrophobicContact CG2-CG1 4.47Å; V163-L223 HydrophobicContact CG1-CD2 3.57Å |
| 164 | D | 92.1 | Very high | 87.8 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 109.6 | 179.2 | 175.5 | 18.1 | 0 | 0 | 0 | 108.5 | R142 K199 F201 | R142-D164 WeakPolarHBondContact CG-OD1 3.45Å; R142-D164 IonicContact CZ-OD1 3.67Å; R142-D164 IonicContact CZ-OD2 2.89Å; R142-D164 IonicContact NE-OD1 3.91Å; R142-D164 PolarHBondContact NE-OD1 2.89Å; R142-D164 IonicContact NE-OD2 2.72Å; R142-D164 IonicContact NH2-OD1 2.79Å; R142-D164 PolarHBondContact NH2-OD1 2.86Å; R142-D164 IonicContact NH2-OD2 3.7Å; R142-D164 PolarHBondContact NH2-OD2 3.01Å; D164-K199 HydrophobicContact CB-CB 4.28Å; D164-K199 PolarHBondContact N-O 2.86Å; D164-K199 PolarHBondContact O-N 2.76Å; D164-F201 HydrophobicContact CB-CD2 4.12Å; D164-F201 HydrophobicContact CB-CE2 3.84Å |
| 165 | A | 90.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.2 | -177 | 0 | 0 | 0 | 0 | 0 | 110.6 | R142 L143 I168 I195 R197 | R142-A165 CarbonylContact C-O 3.55Å; R142-A165 WeakPolarHBondContact CA-O 3.35Å; L143-A165 PolarHBondContact N-O 2.87Å; L143-A165 PolarHBondContact O-N 2.8Å; A165-I168 HydrophobicContact CB-CD1 3.85Å; A165-I168 HydrophobicContact CB-CG1 4.25Å; A165-I195 HydrophobicContact CB-CG2 4.16Å; A165-R197 CarbonylContact C-O 3.59Å; A165-R197 WeakPolarHBondContact CA-O 3.47Å |
| 166 | S | 91.8 | Very high | 89.7 | Confident | 15 Ų | 15 | 34 Ų | 34 | 11% | 0.105 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 154.1 | 172.4 | 84.5 | 0 | 0 | 0 | 0 | 112.1 | G141 G196 R197 | G141-S166 CarbonylContact O-C 3.59Å; G141-S166 WeakPolarHBondContact O-CA 3.35Å; G141-S166 WeakPolarHBondContact O-CB 3.37Å; S166-G196 WeakPolarHBondContact O-CA 3.42Å; S166-G196 PolarHBondContact O-N 3.01Å; S166-R197 PolarHBondContact N-O 3.1Å; S166-R197 PolarHBondContact O-N 3.48Å; S166-R197 VanDerWaalsContact O-N 3.15Å; S166-R197 PolarHBondContact OG-NE 2.86Å; S166-R197 PolarHBondContact OG-NH2 2.94Å |
| 167 | D | 90.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 24% | 0.235 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.7 | 64.6 | 175 | -46.1 | -82.4 | 0 | 0 | 0 | 110.9 | R139 G141 G196 R197 | R139-D167 IonicContact CZ-OD1 3.98Å; R139-D167 IonicContact NH2-OD1 3.61Å; R139-D167 PolarHBondContact NH2-OD1 2.84Å; G141-D167 PolarHBondContact O-N 3.14Å; D167-G196 PolarHBondContact O-N 3.19Å; D167-R197 IonicContact OD2-NE 3.96Å; D167-R197 IonicContact OD2-NH2 2.76Å |
| 168 | I | 89.8 | Confident | 90.9 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 7% | 0.067 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.5 | 179.1 | -46.9 | 176.3 | 0 | 0 | 0 | 108.4 | R139 I140 L143 A165 F170 S194 I195 | R139-I168 CarbonylContact C-O 3.57Å; R139-I168 VanDerWaalsContact CA-O 3.29Å; R139-I168 WeakPolarHBondContact CA-O 3.42Å; I140-I168 HydrophobicContact CB-CB 4.36Å; I140-I168 PolarHBondContact N-O 3.09Å; I140-I168 PolarHBondContact O-N 2.72Å; L143-I168 HydrophobicContact CB-CD1 3.75Å; L143-I168 HydrophobicContact CD2-CD1 4.14Å; A165-I168 HydrophobicContact CB-CD1 3.85Å; A165-I168 HydrophobicContact CB-CG1 4.25Å; I168-F170 HydrophobicContact CB-CE2 3.97Å; I168-F170 HydrophobicContact CB-CZ 4.43Å; I168-F170 HydrophobicContact CG2-CD2 4.28Å; I168-F170 HydrophobicContact CG2-CE1 4.49Å; I168-F170 HydrophobicContact CG2-CE2 3.41Å; I168-F170 VanDerWaalsContact CG2-CE2 3.41Å; I168-F170 HydrophobicContact CG2-CZ 3.52Å; I168-S194 CarbonylContact C-O 3.57Å; I168-S194 WeakPolarHBondContact CA-O 3.24Å; I168-I195 HydrophobicContact CG1-CG2 4.48Å; I168-I195 HydrophobicContact CG2-CG1 4.08Å |
| 169 | E | 91.8 | Very high | 90.9 | Very high | 74 Ų | 74 | 24.3 Ų | 24.3 | 35% | 0.346 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.1 | -177.1 | -66.4 | 173.2 | 150.4 | 0 | 0 | 111 | A138 R139 F193 S194 | A138-E169 WeakPolarHBondContact O-CA 3.23Å; R139-E169 HydrophobicContact CB-CG 4.04Å; R139-E169 WeakPolarHBondContact CD-OE1 3.45Å; R139-E169 HydrophobicContact CG-CG 3.78Å; R139-E169 IonicContact CZ-OE1 3.19Å; R139-E169 IonicContact NE-OE1 2.69Å; R139-E169 IonicContact NH1-OE1 2.83Å; R139-E169 PolarHBondContact NH1-OE1 2.81Å; E169-F193 WeakPolarHBondContact O-CA 3.27Å; E169-S194 PolarHBondContact N-O 3.23Å; E169-S194 PolarHBondContact O-N 3.44Å; E169-S194 PolarHBondContact OE2-OG 3.49Å |
| 170 | F | 90.4 | Very high | 90.8 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 21% | 0.206 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 126.7 | -169.7 | -57.3 | -108.3 | 0 | 0 | 0 | 107.9 | S137 A138 I140 I168 F193 | S137-F170 WeakPolarHBondContact CA-O 3.48Å; A138-F170 HydrophobicContact CB-CB 4.22Å; A138-F170 HydrophobicContact CB-CD2 4.36Å; A138-F170 PolarHBondContact N-O 3.45Å; A138-F170 PolarHBondContact O-N 2.86Å; I140-F170 HydrophobicContact CD1-CE2 3.53Å; I140-F170 HydrophobicContact CD1-CZ 3.68Å; I140-F170 HydrophobicContact CG1-CE2 3.86Å; I168-F170 HydrophobicContact CB-CE2 3.97Å; I168-F170 HydrophobicContact CB-CZ 4.43Å; I168-F170 HydrophobicContact CG2-CD2 4.28Å; I168-F170 HydrophobicContact CG2-CE1 4.49Å; I168-F170 HydrophobicContact CG2-CE2 3.41Å; I168-F170 VanDerWaalsContact CG2-CE2 3.41Å; I168-F170 HydrophobicContact CG2-CZ 3.52Å; F170-F193 AromaticContact CD1-CD1 3.65Å; F170-F193 HydrophobicContact CD1-CD1 3.65Å; F170-F193 AromaticContact CD1-CE1 3.34Å; F170-F193 HydrophobicContact CD1-CE1 3.34Å; F170-F193 HydrophobicContact CD1-CZ 4.45Å; F170-F193 AromaticContact CE1-CD1 3.96Å; F170-F193 HydrophobicContact CE1-CD1 3.96Å; F170-F193 AromaticContact CE1-CE1 3.67Å; F170-F193 HydrophobicContact CE1-CE1 3.67Å; F170-F193 HydrophobicContact CG-CD1 4.38Å; F170-F193 HydrophobicContact CG-CE1 4.37Å |
| 171 | D | 93.1 | Very high | 90.4 | Very high | 42 Ų | 42 | 32.7 Ų | 32.7 | 23% | 0.225 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 117.6 | 171.5 | -156.8 | -28.5 | 0 | 0 | 0 | 109.7 | R135 L136 C191 D192 | R135-D171 WeakPolarHBondContact CG-OD1 3.4Å; R135-D171 IonicContact CZ-OD1 2.83Å; R135-D171 IonicContact CZ-OD2 3.32Å; R135-D171 IonicContact NE-OD1 3.96Å; R135-D171 PolarHBondContact NE-OD1 3.24Å; R135-D171 IonicContact NE-OD2 3.77Å; R135-D171 PolarHBondContact NE-OD2 3.39Å; R135-D171 IonicContact NH2-OD1 2.75Å; R135-D171 PolarHBondContact NH2-OD1 2.78Å; R135-D171 IonicContact NH2-OD2 3.7Å; R135-D171 PolarHBondContact NH2-OD2 2.94Å; L136-D171 WeakPolarHBondContact O-CA 3.35Å; D171-C191 CarbonylContact O-C 3.57Å; D171-C191 WeakPolarHBondContact O-CA 3.47Å; D171-D192 PolarHBondContact N-O 3.24Å; D171-D192 VanDerWaalsContact N-O 3.09Å; D171-D192 PolarHBondContact O-N 3.38Å |
| 172 | I | 92.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 113.9 | -170 | -47.9 | -179.7 | 0 | 0 | 0 | 110.4 | L136 F174 I188 F193 L235 | L136-I172 HydrophobicContact CB-CB 4.41Å; L136-I172 PolarHBondContact N-O 2.83Å; L136-I172 PolarHBondContact O-N 3.25Å; I172-F174 HydrophobicContact CB-CE2 3.97Å; I172-F174 HydrophobicContact CB-CZ 4.29Å; I172-F174 HydrophobicContact CG2-CD2 4.32Å; I172-F174 HydrophobicContact CG2-CE1 4.29Å; I172-F174 HydrophobicContact CG2-CE2 3.68Å; I172-F174 HydrophobicContact CG2-CZ 3.67Å; I172-F174 WeakPolarHBondContact O-CD2 3.46Å; I172-F174 WeakPolarHBondContact O-CE2 3.42Å; I172-I188 HydrophobicContact CG2-CD1 4.2Å; I172-I188 HydrophobicContact CG2-CG1 4.18Å; I172-I188 HydrophobicContact CG2-CG2 3.63Å; I172-F193 HydrophobicContact CD1-CZ 4.17Å; I172-L235 HydrophobicContact CD1-CD1 3.78Å |
| 173 | G | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E132 I188 V189 S190 | E132-G173 WeakPolarHBondContact OE2-CA 3.28Å; G173-I188 CarbonylContact O-C 3.54Å; G173-I188 WeakPolarHBondContact O-CA 3.27Å; G173-V189 PolarHBondContact O-N 3.02Å; G173-S190 WeakPolarHBondContact CA-OG 3.16Å; G173-S190 PolarHBondContact N-O 3.24Å; G173-S190 PolarHBondContact N-OG 2.74Å; G173-S190 PolarHBondContact O-N 3.01Å |
| 174 | F | 92.9 | Very high | 89.5 | Confident | 37 Ų | 37 | 35.4 Ų | 35.4 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.4 | 179.1 | -60.8 | -94.9 | 0 | 0 | 0 | 110.5 | Q133 I134 L136 I172 F176 V186 A187 I188 | Q133-F174 PolarHBondContact N-O 3.04Å; I134-F174 HydrophobicContact CB-CB 4.48Å; I134-F174 PolarHBondContact N-O 2.94Å; I134-F174 PolarHBondContact O-N 2.79Å; L136-F174 HydrophobicContact CB-CE2 3.92Å; I172-F174 HydrophobicContact CB-CE2 3.97Å; I172-F174 HydrophobicContact CB-CZ 4.29Å; I172-F174 HydrophobicContact CG2-CD2 4.32Å; I172-F174 HydrophobicContact CG2-CE1 4.29Å; I172-F174 HydrophobicContact CG2-CE2 3.68Å; I172-F174 HydrophobicContact CG2-CZ 3.67Å; I172-F174 WeakPolarHBondContact O-CD2 3.46Å; I172-F174 WeakPolarHBondContact O-CE2 3.42Å; F174-F176 HydrophobicContact CB-CD2 4.5Å; F174-F176 HydrophobicContact CB-CE2 3.63Å; F174-F176 HydrophobicContact CB-CZ 4.14Å; F174-V186 HydrophobicContact CD1-CG1 4.3Å; F174-A187 CarbonylContact C-O 3.58Å; F174-A187 WeakPolarHBondContact CA-O 3.45Å; F174-I188 HydrophobicContact CD1-CD1 4.43Å; F174-I188 HydrophobicContact CD1-CG1 3.77Å; F174-I188 HydrophobicContact CE1-CD1 3.89Å; F174-I188 HydrophobicContact CE1-CG1 3.72Å |
| 175 | S | 93.2 | Very high | 89.3 | Confident | 21 Ų | 21 | 40.4 Ų | 40.4 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 143.8 | 167.2 | 67.7 | 0 | 0 | 0 | 0 | 112 | G131 V186 A187 V189 | G131-S175 WeakPolarHBondContact O-CB 3.46Å; S175-V186 WeakPolarHBondContact O-CA 3.17Å; S175-A187 PolarHBondContact N-O 3.06Å; S175-A187 PolarHBondContact O-N 3.25Å; S175-V189 VanDerWaalsContact CB-CG2 3.49Å; S175-V189 VanDerWaalsContact OG-CG2 3.26Å; S175-V189 WeakPolarHBondContact OG-CG2 3.33Å |
| 176 | F | 90.8 | Very high | 89.1 | Confident | 38 Ų | 38 | 40.6 Ų | 40.6 | 17% | 0.167 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.5 | 179.9 | -64.3 | -99.3 | 0 | 0 | 0 | 109.3 | Q133 I134 F174 L184 R185 V186 P304 | Q133-F176 HydrophobicContact CB-CD2 4.18Å; Q133-F176 PolarHBondContact NE2-O 2.88Å; I134-F176 HydrophobicContact CB-CE2 4.23Å; I134-F176 HydrophobicContact CD1-CD2 4.31Å; I134-F176 HydrophobicContact CD1-CE2 3.43Å; I134-F176 VanDerWaalsContact CD1-CE2 3.43Å; I134-F176 HydrophobicContact CD1-CZ 3.67Å; I134-F176 HydrophobicContact CG1-CD2 4.36Å; I134-F176 HydrophobicContact CG1-CE2 3.7Å; I134-F176 HydrophobicContact CG1-CZ 4.42Å; F174-F176 HydrophobicContact CB-CD2 4.5Å; F174-F176 HydrophobicContact CB-CE2 3.63Å; F174-F176 HydrophobicContact CB-CZ 4.14Å; F176-L184 HydrophobicContact CB-CD1 4.24Å; F176-L184 HydrophobicContact CD1-CD1 4.17Å; F176-L184 HydrophobicContact CD1-CD2 4.34Å; F176-R185 WeakPolarHBondContact CA-O 3.2Å; F176-V186 HydrophobicContact CD1-CG1 4.36Å; F176-V186 HydrophobicContact CD1-CG2 3.58Å; F176-V186 HydrophobicContact CE1-CB 4.4Å; F176-V186 HydrophobicContact CE1-CG1 3.94Å; F176-V186 HydrophobicContact CE1-CG2 3.55Å; F176-V186 HydrophobicContact CZ-CG1 4.09Å; F176-V186 HydrophobicContact CZ-CG2 4.49Å; F176-P304 HydrophobicContact CB-CB 4.16Å; F176-P304 HydrophobicContact CB-CG 4.12Å |
| 177 | S | 91.2 | Very high | 89 | Confident | 45 Ų | 45 | 42 Ų | 42 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.2 | -178 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | R185 S303 | S177-R185 PolarHBondContact N-O 3.36Å; S177-R185 PolarHBondContact O-N 2.99Å; S177-S303 WeakPolarHBondContact CA-OG 3.39Å |
| 178 | A | 88.6 | Confident | 89 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 132.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L300 S303 | A178-L300 HydrophobicContact CB-CB 3.74Å; A178-L300 HydrophobicContact CB-CD1 3.84Å; A178-L300 HydrophobicContact CB-CG 4.44Å; A178-S303 PolarHBondContact N-OG 3.12Å |
| 179 | S | 86.4 | Confident | 89 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | trans | -71.4 | 160.3 | 164.4 | 98.5 | 0 | 0 | 0 | 0 | 110.3 | G181 G182 E183 | S179-G181 PolarHBondContact O-N 3.2Å; S179-G181 PolarHBondContact OG-N 3.3Å; S179-G181 VanDerWaalsContact OG-N 3.09Å; S179-G182 PolarHBondContact O-N 3.42Å; S179-E183 WeakPolarHBondContact CB-OE2 3.26Å; S179-E183 PolarHBondContact N-O 2.78Å; S179-E183 WeakPolarHBondContact OG-CB 3.3Å; S179-E183 PolarHBondContact OG-N 3.21Å; S179-E183 PolarHBondContact OG-OE2 2.88Å | ||
| 180 | P | 85.5 | Confident | 89 | Confident | 133 Ų | 133 | 42 Ų | 42 | 86% | 0.864 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12.1 | 172.3 | -25.1 | 35.5 | 0 | 0 | 0 | 114.9 | ||
| 181 | G | 82 | Confident | 89 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 66% | 0.66 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -3.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S179 | S179-G181 PolarHBondContact O-N 3.2Å; S179-G181 PolarHBondContact OG-N 3.3Å; S179-G181 VanDerWaalsContact OG-N 3.09Å |
| 182 | G | 84.6 | Confident | 88.9 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 87.3 | 5.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S179 G299 L300 | S179-G182 PolarHBondContact O-N 3.42Å; G182-G299 CarbonylContact O-C 3.59Å; G182-G299 VanDerWaalsContact O-CA 3.3Å; G182-G299 WeakPolarHBondContact O-CA 3.32Å; G182-L300 PolarHBondContact O-N 2.82Å |
| 183 | E | 83.6 | Confident | 88.7 | Confident | 63 Ų | 63 | 43.4 Ų | 43.4 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | trans | -69.7 | 143.3 | 176.6 | -53 | 158.5 | 118.6 | 0 | 0 | 110 | S179 | S179-E183 WeakPolarHBondContact CB-OE2 3.26Å; S179-E183 PolarHBondContact N-O 2.78Å; S179-E183 WeakPolarHBondContact OG-CB 3.3Å; S179-E183 PolarHBondContact OG-N 3.21Å; S179-E183 PolarHBondContact OG-OE2 2.88Å | ||
| 184 | L | 83.1 | Confident | 88.3 | Confident | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.5 | 168.7 | -178.3 | 66.7 | 0 | 0 | 0 | 109.7 | F176 V186 L247 L300 P304 | F176-L184 HydrophobicContact CB-CD1 4.24Å; F176-L184 HydrophobicContact CD1-CD1 4.17Å; F176-L184 HydrophobicContact CD1-CD2 4.34Å; L184-V186 HydrophobicContact CD2-CG2 4.48Å; L184-V186 HydrophobicContact CG-CG2 4.34Å; L184-L247 HydrophobicContact CD2-CD1 3.88Å; L184-L300 HydrophobicContact CB-CD1 3.94Å; L184-L300 HydrophobicContact CD1-CD1 3.78Å; L184-L300 HydrophobicContact CG-CD1 4.49Å; L184-P304 HydrophobicContact CD1-CG 3.84Å |
| 185 | R | 87.2 | Confident | 88 | Confident | 116 Ų | 116 | 43.7 Ų | 43.7 | 44% | 0.438 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.1 | 170.7 | -69.5 | 179.4 | 175.6 | 179.4 | -1 | 110.6 | F176 S177 | F176-R185 WeakPolarHBondContact CA-O 3.2Å; S177-R185 PolarHBondContact N-O 3.36Å; S177-R185 PolarHBondContact O-N 2.99Å |
| 186 | V | 87.8 | Confident | 87.8 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.7 | 179.1 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | F174 S175 F176 L184 P240 V243 | F174-V186 HydrophobicContact CD1-CG1 4.3Å; S175-V186 WeakPolarHBondContact O-CA 3.17Å; F176-V186 HydrophobicContact CD1-CG1 4.36Å; F176-V186 HydrophobicContact CD1-CG2 3.58Å; F176-V186 HydrophobicContact CE1-CB 4.4Å; F176-V186 HydrophobicContact CE1-CG1 3.94Å; F176-V186 HydrophobicContact CE1-CG2 3.55Å; F176-V186 HydrophobicContact CZ-CG1 4.09Å; F176-V186 HydrophobicContact CZ-CG2 4.49Å; L184-V186 HydrophobicContact CD2-CG2 4.48Å; L184-V186 HydrophobicContact CG-CG2 4.34Å; V186-P240 WeakPolarHBondContact O-CB 3.36Å; V186-P240 WeakPolarHBondContact O-CG 3.47Å; V186-V243 HydrophobicContact CB-CB 4.49Å; V186-V243 HydrophobicContact CB-CG1 3.88Å; V186-V243 HydrophobicContact CG2-CG1 3.54Å |
| 187 | A | 90 | Very high | 87.7 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F174 S175 | F174-A187 CarbonylContact C-O 3.58Å; F174-A187 WeakPolarHBondContact CA-O 3.45Å; S175-A187 PolarHBondContact N-O 3.06Å; S175-A187 PolarHBondContact O-N 3.25Å |
| 188 | I | 89.3 | Confident | 87.5 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 106.2 | 176.7 | -68.7 | 169.6 | 0 | 0 | 0 | 108.2 | I172 G173 F174 S190 C191 L235 Q236 V239 | I172-I188 HydrophobicContact CG2-CD1 4.2Å; I172-I188 HydrophobicContact CG2-CG1 4.18Å; I172-I188 HydrophobicContact CG2-CG2 3.63Å; G173-I188 CarbonylContact O-C 3.54Å; G173-I188 WeakPolarHBondContact O-CA 3.27Å; F174-I188 HydrophobicContact CD1-CD1 4.43Å; F174-I188 HydrophobicContact CD1-CG1 3.77Å; F174-I188 HydrophobicContact CE1-CD1 3.89Å; F174-I188 HydrophobicContact CE1-CG1 3.72Å; I188-S190 WeakPolarHBondContact CG2-O 3.4Å; I188-C191 HydrophobicContact CG2-CB 3.93Å; I188-L235 HydrophobicContact CD1-CB 3.8Å; I188-Q236 HydrophobicContact CB-CG 3.9Å; I188-Q236 HydrophobicContact CG2-CG 3.92Å; I188-Q236 PolarHBondContact O-NE2 3.26Å; I188-Q236 VanDerWaalsContact O-NE2 3.13Å; I188-V239 HydrophobicContact CD1-CB 4.04Å; I188-V239 HydrophobicContact CD1-CG1 4.3Å; I188-V239 HydrophobicContact CD1-CG2 4.26Å |
| 189 | V | 90.8 | Very high | 87.5 | Confident | 85 Ų | 85 | 52.2 Ų | 52.2 | 52% | 0.515 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -45.6 | -172.6 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | G173 S175 | G173-V189 PolarHBondContact O-N 3.02Å; S175-V189 VanDerWaalsContact CB-CG2 3.49Å; S175-V189 VanDerWaalsContact OG-CG2 3.26Å; S175-V189 WeakPolarHBondContact OG-CG2 3.33Å |
| 190 | S | 91.7 | Very high | 87.6 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 144.5 | 173.8 | 71.3 | 0 | 0 | 0 | 0 | 110 | E132 G173 I188 | E132-S190 WeakPolarHBondContact OE2-CB 3.45Å; E132-S190 PolarHBondContact OE2-OG 2.91Å; G173-S190 WeakPolarHBondContact CA-OG 3.16Å; G173-S190 PolarHBondContact N-O 3.24Å; G173-S190 PolarHBondContact N-OG 2.74Å; G173-S190 PolarHBondContact O-N 3.01Å; I188-S190 WeakPolarHBondContact CG2-O 3.4Å |
| 191 | C | 90.7 | Very high | 87.6 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 22% | 0.223 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 119.7 | -176.8 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | D171 I188 F193 C232 | D171-C191 CarbonylContact O-C 3.57Å; D171-C191 WeakPolarHBondContact O-CA 3.47Å; I188-C191 HydrophobicContact CG2-CB 3.93Å; C191-F193 VanDerWaalsContact SG-CE2 3.52Å; C191-C232 HydrophobicContact CB-CB 3.92Å; C191-C232 WeakPolarHBondContact CB-SG 3.45Å; C191-C232 PolarHBondContact O-SG 3.44Å; C191-C232 VanDerWaalsContact O-SG 3.37Å; C191-C232 WeakPolarHBondContact SG-CA 3.43Å; C191-C232 WeakPolarHBondContact SG-CB 3.38Å; C191-C232 CovalentContact SG-SG 2.05Å; C191-C232 PolarHBondContact SG-SG 3.41Å |
| 192 | D | 90.4 | Very high | 87.7 | Confident | 86 Ų | 86 | 49.8 Ų | 49.8 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.4 | 169.6 | -170 | 32.5 | 0 | 0 | 0 | 111.7 | D171 N228 | D171-D192 PolarHBondContact N-O 3.24Å; D171-D192 VanDerWaalsContact N-O 3.09Å; D171-D192 PolarHBondContact O-N 3.38Å; D192-N228 PolarHBondContact OD1-ND2 3Å |
| 193 | F | 88 | Confident | 87.6 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 121.9 | 178.3 | -70.4 | -92.5 | 0 | 0 | 0 | 111.1 | E169 F170 I172 C191 N228 L231 C232 L235 | E169-F193 WeakPolarHBondContact O-CA 3.27Å; F170-F193 AromaticContact CD1-CD1 3.65Å; F170-F193 HydrophobicContact CD1-CD1 3.65Å; F170-F193 AromaticContact CD1-CE1 3.34Å; F170-F193 HydrophobicContact CD1-CE1 3.34Å; F170-F193 HydrophobicContact CD1-CZ 4.45Å; F170-F193 AromaticContact CE1-CD1 3.96Å; F170-F193 HydrophobicContact CE1-CD1 3.96Å; F170-F193 AromaticContact CE1-CE1 3.67Å; F170-F193 HydrophobicContact CE1-CE1 3.67Å; F170-F193 HydrophobicContact CG-CD1 4.38Å; F170-F193 HydrophobicContact CG-CE1 4.37Å; I172-F193 HydrophobicContact CD1-CZ 4.17Å; C191-F193 VanDerWaalsContact SG-CE2 3.52Å; F193-N228 HydrophobicContact CB-CB 4.45Å; F193-N228 PolarHBondContact O-ND2 3.27Å; F193-L231 HydrophobicContact CD1-CD2 3.85Å; F193-L231 HydrophobicContact CD2-CB 4.28Å; F193-L231 HydrophobicContact CE1-CB 4.49Å; F193-L231 HydrophobicContact CE1-CD2 3.31Å; F193-L231 HydrophobicContact CE1-CG 3.83Å; F193-L231 HydrophobicContact CE2-CB 3.91Å; F193-L231 HydrophobicContact CE2-CD2 4.21Å; F193-L231 HydrophobicContact CE2-CG 3.87Å; F193-L231 HydrophobicContact CG-CD2 4.47Å; F193-L231 HydrophobicContact CZ-CB 4.05Å; F193-L231 HydrophobicContact CZ-CD2 3.55Å; F193-L231 HydrophobicContact CZ-CG 3.47Å; F193-L231 VanDerWaalsContact CZ-CG 3.47Å; F193-C232 VanDerWaalsContact CD2-SG 3.52Å; F193-C232 HydrophobicContact CE2-CB 4.48Å; F193-C232 VanDerWaalsContact CE2-SG 3.5Å; F193-L235 HydrophobicContact CE2-CD1 4.32Å; F193-L235 HydrophobicContact CZ-CD1 3.73Å |
| 194 | S | 87.1 | Confident | 87.5 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.1 | 176.1 | 149.2 | 0 | 0 | 0 | 0 | 109.4 | I168 E169 | I168-S194 CarbonylContact C-O 3.57Å; I168-S194 WeakPolarHBondContact CA-O 3.24Å; E169-S194 PolarHBondContact N-O 3.23Å; E169-S194 PolarHBondContact O-N 3.44Å; E169-S194 PolarHBondContact OE2-OG 3.49Å |
| 195 | I | 86.5 | Confident | 87.5 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.3 | 168.1 | -60.8 | 166.7 | 0 | 0 | 0 | 106.9 | A165 I168 V198 R224 V227 | A165-I195 HydrophobicContact CB-CG2 4.16Å; I168-I195 HydrophobicContact CG1-CG2 4.48Å; I168-I195 HydrophobicContact CG2-CG1 4.08Å; I195-V198 HydrophobicContact CG2-CG2 3.65Å; I195-R224 HydrophobicContact CB-CG 4.49Å; I195-R224 WeakPolarHBondContact O-CD 3.19Å; I195-R224 PolarHBondContact O-NE 2.88Å; I195-R224 VanDerWaalsContact O-NE 3.14Å; I195-R224 PolarHBondContact O-NH1 2.81Å; I195-R224 VanDerWaalsContact O-NH1 3.14Å; I195-V227 HydrophobicContact CD1-CB 3.89Å; I195-V227 HydrophobicContact CD1-CG1 3.98Å; I195-V227 HydrophobicContact CD1-CG2 3.95Å |
| 196 | G | 88.1 | Confident | 87.1 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -93 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S166 D167 | S166-G196 WeakPolarHBondContact O-CA 3.42Å; S166-G196 PolarHBondContact O-N 3.01Å; D167-G196 PolarHBondContact O-N 3.19Å |
| 197 | R | 88.5 | Confident | 86.7 | Confident | 166 Ų | 166 | 62.2 Ų | 62.2 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.5 | -172.3 | -61.3 | 176.8 | -65.1 | -166.8 | -7.2 | 110.9 | A165 S166 D167 | A165-R197 CarbonylContact C-O 3.59Å; A165-R197 WeakPolarHBondContact CA-O 3.47Å; S166-R197 PolarHBondContact N-O 3.1Å; S166-R197 PolarHBondContact O-N 3.48Å; S166-R197 VanDerWaalsContact O-N 3.15Å; S166-R197 PolarHBondContact OG-NE 2.86Å; S166-R197 PolarHBondContact OG-NH2 2.94Å; D167-R197 IonicContact OD2-NE 3.96Å; D167-R197 IonicContact OD2-NH2 2.76Å |
| 198 | V | 88.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.1 | 170.3 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | V163 I195 I200 R220 L223 | V163-V198 HydrophobicContact CG1-CG1 4.29Å; I195-V198 HydrophobicContact CG2-CG2 3.65Å; V198-I200 HydrophobicContact CG1-CG1 4.12Å; V198-R220 HydrophobicContact CG1-CG 4.48Å; V198-R220 VanDerWaalsContact O-CZ 3.32Å; V198-R220 PolarHBondContact O-NE 2.92Å; V198-R220 PolarHBondContact O-NH2 2.77Å; V198-L223 HydrophobicContact CG1-CD2 3.9Å; V198-L223 HydrophobicContact CG2-CD2 4.27Å |
| 199 | K | 88.7 | Confident | 85.3 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.7 | 163.5 | -59.6 | 178.3 | -172 | 171.3 | 0 | 108 | D164 F201 | D164-K199 HydrophobicContact CB-CB 4.28Å; D164-K199 PolarHBondContact N-O 2.86Å; D164-K199 PolarHBondContact O-N 2.76Å; K199-F201 HydrophobicContact CB-CD2 4.33Å; K199-F201 HydrophobicContact CB-CE2 3.61Å; K199-F201 HydrophobicContact CB-CZ 3.89Å; K199-F201 HydrophobicContact CD-CE2 4.03Å; K199-F201 HydrophobicContact CD-CZ 3.71Å; K199-F201 HydrophobicContact CG-CE2 4.48Å; K199-F201 HydrophobicContact CG-CZ 4.42Å |
| 200 | I | 87.1 | Confident | 84.2 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.8 | 173.2 | -58.2 | 177.9 | 0 | 0 | 0 | 106.5 | F161 T162 V163 V198 W212 R216 L219 R220 | F161-I200 HydrophobicContact CB-CG2 4.32Å; F161-I200 HydrophobicContact CD2-CG2 3.9Å; F161-I200 HydrophobicContact CG-CG2 4.46Å; T162-I200 WeakPolarHBondContact O-CA 3.38Å; V163-I200 HydrophobicContact CG2-CG1 4.47Å; V198-I200 HydrophobicContact CG1-CG1 4.12Å; I200-W212 HydrophobicContact CG2-CH2 4.48Å; I200-W212 HydrophobicContact CG2-CZ2 4.14Å; I200-R216 HydrophobicContact CB-CG 4.18Å; I200-R216 HydrophobicContact CG2-CG 4.26Å; I200-R216 PolarHBondContact O-NE 3.37Å; I200-R216 PolarHBondContact O-NH2 2.84Å; I200-L219 HydrophobicContact CD1-CB 3.68Å; I200-R220 HydrophobicContact CD1-CB 4.21Å |
| 201 | F | 86.7 | Confident | 83.2 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 157.6 | 176.3 | -59.4 | -80.3 | 0 | 0 | 0 | 109.8 | F161 T162 D164 K199 | F161-F201 CarbonylContact C-O 3.54Å; F161-F201 WeakPolarHBondContact CA-O 3.35Å; F161-F201 WeakPolarHBondContact CB-O 3.38Å; T162-F201 PolarHBondContact N-O 2.88Å; T162-F201 PolarHBondContact O-N 2.9Å; D164-F201 HydrophobicContact CB-CD2 4.12Å; D164-F201 HydrophobicContact CB-CE2 3.84Å; K199-F201 HydrophobicContact CB-CD2 4.33Å; K199-F201 HydrophobicContact CB-CE2 3.61Å; K199-F201 HydrophobicContact CB-CZ 3.89Å; K199-F201 HydrophobicContact CD-CE2 4.03Å; K199-F201 HydrophobicContact CD-CZ 3.71Å; K199-F201 HydrophobicContact CG-CE2 4.48Å; K199-F201 HydrophobicContact CG-CZ 4.42Å |
| 202 | T | 83.7 | Confident | 82.5 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.1 | -174.4 | -49.9 | 0 | 0 | 0 | 0 | 108.7 | V159 L205 W212 | V159-T202 HydrophobicContact CG1-CG2 4.18Å; T202-L205 HydrophobicContact CG2-CB 4.2Å; T202-W212 HydrophobicContact CG2-CZ2 4.44Å; T202-W212 WeakPolarHBondContact OG1-CZ2 3.26Å; T202-W212 PolarHBondContact OG1-NE1 3.18Å |
| 203 | E | 82.4 | Confident | 81.8 | Confident | 106 Ų | 106 | 67.1 Ų | 67.1 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -40.5 | -174.6 | -62.3 | 175.1 | -174.3 | 0 | 0 | 110.1 | T146 T160 T162 | T146-E203 WeakPolarHBondContact CG2-OE2 3.39Å; T160-E203 HydrophobicContact CG2-CB 4.23Å; T160-E203 WeakPolarHBondContact CG2-OE2 3.23Å; T160-E203 PolarHBondContact O-N 2.95Å; T162-E203 VanDerWaalsContact CB-OE1 3.32Å; T162-E203 WeakPolarHBondContact CB-OE1 3.06Å; T162-E203 PolarHBondContact OG1-OE1 2.84Å |
| 204 | R | 82.6 | Confident | 80.7 | Confident | 194 Ų | 194 | 72.5 Ų | 72.5 | 73% | 0.732 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 140.8 | 176.1 | -60.3 | -175.4 | 179.5 | 175.5 | -0.5 | 110.4 | V159 T160 | V159-R204 WeakPolarHBondContact CA-O 3.49Å; V159-R204 WeakPolarHBondContact CG1-O 3.15Å; T160-R204 PolarHBondContact N-O 3.02Å; T160-R204 PolarHBondContact O-N 2.94Å; T160-R204 VanDerWaalsContact O-N 3.14Å |
| 205 | L | 81.6 | Confident | 80.2 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 113.9 | 177.5 | 171.2 | 59.8 | 0 | 0 | 0 | 109.7 | I156 V159 T202 G207 W212 | I156-L205 HydrophobicContact CG2-CD1 4.17Å; V159-L205 HydrophobicContact CB-CD1 4.48Å; V159-L205 HydrophobicContact CG1-CD1 4.18Å; V159-L205 HydrophobicContact CG2-CD1 3.73Å; T202-L205 HydrophobicContact CG2-CB 4.2Å; L205-G207 PolarHBondContact O-N 3.44Å; L205-W212 HydrophobicContact CD1-CB 4.12Å; L205-W212 HydrophobicContact CD1-CG 4.39Å; L205-W212 HydrophobicContact CD2-CB 3.59Å; L205-W212 HydrophobicContact CD2-CG 3.89Å |
| 206 | E | 79.2 | Confident | 79.6 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 45% | 0.453 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 77.6 | 171.2 | -66.2 | 174.4 | -145.4 | 0 | 0 | 109 | R157 R158 | R157-E206 HydrophobicContact CB-CB 4.3Å; R157-E206 PolarHBondContact N-O 2.83Å; R158-E206 HydrophobicContact CB-CB 4.33Å; R158-E206 HydrophobicContact CB-CG 4.38Å; R158-E206 IonicContact NH1-OE1 3.29Å; R158-E206 PolarHBondContact O-N 2.95Å |
| 207 | G | 78.7 | Confident | 78.8 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 45% | 0.454 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -161.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L155 L205 G209 | L155-G207 CarbonylContact O-C 3.34Å; L155-G207 VanDerWaalsContact O-CA 3.25Å; L155-G207 WeakPolarHBondContact O-CA 3.15Å; L205-G207 PolarHBondContact O-N 3.44Å; G207-G209 PolarHBondContact O-N 2.83Å |
| 208 | S | 74.3 | Confident | 77.9 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | trans | -74 | 118.3 | -177.7 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | L155 L210 I211 W212 | L155-S208 PolarHBondContact O-N 2.79Å; S208-L210 VanDerWaalsContact C-N 3.25Å; S208-L210 PolarHBondContact O-N 3.5Å; S208-L210 PolarHBondContact OG-N 2.93Å; S208-I211 PolarHBondContact O-N 2.93Å; S208-W212 PolarHBondContact O-N 3.16Å | ||
| 209 | G | 76.1 | Confident | 77.3 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.3 | -34.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G207 W212 Q213 | G207-G209 PolarHBondContact O-N 2.83Å; G209-W212 PolarHBondContact O-N 2.77Å; G209-Q213 WeakPolarHBondContact O-CG 3.45Å; G209-Q213 PolarHBondContact O-N 3.05Å |
| 210 | L | 68.7 | Low | 76.5 | Confident | 125 Ų | 125 | 78.7 Ų | 78.7 | 65% | 0.654 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.8 | -47 | 178.8 | -67.1 | 169.9 | 0 | 0 | 0 | 111.7 | S208 W212 Q213 L214 | S208-L210 VanDerWaalsContact C-N 3.25Å; S208-L210 PolarHBondContact O-N 3.5Å; S208-L210 PolarHBondContact OG-N 2.93Å; L210-W212 VanDerWaalsContact C-N 3.28Å; L210-W212 PolarHBondContact O-N 3Å; L210-Q213 WeakPolarHBondContact O-CB 3.47Å; L210-Q213 PolarHBondContact O-N 2.9Å; L210-L214 PolarHBondContact O-N 3.34Å |
| 211 | I | 70.5 | Confident | 75.6 | Confident | 56 Ų | 56 | 81.9 Ų | 81.9 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 177 | -56.5 | 175.3 | 0 | 0 | 0 | 109.7 | L155 I156 S208 Q213 L214 V215 | L155-I211 HydrophobicContact CB-CD1 3.49Å; L155-I211 VanDerWaalsContact CB-CD1 3.49Å; L155-I211 HydrophobicContact CD1-CD1 3.6Å; L155-I211 HydrophobicContact CG-CD1 4.13Å; I156-I211 HydrophobicContact CD1-CB 3.97Å; I156-I211 HydrophobicContact CD1-CG2 3.69Å; I156-I211 HydrophobicContact CG1-CB 4.39Å; I156-I211 HydrophobicContact CG1-CG2 4.28Å; S208-I211 PolarHBondContact O-N 2.93Å; I211-Q213 PolarHBondContact O-N 2.79Å; I211-L214 PolarHBondContact O-N 3.45Å; I211-V215 HydrophobicContact CG2-CG2 4.42Å; I211-V215 WeakPolarHBondContact O-CG2 3.48Å; I211-V215 PolarHBondContact O-N 3.2Å |
| 212 | W | 76.3 | Confident | 74.8 | Confident | 14 Ų | 14 | 80.6 Ų | 80.6 | 5% | 0.053 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 174 | 173.8 | -110.6 | 0 | 0 | 0 | 113 | I156 V159 F161 I200 T202 L205 S208 G209 L210 L214 V215 R216 L219 | I156-W212 HydrophobicContact CD1-CB 4.23Å; V159-W212 HydrophobicContact CG1-CD2 4.2Å; V159-W212 HydrophobicContact CG1-CE3 4Å; V159-W212 HydrophobicContact CG1-CH2 4.13Å; V159-W212 HydrophobicContact CG1-CZ2 4.31Å; V159-W212 HydrophobicContact CG1-CZ3 3.97Å; V159-W212 HydrophobicContact CG2-CE3 4.23Å; V159-W212 HydrophobicContact CG2-CZ3 4.44Å; F161-W212 HydrophobicContact CB-CH2 3.83Å; F161-W212 HydrophobicContact CB-CZ2 3.8Å; F161-W212 AromaticContact CD1-CH2 3.59Å; F161-W212 HydrophobicContact CD1-CH2 3.59Å; F161-W212 HydrophobicContact CD1-CZ2 4.41Å; F161-W212 HydrophobicContact CD1-CZ3 4.16Å; F161-W212 HydrophobicContact CD2-CH2 4.19Å; F161-W212 HydrophobicContact CE1-CH2 4.14Å; F161-W212 HydrophobicContact CE1-CZ3 4.46Å; F161-W212 AromaticContact CG-CH2 3.61Å; F161-W212 HydrophobicContact CG-CH2 3.61Å; F161-W212 HydrophobicContact CG-CZ2 4.11Å; I200-W212 HydrophobicContact CG2-CH2 4.48Å; I200-W212 HydrophobicContact CG2-CZ2 4.14Å; T202-W212 HydrophobicContact CG2-CZ2 4.44Å; T202-W212 WeakPolarHBondContact OG1-CZ2 3.26Å; T202-W212 PolarHBondContact OG1-NE1 3.18Å; L205-W212 HydrophobicContact CD1-CB 4.12Å; L205-W212 HydrophobicContact CD1-CG 4.39Å; L205-W212 HydrophobicContact CD2-CB 3.59Å; L205-W212 HydrophobicContact CD2-CG 3.89Å; S208-W212 PolarHBondContact O-N 3.16Å; G209-W212 PolarHBondContact O-N 2.77Å; L210-W212 VanDerWaalsContact C-N 3.28Å; L210-W212 PolarHBondContact O-N 3Å; W212-L214 VanDerWaalsContact C-N 3.34Å; W212-L214 PolarHBondContact O-N 2.98Å; W212-V215 HydrophobicContact CE3-CB 4.12Å; W212-V215 HydrophobicContact CE3-CG1 3.91Å; W212-V215 HydrophobicContact CZ3-CB 4.43Å; W212-V215 HydrophobicContact CZ3-CG1 3.75Å; W212-V215 PolarHBondContact O-N 2.91Å; W212-R216 HydrophobicContact CZ2-CB 4.26Å; W212-R216 HydrophobicContact CZ2-CG 4.45Å; W212-R216 WeakPolarHBondContact O-CB 3.41Å; W212-R216 PolarHBondContact O-N 2.95Å; W212-L219 HydrophobicContact CH2-CD1 3.93Å; W212-L219 HydrophobicContact CZ3-CD1 4.04Å |
| 213 | Q | 73.8 | Confident | 74.3 | Confident | 124 Ų | 124 | 79.9 Ų | 79.9 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.7 | -42.3 | 173.2 | -76.6 | 173.7 | -9.9 | 0 | 0 | 112 | G209 L210 I211 R216 S217 | G209-Q213 WeakPolarHBondContact O-CG 3.45Å; G209-Q213 PolarHBondContact O-N 3.05Å; L210-Q213 WeakPolarHBondContact O-CB 3.47Å; L210-Q213 PolarHBondContact O-N 2.9Å; I211-Q213 PolarHBondContact O-N 2.79Å; Q213-R216 PolarHBondContact O-N 3.27Å; Q213-S217 PolarHBondContact O-N 2.98Å; Q213-S217 VanDerWaalsContact O-N 3.09Å |
| 214 | L | 66.9 | Low | 73.8 | Confident | 123 Ų | 123 | 81.5 Ų | 81.5 | 64% | 0.644 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.8 | -49.9 | 173.6 | -64.5 | 172.5 | 0 | 0 | 0 | 111.3 | L210 I211 W212 R216 S217 V218 | L210-L214 PolarHBondContact O-N 3.34Å; I211-L214 PolarHBondContact O-N 3.45Å; W212-L214 VanDerWaalsContact C-N 3.34Å; W212-L214 PolarHBondContact O-N 2.98Å; L214-R216 VanDerWaalsContact C-N 3.33Å; L214-R216 PolarHBondContact O-N 3.02Å; L214-S217 WeakPolarHBondContact O-CB 3.36Å; L214-S217 PolarHBondContact O-N 3.25Å; L214-S217 VanDerWaalsContact O-N 3.16Å; L214-V218 WeakPolarHBondContact O-CG2 3.38Å; L214-V218 PolarHBondContact O-N 3.4Å |
| 215 | V | 75.3 | Confident | 73.2 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 29% | 0.285 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | I211 W212 S217 V218 L219 | I211-V215 HydrophobicContact CG2-CG2 4.42Å; I211-V215 WeakPolarHBondContact O-CG2 3.48Å; I211-V215 PolarHBondContact O-N 3.2Å; W212-V215 HydrophobicContact CE3-CB 4.12Å; W212-V215 HydrophobicContact CE3-CG1 3.91Å; W212-V215 HydrophobicContact CZ3-CB 4.43Å; W212-V215 HydrophobicContact CZ3-CG1 3.75Å; W212-V215 PolarHBondContact O-N 2.91Å; V215-S217 VanDerWaalsContact C-N 3.32Å; V215-S217 PolarHBondContact O-N 3.18Å; V215-V218 PolarHBondContact O-N 2.81Å; V215-L219 HydrophobicContact CG1-CD1 3.8Å; V215-L219 HydrophobicContact CG1-CG 4.12Å; V215-L219 WeakPolarHBondContact O-CB 3.27Å; V215-L219 VanDerWaalsContact O-CG 3.28Å; V215-L219 WeakPolarHBondContact O-CG 3.5Å; V215-L219 PolarHBondContact O-N 2.98Å |
| 216 | R | 75 | Confident | 72.5 | Confident | 101 Ų | 101 | 83.1 Ų | 83.1 | 38% | 0.381 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 176.1 | -173.9 | -177.3 | -177.6 | -154.3 | 4.3 | 112 | I200 W212 Q213 L214 R220 | I200-R216 HydrophobicContact CB-CG 4.18Å; I200-R216 HydrophobicContact CG2-CG 4.26Å; I200-R216 PolarHBondContact O-NE 3.37Å; I200-R216 PolarHBondContact O-NH2 2.84Å; W212-R216 HydrophobicContact CZ2-CB 4.26Å; W212-R216 HydrophobicContact CZ2-CG 4.45Å; W212-R216 WeakPolarHBondContact O-CB 3.41Å; W212-R216 PolarHBondContact O-N 2.95Å; Q213-R216 PolarHBondContact O-N 3.27Å; L214-R216 VanDerWaalsContact C-N 3.33Å; L214-R216 PolarHBondContact O-N 3.02Å; R216-R220 VanDerWaalsContact O-CB 3.26Å; R216-R220 WeakPolarHBondContact O-CB 3.31Å; R216-R220 PolarHBondContact O-N 2.89Å |
| 217 | S | 71.5 | Confident | 72.1 | Confident | 80 Ų | 80 | 80.1 Ų | 80.1 | 56% | 0.559 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.2 | -45 | 174.3 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | Q213 L214 V215 R220 S221 | Q213-S217 PolarHBondContact O-N 2.98Å; Q213-S217 VanDerWaalsContact O-N 3.09Å; L214-S217 WeakPolarHBondContact O-CB 3.36Å; L214-S217 PolarHBondContact O-N 3.25Å; L214-S217 VanDerWaalsContact O-N 3.16Å; V215-S217 VanDerWaalsContact C-N 3.32Å; V215-S217 PolarHBondContact O-N 3.18Å; S217-R220 PolarHBondContact O-N 3.26Å; S217-S221 WeakPolarHBondContact O-CB 3.43Å; S217-S221 PolarHBondContact O-N 3.34Å; S217-S221 PolarHBondContact O-OG 2.94Å |
| 218 | V | 69.1 | Low | 71.6 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | L214 V215 S221 N222 | L214-V218 WeakPolarHBondContact O-CG2 3.38Å; L214-V218 PolarHBondContact O-N 3.4Å; V215-V218 PolarHBondContact O-N 2.81Å; V218-S221 PolarHBondContact O-OG 2.87Å; V218-S221 VanDerWaalsContact O-OG 3.11Å; V218-N222 VanDerWaalsContact O-CB 3.3Å; V218-N222 WeakPolarHBondContact O-CB 3.31Å; V218-N222 PolarHBondContact O-N 3.5Å; V218-N222 PolarHBondContact O-ND2 2.82Å |
| 219 | L | 74.3 | Confident | 71.5 | Confident | 51 Ų | 51 | 87.5 Ų | 87.5 | 27% | 0.267 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 174.4 | -74.7 | 172.8 | 0 | 0 | 0 | 111 | F161 I200 W212 V215 S221 N222 L223 | F161-L219 HydrophobicContact CE2-CD1 4.4Å; F161-L219 HydrophobicContact CZ-CD1 4.27Å; I200-L219 HydrophobicContact CD1-CB 3.68Å; W212-L219 HydrophobicContact CH2-CD1 3.93Å; W212-L219 HydrophobicContact CZ3-CD1 4.04Å; V215-L219 HydrophobicContact CG1-CD1 3.8Å; V215-L219 HydrophobicContact CG1-CG 4.12Å; V215-L219 WeakPolarHBondContact O-CB 3.27Å; V215-L219 VanDerWaalsContact O-CG 3.28Å; V215-L219 WeakPolarHBondContact O-CG 3.5Å; V215-L219 PolarHBondContact O-N 2.98Å; L219-S221 PolarHBondContact O-N 3.1Å; L219-N222 PolarHBondContact O-N 3.49Å; L219-L223 WeakPolarHBondContact O-CB 3.27Å; L219-L223 PolarHBondContact O-N 2.66Å |
| 220 | R | 71.9 | Confident | 71.4 | Confident | 146 Ų | 146 | 92.5 Ų | 92.5 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.4 | -41.2 | -177.4 | -166.8 | -178.4 | -162.6 | -163.7 | 2.6 | 112.7 | V198 I200 R216 S217 | V198-R220 HydrophobicContact CG1-CG 4.48Å; V198-R220 VanDerWaalsContact O-CZ 3.32Å; V198-R220 PolarHBondContact O-NE 2.92Å; V198-R220 PolarHBondContact O-NH2 2.77Å; I200-R220 HydrophobicContact CD1-CB 4.21Å; R216-R220 VanDerWaalsContact O-CB 3.26Å; R216-R220 WeakPolarHBondContact O-CB 3.31Å; R216-R220 PolarHBondContact O-N 2.89Å; S217-R220 PolarHBondContact O-N 3.26Å |
| 221 | S | 68.6 | Low | 71.7 | Confident | 73 Ų | 73 | 89.4 Ų | 89.4 | 51% | 0.51 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -73 | -38.3 | 178.6 | 52 | 0 | 0 | 0 | 0 | 112.9 | S217 V218 L219 | S217-S221 WeakPolarHBondContact O-CB 3.43Å; S217-S221 PolarHBondContact O-N 3.34Å; S217-S221 PolarHBondContact O-OG 2.94Å; V218-S221 PolarHBondContact O-OG 2.87Å; V218-S221 VanDerWaalsContact O-OG 3.11Å; L219-S221 PolarHBondContact O-N 3.1Å |
| 222 | N | 71.4 | Confident | 72.3 | Confident | 63 Ų | 63 | 87.3 Ų | 87.3 | 34% | 0.337 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -88.3 | -23.1 | -178.5 | -69.2 | -75.9 | 0 | 0 | 0 | 114.1 | V218 L219 R224 R225 F226 | V218-N222 VanDerWaalsContact O-CB 3.3Å; V218-N222 WeakPolarHBondContact O-CB 3.31Å; V218-N222 PolarHBondContact O-N 3.5Å; V218-N222 PolarHBondContact O-ND2 2.82Å; L219-N222 PolarHBondContact O-N 3.49Å; N222-R224 PolarHBondContact O-N 2.83Å; N222-R225 CarbonylContact O-C 3.57Å; N222-R225 PolarHBondContact O-N 3.02Å; N222-R225 VanDerWaalsContact O-N 3.1Å; N222-F226 WeakPolarHBondContact O-CB 3.41Å; N222-F226 PolarHBondContact O-N 3.03Å |
| 223 | L | 72.3 | Confident | 72.4 | Confident | 43 Ų | 43 | 89.3 Ų | 89.3 | 23% | 0.225 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.8 | -46.1 | -175.2 | -175.2 | 70.7 | 0 | 0 | 0 | 112.4 | V163 V198 L219 R225 F226 V227 | V163-L223 HydrophobicContact CG1-CD2 3.57Å; V198-L223 HydrophobicContact CG1-CD2 3.9Å; V198-L223 HydrophobicContact CG2-CD2 4.27Å; L219-L223 WeakPolarHBondContact O-CB 3.27Å; L219-L223 PolarHBondContact O-N 2.66Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.78Å; L223-F226 PolarHBondContact O-N 3.39Å; L223-V227 HydrophobicContact CD1-CG2 4Å; L223-V227 HydrophobicContact CG-CG2 4.21Å; L223-V227 WeakPolarHBondContact O-CG2 3.5Å; L223-V227 PolarHBondContact O-N 3.37Å |
| 224 | R | 71.9 | Confident | 72.5 | Confident | 140 Ų | 140 | 85.8 Ų | 85.8 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 178.1 | -175 | 172.4 | 174.5 | 167.4 | -1.9 | 112.1 | I195 N222 N228 | I195-R224 HydrophobicContact CB-CG 4.49Å; I195-R224 WeakPolarHBondContact O-CD 3.19Å; I195-R224 PolarHBondContact O-NE 2.88Å; I195-R224 VanDerWaalsContact O-NE 3.14Å; I195-R224 PolarHBondContact O-NH1 2.81Å; I195-R224 VanDerWaalsContact O-NH1 3.14Å; N222-R224 PolarHBondContact O-N 2.83Å; R224-N228 PolarHBondContact O-N 2.88Å |
| 225 | R | 69.9 | Low | 73.1 | Confident | 151 Ų | 151 | 82 Ų | 82 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -72.8 | -35.6 | 176.6 | -174.2 | -175.3 | -70.7 | 155.3 | -7.5 | 112.4 | N222 L223 R229 | N222-R225 CarbonylContact O-C 3.57Å; N222-R225 PolarHBondContact O-N 3.02Å; N222-R225 VanDerWaalsContact O-N 3.1Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.78Å; R225-R229 WeakPolarHBondContact O-CB 3.31Å; R225-R229 WeakPolarHBondContact O-CG 3.17Å; R225-R229 PolarHBondContact O-N 3.28Å; R225-R229 VanDerWaalsContact O-N 3.15Å |
| 226 | F | 66.7 | Low | 73.5 | Confident | 129 Ų | 129 | 83.4 Ų | 83.4 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.7 | -46.4 | -179.4 | 177.7 | -92.6 | 0 | 0 | 0 | 111.2 | N222 L223 R230 | N222-F226 WeakPolarHBondContact O-CB 3.41Å; N222-F226 PolarHBondContact O-N 3.03Å; L223-F226 PolarHBondContact O-N 3.39Å; F226-R230 HydrophobicContact CD2-CB 4.42Å; F226-R230 HydrophobicContact CE1-CB 4.41Å; F226-R230 HydrophobicContact CE2-CB 4.26Å; F226-R230 HydrophobicContact CE2-CG 4.21Å; F226-R230 HydrophobicContact CZ-CB 4.26Å; F226-R230 HydrophobicContact CZ-CG 4.05Å; F226-R230 WeakPolarHBondContact O-CA 3.28Å; F226-R230 WeakPolarHBondContact O-CB 3.36Å; F226-R230 PolarHBondContact O-N 3.4Å |
| 227 | V | 71 | Confident | 73.6 | Confident | 33 Ų | 33 | 84 Ų | 84 | 20% | 0.2 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.6 | -54.1 | 177.3 | 173.9 | 0 | 0 | 0 | 0 | 110 | I195 L223 R229 R230 L231 | I195-V227 HydrophobicContact CD1-CB 3.89Å; I195-V227 HydrophobicContact CD1-CG1 3.98Å; I195-V227 HydrophobicContact CD1-CG2 3.95Å; L223-V227 HydrophobicContact CD1-CG2 4Å; L223-V227 HydrophobicContact CG-CG2 4.21Å; L223-V227 WeakPolarHBondContact O-CG2 3.5Å; L223-V227 PolarHBondContact O-N 3.37Å; V227-R229 PolarHBondContact O-N 2.79Å; V227-R230 PolarHBondContact O-N 2.83Å; V227-L231 HydrophobicContact CG1-CB 4.32Å; V227-L231 HydrophobicContact CG1-CD2 3.91Å; V227-L231 WeakPolarHBondContact O-CA 3.38Å; V227-L231 WeakPolarHBondContact O-CB 3.35Å; V227-L231 PolarHBondContact O-N 3.07Å |
| 228 | N | 69.1 | Low | 73.7 | Confident | 55 Ų | 55 | 84.6 Ų | 84.6 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.8 | -55.3 | 179.5 | -178.1 | -70.4 | 0 | 0 | 0 | 112.2 | D192 F193 R224 R230 | D192-N228 PolarHBondContact OD1-ND2 3Å; F193-N228 HydrophobicContact CB-CB 4.45Å; F193-N228 PolarHBondContact O-ND2 3.27Å; R224-N228 PolarHBondContact O-N 2.88Å; N228-R230 PolarHBondContact O-N 2.82Å |
| 229 | R | 70.5 | Confident | 73.9 | Confident | 185 Ų | 185 | 83.6 Ų | 83.6 | 70% | 0.698 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | -178.1 | -70.9 | -173.8 | 173 | -166.3 | -4 | 114.3 | R225 V227 T233 | R225-R229 WeakPolarHBondContact O-CB 3.31Å; R225-R229 WeakPolarHBondContact O-CG 3.17Å; R225-R229 PolarHBondContact O-N 3.28Å; R225-R229 VanDerWaalsContact O-N 3.15Å; V227-R229 PolarHBondContact O-N 2.79Å; R229-T233 PolarHBondContact O-OG1 3.47Å; R229-T233 VanDerWaalsContact O-OG1 3.09Å |
| 230 | R | 73.7 | Confident | 73.8 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -90.4 | -33.3 | -171.7 | -166.7 | 58.7 | 171.5 | -173.9 | -0.2 | 112.6 | F226 V227 N228 T233 V234 | F226-R230 HydrophobicContact CD2-CB 4.42Å; F226-R230 HydrophobicContact CE1-CB 4.41Å; F226-R230 HydrophobicContact CE2-CB 4.26Å; F226-R230 HydrophobicContact CE2-CG 4.21Å; F226-R230 HydrophobicContact CZ-CB 4.26Å; F226-R230 HydrophobicContact CZ-CG 4.05Å; F226-R230 WeakPolarHBondContact O-CA 3.28Å; F226-R230 WeakPolarHBondContact O-CB 3.36Å; F226-R230 PolarHBondContact O-N 3.4Å; V227-R230 PolarHBondContact O-N 2.83Å; N228-R230 PolarHBondContact O-N 2.82Å; R230-T233 PolarHBondContact O-N 2.9Å; R230-V234 HydrophobicContact CG-CG2 4.33Å; R230-V234 WeakPolarHBondContact O-CB 3.23Å; R230-V234 VanDerWaalsContact O-CG2 3.29Å; R230-V234 WeakPolarHBondContact O-CG2 3.29Å; R230-V234 PolarHBondContact O-N 3.38Å |
| 231 | L | 75.9 | Confident | 73.5 | Confident | 60 Ų | 60 | 77.3 Ų | 77.3 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.4 | -38.8 | -175.8 | -165.8 | 52.7 | 0 | 0 | 0 | 111.4 | F193 V227 V234 L235 | F193-L231 HydrophobicContact CD1-CD2 3.85Å; F193-L231 HydrophobicContact CD2-CB 4.28Å; F193-L231 HydrophobicContact CE1-CB 4.49Å; F193-L231 HydrophobicContact CE1-CD2 3.31Å; F193-L231 HydrophobicContact CE1-CG 3.83Å; F193-L231 HydrophobicContact CE2-CB 3.91Å; F193-L231 HydrophobicContact CE2-CD2 4.21Å; F193-L231 HydrophobicContact CE2-CG 3.87Å; F193-L231 HydrophobicContact CG-CD2 4.47Å; F193-L231 HydrophobicContact CZ-CB 4.05Å; F193-L231 HydrophobicContact CZ-CD2 3.55Å; F193-L231 HydrophobicContact CZ-CG 3.47Å; F193-L231 VanDerWaalsContact CZ-CG 3.47Å; V227-L231 HydrophobicContact CG1-CB 4.32Å; V227-L231 HydrophobicContact CG1-CD2 3.91Å; V227-L231 WeakPolarHBondContact O-CA 3.38Å; V227-L231 WeakPolarHBondContact O-CB 3.35Å; V227-L231 PolarHBondContact O-N 3.07Å; L231-V234 PolarHBondContact O-N 2.8Å; L231-L235 WeakPolarHBondContact O-CG 3.21Å; L231-L235 PolarHBondContact O-N 2.9Å |
| 232 | C | 82.6 | Confident | 73.4 | Confident | 12 Ų | 12 | 78.7 Ų | 78.7 | 8% | 0.081 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 169.7 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | C191 F193 V234 L235 Q236 | C191-C232 HydrophobicContact CB-CB 3.92Å; C191-C232 WeakPolarHBondContact CB-SG 3.45Å; C191-C232 PolarHBondContact O-SG 3.44Å; C191-C232 VanDerWaalsContact O-SG 3.37Å; C191-C232 WeakPolarHBondContact SG-CA 3.43Å; C191-C232 WeakPolarHBondContact SG-CB 3.38Å; C191-C232 CovalentContact SG-SG 2.05Å; C191-C232 PolarHBondContact SG-SG 3.41Å; F193-C232 VanDerWaalsContact CD2-SG 3.52Å; F193-C232 HydrophobicContact CE2-CB 4.48Å; F193-C232 VanDerWaalsContact CE2-SG 3.5Å; C232-V234 VanDerWaalsContact C-N 3.29Å; C232-V234 PolarHBondContact O-N 3.3Å; C232-L235 PolarHBondContact O-N 3.29Å; C232-Q236 WeakPolarHBondContact O-CB 3.3Å; C232-Q236 WeakPolarHBondContact O-CG 3.49Å; C232-Q236 PolarHBondContact O-N 3.46Å; C232-Q236 PolarHBondContact O-OE1 2.95Å |
| 233 | T | 79.9 | Confident | 73 | Confident | 55 Ų | 55 | 77.5 Ų | 77.5 | 34% | 0.337 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 176.7 | -51 | 0 | 0 | 0 | 0 | 112.7 | R229 R230 N237 | R229-T233 PolarHBondContact O-OG1 3.47Å; R229-T233 VanDerWaalsContact O-OG1 3.09Å; R230-T233 PolarHBondContact O-N 2.9Å; T233-N237 VanDerWaalsContact O-CB 3.29Å; T233-N237 WeakPolarHBondContact O-CB 3.49Å; T233-N237 PolarHBondContact O-N 2.8Å; T233-N237 VanDerWaalsContact O-N 3.15Å |
| 234 | V | 74.9 | Confident | 72.5 | Confident | 51 Ų | 51 | 77.1 Ų | 77.1 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.9 | -50.4 | 174.7 | 166.4 | 0 | 0 | 0 | 0 | 110.3 | R230 L231 C232 N237 H238 | R230-V234 HydrophobicContact CG-CG2 4.33Å; R230-V234 WeakPolarHBondContact O-CB 3.23Å; R230-V234 VanDerWaalsContact O-CG2 3.29Å; R230-V234 WeakPolarHBondContact O-CG2 3.29Å; R230-V234 PolarHBondContact O-N 3.38Å; L231-V234 PolarHBondContact O-N 2.8Å; C232-V234 VanDerWaalsContact C-N 3.29Å; C232-V234 PolarHBondContact O-N 3.3Å; V234-N237 PolarHBondContact O-N 3.12Å; V234-H238 WeakPolarHBondContact O-CB 3.43Å; V234-H238 PolarHBondContact O-N 2.71Å; V234-H238 PolarHBondContact O-ND1 2.91Å |
| 235 | L | 78.9 | Confident | 71.9 | Confident | 42 Ų | 42 | 74.2 Ų | 74.2 | 22% | 0.22 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | -179.4 | -66.7 | -178 | 0 | 0 | 0 | 112.3 | I172 I188 F193 L231 C232 N237 H238 V239 P240 | I172-L235 HydrophobicContact CD1-CD1 3.78Å; I188-L235 HydrophobicContact CD1-CB 3.8Å; F193-L235 HydrophobicContact CE2-CD1 4.32Å; F193-L235 HydrophobicContact CZ-CD1 3.73Å; L231-L235 WeakPolarHBondContact O-CG 3.21Å; L231-L235 PolarHBondContact O-N 2.9Å; C232-L235 PolarHBondContact O-N 3.29Å; L235-N237 PolarHBondContact O-N 3.23Å; L235-H238 PolarHBondContact O-N 3.41Å; L235-V239 HydrophobicContact CB-CG2 4.13Å; L235-V239 HydrophobicContact CD2-CG2 3.7Å; L235-V239 HydrophobicContact CG-CG2 4.5Å; L235-V239 VanDerWaalsContact O-CB 3.26Å; L235-V239 WeakPolarHBondContact O-CB 3.48Å; L235-V239 WeakPolarHBondContact O-CG2 3.38Å; L235-V239 PolarHBondContact O-N 2.77Å; L235-P240 WeakPolarHBondContact O-CD 3.4Å |
| 236 | Q | 84.1 | Confident | 71.1 | Confident | 77 Ų | 77 | 73 Ų | 73 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -31.8 | 178.1 | -74.6 | 174.4 | -46.4 | 0 | 0 | 113 | I188 C232 P240 | I188-Q236 HydrophobicContact CB-CG 3.9Å; I188-Q236 HydrophobicContact CG2-CG 3.92Å; I188-Q236 PolarHBondContact O-NE2 3.26Å; I188-Q236 VanDerWaalsContact O-NE2 3.13Å; C232-Q236 WeakPolarHBondContact O-CB 3.3Å; C232-Q236 WeakPolarHBondContact O-CG 3.49Å; C232-Q236 PolarHBondContact O-N 3.46Å; C232-Q236 PolarHBondContact O-OE1 2.95Å; Q236-P240 VanDerWaalsContact O-CD 3.29Å; Q236-P240 WeakPolarHBondContact O-CD 3.47Å; Q236-P240 VanDerWaalsContact O-CG 3.3Å; Q236-P240 WeakPolarHBondContact O-CG 3.12Å |
| 237 | N | 78.4 | Confident | 70.5 | Confident | 114 Ų | 114 | 70.7 Ų | 70.7 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -89.1 | -29.8 | 179.3 | -67.3 | 0.7 | 0 | 0 | 0 | 113.7 | T233 V234 L235 | T233-N237 VanDerWaalsContact O-CB 3.29Å; T233-N237 WeakPolarHBondContact O-CB 3.49Å; T233-N237 PolarHBondContact O-N 2.8Å; T233-N237 VanDerWaalsContact O-N 3.15Å; V234-N237 PolarHBondContact O-N 3.12Å; L235-N237 PolarHBondContact O-N 3.23Å |
| 238 | H | 72.4 | Confident | 69.6 | Low | 93 Ų | 93 | 74.3 Ų | 74.3 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -104.2 | -37.5 | -172.6 | -61.5 | 74.8 | 0 | 0 | 0 | 113.7 | V234 L235 G241 E242 | V234-H238 WeakPolarHBondContact O-CB 3.43Å; V234-H238 PolarHBondContact O-N 2.71Å; V234-H238 PolarHBondContact O-ND1 2.91Å; L235-H238 PolarHBondContact O-N 3.41Å; H238-G241 PolarHBondContact O-N 3.24Å; H238-E242 PolarHBondContact O-N 3.26Å |
| 239 | V | 73.7 | Confident | 68.8 | Low | 38 Ų | 38 | 76.7 Ų | 76.7 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | -178 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | I188 L235 G241 E242 V243 | I188-V239 HydrophobicContact CD1-CB 4.04Å; I188-V239 HydrophobicContact CD1-CG1 4.3Å; I188-V239 HydrophobicContact CD1-CG2 4.26Å; L235-V239 HydrophobicContact CB-CG2 4.13Å; L235-V239 HydrophobicContact CD2-CG2 3.7Å; L235-V239 HydrophobicContact CG-CG2 4.5Å; L235-V239 VanDerWaalsContact O-CB 3.26Å; L235-V239 WeakPolarHBondContact O-CB 3.48Å; L235-V239 WeakPolarHBondContact O-CG2 3.38Å; L235-V239 PolarHBondContact O-N 2.77Å; V239-G241 VanDerWaalsContact C-N 3.32Å; V239-G241 PolarHBondContact O-N 3.48Å; V239-E242 PolarHBondContact O-N 3.09Å; V239-V243 HydrophobicContact CG1-CG2 3.81Å; V239-V243 WeakPolarHBondContact O-CB 3.41Å; V239-V243 WeakPolarHBondContact O-CG2 3.44Å; V239-V243 PolarHBondContact O-N 2.96Å |
| 240 | P | 71.1 | Confident | 68.1 | Low | 28 Ų | 28 | 68.6 Ų | 68.6 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.4 | -44.6 | 172.2 | -29.5 | 39.8 | 0 | 0 | 0 | 112.7 | V186 L235 Q236 V243 D244 | V186-P240 WeakPolarHBondContact O-CB 3.36Å; V186-P240 WeakPolarHBondContact O-CG 3.47Å; L235-P240 WeakPolarHBondContact O-CD 3.4Å; Q236-P240 VanDerWaalsContact O-CD 3.29Å; Q236-P240 WeakPolarHBondContact O-CD 3.47Å; Q236-P240 VanDerWaalsContact O-CG 3.3Å; Q236-P240 WeakPolarHBondContact O-CG 3.12Å; P240-V243 PolarHBondContact O-N 3.3Å; P240-D244 WeakPolarHBondContact O-CB 3.46Å; P240-D244 VanDerWaalsContact O-CG 3.24Å; P240-D244 PolarHBondContact O-N 2.84Å |
| 241 | G | 67.4 | Low | 67.6 | Low | 38 Ų | 38 | 62.8 Ų | 62.8 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H238 V239 T245 | H238-G241 PolarHBondContact O-N 3.24Å; V239-G241 VanDerWaalsContact C-N 3.32Å; V239-G241 PolarHBondContact O-N 3.48Å; G241-T245 WeakPolarHBondContact O-CG2 3.47Å; G241-T245 PolarHBondContact O-N 2.91Å; G241-T245 PolarHBondContact O-OG1 3.19Å |
| 242 | E | 65.1 | Low | 67.5 | Low | 102 Ų | 102 | 63 Ų | 63 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74 | -32.9 | 179.4 | -71.7 | -67.4 | 173.9 | 0 | 0 | 113 | H238 V239 T245 H246 | H238-E242 PolarHBondContact O-N 3.26Å; V239-E242 PolarHBondContact O-N 3.09Å; E242-T245 WeakPolarHBondContact CA-OG1 3.47Å; E242-T245 PolarHBondContact O-OG1 3.46Å; E242-H246 PolarHBondContact O-N 3.12Å; E242-H246 PolarHBondContact O-ND1 3.47Å; E242-H246 IonicContact OE2-CE1 3.81Å; E242-H246 PolarHBondContact OE2-CE1 3.43Å; E242-H246 IonicContact OE2-ND1 2.74Å |
| 243 | V | 62.6 | Low | 67 | Low | 38 Ų | 38 | 63.3 Ų | 63.3 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.6 | -41.7 | 175 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | V186 V239 P240 T245 H246 L247 | V186-V243 HydrophobicContact CB-CB 4.49Å; V186-V243 HydrophobicContact CB-CG1 3.88Å; V186-V243 HydrophobicContact CG2-CG1 3.54Å; V239-V243 HydrophobicContact CG1-CG2 3.81Å; V239-V243 WeakPolarHBondContact O-CB 3.41Å; V239-V243 WeakPolarHBondContact O-CG2 3.44Å; V239-V243 PolarHBondContact O-N 2.96Å; P240-V243 PolarHBondContact O-N 3.3Å; V243-T245 VanDerWaalsContact C-N 3.35Å; V243-T245 PolarHBondContact O-N 2.98Å; V243-H246 PolarHBondContact O-N 3.03Å; V243-L247 HydrophobicContact CG1-CD1 3.52Å; V243-L247 HydrophobicContact CG1-CG 3.95Å; V243-L247 VanDerWaalsContact O-CB 3.27Å; V243-L247 WeakPolarHBondContact O-CB 3.33Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 2.84Å |
| 244 | D | 62.8 | Low | 66.5 | Low | 34 Ų | 34 | 61.7 Ų | 61.7 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 173.9 | -80.4 | 14.9 | 0 | 0 | 0 | 111.7 | P240 K248 | P240-D244 WeakPolarHBondContact O-CB 3.46Å; P240-D244 VanDerWaalsContact O-CG 3.24Å; P240-D244 PolarHBondContact O-N 2.84Å; D244-K248 VanDerWaalsContact O-CB 3.23Å; D244-K248 WeakPolarHBondContact O-CB 2.89Å; D244-K248 WeakPolarHBondContact O-CD 3.47Å; D244-K248 WeakPolarHBondContact O-CG 3.28Å; D244-K248 PolarHBondContact O-N 2.71Å |
| 245 | T | 59.5 | Low | 66 | Low | 80 Ų | 80 | 59.9 Ų | 59.9 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.1 | -36.5 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | G241 E242 V243 | G241-T245 WeakPolarHBondContact O-CG2 3.47Å; G241-T245 PolarHBondContact O-N 2.91Å; G241-T245 PolarHBondContact O-OG1 3.19Å; E242-T245 WeakPolarHBondContact CA-OG1 3.47Å; E242-T245 PolarHBondContact O-OG1 3.46Å; V243-T245 VanDerWaalsContact C-N 3.35Å; V243-T245 PolarHBondContact O-N 2.98Å |
| 246 | H | 52.7 | Low | 65.1 | Low | 125 Ų | 125 | 58.8 Ų | 58.8 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -86.9 | -30 | -178.6 | -68 | 81.6 | 0 | 0 | 0 | 113.4 | E242 V243 H249 | E242-H246 PolarHBondContact O-N 3.12Å; E242-H246 PolarHBondContact O-ND1 3.47Å; E242-H246 IonicContact OE2-CE1 3.81Å; E242-H246 PolarHBondContact OE2-CE1 3.43Å; E242-H246 IonicContact OE2-ND1 2.74Å; V243-H246 PolarHBondContact O-N 3.03Å; H246-H249 PolarHBondContact O-ND1 3.47Å |
| 247 | L | 55 | Low | 63.5 | Low | 80 Ų | 80 | 65.7 Ų | 65.7 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -96.7 | 4.9 | 179.1 | -56.5 | -170.9 | 0 | 0 | 0 | 114.3 | L184 V243 H249 G250 | L184-L247 HydrophobicContact CD2-CD1 3.88Å; V243-L247 HydrophobicContact CG1-CD1 3.52Å; V243-L247 HydrophobicContact CG1-CG 3.95Å; V243-L247 VanDerWaalsContact O-CB 3.27Å; V243-L247 WeakPolarHBondContact O-CB 3.33Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 2.84Å; L247-H249 PolarHBondContact O-N 3.32Å; L247-G250 PolarHBondContact O-N 3.43Å |
| 248 | K | 51.1 | Low | 61.9 | Low | 109 Ų | 109 | 61 Ų | 61 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 2.8 | 168.9 | -102.2 | 162.6 | -164.5 | 152.1 | 0 | 115.7 | D244 G250 | D244-K248 VanDerWaalsContact O-CB 3.23Å; D244-K248 WeakPolarHBondContact O-CB 2.89Å; D244-K248 WeakPolarHBondContact O-CD 3.47Å; D244-K248 WeakPolarHBondContact O-CG 3.28Å; D244-K248 PolarHBondContact O-N 2.71Å; K248-G250 PolarHBondContact O-N 2.8Å |
| 249 | H | 53.1 | Low | 60.4 | Low | 106 Ų | 106 | 60.6 Ų | 60.6 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.1 | 161.3 | -62.8 | 94.8 | 0 | 0 | 0 | 113.4 | H246 L247 G251 E253 | H246-H249 PolarHBondContact O-ND1 3.47Å; L247-H249 PolarHBondContact O-N 3.32Å; H249-G251 PolarHBondContact O-N 3.03Å; H249-E253 IonicContact CD2-OE1 2.79Å; H249-E253 PolarHBondContact CD2-OE1 2.94Å; H249-E253 IonicContact CG-OE1 3.56Å |
| 250 | G | 54.5 | Low | 58.6 | Low | 14 Ų | 14 | 59.1 Ų | 59.1 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -64.9 | 72.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L247 K248 | L247-G250 PolarHBondContact O-N 3.43Å; K248-G250 PolarHBondContact O-N 2.8Å |
| 251 | G | 64.9 | Low | 56.8 | Low | 23 Ų | 23 | 61 Ų | 61 | 24% | 0.237 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -174.4 | -150.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H249 E253 F298 | H249-G251 PolarHBondContact O-N 3.03Å; G251-E253 PolarHBondContact O-N 2.86Å; G251-F298 PolarHBondContact O-N 2.76Å |
| 252 | N | 71.9 | Confident | 55.1 | Low | 65 Ų | 65 | 63.7 Ų | 63.7 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 93.9 | -176.2 | -69.8 | -15.2 | 0 | 0 | 0 | 112.4 | I296 N297 H324 L327 | N252-I296 CarbonylContact C-O 3.59Å; N252-I296 WeakPolarHBondContact CA-O 3.47Å; N252-N297 WeakPolarHBondContact OD1-CA 3.43Å; N252-N297 VanDerWaalsContact OD1-CB 3.28Å; N252-N297 WeakPolarHBondContact OD1-CB 3.45Å; N252-N297 VanDerWaalsContact OD1-CG 3.29Å; N252-H324 PolarHBondContact ND2-NE2 3.48Å; N252-H324 PolarHBondContact OD1-CE1 2.67Å; N252-H324 VanDerWaalsContact OD1-CE1 3.3Å; N252-L327 HydrophobicContact CB-CD2 3.64Å; N252-L327 WeakPolarHBondContact ND2-CD2 3.24Å |
| 253 | E | 72.3 | Confident | 53.6 | Low | 18 Ų | 18 | 61.1 Ų | 61.1 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 141.2 | 173.8 | -77.2 | -154.3 | 166.8 | 0 | 0 | 112.6 | H249 G251 G258 D259 A260 Y295 I296 F298 | H249-E253 IonicContact CD2-OE1 2.79Å; H249-E253 PolarHBondContact CD2-OE1 2.94Å; H249-E253 IonicContact CG-OE1 3.56Å; G251-E253 PolarHBondContact O-N 2.86Å; E253-G258 WeakPolarHBondContact OE2-CA 3.26Å; E253-D259 PolarHBondContact OE1-N 3.45Å; E253-D259 PolarHBondContact OE2-N 3.49Å; E253-D259 VanDerWaalsContact OE2-N 3.1Å; E253-A260 WeakPolarHBondContact OE2-CB 3.29Å; E253-A260 PolarHBondContact OE2-N 3.1Å; E253-Y295 CarbonylContact O-C 3.59Å; E253-Y295 WeakPolarHBondContact O-CA 3.39Å; E253-I296 HydrophobicContact CB-CG2 4.23Å; E253-I296 PolarHBondContact N-O 3.29Å; E253-I296 PolarHBondContact O-N 2.73Å; E253-F298 HydrophobicContact CB-CD2 4.11Å; E253-F298 HydrophobicContact CB-CE2 4.12Å; E253-F298 HydrophobicContact CG-CD2 3.95Å; E253-F298 HydrophobicContact CG-CE2 4.21Å |
| 254 | N | 70.8 | Confident | 52 | Low | 20 Ų | 20 | 59.4 Ų | 59.4 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.5 | 171 | -177 | -83.8 | 0 | 0 | 0 | 110.7 | A256 R257 G258 R292 Y295 | N254-A256 PolarHBondContact O-N 2.81Å; N254-A256 PolarHBondContact OD1-N 2.95Å; N254-R257 HydrophobicContact CB-CB 4.06Å; N254-R257 PolarHBondContact O-N 3.25Å; N254-R257 PolarHBondContact OD1-N 3.25Å; N254-G258 PolarHBondContact O-N 3.22Å; N254-R292 PolarHBondContact ND2-O 2.92Å; N254-Y295 HydrophobicContact CB-CD1 3.93Å; N254-Y295 HydrophobicContact CB-CE1 3.69Å |
| 255 | L | 63.7 | Low | 50.4 | Low | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.1 | -174.8 | -72.3 | -176.7 | 0 | 0 | 0 | 114.9 | L291 L294 I296 I323 | L255-L291 HydrophobicContact CB-CD2 4.34Å; L255-L291 HydrophobicContact CD1-CD2 3.88Å; L255-L294 HydrophobicContact CD1-CB 3.81Å; L255-L294 HydrophobicContact CD1-CD1 4.38Å; L255-L294 HydrophobicContact CG-CB 4.34Å; L255-L294 PolarHBondContact N-O 3.09Å; L255-I296 HydrophobicContact CD2-CB 3.89Å; L255-I296 HydrophobicContact CD2-CG2 3.63Å; L255-I323 HydrophobicContact CD1-CD1 4.4Å; L255-I323 HydrophobicContact CD1-CG2 3.98Å |
| 256 | A | 59.6 | Low | 49 | Very low | 19 Ų | 19 | 57.4 Ų | 57.4 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 13.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N254 R292 | N254-A256 PolarHBondContact O-N 2.81Å; N254-A256 PolarHBondContact OD1-N 2.95Å; A256-R292 HydrophobicContact CB-CB 4.21Å; A256-R292 HydrophobicContact CB-CG 3.59Å |
| 257 | R | 51.7 | Low | 47.8 | Very low | 223 Ų | 223 | 52.6 Ų | 52.6 | 84% | 0.842 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.9 | -23.2 | -176 | -101.7 | -176.7 | 175.2 | 177.5 | -2.3 | 116.9 | N254 | N254-R257 HydrophobicContact CB-CB 4.06Å; N254-R257 PolarHBondContact O-N 3.25Å; N254-R257 PolarHBondContact OD1-N 3.25Å |
| 258 | G | 45.2 | Very low | 46.7 | Very low | 15 Ų | 15 | 50.9 Ų | 50.9 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -75 | -177.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E253 N254 A260 Y261 | E253-G258 WeakPolarHBondContact OE2-CA 3.26Å; N254-G258 PolarHBondContact O-N 3.22Å; G258-A260 PolarHBondContact O-N 2.89Å; G258-Y261 VanDerWaalsContact O-CB 3.3Å; G258-Y261 WeakPolarHBondContact O-CB 3.44Å; G258-Y261 PolarHBondContact O-N 3.36Å |
| 259 | D | 40.1 | Very low | 45.6 | Very low | 85 Ų | 85 | 54.8 Ų | 54.8 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.3 | -11.3 | 170.5 | -91.1 | -27.1 | 0 | 0 | 0 | 111.9 | E253 Y261 N262 L263 | E253-D259 PolarHBondContact OE1-N 3.45Å; E253-D259 PolarHBondContact OE2-N 3.49Å; E253-D259 VanDerWaalsContact OE2-N 3.1Å; D259-Y261 PolarHBondContact O-N 3.25Å; D259-Y261 VanDerWaalsContact O-N 3.1Å; D259-N262 CarbonylContact O-C 3.36Å; D259-N262 PolarHBondContact O-N 3.46Å; D259-N262 WeakPolarHBondContact OD1-CB 3.41Å; D259-N262 PolarHBondContact OD1-ND2 3.43Å; D259-L263 WeakPolarHBondContact O-CB 3.17Å; D259-L263 PolarHBondContact O-N 2.93Å |
| 260 | A | 35.5 | Very low | 44.6 | Very low | 6 Ų | 6 | 51.9 Ų | 51.9 | 5% | 0.05 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -49.7 | -23.9 | 158 | 0 | 0 | 0 | 0 | 0 | 115.1 | E253 G258 F298 | E253-A260 WeakPolarHBondContact OE2-CB 3.29Å; E253-A260 PolarHBondContact OE2-N 3.1Å; G258-A260 PolarHBondContact O-N 2.89Å; A260-F298 HydrophobicContact CB-CE2 4.26Å |
| 261 | Y | 34.3 | Very low | 43.3 | Very low | 68 Ų | 68 | 58.2 Ų | 58.2 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -90.8 | -27 | 175.1 | -169.9 | -91.1 | 0 | 0 | 0 | 112.9 | G258 D259 L263 I266 | G258-Y261 VanDerWaalsContact O-CB 3.3Å; G258-Y261 WeakPolarHBondContact O-CB 3.44Å; G258-Y261 PolarHBondContact O-N 3.36Å; D259-Y261 PolarHBondContact O-N 3.25Å; D259-Y261 VanDerWaalsContact O-N 3.1Å; Y261-L263 CarbonylContact C-O 3.58Å; Y261-I266 HydrophobicContact CD2-CB 4.45Å; Y261-I266 HydrophobicContact CD2-CD1 3.66Å; Y261-I266 HydrophobicContact CD2-CG2 4.49Å; Y261-I266 HydrophobicContact CE2-CB 4.34Å; Y261-I266 HydrophobicContact CE2-CD1 3.76Å; Y261-I266 HydrophobicContact CE2-CG2 3.9Å |
| 262 | N | 31.6 | Very low | 41.9 | Very low | 94 Ų | 94 | 62.2 Ų | 62.2 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -90.2 | -24.3 | 179.2 | -67.5 | -32.7 | 0 | 0 | 0 | 112.8 | D259 G264 | D259-N262 CarbonylContact O-C 3.36Å; D259-N262 PolarHBondContact O-N 3.46Å; D259-N262 WeakPolarHBondContact OD1-CB 3.41Å; D259-N262 PolarHBondContact OD1-ND2 3.43Å; N262-G264 VanDerWaalsContact C-N 3.26Å; N262-G264 PolarHBondContact O-N 2.78Å |
| 263 | L | 32 | Very low | 39.7 | Very low | 49 Ų | 49 | 62.1 Ų | 62.1 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -42.8 | 99.4 | 140.4 | -93.8 | 148.5 | 0 | 0 | 0 | 106.7 | D259 Y261 L265 I266 P522 F524 | D259-L263 WeakPolarHBondContact O-CB 3.17Å; D259-L263 PolarHBondContact O-N 2.93Å; Y261-L263 CarbonylContact C-O 3.58Å; L263-L265 HydrophobicContact CB-CD1 4.34Å; L263-L265 HydrophobicContact CB-CG 4.45Å; L263-L265 HydrophobicContact CD2-CD1 4.17Å; L263-L265 WeakPolarHBondContact O-CA 3.49Å; L263-L265 PolarHBondContact O-N 3.48Å; L263-I266 PolarHBondContact O-N 2.92Å; L263-P522 HydrophobicContact CD2-CB 4.18Å; L263-P522 HydrophobicContact CD2-CG 4.25Å; L263-F524 HydrophobicContact CB-CE1 4.33Å; L263-F524 HydrophobicContact CB-CZ 4.32Å; L263-F524 HydrophobicContact CD2-CE1 4.34Å; L263-F524 HydrophobicContact CD2-CZ 3.62Å; L263-F524 HydrophobicContact CG-CE1 3.88Å; L263-F524 HydrophobicContact CG-CZ 3.68Å |
| 264 | G | 29.7 | Very low | 37.8 | Very low | 2 Ų | 2 | 70.7 Ų | 70.7 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 11.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | N262 I266 G267 | N262-G264 VanDerWaalsContact C-N 3.26Å; N262-G264 PolarHBondContact O-N 2.78Å; G264-I266 CarbonylContact O-C 3.59Å; G264-I266 PolarHBondContact O-N 3.36Å; G264-G267 PolarHBondContact O-N 2.89Å |
| 265 | L | 28.8 | Very low | 35.9 | Very low | 59 Ų | 59 | 75.8 Ų | 75.8 | 31% | 0.309 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -5.8 | 149.6 | -60 | 175.4 | 0 | 0 | 0 | 114 | C17 I18 L263 P522 | C17-L265 CarbonylContact C-O 3.49Å; C17-L265 VanDerWaalsContact CA-O 3.29Å; C17-L265 WeakPolarHBondContact CA-O 3.44Å; C17-L265 VanDerWaalsContact CB-C 3.41Å; C17-L265 WeakPolarHBondContact CB-O 3.48Å; I18-L265 HydrophobicContact CG1-CB 4.03Å; I18-L265 PolarHBondContact N-O 3.33Å; L263-L265 HydrophobicContact CB-CD1 4.34Å; L263-L265 HydrophobicContact CB-CG 4.45Å; L263-L265 HydrophobicContact CD2-CD1 4.17Å; L263-L265 WeakPolarHBondContact O-CA 3.49Å; L263-L265 PolarHBondContact O-N 3.48Å; L265-P522 HydrophobicContact CD2-CG 4.42Å; L265-P522 HydrophobicContact CG-CB 4.47Å; L265-P522 HydrophobicContact CG-CG 4.38Å |
| 266 | I | 31.6 | Very low | 34.6 | Very low | 13 Ų | 13 | 82 Ų | 82 | 7% | 0.067 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | -25.6 | 156.5 | -64.6 | -175.9 | 0 | 0 | 0 | 113.3 | I18 Y261 L263 G264 | I18-I266 HydrophobicContact CB-CD1 4.02Å; I18-I266 HydrophobicContact CB-CG1 3.89Å; I18-I266 HydrophobicContact CD1-CD1 3.93Å; I18-I266 HydrophobicContact CD1-CG1 4.03Å; I18-I266 HydrophobicContact CG1-CD1 4.15Å; I18-I266 HydrophobicContact CG1-CG1 3.84Å; Y261-I266 HydrophobicContact CD2-CB 4.45Å; Y261-I266 HydrophobicContact CD2-CD1 3.66Å; Y261-I266 HydrophobicContact CD2-CG2 4.49Å; Y261-I266 HydrophobicContact CE2-CB 4.34Å; Y261-I266 HydrophobicContact CE2-CD1 3.76Å; Y261-I266 HydrophobicContact CE2-CG2 3.9Å; L263-I266 PolarHBondContact O-N 2.92Å; G264-I266 CarbonylContact O-C 3.59Å; G264-I266 PolarHBondContact O-N 3.36Å |
| 267 | G | 27 | Very low | 34 | Very low | 24 Ų | 24 | 89.4 Ų | 89.4 | 25% | 0.247 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.3 | -152.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | G264 | G264-G267 PolarHBondContact O-N 2.89Š|
| 268 | S | 31 | Very low | 33.7 | Very low | 43 Ų | 43 | 79.5 Ų | 79.5 | 30% | 0.301 | 43% | 0.431 | S | S | . | . | trans | -77.4 | 142.4 | -167.2 | 177.5 | 0 | 0 | 0 | 0 | 115.2 | G270 P520 | S268-G270 VanDerWaalsContact C-N 3.33Å; S268-G270 PolarHBondContact O-N 3.18Å; S268-P520 VanDerWaalsContact CB-CG 3.47Å; S268-P520 WeakPolarHBondContact OG-CB 3.07Å | ||
| 269 | K | 29.1 | Very low | 33.8 | Very low | 192 Ų | 192 | 81.2 Ų | 81.2 | 84% | 0.835 | 44% | 0.436 | S | S | * | . | trans | -81.9 | 60.7 | -168 | -61.3 | 174.7 | -178.9 | 173.1 | 0 | 113.1 | ||||
| 270 | G | 31.8 | Very low | 34.4 | Very low | 44 Ų | 44 | 79.1 Ų | 79.1 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | trans | -75.6 | 129.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S268 F272 | S268-G270 VanDerWaalsContact C-N 3.33Å; S268-G270 PolarHBondContact O-N 3.18Å; G270-F272 VanDerWaalsContact C-N 3.25Å; G270-F272 PolarHBondContact O-N 2.99Å | ||
| 271 | N | 27.3 | Very low | 35.1 | Very low | 148 Ų | 148 | 81.3 Ų | 81.3 | 79% | 0.791 | 44% | 0.439 | S | S | * | . | trans | -80.8 | 69.2 | -179.4 | -140.4 | 2.1 | 0 | 0 | 0 | 111.1 | R13 G273 | R13-N271 PolarHBondContact NH1-OD1 2.82Å; R13-N271 VanDerWaalsContact NH1-OD1 3.12Å; N271-G273 PolarHBondContact O-N 2.85Å | ||
| 272 | F | 34.2 | Very low | 36.2 | Very low | 106 Ų | 106 | 79.7 Ų | 79.7 | 47% | 0.465 | 43% | 0.434 | S | S | . | . | trans | -66.9 | 130.5 | 173.7 | -101.1 | -86.8 | 0 | 0 | 0 | 110.8 | I16 G270 A517 | I16-F272 HydrophobicContact CD1-CD2 4.19Å; I16-F272 HydrophobicContact CD1-CG 4.33Å; G270-F272 VanDerWaalsContact C-N 3.25Å; G270-F272 PolarHBondContact O-N 2.99Å; F272-A517 HydrophobicContact CZ-CB 3.84Å | ||
| 273 | G | 27.4 | Very low | 37.4 | Very low | 63 Ų | 63 | 76 Ų | 76 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | trans | -67.4 | -176.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N271 | N271-G273 PolarHBondContact O-N 2.85Š| ||
| 274 | K | 31 | Very low | 38.6 | Very low | 199 Ų | 199 | 74.9 Ų | 74.9 | 87% | 0.865 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -46.8 | 144 | -178.4 | -64.5 | 178.9 | -180 | 178.6 | 0 | 111.9 | N276 | K274-N276 PolarHBondContact O-N 2.98Š|
| 275 | P | 31 | Very low | 40.1 | Very low | 127 Ų | 127 | 81.3 Ų | 81.3 | 83% | 0.825 | 44% | 0.441 | S | S | * | . | trans | -68.8 | 88.2 | -172.3 | 29.2 | -36.5 | 0 | 0 | 0 | 111.8 | R277 | P275-R277 PolarHBondContact O-N 2.84Š| ||
| 276 | N | 36.6 | Very low | 42 | Very low | 143 Ų | 143 | 82.4 Ų | 82.4 | 77% | 0.765 | 44% | 0.444 | S | S | * | . | trans | -69.8 | 122.9 | 172.4 | -164.3 | -12.4 | 0 | 0 | 0 | 108.7 | K274 S278 | K274-N276 PolarHBondContact O-N 2.98Å; N276-S278 PolarHBondContact O-N 3.26Å | ||
| 277 | R | 46.5 | Very low | 43.7 | Very low | 174 Ų | 174 | 81.8 Ų | 81.8 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | trans | -70.9 | 83 | -166.1 | -71.1 | 177.6 | 169.5 | -173.4 | -2.8 | 111.7 | P275 K382 | P275-R277 PolarHBondContact O-N 2.84Å; R277-K382 WeakPolarHBondContact O-CG 3.29Å | ||
| 278 | S | 47 | Very low | 45.5 | Very low | 16 Ų | 16 | 82.5 Ų | 82.5 | 11% | 0.112 | 44% | 0.437 | C | S | . | . | trans | -76.3 | 142.8 | 171.8 | 169 | 0 | 0 | 0 | 0 | 111.8 | N276 M280 S281 E510 | N276-S278 PolarHBondContact O-N 3.26Å; S278-M280 PolarHBondContact O-N 3.48Å; S278-M280 PolarHBondContact OG-N 3.21Å; S278-S281 VanDerWaalsContact O-CB 3.25Å; S278-S281 WeakPolarHBondContact O-CB 3.4Å; S278-S281 PolarHBondContact O-N 3.14Å; S278-S281 PolarHBondContact O-OG 3.06Å; S278-E510 VanDerWaalsContact CB-OE1 3.23Å; S278-E510 WeakPolarHBondContact CB-OE1 3.21Å; S278-E510 PolarHBondContact OG-OE1 3.41Å | ||
| 279 | L | 46.3 | Very low | 47.6 | Very low | 50 Ų | 50 | 87.6 Ų | 87.6 | 26% | 0.262 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -38.7 | 165 | -95.5 | 161.4 | 0 | 0 | 0 | 112.7 | S281 L375 A380 L383 | L279-S281 PolarHBondContact O-N 2.91Å; L279-S281 VanDerWaalsContact O-N 3.15Å; L279-L375 HydrophobicContact CD2-CD1 4.12Å; L279-L375 HydrophobicContact CD2-CD2 3.68Å; L279-L375 HydrophobicContact CD2-CG 4.49Å; L279-A380 HydrophobicContact CD2-CB 3.6Å; L279-L383 HydrophobicContact CD1-CD1 4.11Å; L279-L383 HydrophobicContact CD1-CD2 4.33Å; L279-L383 HydrophobicContact CD1-CG 4.12Å; L279-L383 HydrophobicContact CD2-CD1 3.81Å; L279-L383 HydrophobicContact CD2-CG 4.26Å; L279-L383 HydrophobicContact CG-CD1 4.46Å; L279-L383 HydrophobicContact CG-CG 4.49Å |
| 280 | M | 51.8 | Low | 49.9 | Very low | 42 Ų | 42 | 78.6 Ų | 78.6 | 21% | 0.207 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.9 | -1.4 | -178.1 | -61.9 | -65.7 | -86.4 | 0 | 0 | 113.1 | A23 S278 F283 A284 E510 L511 I514 | A23-M280 HydrophobicContact CB-CE 4.28Å; S278-M280 PolarHBondContact O-N 3.48Å; S278-M280 PolarHBondContact OG-N 3.21Å; M280-F283 HydrophobicContact CE-CD1 4.21Å; M280-F283 PolarHBondContact O-N 3.34Å; M280-F283 HydrophobicContact SD-CB 4.34Å; M280-A284 WeakPolarHBondContact O-CB 3.42Å; M280-A284 PolarHBondContact O-N 3.27Å; M280-E510 HydrophobicContact CG-CG 4.3Å; M280-L511 HydrophobicContact CE-CD2 3.98Å; M280-I514 HydrophobicContact CB-CD1 3.76Å; M280-I514 HydrophobicContact CG-CD1 3.62Å |
| 281 | S | 51.5 | Low | 51.9 | Low | 51 Ų | 51 | 77 Ų | 77 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70 | -38.2 | 174.8 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | S278 L279 A284 Q285 | S278-S281 VanDerWaalsContact O-CB 3.25Å; S278-S281 WeakPolarHBondContact O-CB 3.4Å; S278-S281 PolarHBondContact O-N 3.14Å; S278-S281 PolarHBondContact O-OG 3.06Å; L279-S281 PolarHBondContact O-N 2.91Å; L279-S281 VanDerWaalsContact O-N 3.15Å; S281-A284 PolarHBondContact O-N 2.7Å; S281-Q285 WeakPolarHBondContact O-CG 3.44Å; S281-Q285 PolarHBondContact O-N 3.29Å; S281-Q285 VanDerWaalsContact O-N 3.07Å |
| 282 | I | 56.7 | Low | 54.4 | Low | 34 Ų | 34 | 75.8 Ų | 75.8 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61 | -49.6 | 171.5 | -43.4 | 160.6 | 0 | 0 | 0 | 109.2 | A284 Q285 K286 L375 N379 A380 | I282-A284 VanDerWaalsContact C-N 3.3Å; I282-A284 PolarHBondContact O-N 2.86Å; I282-Q285 PolarHBondContact O-N 3.32Å; I282-K286 PolarHBondContact O-N 3.25Å; I282-L375 HydrophobicContact CD1-CD2 3.9Å; I282-N379 HydrophobicContact CD1-CB 3.93Å; I282-N379 WeakPolarHBondContact CD1-O 3.49Å; I282-N379 WeakPolarHBondContact CD1-OD1 3.3Å; I282-N379 HydrophobicContact CG1-CB 4.23Å; I282-N379 WeakPolarHBondContact CG1-O 2.85Å; I282-A380 HydrophobicContact CD1-CB 4.4Å |
| 283 | F | 57.3 | Low | 56.8 | Low | 16 Ų | 16 | 75.2 Ų | 75.2 | 7% | 0.07 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | -179.4 | -170.3 | -94.6 | 0 | 0 | 0 | 110.9 | S26 M280 K286 L287 L371 | S26-F283 WeakPolarHBondContact O-CZ 3.22Å; S26-F283 WeakPolarHBondContact OG-CE1 3.49Å; S26-F283 WeakPolarHBondContact OG-CZ 3.45Å; M280-F283 HydrophobicContact CE-CD1 4.21Å; M280-F283 PolarHBondContact O-N 3.34Å; M280-F283 HydrophobicContact SD-CB 4.34Å; F283-K286 PolarHBondContact O-N 2.78Å; F283-L287 HydrophobicContact CE1-CB 4.28Å; F283-L287 HydrophobicContact CE1-CD1 4.25Å; F283-L287 HydrophobicContact CE1-CD2 4.19Å; F283-L287 HydrophobicContact CE1-CG 4.47Å; F283-L287 HydrophobicContact CZ-CD1 4.21Å; F283-L287 VanDerWaalsContact O-CB 3.22Å; F283-L287 WeakPolarHBondContact O-CB 3.13Å; F283-L287 PolarHBondContact O-N 3.12Å; F283-L371 HydrophobicContact CZ-CD2 4.34Å |
| 284 | A | 57.4 | Low | 59.5 | Low | 26 Ų | 26 | 72.2 Ų | 72.2 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L19 M280 S281 I282 K286 L287 E288 | L19-A284 HydrophobicContact CD1-CB 3.8Å; L19-A284 HydrophobicContact CD2-CB 3.88Å; M280-A284 WeakPolarHBondContact O-CB 3.42Å; M280-A284 PolarHBondContact O-N 3.27Å; S281-A284 PolarHBondContact O-N 2.7Å; I282-A284 VanDerWaalsContact C-N 3.3Å; I282-A284 PolarHBondContact O-N 2.86Å; A284-K286 PolarHBondContact O-N 3.45Å; A284-L287 PolarHBondContact O-N 3.14Å; A284-E288 WeakPolarHBondContact O-CB 3.47Å; A284-E288 PolarHBondContact O-N 2.9Å |
| 285 | Q | 61.7 | Low | 62.1 | Low | 137 Ų | 137 | 66 Ų | 66 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 177.6 | -68.7 | 174.3 | 17 | 0 | 0 | 112 | S281 I282 E288 K289 | S281-Q285 WeakPolarHBondContact O-CG 3.44Å; S281-Q285 PolarHBondContact O-N 3.29Å; S281-Q285 VanDerWaalsContact O-N 3.07Å; I282-Q285 PolarHBondContact O-N 3.32Å; Q285-E288 PolarHBondContact O-N 2.96Å; Q285-K289 PolarHBondContact O-N 3.29Å |
| 286 | K | 67.6 | Low | 64.6 | Low | 82 Ų | 82 | 60.4 Ų | 60.4 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 178.5 | -176 | 159.5 | 178.5 | 168.1 | 0 | 112.2 | I282 F283 A284 K289 A290 G369 A370 N372 | I282-K286 PolarHBondContact O-N 3.25Å; F283-K286 PolarHBondContact O-N 2.78Å; A284-K286 PolarHBondContact O-N 3.45Å; K286-K289 PolarHBondContact O-N 2.83Å; K286-A290 WeakPolarHBondContact O-CB 3.47Å; K286-A290 PolarHBondContact O-N 2.93Å; K286-G369 WeakPolarHBondContact CE-O 3.16Å; K286-G369 PolarHBondContact NZ-O 2.71Å; K286-A370 VanDerWaalsContact CE-O 3.3Å; K286-A370 WeakPolarHBondContact CE-O 3.33Å; K286-N372 VanDerWaalsContact CD-O 3.24Å; K286-N372 WeakPolarHBondContact CD-O 3.44Å; K286-N372 WeakPolarHBondContact CE-O 3.28Å; K286-N372 PolarHBondContact NZ-O 3.41Å |
| 287 | L | 66.9 | Low | 67 | Low | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 174.9 | -166.6 | 78.6 | 0 | 0 | 0 | 111.5 | L19 I22 F283 A284 K289 A290 L291 L365 | L19-L287 HydrophobicContact CD2-CB 4.23Å; L19-L287 HydrophobicContact CD2-CD2 3.48Å; L19-L287 VanDerWaalsContact CD2-CD2 3.48Å; L19-L287 HydrophobicContact CD2-CG 4.45Å; L19-L287 HydrophobicContact CG-CD2 3.98Å; I22-L287 HydrophobicContact CB-CD2 3.98Å; I22-L287 HydrophobicContact CG2-CD1 3.91Å; I22-L287 HydrophobicContact CG2-CD2 3.69Å; I22-L287 HydrophobicContact CG2-CG 4.36Å; F283-L287 HydrophobicContact CE1-CB 4.28Å; F283-L287 HydrophobicContact CE1-CD1 4.25Å; F283-L287 HydrophobicContact CE1-CD2 4.19Å; F283-L287 HydrophobicContact CE1-CG 4.47Å; F283-L287 HydrophobicContact CZ-CD1 4.21Å; F283-L287 VanDerWaalsContact O-CB 3.22Å; F283-L287 WeakPolarHBondContact O-CB 3.13Å; F283-L287 PolarHBondContact O-N 3.12Å; A284-L287 PolarHBondContact O-N 3.14Å; L287-K289 PolarHBondContact O-N 2.93Å; L287-A290 CarbonylContact O-C 3.6Å; L287-A290 WeakPolarHBondContact O-CA 3.29Å; L287-A290 WeakPolarHBondContact O-CB 3.1Å; L287-A290 PolarHBondContact O-N 3.12Å; L287-A290 VanDerWaalsContact O-N 3.11Å; L287-L291 HydrophobicContact CD2-CD1 4.33Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 HydrophobicContact CG-CG 4.44Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.3Å; L287-L291 PolarHBondContact O-N 2.82Å; L287-L365 HydrophobicContact CD1-CD1 3.81Å; L287-L365 HydrophobicContact CD1-CD2 3.65Å; L287-L365 HydrophobicContact CD1-CG 4.4Å |
| 288 | E | 66.2 | Low | 68.8 | Low | 39 Ų | 39 | 48.7 Ų | 48.7 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 173.5 | -170.1 | -133 | -64.8 | 0 | 0 | 111.2 | W15 A284 Q285 A290 L291 R292 | W15-E288 HydrophobicContact CE3-CG 3.69Å; W15-E288 VanDerWaalsContact CH2-CD 3.48Å; W15-E288 HydrophobicContact CH2-CG 4.11Å; W15-E288 HydrophobicContact CZ3-CG 3.47Å; W15-E288 VanDerWaalsContact CZ3-CG 3.47Å; A284-E288 WeakPolarHBondContact O-CB 3.47Å; A284-E288 PolarHBondContact O-N 2.9Å; Q285-E288 PolarHBondContact O-N 2.96Å; E288-A290 VanDerWaalsContact C-N 3.25Å; E288-A290 PolarHBondContact O-N 2.83Å; E288-L291 PolarHBondContact O-N 2.87Å; E288-R292 WeakPolarHBondContact O-CG 3.33Å; E288-R292 PolarHBondContact O-N 3.1Å; E288-R292 IonicContact OE2-CZ 3.18Å; E288-R292 IonicContact OE2-NE 3.5Å; E288-R292 PolarHBondContact OE2-NE 3.36Å; E288-R292 IonicContact OE2-NH2 3.6Å; E288-R292 PolarHBondContact OE2-NH2 3.38Å |
| 289 | K | 74.6 | Confident | 70.7 | Confident | 149 Ų | 149 | 48 Ų | 48 | 65% | 0.648 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63 | -30.8 | 174.1 | -172.8 | 173.9 | -179.9 | 177.4 | 0 | 112.7 | Q285 K286 L287 Q293 | Q285-K289 PolarHBondContact O-N 3.29Å; K286-K289 PolarHBondContact O-N 2.83Å; L287-K289 PolarHBondContact O-N 2.93Å; K289-Q293 PolarHBondContact O-NE2 3.06Å |
| 290 | A | 77.8 | Confident | 72.7 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.9 | -45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K286 L287 E288 R292 Q293 L294 L365 I368 A370 | K286-A290 WeakPolarHBondContact O-CB 3.47Å; K286-A290 PolarHBondContact O-N 2.93Å; L287-A290 CarbonylContact O-C 3.6Å; L287-A290 WeakPolarHBondContact O-CA 3.29Å; L287-A290 WeakPolarHBondContact O-CB 3.1Å; L287-A290 PolarHBondContact O-N 3.12Å; L287-A290 VanDerWaalsContact O-N 3.11Å; E288-A290 VanDerWaalsContact C-N 3.25Å; E288-A290 PolarHBondContact O-N 2.83Å; A290-R292 PolarHBondContact O-N 2.94Å; A290-Q293 WeakPolarHBondContact O-CA 3.35Å; A290-Q293 WeakPolarHBondContact O-CB 3.42Å; A290-Q293 PolarHBondContact O-N 2.74Å; A290-L294 PolarHBondContact O-N 2.89Å; A290-L365 HydrophobicContact CB-CD2 3.84Å; A290-I368 HydrophobicContact CB-CD1 3.88Å; A290-A370 HydrophobicContact CB-CB 3.35Å |
| 291 | L | 73.1 | Confident | 74.6 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -33.2 | -179.1 | -73.5 | 162.9 | 0 | 0 | 0 | 112.5 | I18 I22 L255 L287 E288 Q293 L294 | I18-L291 HydrophobicContact CG2-CD1 3.76Å; I18-L291 HydrophobicContact CG2-CD2 4.07Å; I22-L291 HydrophobicContact CD1-CD1 4.5Å; I22-L291 HydrophobicContact CD1-CD2 3.63Å; L255-L291 HydrophobicContact CB-CD2 4.34Å; L255-L291 HydrophobicContact CD1-CD2 3.88Å; L287-L291 HydrophobicContact CD2-CD1 4.33Å; L287-L291 HydrophobicContact CG-CD1 4.15Å; L287-L291 HydrophobicContact CG-CG 4.44Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.3Å; L287-L291 PolarHBondContact O-N 2.82Å; E288-L291 PolarHBondContact O-N 2.87Å; L291-Q293 PolarHBondContact O-N 3.23Å; L291-Q293 VanDerWaalsContact O-N 3.17Å; L291-L294 HydrophobicContact CD2-CD1 4.34Å; L291-L294 PolarHBondContact O-N 2.93Å; L291-L294 VanDerWaalsContact O-N 3.07Å |
| 292 | R | 79.7 | Confident | 76.5 | Confident | 123 Ų | 123 | 47.8 Ų | 47.8 | 46% | 0.464 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.2 | 171.8 | -65.7 | 168.6 | -176.4 | -90.4 | 11.6 | 114.5 | N254 A256 E288 A290 | N254-R292 PolarHBondContact ND2-O 2.92Å; A256-R292 HydrophobicContact CB-CB 4.21Å; A256-R292 HydrophobicContact CB-CG 3.59Å; E288-R292 WeakPolarHBondContact O-CG 3.33Å; E288-R292 PolarHBondContact O-N 3.1Å; E288-R292 IonicContact OE2-CZ 3.18Å; E288-R292 IonicContact OE2-NE 3.5Å; E288-R292 PolarHBondContact OE2-NE 3.36Å; E288-R292 IonicContact OE2-NH2 3.6Å; E288-R292 PolarHBondContact OE2-NH2 3.38Å; A290-R292 PolarHBondContact O-N 2.94Å |
| 293 | Q | 83.6 | Confident | 78.3 | Confident | 95 Ų | 95 | 48.8 Ų | 48.8 | 44% | 0.444 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -6.3 | 177.9 | -61.4 | 165.5 | 78.8 | 0 | 0 | 112.7 | K289 A290 L291 I368 | K289-Q293 PolarHBondContact O-NE2 3.06Å; A290-Q293 WeakPolarHBondContact O-CA 3.35Å; A290-Q293 WeakPolarHBondContact O-CB 3.42Å; A290-Q293 PolarHBondContact O-N 2.74Å; L291-Q293 PolarHBondContact O-N 3.23Å; L291-Q293 VanDerWaalsContact O-N 3.17Å; Q293-I368 HydrophobicContact CB-CD1 4.49Å |
| 294 | L | 84.4 | Confident | 80 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -97.9 | 144.5 | -178.7 | -64.7 | -169.7 | 0 | 0 | 0 | 111.7 | L255 A290 L291 I323 A325 L361 L365 I368 | L255-L294 HydrophobicContact CD1-CB 3.81Å; L255-L294 HydrophobicContact CD1-CD1 4.38Å; L255-L294 HydrophobicContact CG-CB 4.34Å; L255-L294 PolarHBondContact N-O 3.09Å; A290-L294 PolarHBondContact O-N 2.89Å; L291-L294 HydrophobicContact CD2-CD1 4.34Å; L291-L294 PolarHBondContact O-N 2.93Å; L291-L294 VanDerWaalsContact O-N 3.07Å; L294-I323 HydrophobicContact CB-CG2 4.39Å; L294-I323 HydrophobicContact CD1-CG2 4.14Å; L294-A325 HydrophobicContact CD2-CB 3.89Å; L294-L361 HydrophobicContact CD1-CD1 3.59Å; L294-L365 HydrophobicContact CD1-CD2 3.76Å; L294-L365 HydrophobicContact CD1-CG 4.06Å; L294-I368 HydrophobicContact CD2-CD1 3.84Å; L294-I368 HydrophobicContact CG-CD1 4.27Å | ||
| 295 | Y | 85.3 | Confident | 81.8 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.1 | 177.5 | -65.2 | -104.8 | 0 | 0 | 0 | 109.3 | E253 N254 I323 H324 L327 | E253-Y295 CarbonylContact O-C 3.59Å; E253-Y295 WeakPolarHBondContact O-CA 3.39Å; N254-Y295 HydrophobicContact CB-CD1 3.93Å; N254-Y295 HydrophobicContact CB-CE1 3.69Å; Y295-I323 CarbonylContact O-C 3.55Å; Y295-I323 VanDerWaalsContact O-CA 3.29Å; Y295-I323 WeakPolarHBondContact O-CA 3.4Å; Y295-H324 WeakPolarHBondContact CB-NE2 3.24Å; Y295-H324 PolarHBondContact N-O 3.48Å; Y295-H324 PolarHBondContact O-N 2.89Å; Y295-H324 PolarHBondContact O-ND1 3.06Å; Y295-L327 HydrophobicContact CD1-CD2 4.33Å |
| 296 | I | 84.9 | Confident | 83.4 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.046 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.8 | 172.3 | -173.5 | 166.6 | 0 | 0 | 0 | 109.6 | I64 N252 E253 L255 F298 I323 | I64-I296 HydrophobicContact CD1-CD1 3.92Å; N252-I296 CarbonylContact C-O 3.59Å; N252-I296 WeakPolarHBondContact CA-O 3.47Å; E253-I296 HydrophobicContact CB-CG2 4.23Å; E253-I296 PolarHBondContact N-O 3.29Å; E253-I296 PolarHBondContact O-N 2.73Å; L255-I296 HydrophobicContact CD2-CB 3.89Å; L255-I296 HydrophobicContact CD2-CG2 3.63Å; I296-F298 HydrophobicContact CD1-CD1 4.44Å; I296-F298 HydrophobicContact CD1-CE1 3.75Å; I296-F298 HydrophobicContact CD1-CZ 3.99Å; I296-F298 HydrophobicContact CG1-CD1 4.46Å; I296-F298 HydrophobicContact CG1-CE1 4.18Å; I296-F298 HydrophobicContact CG1-CZ 4.38Å; I296-F298 HydrophobicContact CG2-CD2 3.96Å; I296-F298 HydrophobicContact CG2-CE1 4.2Å; I296-F298 HydrophobicContact CG2-CE2 3.44Å; I296-F298 VanDerWaalsContact CG2-CE2 3.44Å; I296-F298 HydrophobicContact CG2-CZ 3.58Å; I296-F298 PolarHBondContact O-N 2.82Å; I296-I323 HydrophobicContact CB-CG1 3.92Å; I296-I323 HydrophobicContact CD1-CD1 4.1Å; I296-I323 HydrophobicContact CD1-CG1 3.88Å; I296-I323 HydrophobicContact CG1-CG1 3.78Å |
| 297 | N | 86.2 | Confident | 84.7 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 16% | 0.16 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 105.7 | 175.8 | -171.6 | -9.9 | 0 | 0 | 0 | 110.5 | N252 G299 N320 G321 E322 | N252-N297 WeakPolarHBondContact OD1-CA 3.43Å; N252-N297 VanDerWaalsContact OD1-CB 3.28Å; N252-N297 WeakPolarHBondContact OD1-CB 3.45Å; N252-N297 VanDerWaalsContact OD1-CG 3.29Å; N297-G299 WeakPolarHBondContact OD1-CA 3.24Å; N297-G299 PolarHBondContact OD1-N 3.28Å; N297-N320 HydrophobicContact CB-CB 4.23Å; N297-N320 PolarHBondContact ND2-ND2 2.95Å; N297-G321 PolarHBondContact O-N 3.21Å; N297-E322 HydrophobicContact CB-CB 4.3Å; N297-E322 PolarHBondContact N-O 3.34Å |
| 298 | F | 85.2 | Confident | 85.9 | Confident | 42 Ų | 42 | 47.1 Ų | 47.1 | 18% | 0.184 | 23% | 0.23 | C | C | . | . | trans | -93 | 10 | 171.7 | -68 | -54 | 0 | 0 | 0 | 113.6 | I64 G251 E253 A260 I296 L319 | I64-F298 HydrophobicContact CD1-CE1 3.97Å; G251-F298 PolarHBondContact O-N 2.76Å; E253-F298 HydrophobicContact CB-CD2 4.11Å; E253-F298 HydrophobicContact CB-CE2 4.12Å; E253-F298 HydrophobicContact CG-CD2 3.95Å; E253-F298 HydrophobicContact CG-CE2 4.21Å; A260-F298 HydrophobicContact CB-CE2 4.26Å; I296-F298 HydrophobicContact CD1-CD1 4.44Å; I296-F298 HydrophobicContact CD1-CE1 3.75Å; I296-F298 HydrophobicContact CD1-CZ 3.99Å; I296-F298 HydrophobicContact CG1-CD1 4.46Å; I296-F298 HydrophobicContact CG1-CE1 4.18Å; I296-F298 HydrophobicContact CG1-CZ 4.38Å; I296-F298 HydrophobicContact CG2-CD2 3.96Å; I296-F298 HydrophobicContact CG2-CE1 4.2Å; I296-F298 HydrophobicContact CG2-CE2 3.44Å; I296-F298 VanDerWaalsContact CG2-CE2 3.44Å; I296-F298 HydrophobicContact CG2-CZ 3.58Å; I296-F298 PolarHBondContact O-N 2.82Å; F298-L319 HydrophobicContact CD1-CD1 4.17Å | ||
| 299 | G | 85.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -59.3 | 141.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G182 N297 N320 | G182-G299 CarbonylContact O-C 3.59Å; G182-G299 VanDerWaalsContact O-CA 3.3Å; G182-G299 WeakPolarHBondContact O-CA 3.32Å; N297-G299 WeakPolarHBondContact OD1-CA 3.24Å; N297-G299 PolarHBondContact OD1-N 3.28Å; G299-N320 WeakPolarHBondContact O-CB 3.33Å; G299-N320 PolarHBondContact O-N 3.35Å | ||
| 300 | L | 89.5 | Confident | 87.8 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -61.8 | 142.4 | 173.8 | -69.4 | 160.7 | 0 | 0 | 0 | 111.2 | A178 G182 L184 P304 I317 P318 L319 | A178-L300 HydrophobicContact CB-CB 3.74Å; A178-L300 HydrophobicContact CB-CD1 3.84Å; A178-L300 HydrophobicContact CB-CG 4.44Å; G182-L300 PolarHBondContact O-N 2.82Å; L184-L300 HydrophobicContact CB-CD1 3.94Å; L184-L300 HydrophobicContact CD1-CD1 3.78Å; L184-L300 HydrophobicContact CG-CD1 4.49Å; L300-P304 HydrophobicContact CD2-CG 4.14Å; L300-I317 HydrophobicContact CD2-CG2 3.86Å; L300-P318 WeakPolarHBondContact CA-O 3.43Å; L300-L319 HydrophobicContact CD2-CD2 3.97Å |
| 301 | V | 91.6 | Very high | 88.3 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -94.6 | -21.9 | 170.3 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | V60 A62 P318 N320 | V60-V301 WeakPolarHBondContact O-CG2 3.45Å; A62-V301 HydrophobicContact CB-CG2 4.47Å; V301-P318 HydrophobicContact CG2-CB 3.83Å; V301-P318 HydrophobicContact CG2-CG 4.31Å; V301-P318 PolarHBondContact N-O 3.45Å; V301-N320 HydrophobicContact CG1-CB 3.99Å |
| 302 | E | 92.3 | Very high | 89.3 | Confident | 77 Ų | 77 | 49 Ų | 49 | 36% | 0.36 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -152.4 | 166 | 172 | 60.8 | -179.7 | -160.9 | 0 | 0 | 109.1 | P318 | E302-P318 HydrophobicContact CB-CG 4.45Å; E302-P318 HydrophobicContact CG-CB 4.14Å; E302-P318 HydrophobicContact CG-CG 3.2Å |
| 303 | S | 92.9 | Very high | 90 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 39% | 0.392 | 26% | 0.258 | S | S | . | . | trans | -64.7 | 141.4 | 176.9 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | S177 A178 S305 | S177-S303 WeakPolarHBondContact CA-OG 3.39Å; A178-S303 PolarHBondContact N-OG 3.12Å; S303-S305 PolarHBondContact O-N 2.9Å | ||
| 304 | P | 93.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | trans | -55.7 | 139.2 | 174.4 | -27.4 | 36.6 | 0 | 0 | 0 | 112.7 | Q133 F176 L184 L300 I315 N316 I317 | Q133-P304 PolarHBondContact NE2-O 2.92Å; F176-P304 HydrophobicContact CB-CB 4.16Å; F176-P304 HydrophobicContact CB-CG 4.12Å; L184-P304 HydrophobicContact CD1-CG 3.84Å; L300-P304 HydrophobicContact CD2-CG 4.14Å; P304-I315 HydrophobicContact CB-CD1 4.07Å; P304-I315 HydrophobicContact CB-CG1 4.22Å; P304-N316 VanDerWaalsContact CA-O 3.23Å; P304-N316 WeakPolarHBondContact CA-O 3.5Å; P304-I317 HydrophobicContact CB-CG1 4.3Å; P304-I317 HydrophobicContact CG-CG2 4.37Å | ||
| 305 | S | 94.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 40.4 Ų | 40.4 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 143 | -177.2 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | S303 Q307 N316 | S303-S305 PolarHBondContact O-N 2.9Å; S305-Q307 PolarHBondContact OG-NE2 3.08Å; S305-N316 PolarHBondContact N-O 2.99Å; S305-N316 VanDerWaalsContact N-O 3.1Å; S305-N316 WeakPolarHBondContact O-CB 3.31Å; S305-N316 PolarHBondContact O-N 3.48Å |
| 306 | V | 96.4 | Very high | 91.6 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.2 | 172.3 | -173.8 | 0 | 0 | 0 | 0 | 109 | L126 Q127 Q128 Q133 V313 F314 I315 | L126-V306 HydrophobicContact CB-CG1 3.96Å; L126-V306 HydrophobicContact CD2-CG2 4.2Å; Q127-V306 VanDerWaalsContact O-CB 3.23Å; Q127-V306 WeakPolarHBondContact O-CB 3.38Å; Q127-V306 VanDerWaalsContact O-CG2 3.27Å; Q127-V306 WeakPolarHBondContact O-CG2 3.43Å; Q128-V306 HydrophobicContact CG-CB 4.43Å; Q128-V306 HydrophobicContact CG-CG1 3.67Å; Q133-V306 HydrophobicContact CB-CG2 3.59Å; Q133-V306 HydrophobicContact CG-CG2 3.83Å; Q133-V306 WeakPolarHBondContact O-CG2 3.47Å; V306-V313 HydrophobicContact CG1-CG1 3.76Å; V306-F314 WeakPolarHBondContact CA-O 3.38Å; V306-I315 HydrophobicContact CG2-CB 4.37Å; V306-I315 HydrophobicContact CG2-CG1 4.29Å |
| 307 | Q | 94 | Very high | 92 | Very high | 69 Ų | 69 | 38.7 Ų | 38.7 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 164.7 | -176.1 | -57.8 | 178.3 | 15 | 0 | 0 | 109.4 | S305 F314 | S305-Q307 PolarHBondContact OG-NE2 3.08Å; Q307-F314 HydrophobicContact CB-CD2 4.45Å; Q307-F314 HydrophobicContact CB-CE1 4.3Å; Q307-F314 HydrophobicContact CB-CE2 3.78Å; Q307-F314 HydrophobicContact CB-CZ 3.69Å; Q307-F314 PolarHBondContact N-O 2.83Å; Q307-F314 PolarHBondContact O-N 2.82Å |
| 308 | N | 92.4 | Very high | 92.3 | Very high | 98 Ų | 98 | 37.3 Ų | 37.3 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.4 | 173.1 | 63.3 | -36.9 | 0 | 0 | 0 | 111.2 | Q128 T312 V313 | Q128-N308 PolarHBondContact OE1-OD1 3.34Å; N308-T312 CarbonylContact C-O 3.6Å; N308-T312 WeakPolarHBondContact CA-O 3.24Å; N308-V313 HydrophobicContact CB-CG2 4.36Å |
| 309 | K | 92.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 36.3 Ų | 36.3 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 108.2 | 171.9 | -166 | 168 | -168.5 | 176.2 | 0 | 109.3 | S311 T312 F314 D340 I341 M343 | K309-S311 PolarHBondContact O-N 2.85Å; K309-T312 PolarHBondContact N-O 3.07Å; K309-T312 PolarHBondContact O-N 3.28Å; K309-F314 HydrophobicContact CB-CE1 3.85Å; K309-D340 IonicContact NZ-OD1 3.43Å; K309-D340 PolarHBondContact NZ-OD1 2.91Å; K309-D340 IonicContact NZ-OD2 3.38Å; K309-D340 PolarHBondContact NZ-OD2 3.42Å; K309-I341 VanDerWaalsContact CE-O 3.24Å; K309-I341 WeakPolarHBondContact CE-O 3.22Å; K309-I341 PolarHBondContact NZ-O 3.16Å; K309-M343 HydrophobicContact CB-SD 4.15Å; K309-M343 HydrophobicContact CD-CG 4.37Å; K309-M343 HydrophobicContact CD-SD 4.36Å |
| 310 | G | 88.4 | Confident | 92.8 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 71% | 0.711 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -130.6 | -162.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 311 | S | 89.3 | Confident | 92.8 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 76% | 0.755 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | K309 V313 | K309-S311 PolarHBondContact O-N 2.85Å; S311-V313 PolarHBondContact O-N 2.97Å |
| 312 | T | 93.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 113.6 | -172.8 | -45.8 | 0 | 0 | 0 | 0 | 111.1 | T69 N308 K309 M343 N346 | T69-T312 HydrophobicContact CG2-CG2 3.64Å; N308-T312 CarbonylContact C-O 3.6Å; N308-T312 WeakPolarHBondContact CA-O 3.24Å; K309-T312 PolarHBondContact N-O 3.07Å; K309-T312 PolarHBondContact O-N 3.28Å; T312-M343 HydrophobicContact CG2-CB 4.12Å; T312-M343 HydrophobicContact CG2-CE 4.15Å; T312-M343 PolarHBondContact OG1-O 2.84Å; T312-N346 PolarHBondContact OG1-OD1 2.98Å |
| 313 | V | 95.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 32.7 Ų | 32.7 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 136.9 | 172.2 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | T69 Q70 L126 Q128 V306 N308 S311 | T69-V313 CarbonylContact C-O 3.56Å; T69-V313 VanDerWaalsContact CA-O 3.3Å; T69-V313 WeakPolarHBondContact CA-O 3.09Å; Q70-V313 PolarHBondContact N-O 2.92Å; L126-V313 HydrophobicContact CB-CG1 3.94Å; L126-V313 HydrophobicContact CD1-CG1 4.12Å; Q128-V313 HydrophobicContact CG-CG1 4.11Å; V306-V313 HydrophobicContact CG1-CG1 3.76Å; N308-V313 HydrophobicContact CB-CG2 4.36Å; S311-V313 PolarHBondContact O-N 2.97Å |
| 314 | F | 95.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152.4 | -178.7 | 58.7 | -86.9 | 0 | 0 | 0 | 112.8 | R67 I68 T69 V306 Q307 K309 N316 M343 | R67-F314 HydrophobicContact CB-CB 4.32Å; R67-F314 HydrophobicContact CB-CD2 3.75Å; R67-F314 HydrophobicContact CB-CE2 4.42Å; R67-F314 HydrophobicContact CB-CG 4.23Å; R67-F314 VanDerWaalsContact CD-CE2 3.43Å; R67-F314 HydrophobicContact CG-CD2 3.6Å; R67-F314 HydrophobicContact CG-CE2 3.81Å; R67-F314 HydrophobicContact CG-CG 4.49Å; I68-F314 CarbonylContact O-C 3.06Å; I68-F314 WeakPolarHBondContact O-CA 3.44Å; I68-F314 WeakPolarHBondContact O-CB 3.15Å; T69-F314 HydrophobicContact CG2-CB 4.2Å; V306-F314 WeakPolarHBondContact CA-O 3.38Å; Q307-F314 HydrophobicContact CB-CD2 4.45Å; Q307-F314 HydrophobicContact CB-CE1 4.3Å; Q307-F314 HydrophobicContact CB-CE2 3.78Å; Q307-F314 HydrophobicContact CB-CZ 3.69Å; Q307-F314 PolarHBondContact N-O 2.83Å; Q307-F314 PolarHBondContact O-N 2.82Å; K309-F314 HydrophobicContact CB-CE1 3.85Å; F314-N316 HydrophobicContact CD2-CB 4.18Å; F314-N316 HydrophobicContact CE2-CB 4.01Å; F314-M343 HydrophobicContact CB-CE 4.24Å; F314-M343 HydrophobicContact CD1-CE 3.61Å; F314-M343 HydrophobicContact CD1-SD 3.65Å; F314-M343 HydrophobicContact CE1-CE 4.1Å; F314-M343 HydrophobicContact CE1-SD 3.48Å; F314-M343 WeakPolarHBondContact CE1-SD 3.49Å; F314-M343 HydrophobicContact CG-CE 3.92Å; F314-M343 HydrophobicContact CG-SD 4.36Å; F314-M343 HydrophobicContact CZ-SD 4.06Å |
| 315 | I | 95.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.4 | 162.1 | -165.9 | 173.3 | 0 | 0 | 0 | 109.2 | R67 I68 F73 L126 Q133 P304 V306 I317 | R67-I315 VanDerWaalsContact CA-O 3.26Å; R67-I315 WeakPolarHBondContact CA-O 3.45Å; I68-I315 HydrophobicContact CB-CG2 4.06Å; I68-I315 PolarHBondContact N-O 2.8Å; I68-I315 VanDerWaalsContact N-O 3.1Å; I68-I315 PolarHBondContact O-N 2.84Å; F73-I315 HydrophobicContact CE2-CG2 3.74Å; F73-I315 HydrophobicContact CZ-CG2 4.04Å; L126-I315 HydrophobicContact CD2-CB 3.87Å; L126-I315 HydrophobicContact CD2-CG2 4.28Å; Q133-I315 HydrophobicContact CB-CD1 3.93Å; Q133-I315 HydrophobicContact CG-CD1 4.35Å; P304-I315 HydrophobicContact CB-CD1 4.07Å; P304-I315 HydrophobicContact CB-CG1 4.22Å; V306-I315 HydrophobicContact CG2-CB 4.37Å; V306-I315 HydrophobicContact CG2-CG1 4.29Å; I315-I317 HydrophobicContact CG1-CG1 4.42Å; I315-I317 HydrophobicContact CG2-CD1 4.32Å; I315-I317 HydrophobicContact CG2-CG1 4.37Å |
| 316 | N | 94.5 | Very high | 90.9 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.2 | 179.4 | -168.3 | 73 | 0 | 0 | 0 | 108.6 | L65 R67 P304 S305 F314 | L65-N316 WeakPolarHBondContact CD1-OD1 3.45Å; R67-N316 HydrophobicContact CG-CB 4.47Å; R67-N316 WeakPolarHBondContact CG-OD1 3.27Å; R67-N316 PolarHBondContact NE-OD1 2.89Å; P304-N316 VanDerWaalsContact CA-O 3.23Å; P304-N316 WeakPolarHBondContact CA-O 3.5Å; S305-N316 PolarHBondContact N-O 2.99Å; S305-N316 VanDerWaalsContact N-O 3.1Å; S305-N316 WeakPolarHBondContact O-CB 3.31Å; S305-N316 PolarHBondContact O-N 3.48Å; F314-N316 HydrophobicContact CD2-CB 4.18Å; F314-N316 HydrophobicContact CE2-CB 4.01Å |
| 317 | I | 93.7 | Very high | 89.3 | Confident | 34 Ų | 34 | 35.4 Ų | 35.4 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 98.6 | -176.3 | -50.2 | 177.4 | 0 | 0 | 0 | 108.3 | L66 I68 L300 P304 I315 L319 | L66-I317 HydrophobicContact CB-CB 4.23Å; L66-I317 PolarHBondContact N-O 2.87Å; L66-I317 PolarHBondContact O-N 3.35Å; I68-I317 HydrophobicContact CD1-CD1 4.37Å; L300-I317 HydrophobicContact CD2-CG2 3.86Å; P304-I317 HydrophobicContact CB-CG1 4.3Å; P304-I317 HydrophobicContact CG-CG2 4.37Å; I315-I317 HydrophobicContact CG1-CG1 4.42Å; I315-I317 HydrophobicContact CG2-CD1 4.32Å; I315-I317 HydrophobicContact CG2-CG1 4.37Å; I317-L319 HydrophobicContact CG2-CD2 4.03Å |
| 318 | P | 93.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112.8 | -170.8 | 32.6 | -28.5 | 0 | 0 | 0 | 112.2 | A62 L65 L300 V301 E302 | A62-P318 HydrophobicContact CB-CB 3.79Å; L65-P318 HydrophobicContact CD1-CB 3.71Å; L300-P318 WeakPolarHBondContact CA-O 3.43Å; V301-P318 HydrophobicContact CG2-CB 3.83Å; V301-P318 HydrophobicContact CG2-CG 4.31Å; V301-P318 PolarHBondContact N-O 3.45Å; E302-P318 HydrophobicContact CB-CG 4.45Å; E302-P318 HydrophobicContact CG-CB 4.14Å; E302-P318 HydrophobicContact CG-CG 3.2Å |
| 319 | L | 91.1 | Very high | 86.7 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 152.5 | -175.4 | -48.1 | 177.3 | 0 | 0 | 0 | 111.6 | G63 I64 L66 F298 L300 I317 | G63-L319 PolarHBondContact N-O 3.04Å; I64-L319 HydrophobicContact CB-CB 4.27Å; I64-L319 HydrophobicContact CG2-CD1 4.35Å; I64-L319 PolarHBondContact N-O 3.32Å; I64-L319 WeakPolarHBondContact O-CA 3.31Å; I64-L319 WeakPolarHBondContact O-CB 3.45Å; I64-L319 PolarHBondContact O-N 2.9Å; L66-L319 HydrophobicContact CD1-CD1 3.84Å; L66-L319 HydrophobicContact CG-CD1 4.09Å; F298-L319 HydrophobicContact CD1-CD1 4.17Å; L300-L319 HydrophobicContact CD2-CD2 3.97Å; I317-L319 HydrophobicContact CG2-CD2 4.03Å |
| 320 | N | 90.5 | Very high | 85.5 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | trans | -65 | -49.9 | -173.7 | -175.1 | -44.1 | 0 | 0 | 0 | 113 | G63 N297 G299 V301 E322 R335 | G63-N320 VanDerWaalsContact CA-O 3.28Å; G63-N320 WeakPolarHBondContact CA-O 3.26Å; G63-N320 PolarHBondContact N-O 3.34Å; N297-N320 HydrophobicContact CB-CB 4.23Å; N297-N320 PolarHBondContact ND2-ND2 2.95Å; G299-N320 WeakPolarHBondContact O-CB 3.33Å; G299-N320 PolarHBondContact O-N 3.35Å; V301-N320 HydrophobicContact CG1-CB 3.99Å; N320-E322 VanDerWaalsContact C-N 3.3Å; N320-E322 PolarHBondContact O-N 2.92Å; N320-E322 VanDerWaalsContact OD1-CB 3.31Å; N320-E322 WeakPolarHBondContact OD1-CB 3.15Å; N320-E322 PolarHBondContact OD1-N 3.09Å; N320-R335 VanDerWaalsContact O-CZ 3.24Å; N320-R335 PolarHBondContact O-NH1 3.03Å; N320-R335 PolarHBondContact O-NH2 3.07Å; N320-R335 VanDerWaalsContact O-NH2 3.14Å; N320-R335 PolarHBondContact OD1-NH2 3.46Å | ||
| 321 | G | 88.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 73.4 | 5.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | N297 I323 | N297-G321 PolarHBondContact O-N 3.21Å; G321-I323 PolarHBondContact O-N 3.19Å | ||
| 322 | E | 90.6 | Very high | 84.4 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | trans | -69.3 | 117.1 | 176.8 | -179.7 | 174.8 | -171.9 | 0 | 0 | 112.1 | N297 N320 H324 R330 T331 F356 T360 | N297-E322 HydrophobicContact CB-CB 4.3Å; N297-E322 PolarHBondContact N-O 3.34Å; N320-E322 VanDerWaalsContact C-N 3.3Å; N320-E322 PolarHBondContact O-N 2.92Å; N320-E322 VanDerWaalsContact OD1-CB 3.31Å; N320-E322 WeakPolarHBondContact OD1-CB 3.15Å; N320-E322 PolarHBondContact OD1-N 3.09Å; E322-H324 PolarHBondContact O-ND1 3.18Å; E322-H324 VanDerWaalsContact O-ND1 3.14Å; E322-R330 WeakPolarHBondContact OE1-CA 3.29Å; E322-T331 HydrophobicContact CG-CG2 4.11Å; E322-T331 VanDerWaalsContact OE1-CG2 3.22Å; E322-T331 WeakPolarHBondContact OE1-CG2 3.39Å; E322-T331 PolarHBondContact OE1-N 3.16Å; E322-F356 HydrophobicContact CB-CE1 3.84Å; E322-F356 HydrophobicContact CB-CZ 4.13Å; E322-F356 HydrophobicContact CG-CE1 4.4Å; E322-F356 HydrophobicContact CG-CZ 4.29Å; E322-T360 HydrophobicContact CG-CG2 4.33Å | ||
| 323 | I | 89.1 | Confident | 84.1 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.8 | 172.7 | -65.2 | 170.1 | 0 | 0 | 0 | 110.1 | L255 L294 Y295 I296 G321 V357 T360 L361 S364 | L255-I323 HydrophobicContact CD1-CD1 4.4Å; L255-I323 HydrophobicContact CD1-CG2 3.98Å; L294-I323 HydrophobicContact CB-CG2 4.39Å; L294-I323 HydrophobicContact CD1-CG2 4.14Å; Y295-I323 CarbonylContact O-C 3.55Å; Y295-I323 VanDerWaalsContact O-CA 3.29Å; Y295-I323 WeakPolarHBondContact O-CA 3.4Å; I296-I323 HydrophobicContact CB-CG1 3.92Å; I296-I323 HydrophobicContact CD1-CD1 4.1Å; I296-I323 HydrophobicContact CD1-CG1 3.88Å; I296-I323 HydrophobicContact CG1-CG1 3.78Å; G321-I323 PolarHBondContact O-N 3.19Å; I323-V357 HydrophobicContact CD1-CG1 3.84Å; I323-V357 HydrophobicContact CG1-CG1 4.48Å; I323-T360 PolarHBondContact N-OG1 3.49Å; I323-T360 VanDerWaalsContact N-OG1 3.12Å; I323-T360 CarbonylContact O-C 3.38Å; I323-T360 WeakPolarHBondContact O-CB 3.41Å; I323-T360 VanDerWaalsContact O-O 3.11Å; I323-L361 HydrophobicContact CB-CB 4.08Å; I323-L361 HydrophobicContact CD1-CB 3.84Å; I323-L361 HydrophobicContact CG2-CB 3.98Å; I323-L361 HydrophobicContact CG2-CD1 3.98Å; I323-S364 PolarHBondContact O-OG 3.05Å |
| 324 | H | 88.9 | Confident | 83.6 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.7 | -170.1 | 55.4 | -79.2 | 0 | 0 | 0 | 113.3 | N252 Y295 E322 G326 S329 S364 | N252-H324 PolarHBondContact ND2-NE2 3.48Å; N252-H324 PolarHBondContact OD1-CE1 2.67Å; N252-H324 VanDerWaalsContact OD1-CE1 3.3Å; Y295-H324 WeakPolarHBondContact CB-NE2 3.24Å; Y295-H324 PolarHBondContact N-O 3.48Å; Y295-H324 PolarHBondContact O-N 2.89Å; Y295-H324 PolarHBondContact O-ND1 3.06Å; E322-H324 PolarHBondContact O-ND1 3.18Å; E322-H324 VanDerWaalsContact O-ND1 3.14Å; H324-G326 PolarHBondContact O-N 2.84Å; H324-G326 VanDerWaalsContact O-N 3.12Å; H324-S329 VanDerWaalsContact CB-O 3.3Å; H324-S329 WeakPolarHBondContact CB-O 3.45Å; H324-S364 VanDerWaalsContact CA-OG 3.29Å; H324-S364 WeakPolarHBondContact CA-OG 3.39Å |
| 325 | A | 83.3 | Confident | 83.2 | Confident | 25 Ų | 25 | 54 Ų | 54 | 21% | 0.207 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -81.8 | 80.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L294 S329 S364 I368 | L294-A325 HydrophobicContact CD2-CB 3.89Å; A325-S329 WeakPolarHBondContact O-CB 3.34Å; A325-S364 PolarHBondContact N-OG 2.91Å; A325-I368 HydrophobicContact CB-CG2 3.49Å; A325-I368 VanDerWaalsContact CB-CG2 3.49Å |
| 326 | G | 72.1 | Confident | 83 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 78.9 | 149.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | H324 K328 S329 | H324-G326 PolarHBondContact O-N 2.84Å; H324-G326 VanDerWaalsContact O-N 3.12Å; G326-K328 PolarHBondContact O-N 3.25Å; G326-S329 WeakPolarHBondContact O-CB 3.46Å; G326-S329 PolarHBondContact O-N 2.84Å |
| 327 | L | 64.3 | Low | 82.8 | Confident | 116 Ų | 116 | 62.5 Ų | 62.5 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -9.9 | -161.2 | -59.1 | 171.8 | 0 | 0 | 0 | 117.7 | N252 Y295 | N252-L327 HydrophobicContact CB-CD2 3.64Å; N252-L327 WeakPolarHBondContact ND2-CD2 3.24Å; Y295-L327 HydrophobicContact CD1-CD2 4.33Å |
| 328 | K | 64 | Low | 82.8 | Confident | 209 Ų | 209 | 62.4 Ų | 62.4 | 91% | 0.909 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -11.2 | 176.9 | -67.4 | -173.8 | 178.9 | -179.1 | 0 | 113.8 | G326 | G326-K328 PolarHBondContact O-N 3.25Š|
| 329 | S | 66.5 | Low | 82.9 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | trans | -79.6 | 119.4 | 174.4 | -166.4 | 0 | 0 | 0 | 0 | 108.8 | H324 A325 G326 | H324-S329 VanDerWaalsContact CB-O 3.3Å; H324-S329 WeakPolarHBondContact CB-O 3.45Å; A325-S329 WeakPolarHBondContact O-CB 3.34Å; G326-S329 WeakPolarHBondContact O-CB 3.46Å; G326-S329 PolarHBondContact O-N 2.84Å | ||
| 330 | R | 66.9 | Low | 83 | Confident | 214 Ų | 214 | 68.6 Ų | 68.6 | 81% | 0.808 | 36% | 0.36 | S | S | * | . | trans | -116.6 | 145.9 | 167.3 | -74.9 | -171.6 | 176.5 | -164.2 | -2.9 | 108.9 | E322 | E322-R330 WeakPolarHBondContact OE1-CA 3.29Š| ||
| 331 | T | 74.1 | Confident | 83.1 | Confident | 24 Ų | 24 | 68 Ų | 68 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | trans | -85.4 | 148.2 | 175.2 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | E322 L333 F356 T360 | E322-T331 HydrophobicContact CG-CG2 4.11Å; E322-T331 VanDerWaalsContact OE1-CG2 3.22Å; E322-T331 WeakPolarHBondContact OE1-CG2 3.39Å; E322-T331 PolarHBondContact OE1-N 3.16Å; T331-L333 HydrophobicContact CG2-CB 4.27Å; T331-L333 WeakPolarHBondContact OG1-CB 3.42Å; T331-L333 WeakPolarHBondContact OG1-CD1 3.39Å; T331-L333 VanDerWaalsContact OG1-CG 3.31Å; T331-L333 WeakPolarHBondContact OG1-CG 3.48Å; T331-L333 PolarHBondContact OG1-N 3.21Å; T331-F356 HydrophobicContact CG2-CE2 3.95Å; T331-F356 HydrophobicContact CG2-CZ 3.83Å; T331-T360 HydrophobicContact CG2-CG2 3.42Å; T331-T360 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 332 | N | 80.5 | Confident | 83.2 | Confident | 170 Ų | 170 | 70.3 Ų | 70.3 | 91% | 0.909 | 38% | 0.38 | S | S | * | . | trans | -98.7 | 13.9 | 168.7 | -67.2 | -8.6 | 0 | 0 | 0 | 111.7 | A334 | N332-A334 PolarHBondContact O-N 3.19Š| ||
| 333 | L | 86.6 | Confident | 83.2 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 29% | 0.293 | 38% | 0.376 | S | S | . | . | trans | -67.4 | 129 | 175.5 | -72.2 | 168.7 | 0 | 0 | 0 | 110.3 | T331 F356 N359 T360 N363 | T331-L333 HydrophobicContact CG2-CB 4.27Å; T331-L333 WeakPolarHBondContact OG1-CB 3.42Å; T331-L333 WeakPolarHBondContact OG1-CD1 3.39Å; T331-L333 VanDerWaalsContact OG1-CG 3.31Å; T331-L333 WeakPolarHBondContact OG1-CG 3.48Å; T331-L333 PolarHBondContact OG1-N 3.21Å; L333-F356 HydrophobicContact CB-CD2 4.48Å; L333-F356 HydrophobicContact CB-CE2 4.31Å; L333-N359 HydrophobicContact CD1-CB 3.85Å; L333-N359 WeakPolarHBondContact CD1-O 3.43Å; L333-T360 HydrophobicContact CD1-CG2 4.01Å; L333-N363 HydrophobicContact CD1-CB 4.15Å | ||
| 334 | A | 85.3 | Confident | 82.7 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | trans | -62.3 | 148.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N332 | N332-A334 PolarHBondContact O-N 3.19Š| ||
| 335 | R | 88 | Confident | 82.1 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 16% | 0.155 | 43% | 0.432 | C | S | . | . | trans | -115.2 | 132.5 | 176.1 | -163.9 | -176.2 | -62.5 | -168.4 | -3.1 | 109.6 | P61 N320 F356 | P61-R335 HydrophobicContact CB-CG 4.17Å; P61-R335 HydrophobicContact CG-CG 4.48Å; P61-R335 WeakPolarHBondContact O-CD 3.3Å; P61-R335 PolarHBondContact O-NH1 3.39Å; N320-R335 VanDerWaalsContact O-CZ 3.24Å; N320-R335 PolarHBondContact O-NH1 3.03Å; N320-R335 PolarHBondContact O-NH2 3.07Å; N320-R335 VanDerWaalsContact O-NH2 3.14Å; N320-R335 PolarHBondContact OD1-NH2 3.46Å; R335-F356 HydrophobicContact CB-CD2 3.86Å; R335-F356 HydrophobicContact CB-CE2 4.24Å; R335-F356 HydrophobicContact CB-CG 4.34Å; R335-F356 HydrophobicContact CG-CB 4Å; R335-F356 HydrophobicContact CG-CD1 4.44Å; R335-F356 HydrophobicContact CG-CD2 3.91Å; R335-F356 HydrophobicContact CG-CG 3.86Å | ||
| 336 | H | 90.2 | Very high | 82.1 | Confident | 84 Ų | 84 | 79.5 Ų | 79.5 | 39% | 0.389 | 44% | 0.439 | S | S | . | . | trans | -111.3 | 158.7 | 178.6 | -57.8 | -72.3 | 0 | 0 | 0 | 110.3 | P61 N354 K539 | P61-H336 WeakPolarHBondContact CB-O 3.18Å; H336-N354 PolarHBondContact O-ND2 3.04Å; H336-K539 HydrophobicContact CB-CD 4.04Å; H336-K539 HydrophobicContact CB-CG 4.15Å; H336-K539 PolarHBondContact CD2-NZ 2.97Å; H336-K539 VanDerWaalsContact CD2-NZ 3.28Å | ||
| 337 | T | 92 | Very high | 83.1 | Confident | 105 Ų | 105 | 80.4 Ų | 80.4 | 64% | 0.644 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 140.9 | 163.5 | 45.7 | 0 | 0 | 0 | 0 | 109.9 | P61 K539 | P61-T337 HydrophobicContact CB-CG2 4.44Å; P61-T337 HydrophobicContact CG-CG2 4.12Å; T337-K539 WeakPolarHBondContact O-CB 3.29Å |
| 338 | M | 93.4 | Very high | 84.6 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 142.3 | 170.3 | -179.2 | -175.3 | 65.6 | 0 | 0 | 109.1 | V537 G540 W542 | M338-V537 HydrophobicContact CG-CG2 3.7Å; M338-V537 HydrophobicContact SD-CG2 4.1Å; M338-G540 VanDerWaalsContact SD-CA 3.56Å; M338-W542 HydrophobicContact CE-CD2 4Å; M338-W542 HydrophobicContact CE-CG 4.41Å; M338-W542 HydrophobicContact CE-CH2 4.29Å; M338-W542 HydrophobicContact CE-CZ2 3.5Å; M338-W542 VanDerWaalsContact CE-NE1 3.31Å |
| 339 | D | 94.6 | Very high | 86 | Confident | 85 Ų | 85 | 67 Ų | 67 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 148 | 174 | -82 | 10.7 | 0 | 0 | 0 | 111.5 | V537 F538 W542 | D339-V537 HydrophobicContact CB-CB 3.91Å; D339-V537 HydrophobicContact CB-CG2 4.23Å; D339-F538 HydrophobicContact CB-CB 4.29Å; D339-F538 PolarHBondContact N-O 3.38Å; D339-F538 VanDerWaalsContact N-O 3.12Å; D339-F538 WeakPolarHBondContact OD2-CB 3.46Å; D339-W542 PolarHBondContact O-NE1 3.39Å |
| 340 | D | 93.1 | Very high | 87.2 | Confident | 69 Ų | 69 | 65 Ų | 65 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | trans | -113.6 | 134.3 | -171.2 | -169.7 | 10.3 | 0 | 0 | 0 | 112.6 | R67 K309 W542 | R67-D340 IonicContact CZ-OD1 3.51Å; R67-D340 IonicContact CZ-OD2 2.68Å; R67-D340 IonicContact NH1-OD1 2.76Å; R67-D340 PolarHBondContact NH1-OD1 3.08Å; R67-D340 IonicContact NH1-OD2 2.64Å; R67-D340 PolarHBondContact NH1-OD2 3.24Å; R67-D340 VanDerWaalsContact NH2-CG 3.33Å; R67-D340 IonicContact NH2-OD1 3.42Å; R67-D340 PolarHBondContact NH2-OD1 3.35Å; R67-D340 IonicContact NH2-OD2 3.22Å; R67-D340 PolarHBondContact NH2-OD2 3.18Å; K309-D340 IonicContact NZ-OD1 3.43Å; K309-D340 PolarHBondContact NZ-OD1 2.91Å; K309-D340 IonicContact NZ-OD2 3.38Å; K309-D340 PolarHBondContact NZ-OD2 3.42Å; D340-W542 WeakPolarHBondContact OD1-CZ2 3.38Å | ||
| 341 | I | 92.6 | Very high | 88.5 | Confident | 15 Ų | 15 | 56.2 Ų | 56.2 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | trans | -88.2 | 161.5 | -173.5 | 55.9 | 165.1 | 0 | 0 | 0 | 113.4 | K309 Y350 T535 V537 W542 E544 | K309-I341 VanDerWaalsContact CE-O 3.24Å; K309-I341 WeakPolarHBondContact CE-O 3.22Å; K309-I341 PolarHBondContact NZ-O 3.16Å; I341-Y350 HydrophobicContact CD1-CD1 3.83Å; I341-Y350 HydrophobicContact CD1-CE1 3.9Å; I341-T535 HydrophobicContact CG2-CG2 3.79Å; I341-V537 HydrophobicContact CG2-CG1 3.67Å; I341-W542 HydrophobicContact CD1-CB 3.58Å; I341-W542 HydrophobicContact CD1-CD2 4Å; I341-W542 HydrophobicContact CD1-CE3 4.41Å; I341-W542 HydrophobicContact CD1-CG 3.65Å; I341-W542 HydrophobicContact CG1-CB 4.21Å; I341-W542 HydrophobicContact CG1-CD2 3.87Å; I341-W542 HydrophobicContact CG1-CG 3.73Å; I341-W542 HydrophobicContact CG2-CB 4.39Å; I341-W542 HydrophobicContact CG2-CG 4.01Å; I341-E544 HydrophobicContact CD1-CG 4.22Å | ||
| 342 | G | 91.1 | Very high | 89.4 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | trans | -66.6 | 148.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 343 | M | 90.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -109.7 | 14.8 | -178.6 | -64.3 | -179.8 | 71.3 | 0 | 0 | 112.9 | R67 T69 K309 T312 F314 G345 N346 Y350 | R67-M343 HydrophobicContact CB-CE 4.49Å; T69-M343 HydrophobicContact CG2-CE 3.81Å; K309-M343 HydrophobicContact CB-SD 4.15Å; K309-M343 HydrophobicContact CD-CG 4.37Å; K309-M343 HydrophobicContact CD-SD 4.36Å; T312-M343 HydrophobicContact CG2-CB 4.12Å; T312-M343 HydrophobicContact CG2-CE 4.15Å; T312-M343 PolarHBondContact OG1-O 2.84Å; F314-M343 HydrophobicContact CB-CE 4.24Å; F314-M343 HydrophobicContact CD1-CE 3.61Å; F314-M343 HydrophobicContact CD1-SD 3.65Å; F314-M343 HydrophobicContact CE1-CE 4.1Å; F314-M343 HydrophobicContact CE1-SD 3.48Å; F314-M343 WeakPolarHBondContact CE1-SD 3.49Å; F314-M343 HydrophobicContact CG-CE 3.92Å; F314-M343 HydrophobicContact CG-SD 4.36Å; F314-M343 HydrophobicContact CZ-SD 4.06Å; M343-G345 PolarHBondContact O-N 3.13Å; M343-N346 PolarHBondContact O-N 2.96Å; M343-Y350 HydrophobicContact CE-CD2 3.58Å; M343-Y350 HydrophobicContact CE-CE2 3.7Å; M343-Y350 HydrophobicContact CE-CG 4.09Å; M343-Y350 HydrophobicContact CG-CE1 4.29Å | ||
| 344 | N | 79 | Confident | 90.3 | Very high | 144 Ų | 144 | 45.8 Ų | 45.8 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23 | -176.8 | -52.9 | 10.6 | 0 | 0 | 0 | 113.6 | N346 | N344-N346 PolarHBondContact O-N 2.9Š|
| 345 | G | 77 | Confident | 90.7 | Very high | 50 Ų | 50 | 42.4 Ų | 42.4 | 52% | 0.515 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M343 K347 | M343-G345 PolarHBondContact O-N 3.13Å; G345-K347 PolarHBondContact O-N 3.18Å; G345-K347 VanDerWaalsContact O-N 3.08Å |
| 346 | N | 82.5 | Confident | 91 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 35% | 0.353 | 24% | 0.239 | S | C | . | . | trans | 51.4 | 34.7 | 172.7 | -93 | -12.6 | 0 | 0 | 0 | 114.1 | N71 T312 M343 N344 | N71-N346 PolarHBondContact ND2-O 3.1Å; T312-N346 PolarHBondContact OG1-OD1 2.98Å; M343-N346 PolarHBondContact O-N 2.96Å; N344-N346 PolarHBondContact O-N 2.9Å | ||
| 347 | K | 93.3 | Very high | 91.1 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 18% | 0.183 | 22% | 0.224 | C | C | . | . | trans | -69.6 | 159.2 | 179.6 | -56.6 | -82.6 | -171.1 | 166.7 | 0 | 110.8 | T69 G345 Y350 N531 E544 N546 | T69-K347 WeakPolarHBondContact CB-O 3.23Å; T69-K347 WeakPolarHBondContact CG2-O 3.43Å; T69-K347 PolarHBondContact OG1-O 3.17Å; G345-K347 PolarHBondContact O-N 3.18Å; G345-K347 VanDerWaalsContact O-N 3.08Å; K347-Y350 HydrophobicContact CB-CD2 4.45Å; K347-Y350 HydrophobicContact CB-CE2 3.67Å; K347-Y350 HydrophobicContact CG-CE2 4.48Å; K347-Y350 WeakPolarHBondContact CG-OH 3.38Å; K347-Y350 PolarHBondContact N-OH 2.75Å; K347-N531 PolarHBondContact NZ-O 3.04Å; K347-E544 HydrophobicContact CB-CB 4.21Å; K347-E544 HydrophobicContact CD-CB 4.42Å; K347-E544 HydrophobicContact CG-CB 3.76Å; K347-N546 WeakPolarHBondContact CD-OD1 3.3Å | ||
| 348 | M | 95 | Very high | 91 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -76.2 | -35.3 | -175.7 | -63.3 | 170.2 | 167.7 | 0 | 0 | 113 | T69 N71 E75 L545 N546 F547 | T69-M348 PolarHBondContact N-O 2.65Å; T69-M348 VanDerWaalsContact N-O 3.09Å; T69-M348 PolarHBondContact OG1-O 3.46Å; N71-M348 HydrophobicContact CB-CG 4.5Å; E75-M348 HydrophobicContact CB-CE 3.73Å; E75-M348 HydrophobicContact CB-SD 4.05Å; E75-M348 HydrophobicContact CG-CE 4.07Å; E75-M348 HydrophobicContact CG-SD 4.15Å; M348-L545 PolarHBondContact N-O 2.99Å; M348-L545 VanDerWaalsContact N-O 3.16Å; M348-N546 HydrophobicContact CG-CB 4.44Å; M348-N546 PolarHBondContact N-OD1 2.85Å; M348-N546 HydrophobicContact SD-CB 3.94Å; M348-F547 HydrophobicContact CB-CD1 3.95Å; M348-F547 HydrophobicContact CB-CE1 3.67Å; M348-F547 HydrophobicContact CB-CZ 4.01Å; M348-F547 HydrophobicContact SD-CD2 4.29Å; M348-F547 HydrophobicContact SD-CE2 4.41Å; M348-F547 HydrophobicContact SD-CG 4.47Å; M348-F547 PolarHBondContact SD-N 2.79Å |
| 349 | L | 93.5 | Very high | 91 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.3 | -176.7 | 173.8 | 64.3 | 0 | 0 | 0 | 110.4 | R67 I68 I351 M529 L545 F547 | R67-L349 WeakPolarHBondContact O-CA 3.5Å; I68-L349 HydrophobicContact CG1-CD1 4.04Å; L349-I351 HydrophobicContact CD1-CG1 4.28Å; L349-I351 HydrophobicContact CD2-CD1 4.09Å; L349-I351 HydrophobicContact CD2-CG1 4.2Å; L349-I351 HydrophobicContact CG-CD1 4.47Å; L349-I351 HydrophobicContact CG-CG1 4.03Å; L349-M529 HydrophobicContact CD2-CE 3.8Å; L349-L545 HydrophobicContact CB-CB 4.32Å; L349-L545 HydrophobicContact CD2-CD1 4.22Å; L349-L545 PolarHBondContact N-O 3.29Å; L349-L545 PolarHBondContact O-N 3.42Å; L349-F547 HydrophobicContact CB-CD1 3.96Å; L349-F547 HydrophobicContact CB-CE1 4.02Å |
| 350 | Y | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.3 | 170.2 | -69.7 | -103.3 | 0 | 0 | 0 | 109 | L66 R67 T69 I341 M343 K347 I543 E544 | L66-Y350 CarbonylContact C-O 3.56Å; L66-Y350 WeakPolarHBondContact CA-O 3.37Å; R67-Y350 PolarHBondContact N-O 3.38Å; R67-Y350 PolarHBondContact O-N 2.72Å; T69-Y350 HydrophobicContact CG2-CD2 4Å; T69-Y350 HydrophobicContact CG2-CE2 3.85Å; I341-Y350 HydrophobicContact CD1-CD1 3.83Å; I341-Y350 HydrophobicContact CD1-CE1 3.9Å; M343-Y350 HydrophobicContact CE-CD2 3.58Å; M343-Y350 HydrophobicContact CE-CE2 3.7Å; M343-Y350 HydrophobicContact CE-CG 4.09Å; M343-Y350 HydrophobicContact CG-CE1 4.29Å; K347-Y350 HydrophobicContact CB-CD2 4.45Å; K347-Y350 HydrophobicContact CB-CE2 3.67Å; K347-Y350 HydrophobicContact CG-CE2 4.48Å; K347-Y350 WeakPolarHBondContact CG-OH 3.38Å; K347-Y350 PolarHBondContact N-OH 2.75Å; Y350-I543 CarbonylContact C-O 3.55Å; Y350-I543 WeakPolarHBondContact CA-O 3.47Å; Y350-E544 HydrophobicContact CD1-CB 4.03Å; Y350-E544 HydrophobicContact CD1-CG 3.79Å; Y350-E544 HydrophobicContact CE1-CB 3.81Å; Y350-E544 HydrophobicContact CE1-CG 3.47Å; Y350-E544 VanDerWaalsContact CE1-CG 3.47Å; Y350-E544 WeakPolarHBondContact CE1-OE2 3.36Å; Y350-E544 VanDerWaalsContact CZ-OE2 3.28Å; Y350-E544 PolarHBondContact OH-OE2 3.22Å |
| 351 | I | 92.2 | Very high | 90.8 | Very high | 29 Ų | 29 | 24.4 Ų | 24.4 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 104.9 | 177.9 | -52.3 | -178.3 | 0 | 0 | 0 | 108.5 | I64 L66 L349 I353 W542 I543 L545 | I64-I351 HydrophobicContact CG2-CG2 4.23Å; L66-I351 HydrophobicContact CD2-CB 4.28Å; L66-I351 HydrophobicContact CD2-CD1 4.37Å; L66-I351 HydrophobicContact CD2-CG1 3.87Å; L66-I351 HydrophobicContact CD2-CG2 3.9Å; L349-I351 HydrophobicContact CD1-CG1 4.28Å; L349-I351 HydrophobicContact CD2-CD1 4.09Å; L349-I351 HydrophobicContact CD2-CG1 4.2Å; L349-I351 HydrophobicContact CG-CD1 4.47Å; L349-I351 HydrophobicContact CG-CG1 4.03Å; I351-I353 HydrophobicContact CG2-CD1 4.39Å; I351-I353 HydrophobicContact CG2-CG1 4.02Å; I351-W542 CarbonylContact O-C 3.43Å; I351-W542 WeakPolarHBondContact O-CA 3.47Å; I351-I543 HydrophobicContact CB-CB 4.31Å; I351-I543 PolarHBondContact N-O 3.07Å; I351-I543 PolarHBondContact O-N 2.88Å; I351-L545 HydrophobicContact CD1-CD1 3.77Å; I351-L545 HydrophobicContact CG1-CD1 4.3Å |
| 352 | G | 93 | Very high | 90.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 134 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I64 L65 L541 | I64-G352 CarbonylContact C-O 3.55Å; I64-G352 WeakPolarHBondContact CA-O 3.5Å; L65-G352 PolarHBondContact N-O 3.41Å; L65-G352 PolarHBondContact O-N 3.22Å; G352-L541 CarbonylContact C-O 3.49Å; G352-L541 WeakPolarHBondContact CA-O 3.33Å |
| 353 | I | 92.9 | Very high | 90.7 | Very high | 27 Ų | 27 | 22.6 Ų | 22.6 | 14% | 0.138 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 111.8 | 176 | -54.4 | -178.4 | 0 | 0 | 0 | 108.7 | I351 V357 G540 L541 I543 | I351-I353 HydrophobicContact CG2-CD1 4.39Å; I351-I353 HydrophobicContact CG2-CG1 4.02Å; I353-V357 HydrophobicContact CG2-CB 4.1Å; I353-V357 HydrophobicContact CG2-CG1 4.45Å; I353-V357 HydrophobicContact CG2-CG2 4.17Å; I353-G540 CarbonylContact O-C 3.28Å; I353-G540 WeakPolarHBondContact O-CA 3.37Å; I353-L541 HydrophobicContact CB-CD1 4.11Å; I353-L541 HydrophobicContact CD1-CD1 4.24Å; I353-L541 HydrophobicContact CG1-CD1 4.26Å; I353-L541 PolarHBondContact N-O 3.17Å; I353-L541 PolarHBondContact O-N 2.89Å; I353-I543 HydrophobicContact CD1-CD1 3.93Å |
| 354 | N | 94.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 148.6 | -179.2 | -164.5 | -66.7 | 0 | 0 | 0 | 111.6 | A62 G63 H336 F356 V357 | A62-N354 PolarHBondContact O-ND2 2.98Å; G63-N354 WeakPolarHBondContact O-CB 3.22Å; G63-N354 PolarHBondContact O-N 3.23Å; H336-N354 PolarHBondContact O-ND2 3.04Å; N354-F356 HydrophobicContact CB-CB 4.35Å; N354-F356 PolarHBondContact O-N 3.01Å; N354-F356 VanDerWaalsContact OD1-CB 3.24Å; N354-F356 WeakPolarHBondContact OD1-CB 3.04Å; N354-F356 PolarHBondContact OD1-N 3.32Å; N354-V357 PolarHBondContact O-N 3.34Å |
| 355 | E | 93.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.028 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.2 | -25.7 | 174.8 | 73.7 | 176.6 | -162.6 | 0 | 0 | 112.7 | V357 V358 N359 H425 F426 K539 | E355-V357 VanDerWaalsContact C-N 3.3Å; E355-V357 PolarHBondContact O-N 3Å; E355-V358 PolarHBondContact O-N 2.98Å; E355-N359 PolarHBondContact O-N 3.24Å; E355-N359 PolarHBondContact O-ND2 2.87Å; E355-H425 IonicContact OE1-ND1 2.75Å; E355-H425 WeakPolarHBondContact OE2-CA 3.47Å; E355-H425 IonicContact OE2-CE1 2.72Å; E355-H425 IonicContact OE2-CG 2.68Å; E355-H425 IonicContact OE2-ND1 3.49Å; E355-H425 PolarHBondContact OE2-ND1 2.84Å; E355-F426 HydrophobicContact CB-CB 4.26Å; E355-F426 HydrophobicContact CB-CD2 3.32Å; E355-F426 HydrophobicContact CB-CE2 3.9Å; E355-F426 HydrophobicContact CB-CG 4.06Å; E355-F426 PolarHBondContact OE2-N 3.4Å; E355-F426 VanDerWaalsContact OE2-N 3.07Å; E355-K539 HydrophobicContact CG-CD 4.13Å; E355-K539 PolarHBondContact N-O 3.01Å; E355-K539 WeakPolarHBondContact OE1-CD 3.1Å; E355-K539 WeakPolarHBondContact OE1-CE 3.29Å; E355-K539 IonicContact OE1-NZ 3.47Å; E355-K539 PolarHBondContact OE1-NZ 2.99Å |
| 356 | F | 94.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 14.8 Ų | 14.8 | 4% | 0.039 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -54.4 | -39.4 | 171.8 | 177.4 | -90.9 | 0 | 0 | 0 | 113.3 | E322 T331 L333 R335 N354 V358 N359 T360 | E322-F356 HydrophobicContact CB-CE1 3.84Å; E322-F356 HydrophobicContact CB-CZ 4.13Å; E322-F356 HydrophobicContact CG-CE1 4.4Å; E322-F356 HydrophobicContact CG-CZ 4.29Å; T331-F356 HydrophobicContact CG2-CE2 3.95Å; T331-F356 HydrophobicContact CG2-CZ 3.83Å; L333-F356 HydrophobicContact CB-CD2 4.48Å; L333-F356 HydrophobicContact CB-CE2 4.31Å; R335-F356 HydrophobicContact CB-CD2 3.86Å; R335-F356 HydrophobicContact CB-CE2 4.24Å; R335-F356 HydrophobicContact CB-CG 4.34Å; R335-F356 HydrophobicContact CG-CB 4Å; R335-F356 HydrophobicContact CG-CD1 4.44Å; R335-F356 HydrophobicContact CG-CD2 3.91Å; R335-F356 HydrophobicContact CG-CG 3.86Å; N354-F356 HydrophobicContact CB-CB 4.35Å; N354-F356 PolarHBondContact O-N 3.01Å; N354-F356 VanDerWaalsContact OD1-CB 3.24Å; N354-F356 WeakPolarHBondContact OD1-CB 3.04Å; N354-F356 PolarHBondContact OD1-N 3.32Å; F356-V358 PolarHBondContact O-N 2.8Å; F356-N359 PolarHBondContact O-N 2.72Å; F356-T360 HydrophobicContact CD1-CG2 4.03Å; F356-T360 HydrophobicContact CD2-CG2 4.04Å; F356-T360 HydrophobicContact CE1-CG2 3.63Å; F356-T360 HydrophobicContact CE2-CG2 3.66Å; F356-T360 HydrophobicContact CG-CG2 4.21Å; F356-T360 HydrophobicContact CZ-CG2 3.43Å; F356-T360 VanDerWaalsContact CZ-CG2 3.43Å; F356-T360 WeakPolarHBondContact O-CB 3.45Å; F356-T360 VanDerWaalsContact O-CG2 3.27Å; F356-T360 WeakPolarHBondContact O-CG2 3.29Å; F356-T360 PolarHBondContact O-N 2.79Å; F356-T360 PolarHBondContact O-OG1 3.12Å |
| 357 | V | 92 | Very high | 92 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 8% | 0.079 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | -178.7 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | G63 I64 I323 I353 N354 E355 T360 L361 | G63-V357 WeakPolarHBondContact O-CG2 3.17Å; I64-V357 HydrophobicContact CG1-CG2 3.91Å; I323-V357 HydrophobicContact CD1-CG1 3.84Å; I323-V357 HydrophobicContact CG1-CG1 4.48Å; I353-V357 HydrophobicContact CG2-CB 4.1Å; I353-V357 HydrophobicContact CG2-CG1 4.45Å; I353-V357 HydrophobicContact CG2-CG2 4.17Å; N354-V357 PolarHBondContact O-N 3.34Å; E355-V357 VanDerWaalsContact C-N 3.3Å; E355-V357 PolarHBondContact O-N 3Å; V357-T360 PolarHBondContact O-OG1 3.07Å; V357-T360 VanDerWaalsContact O-OG1 3.06Å; V357-L361 WeakPolarHBondContact O-CB 3.02Å; V357-L361 PolarHBondContact O-N 2.95Å |
| 358 | V | 91.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.018 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.3 | -45.2 | 176.6 | 166.8 | 0 | 0 | 0 | 0 | 111.6 | F21 L25 E355 F356 T360 L361 L362 V424 F426 | F21-V358 HydrophobicContact CE1-CG2 4.04Å; L25-V358 HydrophobicContact CB-CG1 4.29Å; L25-V358 HydrophobicContact CD1-CB 4.34Å; L25-V358 HydrophobicContact CD1-CG1 3.67Å; L25-V358 HydrophobicContact CD1-CG2 3.68Å; L25-V358 HydrophobicContact CD2-CG1 4.42Å; L25-V358 HydrophobicContact CG-CG1 4.32Å; E355-V358 PolarHBondContact O-N 2.98Å; F356-V358 PolarHBondContact O-N 2.8Å; V358-T360 PolarHBondContact O-N 2.91Å; V358-L361 WeakPolarHBondContact O-CB 3.3Å; V358-L361 PolarHBondContact O-N 2.88Å; V358-L362 HydrophobicContact CG1-CD1 3.73Å; V358-L362 HydrophobicContact CG1-CG 4.33Å; V358-L362 WeakPolarHBondContact O-CG 3.45Å; V358-L362 PolarHBondContact O-N 2.85Å; V358-V424 HydrophobicContact CG1-CB 3.72Å; V358-V424 HydrophobicContact CG1-CG1 3.97Å; V358-V424 HydrophobicContact CG1-CG2 3.79Å; V358-F426 HydrophobicContact CB-CE2 4.16Å; V358-F426 HydrophobicContact CG2-CE2 4.02Å; V358-F426 HydrophobicContact CG2-CZ 3.86Å |
| 359 | N | 93.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 17.3 Ų | 17.3 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -68.8 | -34.6 | -177.4 | -73.8 | -60 | 0 | 0 | 0 | 112.5 | L333 E355 F356 L362 N363 F423 V424 | L333-N359 HydrophobicContact CD1-CB 3.85Å; L333-N359 WeakPolarHBondContact CD1-O 3.43Å; E355-N359 PolarHBondContact O-N 3.24Å; E355-N359 PolarHBondContact O-ND2 2.87Å; F356-N359 PolarHBondContact O-N 2.72Å; N359-L362 PolarHBondContact O-N 2.94Å; N359-N363 VanDerWaalsContact O-CB 3.24Å; N359-N363 WeakPolarHBondContact O-CB 3.46Å; N359-N363 PolarHBondContact O-N 3.08Å; N359-F423 HydrophobicContact CB-CD2 4.46Å; N359-F423 HydrophobicContact CB-CE2 4.35Å; N359-F423 WeakPolarHBondContact OD1-CA 3.24Å; N359-F423 WeakPolarHBondContact OD1-CD2 3.32Å; N359-V424 PolarHBondContact ND2-O 2.98Å; N359-V424 PolarHBondContact OD1-N 3.11Å; N359-V424 PolarHBondContact OD1-O 2.77Å |
| 360 | T | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 173.7 | 54 | 0 | 0 | 0 | 0 | 112.4 | E322 I323 T331 L333 F356 V357 V358 N363 S364 | E322-T360 HydrophobicContact CG-CG2 4.33Å; I323-T360 PolarHBondContact N-OG1 3.49Å; I323-T360 VanDerWaalsContact N-OG1 3.12Å; I323-T360 CarbonylContact O-C 3.38Å; I323-T360 WeakPolarHBondContact O-CB 3.41Å; I323-T360 VanDerWaalsContact O-O 3.11Å; T331-T360 HydrophobicContact CG2-CG2 3.42Å; T331-T360 VanDerWaalsContact CG2-CG2 3.42Å; L333-T360 HydrophobicContact CD1-CG2 4.01Å; F356-T360 HydrophobicContact CD1-CG2 4.03Å; F356-T360 HydrophobicContact CD2-CG2 4.04Å; F356-T360 HydrophobicContact CE1-CG2 3.63Å; F356-T360 HydrophobicContact CE2-CG2 3.66Å; F356-T360 HydrophobicContact CG-CG2 4.21Å; F356-T360 HydrophobicContact CZ-CG2 3.43Å; F356-T360 VanDerWaalsContact CZ-CG2 3.43Å; F356-T360 WeakPolarHBondContact O-CB 3.45Å; F356-T360 VanDerWaalsContact O-CG2 3.27Å; F356-T360 WeakPolarHBondContact O-CG2 3.29Å; F356-T360 PolarHBondContact O-N 2.79Å; F356-T360 PolarHBondContact O-OG1 3.12Å; V357-T360 PolarHBondContact O-OG1 3.07Å; V357-T360 VanDerWaalsContact O-OG1 3.06Å; V358-T360 PolarHBondContact O-N 2.91Å; T360-N363 PolarHBondContact O-N 2.96Å; T360-S364 WeakPolarHBondContact O-CB 3.4Å; T360-S364 PolarHBondContact O-N 3.47Å; T360-S364 PolarHBondContact O-OG 2.81Å; T360-S364 VanDerWaalsContact O-OG 3.05Å |
| 361 | L | 90.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.3 | -52.4 | 169.3 | 165.7 | 68 | 0 | 0 | 0 | 112.2 | I22 L294 I323 V357 V358 N363 S364 L365 | I22-L361 HydrophobicContact CB-CD2 4.33Å; I22-L361 HydrophobicContact CD1-CD1 3.93Å; I22-L361 HydrophobicContact CD1-CD2 3.54Å; I22-L361 HydrophobicContact CD1-CG 4.36Å; I22-L361 HydrophobicContact CG1-CD2 3.57Å; I22-L361 HydrophobicContact CG2-CD2 4Å; L294-L361 HydrophobicContact CD1-CD1 3.59Å; I323-L361 HydrophobicContact CB-CB 4.08Å; I323-L361 HydrophobicContact CD1-CB 3.84Å; I323-L361 HydrophobicContact CG2-CB 3.98Å; I323-L361 HydrophobicContact CG2-CD1 3.98Å; V357-L361 WeakPolarHBondContact O-CB 3.02Å; V357-L361 PolarHBondContact O-N 2.95Å; V358-L361 WeakPolarHBondContact O-CB 3.3Å; V358-L361 PolarHBondContact O-N 2.88Å; L361-N363 VanDerWaalsContact C-N 3.32Å; L361-N363 PolarHBondContact O-N 2.85Å; L361-S364 PolarHBondContact O-N 3.43Å; L361-S364 VanDerWaalsContact O-N 3.13Å; L361-L365 HydrophobicContact CD1-CD1 3.76Å; L361-L365 HydrophobicContact CD1-CG 3.88Å; L361-L365 HydrophobicContact CG-CD1 3.97Å; L361-L365 HydrophobicContact CG-CG 4.43Å; L361-L365 WeakPolarHBondContact O-CB 3.24Å; L361-L365 WeakPolarHBondContact O-CG 3.36Å; L361-L365 PolarHBondContact O-N 3.24Å |
| 362 | L | 89.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.4 | -37.8 | -177.8 | -69.2 | 171 | 0 | 0 | 0 | 112 | L25 V358 N359 Y366 P422 V424 | L25-L362 HydrophobicContact CB-CD1 4.3Å; L25-L362 HydrophobicContact CB-CD2 4.28Å; L25-L362 WeakPolarHBondContact O-CD2 3.46Å; V358-L362 HydrophobicContact CG1-CD1 3.73Å; V358-L362 HydrophobicContact CG1-CG 4.33Å; V358-L362 WeakPolarHBondContact O-CG 3.45Å; V358-L362 PolarHBondContact O-N 2.85Å; N359-L362 PolarHBondContact O-N 2.94Å; L362-Y366 VanDerWaalsContact O-CB 3.28Å; L362-Y366 WeakPolarHBondContact O-CB 3.42Å; L362-Y366 PolarHBondContact O-N 3.05Å; L362-P422 HydrophobicContact CD1-CB 4.36Å; L362-V424 HydrophobicContact CD1-CB 4.36Å; L362-V424 HydrophobicContact CD1-CG2 3.48Å; L362-V424 VanDerWaalsContact CD1-CG2 3.48Å |
| 363 | N | 91.7 | Very high | 89.7 | Confident | 25 Ų | 25 | 18.6 Ų | 18.6 | 13% | 0.134 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 171.7 | -171.2 | 71.5 | 0 | 0 | 0 | 112.1 | L333 N359 T360 L361 Y366 H367 A421 | L333-N363 HydrophobicContact CD1-CB 4.15Å; N359-N363 VanDerWaalsContact O-CB 3.24Å; N359-N363 WeakPolarHBondContact O-CB 3.46Å; N359-N363 PolarHBondContact O-N 3.08Å; T360-N363 PolarHBondContact O-N 2.96Å; L361-N363 VanDerWaalsContact C-N 3.32Å; L361-N363 PolarHBondContact O-N 2.85Å; N363-Y366 WeakPolarHBondContact O-CB 3.17Å; N363-Y366 PolarHBondContact O-N 2.86Å; N363-H367 PolarHBondContact ND2-CD2 3.32Å; N363-H367 PolarHBondContact ND2-NE2 3.45Å; N363-H367 PolarHBondContact O-CD2 3.48Å; N363-H367 PolarHBondContact O-N 2.97Å; N363-H367 PolarHBondContact OD1-NE2 2.92Å; N363-A421 HydrophobicContact CB-CB 4.16Å |
| 364 | S | 90.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.3 | -43.2 | 178.3 | -69.3 | 0 | 0 | 0 | 0 | 113 | I323 H324 A325 T360 L361 Y366 H367 I368 | I323-S364 PolarHBondContact O-OG 3.05Å; H324-S364 VanDerWaalsContact CA-OG 3.29Å; H324-S364 WeakPolarHBondContact CA-OG 3.39Å; A325-S364 PolarHBondContact N-OG 2.91Å; T360-S364 WeakPolarHBondContact O-CB 3.4Å; T360-S364 PolarHBondContact O-N 3.47Å; T360-S364 PolarHBondContact O-OG 2.81Å; T360-S364 VanDerWaalsContact O-OG 3.05Å; L361-S364 PolarHBondContact O-N 3.43Å; L361-S364 VanDerWaalsContact O-N 3.13Å; S364-Y366 VanDerWaalsContact C-N 3.26Å; S364-Y366 PolarHBondContact O-N 3.44Å; S364-H367 PolarHBondContact O-N 2.93Å; S364-I368 WeakPolarHBondContact O-CG1 3.37Å; S364-I368 PolarHBondContact O-N 2.69Å |
| 365 | L | 87.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.4 | -37.4 | 172.3 | -72.3 | 173.9 | 0 | 0 | 0 | 111.9 | I22 L287 A290 L294 L361 G369 A370 L371 | I22-L365 HydrophobicContact CG2-CD1 3.78Å; L287-L365 HydrophobicContact CD1-CD1 3.81Å; L287-L365 HydrophobicContact CD1-CD2 3.65Å; L287-L365 HydrophobicContact CD1-CG 4.4Å; A290-L365 HydrophobicContact CB-CD2 3.84Å; L294-L365 HydrophobicContact CD1-CD2 3.76Å; L294-L365 HydrophobicContact CD1-CG 4.06Å; L361-L365 HydrophobicContact CD1-CD1 3.76Å; L361-L365 HydrophobicContact CD1-CG 3.88Å; L361-L365 HydrophobicContact CG-CD1 3.97Å; L361-L365 HydrophobicContact CG-CG 4.43Å; L361-L365 WeakPolarHBondContact O-CB 3.24Å; L361-L365 WeakPolarHBondContact O-CG 3.36Å; L361-L365 PolarHBondContact O-N 3.24Å; L365-G369 PolarHBondContact O-N 2.99Å; L365-A370 HydrophobicContact CB-CB 4.14Å; L365-A370 HydrophobicContact CD2-CB 3.69Å; L365-A370 VanDerWaalsContact O-CB 3.3Å; L365-A370 WeakPolarHBondContact O-CB 3.46Å; L365-A370 PolarHBondContact O-N 3.06Å; L365-L371 HydrophobicContact CB-CD1 4.14Å; L365-L371 HydrophobicContact CB-CD2 3.91Å; L365-L371 HydrophobicContact CB-CG 3.82Å; L365-L371 HydrophobicContact CD1-CD2 4.15Å |
| 366 | Y | 88.3 | Confident | 88.5 | Confident | 27 Ų | 27 | 21.8 Ų | 21.8 | 11% | 0.106 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.2 | -50.8 | 172.7 | 163.7 | -130.5 | 0 | 0 | 0 | 112.3 | R32 L362 N363 S364 I368 G369 V418 N419 A421 | R32-Y366 PolarHBondContact NE-OH 3.29Å; R32-Y366 PolarHBondContact NH1-OH 3.16Å; R32-Y366 PolarHBondContact NH2-OH 3.19Å; L362-Y366 VanDerWaalsContact O-CB 3.28Å; L362-Y366 WeakPolarHBondContact O-CB 3.42Å; L362-Y366 PolarHBondContact O-N 3.05Å; N363-Y366 WeakPolarHBondContact O-CB 3.17Å; N363-Y366 PolarHBondContact O-N 2.86Å; S364-Y366 VanDerWaalsContact C-N 3.26Å; S364-Y366 PolarHBondContact O-N 3.44Å; Y366-I368 VanDerWaalsContact C-N 3.29Å; Y366-I368 PolarHBondContact O-N 3.38Å; Y366-G369 PolarHBondContact O-N 2.83Å; Y366-V418 HydrophobicContact CD2-CB 3.68Å; Y366-V418 HydrophobicContact CD2-CG1 3.22Å; Y366-V418 HydrophobicContact CE2-CB 4.03Å; Y366-V418 HydrophobicContact CE2-CG1 3.52Å; Y366-V418 HydrophobicContact CG-CG1 3.94Å; Y366-N419 PolarHBondContact OH-O 2.94Å; Y366-A421 HydrophobicContact CD1-CB 3.71Å; Y366-A421 HydrophobicContact CE1-CB 4.3Å; Y366-A421 HydrophobicContact CG-CB 4.33Å |
| 367 | H | 88.8 | Confident | 88 | Confident | 117 Ų | 117 | 21.8 Ų | 21.8 | 54% | 0.542 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -62.5 | -32 | -176.6 | -78.3 | -64.1 | 0 | 0 | 0 | 113.9 | N363 S364 G369 | N363-H367 PolarHBondContact ND2-CD2 3.32Å; N363-H367 PolarHBondContact ND2-NE2 3.45Å; N363-H367 PolarHBondContact O-CD2 3.48Å; N363-H367 PolarHBondContact O-N 2.97Å; N363-H367 PolarHBondContact OD1-NE2 2.92Å; S364-H367 PolarHBondContact O-N 2.93Å; H367-G369 VanDerWaalsContact C-N 3.31Å |
| 368 | I | 87.7 | Confident | 87.5 | Confident | 55 Ų | 55 | 27.1 Ų | 27.1 | 28% | 0.282 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 5.9 | 174.3 | 68.5 | -172.6 | 0 | 0 | 0 | 113.6 | A290 Q293 L294 A325 S364 Y366 A370 | A290-I368 HydrophobicContact CB-CD1 3.88Å; Q293-I368 HydrophobicContact CB-CD1 4.49Å; L294-I368 HydrophobicContact CD2-CD1 3.84Å; L294-I368 HydrophobicContact CG-CD1 4.27Å; A325-I368 HydrophobicContact CB-CG2 3.49Å; A325-I368 VanDerWaalsContact CB-CG2 3.49Å; S364-I368 WeakPolarHBondContact O-CG1 3.37Å; S364-I368 PolarHBondContact O-N 2.69Å; Y366-I368 VanDerWaalsContact C-N 3.29Å; Y366-I368 PolarHBondContact O-N 3.38Å; I368-A370 HydrophobicContact CD1-CB 4.24Å; I368-A370 HydrophobicContact CG1-CB 3.89Å; I368-A370 PolarHBondContact O-N 2.98Å |
| 369 | G | 87.3 | Confident | 86.7 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 27.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K286 L365 Y366 H367 L371 N372 | K286-G369 WeakPolarHBondContact CE-O 3.16Å; K286-G369 PolarHBondContact NZ-O 2.71Å; L365-G369 PolarHBondContact O-N 2.99Å; Y366-G369 PolarHBondContact O-N 2.83Å; H367-G369 VanDerWaalsContact C-N 3.31Å; G369-L371 VanDerWaalsContact C-N 3.32Å; G369-N372 VanDerWaalsContact O-CB 3.29Å; G369-N372 WeakPolarHBondContact O-CB 3.28Å; G369-N372 PolarHBondContact O-N 3.44Å |
| 370 | A | 84.7 | Confident | 85.7 | Confident | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | K286 A290 L365 I368 N372 | K286-A370 VanDerWaalsContact CE-O 3.3Å; K286-A370 WeakPolarHBondContact CE-O 3.33Å; A290-A370 HydrophobicContact CB-CB 3.35Å; L365-A370 HydrophobicContact CB-CB 4.14Å; L365-A370 HydrophobicContact CD2-CB 3.69Å; L365-A370 VanDerWaalsContact O-CB 3.3Å; L365-A370 WeakPolarHBondContact O-CB 3.46Å; L365-A370 PolarHBondContact O-N 3.06Å; I368-A370 HydrophobicContact CD1-CB 4.24Å; I368-A370 HydrophobicContact CG1-CB 3.89Å; I368-A370 PolarHBondContact O-N 2.98Å; A370-N372 PolarHBondContact O-N 2.95Å |
| 371 | L | 83.5 | Confident | 84.9 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 11.4 | 178.4 | -53.6 | 177.7 | 0 | 0 | 0 | 113.5 | A30 F283 L365 G369 V418 P422 | A30-L371 WeakPolarHBondContact CB-O 3.46Å; F283-L371 HydrophobicContact CZ-CD2 4.34Å; L365-L371 HydrophobicContact CB-CD1 4.14Å; L365-L371 HydrophobicContact CB-CD2 3.91Å; L365-L371 HydrophobicContact CB-CG 3.82Å; L365-L371 HydrophobicContact CD1-CD2 4.15Å; G369-L371 VanDerWaalsContact C-N 3.32Å; L371-V418 HydrophobicContact CB-CB 4.35Å; L371-V418 HydrophobicContact CB-CG2 3.23Å; L371-V418 HydrophobicContact CD1-CG2 3.83Å; L371-V418 HydrophobicContact CG-CG2 4.16Å; L371-P422 HydrophobicContact CD1-CG 3.85Å |
| 372 | N | 86.4 | Confident | 84.1 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 22% | 0.219 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.1 | -175.9 | -54 | 3.7 | 0 | 0 | 0 | 110.2 | K286 G369 A370 V416 A417 V418 | K286-N372 VanDerWaalsContact CD-O 3.24Å; K286-N372 WeakPolarHBondContact CD-O 3.44Å; K286-N372 WeakPolarHBondContact CE-O 3.28Å; K286-N372 PolarHBondContact NZ-O 3.41Å; G369-N372 VanDerWaalsContact O-CB 3.29Å; G369-N372 WeakPolarHBondContact O-CB 3.28Å; G369-N372 PolarHBondContact O-N 3.44Å; A370-N372 PolarHBondContact O-N 2.95Å; N372-V416 CarbonylContact C-O 3.57Å; N372-V416 WeakPolarHBondContact CA-O 3.4Å; N372-A417 HydrophobicContact CB-CB 3.52Å; N372-A417 VanDerWaalsContact CG-CB 3.45Å; N372-A417 WeakPolarHBondContact OD1-CA 3.45Å; N372-V418 PolarHBondContact OD1-N 3.48Å |
| 373 | F | 81.5 | Confident | 83.5 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 175.8 | 179.6 | 63.5 | -73.9 | 0 | 0 | 0 | 110 | T29 L375 V416 | T29-F373 VanDerWaalsContact CB-CE1 3.49Å; T29-F373 VanDerWaalsContact CB-CZ 3.43Å; T29-F373 HydrophobicContact CG2-CE1 3.29Å; T29-F373 HydrophobicContact CG2-CZ 3.28Å; F373-L375 HydrophobicContact CD2-CD2 3.75Å; F373-L375 HydrophobicContact CD2-CG 4.11Å; F373-L375 HydrophobicContact CE2-CD1 4.19Å; F373-L375 HydrophobicContact CE2-CD2 3.61Å; F373-L375 HydrophobicContact CE2-CG 3.69Å; F373-V416 HydrophobicContact CD1-CG2 4.41Å; F373-V416 HydrophobicContact CD2-CG2 4.2Å; F373-V416 HydrophobicContact CE1-CB 4.15Å; F373-V416 HydrophobicContact CE1-CG2 3.69Å; F373-V416 HydrophobicContact CE2-CG2 3.49Å; F373-V416 VanDerWaalsContact CE2-CG2 3.49Å; F373-V416 HydrophobicContact CZ-CB 4.03Å; F373-V416 HydrophobicContact CZ-CG2 3.15Å; F373-V416 PolarHBondContact N-O 3.47Å; F373-V416 PolarHBondContact O-N 2.86Å; F373-V416 VanDerWaalsContact O-O 3.09Å |
| 374 | T | 85.2 | Confident | 83.1 | Confident | 49 Ų | 49 | 40.8 Ų | 40.8 | 30% | 0.301 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 140 | 175 | -52.9 | 0 | 0 | 0 | 0 | 107.5 | N379 S413 L414 M415 | T374-N379 PolarHBondContact O-ND2 3.11Å; T374-N379 PolarHBondContact O-OD1 3.34Å; T374-S413 VanDerWaalsContact CG2-OG 3.24Å; T374-S413 WeakPolarHBondContact CG2-OG 3.37Å; T374-L414 CarbonylContact C-O 3.6Å; T374-L414 VanDerWaalsContact CA-O 3.29Å; T374-L414 WeakPolarHBondContact CA-O 3.41Å; T374-M415 HydrophobicContact CG2-CB 4.42Å |
| 375 | L | 85.7 | Confident | 82.9 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.8 | 168 | -54.3 | 177 | 0 | 0 | 0 | 108.5 | L279 I282 F373 N379 A380 L383 L387 S413 L414 | L279-L375 HydrophobicContact CD2-CD1 4.12Å; L279-L375 HydrophobicContact CD2-CD2 3.68Å; L279-L375 HydrophobicContact CD2-CG 4.49Å; I282-L375 HydrophobicContact CD1-CD2 3.9Å; F373-L375 HydrophobicContact CD2-CD2 3.75Å; F373-L375 HydrophobicContact CD2-CG 4.11Å; F373-L375 HydrophobicContact CE2-CD1 4.19Å; F373-L375 HydrophobicContact CE2-CD2 3.61Å; F373-L375 HydrophobicContact CE2-CG 3.69Å; L375-N379 WeakPolarHBondContact CA-OD1 3.35Å; L375-A380 HydrophobicContact CB-CB 4.33Å; L375-A380 HydrophobicContact CD2-CB 4.21Å; L375-L383 HydrophobicContact CD1-CD1 3.94Å; L375-L387 HydrophobicContact CB-CD1 4.48Å; L375-S413 CarbonylContact O-C 3.54Å; L375-S413 WeakPolarHBondContact O-CA 3.49Å; L375-L414 HydrophobicContact CB-CB 4.34Å; L375-L414 PolarHBondContact N-O 3.43Å; L375-L414 PolarHBondContact O-N 3.39Å |
| 376 | N | 85.8 | Confident | 82.8 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | trans | -144.8 | 167.8 | 169.3 | 72.8 | -2.7 | 0 | 0 | 0 | 109.5 | T378 N379 A380 D444 | N376-T378 PolarHBondContact O-N 3.24Å; N376-T378 VanDerWaalsContact O-N 3.13Å; N376-N379 PolarHBondContact N-OD1 3.5Å; N376-N379 PolarHBondContact O-N 2.87Å; N376-N379 PolarHBondContact O-OD1 2.88Å; N376-N379 PolarHBondContact OD1-N 2.82Å; N376-N379 VanDerWaalsContact OD1-N 3.16Å; N376-N379 PolarHBondContact OD1-ND2 2.93Å; N376-A380 PolarHBondContact O-N 3.06Å; N376-D444 PolarHBondContact ND2-OD2 2.93Å | ||
| 377 | S | 84 | Confident | 82.8 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -38.5 | -175.6 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | N379 | S377-N379 PolarHBondContact O-N 3.33Š|
| 378 | T | 81.5 | Confident | 82.9 | Confident | 126 Ų | 126 | 45.5 Ų | 45.5 | 77% | 0.773 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -41.3 | 177.6 | -38 | 0 | 0 | 0 | 0 | 113.7 | N376 | N376-T378 PolarHBondContact O-N 3.24Å; N376-T378 VanDerWaalsContact O-N 3.13Å |
| 379 | N | 73.3 | Confident | 82.9 | Confident | 48 Ų | 48 | 43 Ų | 43 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -22.3 | -171 | 76.7 | 25.7 | 0 | 0 | 0 | 113.8 | I282 T374 L375 N376 S377 P381 | I282-N379 HydrophobicContact CD1-CB 3.93Å; I282-N379 WeakPolarHBondContact CD1-O 3.49Å; I282-N379 WeakPolarHBondContact CD1-OD1 3.3Å; I282-N379 HydrophobicContact CG1-CB 4.23Å; I282-N379 WeakPolarHBondContact CG1-O 2.85Å; T374-N379 PolarHBondContact O-ND2 3.11Å; T374-N379 PolarHBondContact O-OD1 3.34Å; L375-N379 WeakPolarHBondContact CA-OD1 3.35Å; N376-N379 PolarHBondContact N-OD1 3.5Å; N376-N379 PolarHBondContact O-N 2.87Å; N376-N379 PolarHBondContact O-OD1 2.88Å; N376-N379 PolarHBondContact OD1-N 2.82Å; N376-N379 VanDerWaalsContact OD1-N 3.16Å; N376-N379 PolarHBondContact OD1-ND2 2.93Å; S377-N379 PolarHBondContact O-N 3.33Å; N379-P381 VanDerWaalsContact C-CD 3.45Å; N379-P381 WeakPolarHBondContact O-CD 3.29Å |
| 380 | A | 73.7 | Confident | 83 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | trans | -122.5 | 66.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L279 I282 L375 N376 K382 L383 E384 | L279-A380 HydrophobicContact CD2-CB 3.6Å; I282-A380 HydrophobicContact CD1-CB 4.4Å; L375-A380 HydrophobicContact CB-CB 4.33Å; L375-A380 HydrophobicContact CD2-CB 4.21Å; N376-A380 PolarHBondContact O-N 3.06Å; A380-K382 PolarHBondContact O-N 2.83Å; A380-L383 HydrophobicContact CB-CB 4.48Å; A380-L383 HydrophobicContact CB-CD1 4.43Å; A380-L383 WeakPolarHBondContact O-CA 3.38Å; A380-L383 PolarHBondContact O-N 2.69Å; A380-E384 PolarHBondContact O-N 2.79Å | ||
| 381 | P | 75.2 | Confident | 83.1 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 24% | 0.24 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -58.8 | -21.4 | -174.3 | -29.8 | 39.2 | 0 | 0 | 0 | 115.9 | N379 L383 E384 | N379-P381 VanDerWaalsContact C-CD 3.45Å; N379-P381 WeakPolarHBondContact O-CD 3.29Å; P381-L383 PolarHBondContact O-N 3.06Å; P381-E384 VanDerWaalsContact O-CB 3.3Å; P381-E384 WeakPolarHBondContact O-CB 3.49Å; P381-E384 PolarHBondContact O-N 3.19Å |
| 382 | K | 72.7 | Confident | 83 | Confident | 114 Ų | 114 | 57.4 Ų | 57.4 | 50% | 0.496 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -64.9 | -17 | 170.5 | -80.3 | -171.2 | 173.3 | -165.3 | 0 | 114.1 | R277 A380 E510 | R277-K382 WeakPolarHBondContact O-CG 3.29Å; A380-K382 PolarHBondContact O-N 2.83Å; K382-E510 IonicContact NZ-OE2 3.58Å |
| 383 | L | 78.4 | Confident | 82.5 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -113.2 | 7.3 | 176.7 | -55.6 | -179.3 | 0 | 0 | 0 | 111.7 | L279 L375 A380 P381 N385 F386 L387 | L279-L383 HydrophobicContact CD1-CD1 4.11Å; L279-L383 HydrophobicContact CD1-CD2 4.33Å; L279-L383 HydrophobicContact CD1-CG 4.12Å; L279-L383 HydrophobicContact CD2-CD1 3.81Å; L279-L383 HydrophobicContact CD2-CG 4.26Å; L279-L383 HydrophobicContact CG-CD1 4.46Å; L279-L383 HydrophobicContact CG-CG 4.49Å; L375-L383 HydrophobicContact CD1-CD1 3.94Å; A380-L383 HydrophobicContact CB-CB 4.48Å; A380-L383 HydrophobicContact CB-CD1 4.43Å; A380-L383 WeakPolarHBondContact O-CA 3.38Å; A380-L383 PolarHBondContact O-N 2.69Å; P381-L383 PolarHBondContact O-N 3.06Å; L383-N385 VanDerWaalsContact C-N 3.34Å; L383-N385 PolarHBondContact O-N 2.89Å; L383-F386 HydrophobicContact CB-CB 4.45Å; L383-F386 CarbonylContact O-C 3.57Å; L383-F386 WeakPolarHBondContact O-CA 3.38Å; L383-F386 PolarHBondContact O-N 3.42Å; L383-L387 HydrophobicContact CB-CD1 3.7Å; L383-L387 HydrophobicContact CB-CG 3.95Å; L383-L387 HydrophobicContact CD1-CD1 4.4Å; L383-L387 WeakPolarHBondContact O-CB 3.28Å; L383-L387 VanDerWaalsContact O-CG 3.32Å; L383-L387 WeakPolarHBondContact O-CG 3.43Å; L383-L387 PolarHBondContact O-N 3.01Å |
| 384 | E | 83.4 | Confident | 82.4 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -46 | -175.6 | 176.5 | 157.3 | -151.9 | 0 | 0 | 112.4 | A380 P381 Q388 | A380-E384 PolarHBondContact O-N 2.79Å; P381-E384 VanDerWaalsContact O-CB 3.3Å; P381-E384 WeakPolarHBondContact O-CB 3.49Å; P381-E384 PolarHBondContact O-N 3.19Å; E384-Q388 WeakPolarHBondContact O-CG 3.45Å; E384-Q388 PolarHBondContact O-NE2 2.83Å |
| 385 | N | 85.5 | Confident | 82.5 | Confident | 127 Ų | 127 | 61.8 Ų | 61.8 | 68% | 0.679 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -31.1 | 174.2 | -60.9 | 27.5 | 0 | 0 | 0 | 112.7 | L383 C395 | L383-N385 VanDerWaalsContact C-N 3.34Å; L383-N385 PolarHBondContact O-N 2.89Å; N385-C395 WeakPolarHBondContact O-CB 3.35Å |
| 386 | F | 85.3 | Confident | 82.5 | Confident | 73 Ų | 73 | 60.9 Ų | 60.9 | 32% | 0.32 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -27.3 | -179.7 | 179 | -102.1 | 0 | 0 | 0 | 112.4 | L383 Q388 L396 L399 | L383-F386 HydrophobicContact CB-CB 4.45Å; L383-F386 CarbonylContact O-C 3.57Å; L383-F386 WeakPolarHBondContact O-CA 3.38Å; L383-F386 PolarHBondContact O-N 3.42Å; F386-Q388 VanDerWaalsContact C-N 3.29Å; F386-Q388 PolarHBondContact O-N 2.78Å; F386-L396 HydrophobicContact CZ-CB 4.49Å; F386-L396 HydrophobicContact CZ-CD1 4.47Å; F386-L396 WeakPolarHBondContact O-CB 3.48Å; F386-L396 PolarHBondContact O-N 2.94Å; F386-L399 HydrophobicContact CE2-CD1 4.26Å; F386-L399 HydrophobicContact CZ-CD1 4.31Å |
| 387 | L | 89.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 25 | -177.6 | -64.6 | 171.6 | 0 | 0 | 0 | 112.9 | L375 L383 T411 F412 L414 | L375-L387 HydrophobicContact CB-CD1 4.48Å; L383-L387 HydrophobicContact CB-CD1 3.7Å; L383-L387 HydrophobicContact CB-CG 3.95Å; L383-L387 HydrophobicContact CD1-CD1 4.4Å; L383-L387 WeakPolarHBondContact O-CB 3.28Å; L383-L387 VanDerWaalsContact O-CG 3.32Å; L383-L387 WeakPolarHBondContact O-CG 3.43Å; L383-L387 PolarHBondContact O-N 3.01Å; L387-T411 CarbonylContact O-C 3.6Å; L387-T411 WeakPolarHBondContact O-CA 3.38Å; L387-F412 HydrophobicContact CB-CB 4.46Å; L387-F412 HydrophobicContact CD2-CB 4.27Å; L387-F412 PolarHBondContact O-N 2.84Å; L387-L414 HydrophobicContact CD2-CD1 3.71Å; L387-L414 HydrophobicContact CD2-CG 3.8Å |
| 388 | Q | 90.4 | Very high | 82.5 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -96.2 | 155 | 170.3 | -53.2 | -59.8 | -34.7 | 0 | 0 | 111.2 | E384 F386 D390 C395 G397 F412 | E384-Q388 WeakPolarHBondContact O-CG 3.45Å; E384-Q388 PolarHBondContact O-NE2 2.83Å; F386-Q388 VanDerWaalsContact C-N 3.29Å; F386-Q388 PolarHBondContact O-N 2.78Å; Q388-D390 VanDerWaalsContact CB-O 3.25Å; Q388-D390 WeakPolarHBondContact CB-O 3.44Å; Q388-C395 HydrophobicContact CB-CB 4.46Å; Q388-G397 PolarHBondContact O-N 2.87Å; Q388-F412 WeakPolarHBondContact O-CE2 3.03Å |
| 389 | T | 88.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -69 | -38.3 | 159.2 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | G397 H407 D409 K410 F412 | T389-G397 WeakPolarHBondContact O-CA 3.48Å; T389-H407 WeakPolarHBondContact CG2-O 3.47Å; T389-H407 PolarHBondContact OG1-O 3.34Å; T389-D409 PolarHBondContact OG1-N 3.05Å; T389-K410 HydrophobicContact CG2-CB 4.19Å; T389-K410 PolarHBondContact N-O 2.98Å; T389-K410 PolarHBondContact OG1-N 3.41Å; T389-K410 PolarHBondContact OG1-O 3.19Å; T389-K410 VanDerWaalsContact OG1-O 3.14Å; T389-F412 HydrophobicContact CG2-CD2 4.39Å; T389-F412 HydrophobicContact CG2-CE2 3.69Å; T389-F412 HydrophobicContact CG2-CZ 3.94Å |
| 390 | D | 88.4 | Confident | 83.1 | Confident | 66 Ų | 66 | 56.8 Ų | 56.8 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | trans | -123.5 | 135.5 | -170.1 | -56.6 | -85.4 | 0 | 0 | 0 | 111.4 | Q388 P408 D409 | Q388-D390 VanDerWaalsContact CB-O 3.25Å; Q388-D390 WeakPolarHBondContact CB-O 3.44Å; D390-P408 VanDerWaalsContact OD2-CA 3.32Å; D390-P408 WeakPolarHBondContact OD2-CA 3.06Å; D390-D409 PolarHBondContact OD2-N 3.31Å | ||
| 391 | C | 87.8 | Confident | 83.6 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | trans | -164.5 | 157.2 | -177.9 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | V393 V394 C395 | C391-V393 VanDerWaalsContact C-N 3.34Å; C391-V393 PolarHBondContact O-N 2.98Å; C391-V394 VanDerWaalsContact SG-C 3.52Å; C391-C395 HydrophobicContact CB-CB 3.74Å; C391-C395 WeakPolarHBondContact CB-SG 3.41Å; C391-C395 WeakPolarHBondContact SG-CB 3.25Å; C391-C395 PolarHBondContact SG-N 2.87Å; C391-C395 CovalentContact SG-SG 2.04Å; C391-C395 PolarHBondContact SG-SG 3.26Å | ||
| 392 | E | 79.9 | Confident | 84.1 | Confident | 201 Ų | 201 | 63.8 Ų | 63.8 | 94% | 0.939 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -78.6 | -10.9 | 178.8 | -59.3 | 178.9 | 159.2 | 0 | 0 | 114.5 | ||
| 393 | V | 76.9 | Confident | 84.8 | Confident | 122 Ų | 122 | 59.1 Ų | 59.1 | 74% | 0.739 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -130.9 | -88.4 | -168.6 | -173 | 0 | 0 | 0 | 0 | 112 | C391 | C391-V393 VanDerWaalsContact C-N 3.34Å; C391-V393 PolarHBondContact O-N 2.98Å |
| 394 | V | 79.6 | Confident | 85.3 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | trans | -147.4 | 125.9 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | C391 | C391-V394 VanDerWaalsContact SG-C 3.52Š| ||
| 395 | C | 87.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -148.6 | 173.3 | 177.7 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | N385 Q388 C391 G397 T398 L399 | N385-C395 WeakPolarHBondContact O-CB 3.35Å; Q388-C395 HydrophobicContact CB-CB 4.46Å; C391-C395 HydrophobicContact CB-CB 3.74Å; C391-C395 WeakPolarHBondContact CB-SG 3.41Å; C391-C395 WeakPolarHBondContact SG-CB 3.25Å; C391-C395 PolarHBondContact SG-N 2.87Å; C391-C395 CovalentContact SG-SG 2.04Å; C391-C395 PolarHBondContact SG-SG 3.26Å; C395-G397 PolarHBondContact O-N 2.86Å; C395-T398 PolarHBondContact N-OG1 3.21Å; C395-T398 VanDerWaalsContact N-OG1 3.08Å; C395-T398 PolarHBondContact O-N 2.94Å; C395-T398 PolarHBondContact O-OG1 2.83Å; C395-L399 PolarHBondContact O-N 3.41Å | ||
| 396 | L | 84.6 | Confident | 85.8 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -62.8 | -28.5 | -174.8 | -173.7 | 56.3 | 0 | 0 | 0 | 112.7 | F386 L399 L400 F412 L414 M453 | F386-L396 HydrophobicContact CZ-CB 4.49Å; F386-L396 HydrophobicContact CZ-CD1 4.47Å; F386-L396 WeakPolarHBondContact O-CB 3.48Å; F386-L396 PolarHBondContact O-N 2.94Å; L396-L399 HydrophobicContact CD1-CB 4.48Å; L396-L399 HydrophobicContact CD1-CD1 4.33Å; L396-L399 CarbonylContact O-C 3.02Å; L396-L399 WeakPolarHBondContact O-CB 3.41Å; L396-L399 PolarHBondContact O-N 2.64Å; L396-L400 HydrophobicContact CD1-CD1 4.04Å; L396-L400 HydrophobicContact CD1-CG 4.49Å; L396-L400 HydrophobicContact CG-CD1 4.05Å; L396-L400 WeakPolarHBondContact O-CB 3.16Å; L396-L400 PolarHBondContact O-N 3.01Å; L396-L400 VanDerWaalsContact O-N 3.16Å; L396-F412 HydrophobicContact CB-CD2 3.85Å; L396-F412 HydrophobicContact CB-CE2 3.85Å; L396-F412 HydrophobicContact CB-CG 4.49Å; L396-F412 HydrophobicContact CB-CZ 4.49Å; L396-F412 HydrophobicContact CD2-CB 4.02Å; L396-F412 HydrophobicContact CD2-CD1 3.91Å; L396-F412 HydrophobicContact CD2-CD2 3.94Å; L396-F412 HydrophobicContact CD2-CE1 4.27Å; L396-F412 HydrophobicContact CD2-CE2 4.3Å; L396-F412 HydrophobicContact CD2-CG 3.72Å; L396-F412 HydrophobicContact CD2-CZ 4.46Å; L396-F412 HydrophobicContact CG-CD2 4.1Å; L396-F412 HydrophobicContact CG-CE1 4.44Å; L396-F412 HydrophobicContact CG-CE2 4.02Å; L396-F412 HydrophobicContact CG-CG 4.34Å; L396-F412 HydrophobicContact CG-CZ 4.19Å; L396-L414 HydrophobicContact CD2-CD2 3.87Å; L396-M453 HydrophobicContact CD1-CE 4.35Å |
| 397 | G | 85.3 | Confident | 86 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -67.7 | -32.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q388 T389 C395 L399 L400 P401 | Q388-G397 PolarHBondContact O-N 2.87Å; T389-G397 WeakPolarHBondContact O-CA 3.48Å; C395-G397 PolarHBondContact O-N 2.86Å; G397-L399 PolarHBondContact O-N 3.19Å; G397-L399 VanDerWaalsContact O-N 3.16Å; G397-L400 CarbonylContact O-C 3.33Å; G397-L400 WeakPolarHBondContact O-CA 2.98Å; G397-L400 PolarHBondContact O-N 3.35Å; G397-P401 VanDerWaalsContact O-N 3.15Å |
| 398 | T | 86.1 | Confident | 86.1 | Confident | 72 Ų | 72 | 59 Ų | 59 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -65.8 | -15.9 | 170.5 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | C395 | C395-T398 PolarHBondContact N-OG1 3.21Å; C395-T398 VanDerWaalsContact N-OG1 3.08Å; C395-T398 PolarHBondContact O-N 2.94Å; C395-T398 PolarHBondContact O-OG1 2.83Å |
| 399 | L | 81.7 | Confident | 86.1 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -97.8 | -6.5 | 171.9 | -53.1 | 177.7 | 0 | 0 | 0 | 112.6 | F386 C395 L396 G397 F491 V495 I499 | F386-L399 HydrophobicContact CE2-CD1 4.26Å; F386-L399 HydrophobicContact CZ-CD1 4.31Å; C395-L399 PolarHBondContact O-N 3.41Å; L396-L399 HydrophobicContact CD1-CB 4.48Å; L396-L399 HydrophobicContact CD1-CD1 4.33Å; L396-L399 CarbonylContact O-C 3.02Å; L396-L399 WeakPolarHBondContact O-CB 3.41Å; L396-L399 PolarHBondContact O-N 2.64Å; G397-L399 PolarHBondContact O-N 3.19Å; G397-L399 VanDerWaalsContact O-N 3.16Å; L399-F491 HydrophobicContact CB-CE1 4.38Å; L399-V495 HydrophobicContact CD2-CG1 4.08Å; L399-I499 HydrophobicContact CD1-CD1 4.38Å |
| 400 | L | 84.9 | Confident | 86.3 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | trans | -145.4 | 60.5 | -173.5 | -66.7 | 178.9 | 0 | 0 | 0 | 110.5 | L396 G397 E402 V403 A404 F412 V452 M453 L489 F491 | L396-L400 HydrophobicContact CD1-CD1 4.04Å; L396-L400 HydrophobicContact CD1-CG 4.49Å; L396-L400 HydrophobicContact CG-CD1 4.05Å; L396-L400 WeakPolarHBondContact O-CB 3.16Å; L396-L400 PolarHBondContact O-N 3.01Å; L396-L400 VanDerWaalsContact O-N 3.16Å; G397-L400 CarbonylContact O-C 3.33Å; G397-L400 WeakPolarHBondContact O-CA 2.98Å; G397-L400 PolarHBondContact O-N 3.35Å; L400-E402 VanDerWaalsContact C-N 3.31Å; L400-E402 PolarHBondContact O-N 3.11Å; L400-V403 HydrophobicContact CB-CB 4.16Å; L400-V403 HydrophobicContact CB-CG2 3.95Å; L400-V403 WeakPolarHBondContact O-CB 3.43Å; L400-V403 PolarHBondContact O-N 3.16Å; L400-A404 PolarHBondContact O-N 3.39Å; L400-F412 HydrophobicContact CD1-CE1 4.37Å; L400-F412 HydrophobicContact CD1-CZ 4.39Å; L400-V452 HydrophobicContact CD1-CG1 3.78Å; L400-M453 HydrophobicContact CD1-CE 4.33Å; L400-L489 HydrophobicContact CD2-CB 4.4Å; L400-L489 HydrophobicContact CD2-CD1 3.81Å; L400-L489 HydrophobicContact CD2-CD2 4.15Å; L400-L489 HydrophobicContact CD2-CG 4.36Å; L400-F491 HydrophobicContact CD2-CE1 3.98Å; L400-F491 HydrophobicContact CD2-CE2 4.09Å; L400-F491 HydrophobicContact CD2-CZ 3.55Å; L400-F491 HydrophobicContact CG-CE1 4.49Å; L400-F491 HydrophobicContact CG-CZ 4.25Å | ||
| 401 | P | 84.4 | Confident | 86.5 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 49% | 0.494 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.5 | -40.9 | -171.2 | 22.2 | -33.6 | 0 | 0 | 0 | 112.6 | G397 V403 A404 D405 | G397-P401 VanDerWaalsContact O-N 3.15Å; P401-V403 PolarHBondContact O-N 3.32Å; P401-A404 PolarHBondContact O-N 3.48Å; P401-D405 PolarHBondContact O-N 3.35Å |
| 402 | E | 85.1 | Confident | 86.7 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -53.4 | -26.1 | 175.1 | -60.1 | 171.5 | -157.5 | 0 | 0 | 113.5 | L400 A406 N490 | L400-E402 VanDerWaalsContact C-N 3.31Å; L400-E402 PolarHBondContact O-N 3.11Å; E402-A406 WeakPolarHBondContact O-CB 3.48Å; E402-N490 PolarHBondContact OE1-ND2 3.15Å |
| 403 | V | 88.2 | Confident | 87.2 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -91.1 | -33.9 | 179 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | L400 P401 H407 F412 V443 V452 | L400-V403 HydrophobicContact CB-CB 4.16Å; L400-V403 HydrophobicContact CB-CG2 3.95Å; L400-V403 WeakPolarHBondContact O-CB 3.43Å; L400-V403 PolarHBondContact O-N 3.16Å; P401-V403 PolarHBondContact O-N 3.32Å; V403-H407 WeakPolarHBondContact O-CB 3.23Å; V403-H407 PolarHBondContact O-N 3.28Å; V403-F412 HydrophobicContact CB-CZ 4.5Å; V403-F412 HydrophobicContact CG1-CE1 3.96Å; V403-F412 HydrophobicContact CG1-CZ 3.98Å; V403-V443 HydrophobicContact CG1-CG2 4.1Å; V403-V452 HydrophobicContact CG1-CG1 4.21Å; V403-V452 HydrophobicContact CG1-CG2 3.93Å; V403-V452 HydrophobicContact CG2-CG1 3.81Å |
| 404 | A | 88.2 | Confident | 87.8 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -48.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L400 P401 A406 H407 P408 | L400-A404 PolarHBondContact O-N 3.39Å; P401-A404 PolarHBondContact O-N 3.48Å; A404-A406 PolarHBondContact O-N 2.9Å; A404-H407 CarbonylContact O-C 3.35Å; A404-H407 PolarHBondContact O-N 3.26Å; A404-H407 VanDerWaalsContact O-N 3.11Å; A404-P408 WeakPolarHBondContact O-CD 3.35Å; A404-P408 VanDerWaalsContact O-N 3.1Å |
| 405 | D | 90.3 | Very high | 88.3 | Confident | 137 Ų | 137 | 46.1 Ų | 46.1 | 73% | 0.733 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -56.6 | -37.6 | 176.7 | -67.6 | -29.2 | 0 | 0 | 0 | 112.4 | P401 | P401-D405 PolarHBondContact O-N 3.35Å |
| 406 | A | 89.6 | Confident | 88.4 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 50% | 0.496 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -78.7 | -29.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E402 A404 | E402-A406 WeakPolarHBondContact O-CB 3.48Å; A404-A406 PolarHBondContact O-N 2.9Å |
| 407 | H | 90.5 | Very high | 88.7 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -138.2 | 58.4 | -170.4 | -63.1 | -32.6 | 0 | 0 | 0 | 113 | T389 V403 A404 K410 V443 | T389-H407 WeakPolarHBondContact CG2-O 3.47Å; T389-H407 PolarHBondContact OG1-O 3.34Å; V403-H407 WeakPolarHBondContact O-CB 3.23Å; V403-H407 PolarHBondContact O-N 3.28Å; A404-H407 CarbonylContact O-C 3.35Å; A404-H407 PolarHBondContact O-N 3.26Å; A404-H407 VanDerWaalsContact O-N 3.11Å; H407-K410 HydrophobicContact CB-CG 4.22Å; H407-K410 WeakPolarHBondContact O-CB 3.36Å; H407-K410 WeakPolarHBondContact O-CG 3.32Å; H407-V443 HydrophobicContact CB-CG1 4.47Å |
| 408 | P | 91.4 | Very high | 88.8 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 42% | 0.422 | 26% | 0.264 | S | S | . | . | trans | -66.1 | 151.5 | -176.6 | 27.5 | -36 | 0 | 0 | 0 | 112.6 | D390 A404 K410 | D390-P408 VanDerWaalsContact OD2-CA 3.32Å; D390-P408 WeakPolarHBondContact OD2-CA 3.06Å; A404-P408 WeakPolarHBondContact O-CD 3.35Å; A404-P408 VanDerWaalsContact O-N 3.1Å; P408-K410 PolarHBondContact O-NZ 3.06Å | ||
| 409 | D | 90.1 | Very high | 88.8 | Confident | 133 Ų | 133 | 44.8 Ų | 44.8 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 56.8 | 48.6 | -176.1 | -60.5 | -54.4 | 0 | 0 | 0 | 113.9 | T389 D390 | T389-D409 PolarHBondContact OG1-N 3.05Å; D390-D409 PolarHBondContact OD2-N 3.31Å |
| 410 | K | 92.5 | Very high | 89.2 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | trans | -131.2 | 155.1 | -178.7 | -54.6 | -67.1 | 157.1 | -71.5 | 0 | 113.1 | T389 H407 P408 V443 D445 V446 | T389-K410 HydrophobicContact CG2-CB 4.19Å; T389-K410 PolarHBondContact N-O 2.98Å; T389-K410 PolarHBondContact OG1-N 3.41Å; T389-K410 PolarHBondContact OG1-O 3.19Å; T389-K410 VanDerWaalsContact OG1-O 3.14Å; H407-K410 HydrophobicContact CB-CG 4.22Å; H407-K410 WeakPolarHBondContact O-CB 3.36Å; H407-K410 WeakPolarHBondContact O-CG 3.32Å; P408-K410 PolarHBondContact O-NZ 3.06Å; K410-V443 HydrophobicContact CB-CG1 3.49Å; K410-V443 VanDerWaalsContact CB-CG1 3.49Å; K410-V443 HydrophobicContact CG-CG1 4.02Å; K410-D445 HydrophobicContact CD-CB 3.68Å; K410-V446 HydrophobicContact CD-CG2 4.26Å; K410-V446 HydrophobicContact CG-CG2 4.48Å | ||
| 411 | T | 92.2 | Very high | 89.5 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -97.4 | 150.9 | 174.8 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | L387 D444 D445 | L387-T411 CarbonylContact O-C 3.6Å; L387-T411 WeakPolarHBondContact O-CA 3.38Å; T411-D444 PolarHBondContact O-N 2.69Å; T411-D445 VanDerWaalsContact CB-OD2 3.29Å; T411-D445 WeakPolarHBondContact CB-OD2 3.45Å; T411-D445 WeakPolarHBondContact CG2-OD2 3.42Å; T411-D445 PolarHBondContact N-OD2 3.36Å; T411-D445 PolarHBondContact OG1-OD2 2.67Å |
| 412 | F | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 140 | 173.7 | -72.3 | -84 | 0 | 0 | 0 | 112.6 | L387 Q388 T389 L396 L400 V403 Y442 V443 V452 | L387-F412 HydrophobicContact CB-CB 4.46Å; L387-F412 HydrophobicContact CD2-CB 4.27Å; L387-F412 PolarHBondContact O-N 2.84Å; Q388-F412 WeakPolarHBondContact O-CE2 3.03Å; T389-F412 HydrophobicContact CG2-CD2 4.39Å; T389-F412 HydrophobicContact CG2-CE2 3.69Å; T389-F412 HydrophobicContact CG2-CZ 3.94Å; L396-F412 HydrophobicContact CB-CD2 3.85Å; L396-F412 HydrophobicContact CB-CE2 3.85Å; L396-F412 HydrophobicContact CB-CG 4.49Å; L396-F412 HydrophobicContact CB-CZ 4.49Å; L396-F412 HydrophobicContact CD2-CB 4.02Å; L396-F412 HydrophobicContact CD2-CD1 3.91Å; L396-F412 HydrophobicContact CD2-CD2 3.94Å; L396-F412 HydrophobicContact CD2-CE1 4.27Å; L396-F412 HydrophobicContact CD2-CE2 4.3Å; L396-F412 HydrophobicContact CD2-CG 3.72Å; L396-F412 HydrophobicContact CD2-CZ 4.46Å; L396-F412 HydrophobicContact CG-CD2 4.1Å; L396-F412 HydrophobicContact CG-CE1 4.44Å; L396-F412 HydrophobicContact CG-CE2 4.02Å; L396-F412 HydrophobicContact CG-CG 4.34Å; L396-F412 HydrophobicContact CG-CZ 4.19Å; L400-F412 HydrophobicContact CD1-CE1 4.37Å; L400-F412 HydrophobicContact CD1-CZ 4.39Å; V403-F412 HydrophobicContact CB-CZ 4.5Å; V403-F412 HydrophobicContact CG1-CE1 3.96Å; V403-F412 HydrophobicContact CG1-CZ 3.98Å; F412-Y442 CarbonylContact C-O 3.6Å; F412-Y442 VanDerWaalsContact CA-O 3.28Å; F412-Y442 WeakPolarHBondContact CA-O 3.45Å; F412-V443 HydrophobicContact CE1-CG2 4.34Å; F412-V452 HydrophobicContact CE1-CG1 4.26Å; F412-V452 HydrophobicContact CE1-CG2 4.08Å |
| 413 | S | 91.3 | Very high | 90 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.6 | 161.1 | -106.5 | 0 | 0 | 0 | 0 | 111.1 | T374 L375 A441 Y442 D444 | T374-S413 VanDerWaalsContact CG2-OG 3.24Å; T374-S413 WeakPolarHBondContact CG2-OG 3.37Å; L375-S413 CarbonylContact O-C 3.54Å; L375-S413 WeakPolarHBondContact O-CA 3.49Å; S413-A441 CarbonylContact O-C 3.58Å; S413-A441 WeakPolarHBondContact O-CA 3.11Å; S413-Y442 PolarHBondContact N-O 2.72Å; S413-Y442 PolarHBondContact O-N 2.81Å; S413-D444 VanDerWaalsContact CB-CG 3.48Å; S413-D444 WeakPolarHBondContact CB-OD1 3.22Å; S413-D444 PolarHBondContact OG-OD1 2.69Å; S413-D444 PolarHBondContact OG-OD2 3.02Å |
| 414 | L | 89.9 | Confident | 90.1 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 102.6 | 170.2 | -56.8 | -177.4 | 0 | 0 | 0 | 110.2 | T374 L375 L387 L396 M439 A441 | T374-L414 CarbonylContact C-O 3.6Å; T374-L414 VanDerWaalsContact CA-O 3.29Å; T374-L414 WeakPolarHBondContact CA-O 3.41Å; L375-L414 HydrophobicContact CB-CB 4.34Å; L375-L414 PolarHBondContact N-O 3.43Å; L375-L414 PolarHBondContact O-N 3.39Å; L387-L414 HydrophobicContact CD2-CD1 3.71Å; L387-L414 HydrophobicContact CD2-CG 3.8Å; L396-L414 HydrophobicContact CD2-CD2 3.87Å; L414-M439 HydrophobicContact CB-CG 4.34Å; L414-M439 HydrophobicContact CB-SD 4.03Å; L414-M439 HydrophobicContact CD1-SD 4Å; L414-M439 HydrophobicContact CD2-CE 4.03Å; L414-M439 HydrophobicContact CD2-SD 4.08Å; L414-M439 HydrophobicContact CG-SD 4.27Å; L414-A441 HydrophobicContact CD2-CB 3.65Å |
| 415 | M | 90.6 | Very high | 90.4 | Very high | 78 Ų | 78 | 47 Ų | 47 | 38% | 0.384 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.6 | 179 | 178 | -179 | 157.9 | 0 | 0 | 111.7 | T374 A417 M439 S440 Y442 | T374-M415 HydrophobicContact CG2-CB 4.42Å; M415-A417 HydrophobicContact CE-CB 3.93Å; M415-M439 CarbonylContact O-C 3.51Å; M415-M439 VanDerWaalsContact O-CA 3.3Å; M415-M439 WeakPolarHBondContact O-CA 3.31Å; M415-S440 PolarHBondContact N-O 2.89Å; M415-S440 PolarHBondContact O-N 3.01Å; M415-Y442 HydrophobicContact CB-CE2 4.21Å |
| 416 | V | 88.8 | Confident | 90.6 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 114.3 | -176.3 | -101.4 | 0 | 0 | 0 | 0 | 109.1 | A30 N372 F373 M439 | A30-V416 VanDerWaalsContact CB-C 3.41Å; A30-V416 HydrophobicContact CB-CB 3.91Å; A30-V416 CarbonylContact O-C 3.6Å; A30-V416 WeakPolarHBondContact O-CA 3.36Å; A30-V416 WeakPolarHBondContact O-CB 3.26Å; A30-V416 WeakPolarHBondContact O-CG1 3.02Å; N372-V416 CarbonylContact C-O 3.57Å; N372-V416 WeakPolarHBondContact CA-O 3.4Å; F373-V416 HydrophobicContact CD1-CG2 4.41Å; F373-V416 HydrophobicContact CD2-CG2 4.2Å; F373-V416 HydrophobicContact CE1-CB 4.15Å; F373-V416 HydrophobicContact CE1-CG2 3.69Å; F373-V416 HydrophobicContact CE2-CG2 3.49Å; F373-V416 VanDerWaalsContact CE2-CG2 3.49Å; F373-V416 HydrophobicContact CZ-CB 4.03Å; F373-V416 HydrophobicContact CZ-CG2 3.15Å; F373-V416 PolarHBondContact N-O 3.47Å; F373-V416 PolarHBondContact O-N 2.86Å; F373-V416 VanDerWaalsContact O-O 3.09Å; V416-M439 HydrophobicContact CG1-CB 3.63Å; V416-M439 HydrophobicContact CG1-CG 3.91Å |
| 417 | A | 89.3 | Confident | 90.8 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 13% | 0.132 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 62 | -164.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | A30 A31 N372 M415 | A30-A417 PolarHBondContact O-N 2.92Å; A30-A417 VanDerWaalsContact O-N 3.12Å; A31-A417 WeakPolarHBondContact CA-O 3.25Å; A31-A417 HydrophobicContact CB-CB 3.89Å; N372-A417 HydrophobicContact CB-CB 3.52Å; N372-A417 VanDerWaalsContact CG-CB 3.45Å; N372-A417 WeakPolarHBondContact OD1-CA 3.45Å; M415-A417 HydrophobicContact CE-CB 3.93Å |
| 418 | V | 88.8 | Confident | 90.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | trans | 21.6 | 137.5 | -169.2 | 178.5 | 0 | 0 | 0 | 0 | 121.4 | A30 A31 R32 Y366 L371 N372 K420 F435 | A30-V418 HydrophobicContact CB-CB 4.43Å; A30-V418 HydrophobicContact CB-CG2 3.71Å; A31-V418 CarbonylContact C-O 3.5Å; A31-V418 VanDerWaalsContact CA-C 3.46Å; A31-V418 VanDerWaalsContact N-C 3.32Å; R32-V418 WeakPolarHBondContact CG-O 3.44Å; R32-V418 PolarHBondContact N-O 2.97Å; R32-V418 VanDerWaalsContact N-O 3.16Å; Y366-V418 HydrophobicContact CD2-CB 3.68Å; Y366-V418 HydrophobicContact CD2-CG1 3.22Å; Y366-V418 HydrophobicContact CE2-CB 4.03Å; Y366-V418 HydrophobicContact CE2-CG1 3.52Å; Y366-V418 HydrophobicContact CG-CG1 3.94Å; L371-V418 HydrophobicContact CB-CB 4.35Å; L371-V418 HydrophobicContact CB-CG2 3.23Å; L371-V418 HydrophobicContact CD1-CG2 3.83Å; L371-V418 HydrophobicContact CG-CG2 4.16Å; N372-V418 PolarHBondContact OD1-N 3.48Å; V418-K420 WeakPolarHBondContact CG1-O 3.4Å; V418-F435 HydrophobicContact CG2-CE2 4.35Å; V418-F435 HydrophobicContact CG2-CZ 3.94Å | ||
| 419 | N | 85.7 | Confident | 90.7 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -93.9 | -45 | -174.8 | -134.8 | -19 | 0 | 0 | 0 | 114 | A31 R32 Y366 T436 A437 | A31-N419 PolarHBondContact O-ND2 3.41Å; A31-N419 PolarHBondContact O-OD1 3.24Å; A31-N419 VanDerWaalsContact O-OD1 3.11Å; R32-N419 VanDerWaalsContact CG-O 3.23Å; R32-N419 WeakPolarHBondContact CG-O 3.36Å; R32-N419 PolarHBondContact NE-O 3.18Å; R32-N419 VanDerWaalsContact NE-O 3.16Å; Y366-N419 PolarHBondContact OH-O 2.94Å; N419-T436 WeakPolarHBondContact CB-O 3.22Å; N419-A437 PolarHBondContact ND2-O 2.74Å |
| 420 | K | 90.9 | Very high | 90.7 | Very high | 127 Ų | 127 | 41.2 Ų | 41.2 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -145.2 | 158.8 | 169.8 | 53.8 | 173.5 | 178.8 | 174.5 | 0 | 107 | V418 T436 | V418-K420 WeakPolarHBondContact CG1-O 3.4Å; K420-T436 WeakPolarHBondContact CE-OG1 3.29Å; K420-T436 WeakPolarHBondContact CG-OG1 3.2Å |
| 421 | A | 89.7 | Confident | 90.7 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | trans | -50.1 | 131.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | N363 Y366 | N363-A421 HydrophobicContact CB-CB 4.16Å; Y366-A421 HydrophobicContact CD1-CB 3.71Å; Y366-A421 HydrophobicContact CE1-CB 4.3Å; Y366-A421 HydrophobicContact CG-CB 4.33Å | ||
| 422 | P | 90.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | trans | -61.6 | 144.6 | 171.5 | -19.2 | 32.7 | 0 | 0 | 0 | 109.4 | L362 L371 L433 F435 | L362-P422 HydrophobicContact CD1-CB 4.36Å; L371-P422 HydrophobicContact CD1-CG 3.85Å; P422-L433 HydrophobicContact CB-CD1 4.24Å; P422-F435 HydrophobicContact CB-CD2 3.71Å; P422-F435 HydrophobicContact CB-CE2 4.14Å; P422-F435 HydrophobicContact CG-CD2 3.52Å; P422-F435 HydrophobicContact CG-CE2 3.4Å; P422-F435 VanDerWaalsContact CG-CE2 3.4Å; P422-F435 HydrophobicContact CG-CZ 4.47Å | ||
| 423 | F | 89.8 | Confident | 90.8 | Very high | 92 Ų | 92 | 40.4 Ų | 40.4 | 40% | 0.404 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.5 | 179.4 | -171.9 | -96.2 | 0 | 0 | 0 | 110.5 | N359 H425 N434 | N359-F423 HydrophobicContact CB-CD2 4.46Å; N359-F423 HydrophobicContact CB-CE2 4.35Å; N359-F423 WeakPolarHBondContact OD1-CA 3.24Å; N359-F423 WeakPolarHBondContact OD1-CD2 3.32Å; F423-H425 HydrophobicContact CE1-CB 4.11Å; F423-N434 PolarHBondContact N-O 2.79Å; F423-N434 PolarHBondContact O-N 2.81Å |
| 424 | V | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.5 | 179.8 | 172.2 | 0 | 0 | 0 | 0 | 109.4 | L25 V358 N359 L362 F426 I431 H432 L433 | L25-V424 HydrophobicContact CB-CG2 4.44Å; L25-V424 HydrophobicContact CD2-CG1 4.23Å; L25-V424 HydrophobicContact CD2-CG2 4.04Å; V358-V424 HydrophobicContact CG1-CB 3.72Å; V358-V424 HydrophobicContact CG1-CG1 3.97Å; V358-V424 HydrophobicContact CG1-CG2 3.79Å; N359-V424 PolarHBondContact ND2-O 2.98Å; N359-V424 PolarHBondContact OD1-N 3.11Å; N359-V424 PolarHBondContact OD1-O 2.77Å; L362-V424 HydrophobicContact CD1-CB 4.36Å; L362-V424 HydrophobicContact CD1-CG2 3.48Å; L362-V424 VanDerWaalsContact CD1-CG2 3.48Å; V424-F426 HydrophobicContact CG1-CD2 3.86Å; V424-F426 HydrophobicContact CG1-CE2 3.56Å; V424-I431 HydrophobicContact CG1-CG2 3.21Å; V424-H432 CarbonylContact C-O 3.53Å; V424-H432 VanDerWaalsContact CA-O 3.28Å; V424-H432 WeakPolarHBondContact CA-O 3.3Å; V424-L433 HydrophobicContact CG2-CB 4.34Å; V424-L433 HydrophobicContact CG2-CD1 3.54Å |
| 425 | H | 93.9 | Very high | 90.6 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.4 | 175 | -176.8 | 36.1 | 0 | 0 | 0 | 111.2 | E355 F423 H432 F538 | E355-H425 IonicContact OE1-ND1 2.75Å; E355-H425 WeakPolarHBondContact OE2-CA 3.47Å; E355-H425 IonicContact OE2-CE1 2.72Å; E355-H425 IonicContact OE2-CG 2.68Å; E355-H425 IonicContact OE2-ND1 3.49Å; E355-H425 PolarHBondContact OE2-ND1 2.84Å; F423-H425 HydrophobicContact CE1-CB 4.11Å; H425-H432 PolarHBondContact N-O 2.7Å; H425-H432 PolarHBondContact O-N 3.37Å; H425-F538 AromaticContact CE1-CD2 3.79Å; H425-F538 AromaticContact CE1-CE2 3.33Å; H425-F538 WeakPolarHBondContact CE1-CE2 3.21Å; H425-F538 AromaticContact NE2-CD2 3.97Å; H425-F538 AromaticContact NE2-CE2 3.38Å; H425-F538 WeakPolarHBondContact NE2-CE2 3.41Å |
| 426 | F | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.3 | 179.7 | -77.6 | -115.5 | 0 | 0 | 0 | 111.8 | E355 V358 V424 I431 V537 K539 G540 L541 | E355-F426 HydrophobicContact CB-CB 4.26Å; E355-F426 HydrophobicContact CB-CD2 3.32Å; E355-F426 HydrophobicContact CB-CE2 3.9Å; E355-F426 HydrophobicContact CB-CG 4.06Å; E355-F426 PolarHBondContact OE2-N 3.4Å; E355-F426 VanDerWaalsContact OE2-N 3.07Å; V358-F426 HydrophobicContact CB-CE2 4.16Å; V358-F426 HydrophobicContact CG2-CE2 4.02Å; V358-F426 HydrophobicContact CG2-CZ 3.86Å; V424-F426 HydrophobicContact CG1-CD2 3.86Å; V424-F426 HydrophobicContact CG1-CE2 3.56Å; F426-I431 HydrophobicContact CD1-CD1 4.24Å; F426-I431 HydrophobicContact CD1-CG1 3.8Å; F426-I431 HydrophobicContact CD2-CG2 4.19Å; F426-I431 HydrophobicContact CE1-CD1 3.57Å; F426-I431 HydrophobicContact CE1-CG1 3.65Å; F426-I431 HydrophobicContact CE1-CG2 4.39Å; F426-I431 HydrophobicContact CE2-CG2 3.95Å; F426-I431 HydrophobicContact CG-CG1 4.41Å; F426-I431 HydrophobicContact CZ-CD1 3.88Å; F426-I431 HydrophobicContact CZ-CG1 4.13Å; F426-I431 HydrophobicContact CZ-CG2 4.07Å; F426-V537 CarbonylContact C-O 3.47Å; F426-K539 PolarHBondContact O-N 3.47Å; F426-G540 WeakPolarHBondContact CD1-O 3.25Å; F426-L541 HydrophobicContact CD1-CB 4.29Å; F426-L541 HydrophobicContact CD1-CG 4.47Å; F426-L541 HydrophobicContact CE1-CB 4.26Å; F426-L541 HydrophobicContact CE1-CD2 3.91Å; F426-L541 HydrophobicContact CE1-CG 3.94Å |
| 427 | S | 93.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 164 | -179 | 75.7 | 0 | 0 | 0 | 0 | 111.3 | R429 G430 H432 H536 V537 | S427-R429 PolarHBondContact O-N 2.9Å; S427-R429 PolarHBondContact OG-N 2.93Å; S427-G430 PolarHBondContact N-O 3.06Å; S427-G430 PolarHBondContact O-N 2.8Å; S427-G430 VanDerWaalsContact O-O 3.09Å; S427-G430 PolarHBondContact OG-O 2.78Å; S427-H432 PolarHBondContact OG-CD2 2.84Å; S427-H432 PolarHBondContact OG-NE2 2.9Å; S427-H536 WeakPolarHBondContact O-CB 3.18Å; S427-V537 CarbonylContact C-O 3.53Å; S427-V537 VanDerWaalsContact C-O 3.22Å; S427-V537 VanDerWaalsContact CA-O 3.3Å; S427-V537 WeakPolarHBondContact CA-O 3.48Å; S427-V537 PolarHBondContact N-O 3.04Å |
| 428 | A | 91.3 | Very high | 91 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 70% | 0.702 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -14.9 | 171 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 429 | R | 89.4 | Confident | 91.1 | Very high | 222 Ų | 222 | 41.9 Ų | 41.9 | 84% | 0.838 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 5.8 | 175.2 | -59 | -175 | -173.8 | 175.1 | 2.7 | 113.5 | S427 | S427-R429 PolarHBondContact O-N 2.9Å; S427-R429 PolarHBondContact OG-N 2.93Å |
| 430 | G | 89 | Confident | 91.4 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108 | -168.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S427 | S427-G430 PolarHBondContact N-O 3.06Å; S427-G430 PolarHBondContact O-N 2.8Å; S427-G430 VanDerWaalsContact O-O 3.09Å; S427-G430 PolarHBondContact OG-O 2.78Å |
| 431 | I | 93.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 122.7 | -169.4 | -51.8 | 175.1 | 0 | 0 | 0 | 109.2 | L25 V424 F426 S462 V463 L465 L541 | L25-I431 HydrophobicContact CD2-CG2 3.89Å; V424-I431 HydrophobicContact CG1-CG2 3.21Å; F426-I431 HydrophobicContact CD1-CD1 4.24Å; F426-I431 HydrophobicContact CD1-CG1 3.8Å; F426-I431 HydrophobicContact CD2-CG2 4.19Å; F426-I431 HydrophobicContact CE1-CD1 3.57Å; F426-I431 HydrophobicContact CE1-CG1 3.65Å; F426-I431 HydrophobicContact CE1-CG2 4.39Å; F426-I431 HydrophobicContact CE2-CG2 3.95Å; F426-I431 HydrophobicContact CG-CG1 4.41Å; F426-I431 HydrophobicContact CZ-CD1 3.88Å; F426-I431 HydrophobicContact CZ-CG1 4.13Å; F426-I431 HydrophobicContact CZ-CG2 4.07Å; I431-S462 CarbonylContact O-C 3.51Å; I431-S462 VanDerWaalsContact O-CA 3.22Å; I431-S462 WeakPolarHBondContact O-CA 3.2Å; I431-V463 HydrophobicContact CB-CB 4.3Å; I431-V463 WeakPolarHBondContact CB-O 3.24Å; I431-V463 PolarHBondContact N-O 2.8Å; I431-V463 PolarHBondContact O-N 3.17Å; I431-L465 HydrophobicContact CD1-CD1 3.74Å; I431-L465 HydrophobicContact CD1-CG 4.12Å; I431-L541 HydrophobicContact CD1-CD2 4.23Å |
| 432 | H | 94.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 36.1 Ų | 36.1 | 26% | 0.264 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.7 | -179.7 | -55.3 | -79.8 | 0 | 0 | 0 | 110.7 | V424 H425 S427 | V424-H432 CarbonylContact C-O 3.53Å; V424-H432 VanDerWaalsContact CA-O 3.28Å; V424-H432 WeakPolarHBondContact CA-O 3.3Å; H425-H432 PolarHBondContact N-O 2.7Å; H425-H432 PolarHBondContact O-N 3.37Å; S427-H432 PolarHBondContact OG-CD2 2.84Å; S427-H432 PolarHBondContact OG-NE2 2.9Å |
| 433 | L | 92 | Very high | 91.7 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.1 | 178.6 | 172.6 | 65.4 | 0 | 0 | 0 | 109.9 | L25 P422 V424 A461 | L25-L433 WeakPolarHBondContact O-CD1 3.07Å; P422-L433 HydrophobicContact CB-CD1 4.24Å; V424-L433 HydrophobicContact CG2-CB 4.34Å; V424-L433 HydrophobicContact CG2-CD1 3.54Å; L433-A461 PolarHBondContact N-O 2.86Å; L433-A461 PolarHBondContact O-N 3.42Å |
| 434 | N | 89.4 | Confident | 91.3 | Very high | 88 Ų | 88 | 32.7 Ų | 32.7 | 47% | 0.471 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.4 | 171.5 | -76.6 | -30.4 | 0 | 0 | 0 | 110.2 | F423 | F423-N434 PolarHBondContact N-O 2.79Å; F423-N434 PolarHBondContact O-N 2.81Å |
| 435 | F | 87.5 | Confident | 90.4 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.1 | -173.2 | -170.1 | -75.1 | 0 | 0 | 0 | 112.3 | A28 T29 A30 V418 P422 A437 V458 I459 | A28-F435 HydrophobicContact CB-CB 3.61Å; A28-F435 HydrophobicContact CB-CD1 3.72Å; A28-F435 HydrophobicContact CB-CD2 3.47Å; A28-F435 VanDerWaalsContact CB-CD2 3.47Å; A28-F435 HydrophobicContact CB-CE1 4.39Å; A28-F435 HydrophobicContact CB-CE2 4.12Å; A28-F435 HydrophobicContact CB-CG 3.26Å; A28-F435 WeakPolarHBondContact O-CE2 3.44Å; A28-F435 WeakPolarHBondContact O-CZ 2.34Å; T29-F435 VanDerWaalsContact CA-CZ 3.43Å; T29-F435 WeakPolarHBondContact O-CE1 3.33Å; A30-F435 HydrophobicContact CB-CE1 4.43Å; A30-F435 HydrophobicContact CB-CZ 4Å; V418-F435 HydrophobicContact CG2-CE2 4.35Å; V418-F435 HydrophobicContact CG2-CZ 3.94Å; P422-F435 HydrophobicContact CB-CD2 3.71Å; P422-F435 HydrophobicContact CB-CE2 4.14Å; P422-F435 HydrophobicContact CG-CD2 3.52Å; P422-F435 HydrophobicContact CG-CE2 3.4Å; P422-F435 VanDerWaalsContact CG-CE2 3.4Å; P422-F435 HydrophobicContact CG-CZ 4.47Å; F435-A437 HydrophobicContact CE1-CB 4.13Å; F435-V458 WeakPolarHBondContact O-CA 3.22Å; F435-I459 HydrophobicContact CB-CB 4.28Å; F435-I459 PolarHBondContact N-O 2.9Å; F435-I459 PolarHBondContact O-N 3.12Å |
| 436 | T | 91 | Very high | 89.4 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 142.2 | 179.2 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | N419 K420 I457 V458 | N419-T436 WeakPolarHBondContact CB-O 3.22Å; K420-T436 WeakPolarHBondContact CE-OG1 3.29Å; K420-T436 WeakPolarHBondContact CG-OG1 3.2Å; T436-I457 CarbonylContact C-O 3.55Å; T436-I457 WeakPolarHBondContact CA-O 3.09Å; T436-V458 HydrophobicContact CG2-CG1 4.47Å; T436-V458 HydrophobicContact CG2-CG2 4.38Å |
| 437 | A | 91.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | trans | -136.1 | 178.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T29 A30 N419 F435 I457 | T29-A437 VanDerWaalsContact C-CB 3.48Å; T29-A437 WeakPolarHBondContact O-CB 3.24Å; A30-A437 VanDerWaalsContact C-CA 3.46Å; N419-A437 PolarHBondContact ND2-O 2.74Å; F435-A437 HydrophobicContact CE1-CB 4.13Å; A437-I457 HydrophobicContact CB-CB 3.67Å; A437-I457 HydrophobicContact CB-CG1 4.47Å; A437-I457 WeakPolarHBondContact CB-O 3.32Å; A437-I457 PolarHBondContact N-O 1.96Å | ||
| 438 | A | 92.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | trans | -148.1 | 112.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A30 A31 R454 S455 D456 | A30-A438 VanDerWaalsContact C-N 3.25Å; A30-A438 CarbonylContact O-C 3.52Å; A30-A438 PolarHBondContact O-N 2.67Å; A30-A438 VanDerWaalsContact O-N 3.08Å; A31-A438 WeakPolarHBondContact CB-O 3.42Å; A31-A438 VanDerWaalsContact N-N 3.11Å; A31-A438 WeakPolarHBondContact O-CB 3.11Å; A31-A438 PolarHBondContact O-N 2.85Å; A31-A438 VanDerWaalsContact O-N 3.11Å; A438-R454 HydrophobicContact CB-CG 4.26Å; A438-S455 CarbonylContact C-O 3.45Å; A438-S455 VanDerWaalsContact C-O 3.28Å; A438-S455 WeakPolarHBondContact CA-O 3.35Å; A438-D456 VanDerWaalsContact CB-OD1 3.22Å; A438-D456 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 439 | M | 92.1 | Very high | 87.9 | Confident | 22 Ų | 22 | 48 Ų | 48 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 146.3 | 171 | -172.5 | 175.2 | 82.7 | 0 | 0 | 110.3 | L414 M415 V416 M453 R454 S455 I457 F483 | L414-M439 HydrophobicContact CB-CG 4.34Å; L414-M439 HydrophobicContact CB-SD 4.03Å; L414-M439 HydrophobicContact CD1-SD 4Å; L414-M439 HydrophobicContact CD2-CE 4.03Å; L414-M439 HydrophobicContact CD2-SD 4.08Å; L414-M439 HydrophobicContact CG-SD 4.27Å; M415-M439 CarbonylContact O-C 3.51Å; M415-M439 VanDerWaalsContact O-CA 3.3Å; M415-M439 WeakPolarHBondContact O-CA 3.31Å; V416-M439 HydrophobicContact CG1-CB 3.63Å; V416-M439 HydrophobicContact CG1-CG 3.91Å; M439-M453 HydrophobicContact CE-CE 3.82Å; M439-R454 CarbonylContact O-C 3.17Å; M439-R454 VanDerWaalsContact O-CA 3.26Å; M439-R454 WeakPolarHBondContact O-CA 3.16Å; M439-S455 PolarHBondContact N-O 2.68Å; M439-S455 PolarHBondContact O-N 3.07Å; M439-I457 HydrophobicContact CB-CD1 3.9Å; M439-I457 HydrophobicContact CB-CG1 4.5Å; M439-I457 HydrophobicContact SD-CD1 4.32Å; M439-F483 HydrophobicContact CE-CE2 3.82Å |
| 440 | S | 92.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 134.1 | 161.7 | -80.3 | 0 | 0 | 0 | 0 | 111.1 | M415 M453 R454 | M415-S440 PolarHBondContact N-O 2.89Å; M415-S440 PolarHBondContact O-N 3.01Å; S440-M453 CarbonylContact C-O 3.41Å; S440-M453 WeakPolarHBondContact CA-O 3.21Å; S440-M453 WeakPolarHBondContact CB-O 3.18Å; S440-M453 PolarHBondContact OG-O 3.37Å; S440-R454 PolarHBondContact OG-NH1 3.32Å |
| 441 | A | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 142.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S413 L414 V452 M453 | S413-A441 CarbonylContact O-C 3.58Å; S413-A441 WeakPolarHBondContact O-CA 3.11Å; L414-A441 HydrophobicContact CD2-CB 3.65Å; A441-V452 HydrophobicContact CB-CB 4.15Å; A441-V452 PolarHBondContact O-N 2.98Å; A441-M453 HydrophobicContact CB-CE 4.05Å; A441-M453 HydrophobicContact CB-CG 3.6Å; A441-M453 PolarHBondContact N-O 3.48Å; A441-M453 PolarHBondContact O-N 2.91Å |
| 442 | Y | 92.4 | Very high | 87.7 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.7 | 177.1 | -60.8 | -91.9 | 0 | 0 | 0 | 110.2 | F412 S413 M415 V450 Y451 | F412-Y442 CarbonylContact C-O 3.6Å; F412-Y442 VanDerWaalsContact CA-O 3.28Å; F412-Y442 WeakPolarHBondContact CA-O 3.45Å; S413-Y442 PolarHBondContact N-O 2.72Å; S413-Y442 PolarHBondContact O-N 2.81Å; M415-Y442 HydrophobicContact CB-CE2 4.21Å; Y442-V450 CarbonylContact C-O 3.52Å; Y442-V450 WeakPolarHBondContact CA-O 3.48Å; Y442-Y451 AromaticContact CE1-CD2 3.84Å; Y442-Y451 HydrophobicContact CE1-CD2 3.84Å; Y442-Y451 HydrophobicContact CE1-CG 4.46Å |
| 443 | V | 92.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.7 | 161.8 | -171.9 | 0 | 0 | 0 | 0 | 108.2 | V403 H407 K410 F412 V446 V450 V452 | V403-V443 HydrophobicContact CG1-CG2 4.1Å; H407-V443 HydrophobicContact CB-CG1 4.47Å; K410-V443 HydrophobicContact CB-CG1 3.49Å; K410-V443 VanDerWaalsContact CB-CG1 3.49Å; K410-V443 HydrophobicContact CG-CG1 4.02Å; F412-V443 HydrophobicContact CE1-CG2 4.34Å; V443-V446 HydrophobicContact CB-CG2 4.48Å; V443-V446 HydrophobicContact CG1-CG2 3.83Å; V443-V450 HydrophobicContact CB-CB 4.31Å; V443-V450 HydrophobicContact CG2-CB 4.44Å; V443-V450 PolarHBondContact N-O 2.81Å; V443-V450 PolarHBondContact O-N 2.89Å; V443-V452 HydrophobicContact CG2-CG2 3.74Å |
| 444 | D | 80.7 | Confident | 87.5 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -86.2 | -33.1 | -169.6 | -107.2 | 18.3 | 0 | 0 | 0 | 113.6 | N376 T411 S413 V446 K449 | N376-D444 PolarHBondContact ND2-OD2 2.93Å; T411-D444 PolarHBondContact O-N 2.69Å; S413-D444 VanDerWaalsContact CB-CG 3.48Å; S413-D444 WeakPolarHBondContact CB-OD1 3.22Å; S413-D444 PolarHBondContact OG-OD1 2.69Å; S413-D444 PolarHBondContact OG-OD2 3.02Å; D444-V446 VanDerWaalsContact C-N 3.25Å; D444-V446 PolarHBondContact O-N 3.11Å; D444-K449 WeakPolarHBondContact OD1-CD 3.46Å; D444-K449 WeakPolarHBondContact OD1-CE 3.46Å; D444-K449 IonicContact OD1-NZ 3.36Å; D444-K449 PolarHBondContact OD1-NZ 3.12Å; D444-K449 IonicContact OD2-NZ 3.68Å; D444-K449 PolarHBondContact OD2-NZ 3.05Å; D444-K449 VanDerWaalsContact OD2-NZ 3.16Å |
| 445 | D | 74.3 | Confident | 87.5 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -91.4 | 27.3 | -173.1 | -55.4 | -62.7 | 0 | 0 | 0 | 113.3 | K410 T411 | K410-D445 HydrophobicContact CD-CB 3.68Å; T411-D445 VanDerWaalsContact CB-OD2 3.29Å; T411-D445 WeakPolarHBondContact CB-OD2 3.45Å; T411-D445 WeakPolarHBondContact CG2-OD2 3.42Å; T411-D445 PolarHBondContact N-OD2 3.36Å; T411-D445 PolarHBondContact OG1-OD2 2.67Å |
| 446 | V | 72.9 | Confident | 87.8 | Confident | 43 Ų | 43 | 43 Ų | 43 | 26% | 0.261 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -128.4 | 142.8 | 175 | -176 | 0 | 0 | 0 | 0 | 108.4 | K410 V443 D444 P448 K449 V450 | K410-V446 HydrophobicContact CD-CG2 4.26Å; K410-V446 HydrophobicContact CG-CG2 4.48Å; V443-V446 HydrophobicContact CB-CG2 4.48Å; V443-V446 HydrophobicContact CG1-CG2 3.83Å; D444-V446 VanDerWaalsContact C-N 3.25Å; D444-V446 PolarHBondContact O-N 3.11Å; V446-P448 CarbonylContact C-O 3.52Å; V446-P448 CarbonylContact O-C 3.52Å; V446-K449 WeakPolarHBondContact O-CA 2.96Å; V446-K449 PolarHBondContact O-N 3.08Å; V446-K449 VanDerWaalsContact O-N 3.16Å; V446-V450 HydrophobicContact CB-CG2 4.13Å; V446-V450 HydrophobicContact CG1-CG2 3.77Å |
| 447 | S | 78.9 | Confident | 87.8 | Confident | 123 Ų | 123 | 41.7 Ų | 41.7 | 86% | 0.86 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -122.7 | 115.9 | -178.4 | -169.8 | 0 | 0 | 0 | 0 | 111 | ||
| 448 | P | 82.1 | Confident | 87.8 | Confident | 111 Ų | 111 | 43.5 Ų | 43.5 | 72% | 0.721 | 23% | 0.231 | S | C | * | . | S | Bend | cis | -66.8 | 158.7 | -5.1 | 31.6 | -36.8 | 0 | 0 | 0 | 112.5 | V446 V450 | V446-P448 CarbonylContact C-O 3.52Å; V446-P448 CarbonylContact O-C 3.52Å; P448-V450 PolarHBondContact O-N 2.93Å |
| 449 | K | 85.1 | Confident | 87.7 | Confident | 113 Ų | 113 | 43.6 Ų | 43.6 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 125 | 176.8 | -67.9 | -170.8 | 172.3 | -167 | 0 | 110.8 | D444 V446 Y451 | D444-K449 WeakPolarHBondContact OD1-CD 3.46Å; D444-K449 WeakPolarHBondContact OD1-CE 3.46Å; D444-K449 IonicContact OD1-NZ 3.36Å; D444-K449 PolarHBondContact OD1-NZ 3.12Å; D444-K449 IonicContact OD2-NZ 3.68Å; D444-K449 PolarHBondContact OD2-NZ 3.05Å; D444-K449 VanDerWaalsContact OD2-NZ 3.16Å; V446-K449 WeakPolarHBondContact O-CA 2.96Å; V446-K449 PolarHBondContact O-N 3.08Å; V446-K449 VanDerWaalsContact O-N 3.16Å; K449-Y451 PolarHBondContact O-N 3.4Å |
| 450 | V | 89.2 | Confident | 87.8 | Confident | 45 Ų | 45 | 45.6 Ų | 45.6 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.6 | -178.8 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | Y442 V443 V446 P448 | Y442-V450 CarbonylContact C-O 3.52Å; Y442-V450 WeakPolarHBondContact CA-O 3.48Å; V443-V450 HydrophobicContact CB-CB 4.31Å; V443-V450 HydrophobicContact CG2-CB 4.44Å; V443-V450 PolarHBondContact N-O 2.81Å; V443-V450 PolarHBondContact O-N 2.89Å; V446-V450 HydrophobicContact CB-CG2 4.13Å; V446-V450 HydrophobicContact CG1-CG2 3.77Å; P448-V450 PolarHBondContact O-N 2.93Å |
| 451 | Y | 90.1 | Very high | 87.8 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 41% | 0.408 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.2 | 171 | 172.4 | -86.4 | 0 | 0 | 0 | 109.3 | Y442 K449 R454 D487 | Y442-Y451 AromaticContact CE1-CD2 3.84Å; Y442-Y451 HydrophobicContact CE1-CD2 3.84Å; Y442-Y451 HydrophobicContact CE1-CG 4.46Å; K449-Y451 PolarHBondContact O-N 3.4Å; Y451-R454 WeakPolarHBondContact OH-CB 3.31Å; Y451-R454 PolarHBondContact OH-N 3.4Å; Y451-R454 VanDerWaalsContact OH-N 3.13Å; Y451-D487 PolarHBondContact OH-OD2 2.86Å |
| 452 | V | 88.8 | Confident | 87.9 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | -53.9 | -177.4 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | L400 V403 F412 A441 V443 | L400-V452 HydrophobicContact CD1-CG1 3.78Å; V403-V452 HydrophobicContact CG1-CG1 4.21Å; V403-V452 HydrophobicContact CG1-CG2 3.93Å; V403-V452 HydrophobicContact CG2-CG1 3.81Å; F412-V452 HydrophobicContact CE1-CG1 4.26Å; F412-V452 HydrophobicContact CE1-CG2 4.08Å; A441-V452 HydrophobicContact CB-CB 4.15Å; A441-V452 PolarHBondContact O-N 2.98Å; V443-V452 HydrophobicContact CG2-CG2 3.74Å |
| 453 | M | 89.5 | Confident | 87.8 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 164.1 | -179.3 | 62.5 | 155.9 | 157.9 | 0 | 0 | 113.9 | L396 L400 M439 S440 A441 F483 D487 L489 F491 | L396-M453 HydrophobicContact CD1-CE 4.35Å; L400-M453 HydrophobicContact CD1-CE 4.33Å; M439-M453 HydrophobicContact CE-CE 3.82Å; S440-M453 CarbonylContact C-O 3.41Å; S440-M453 WeakPolarHBondContact CA-O 3.21Å; S440-M453 WeakPolarHBondContact CB-O 3.18Å; S440-M453 PolarHBondContact OG-O 3.37Å; A441-M453 HydrophobicContact CB-CE 4.05Å; A441-M453 HydrophobicContact CB-CG 3.6Å; A441-M453 PolarHBondContact N-O 3.48Å; A441-M453 PolarHBondContact O-N 2.91Å; M453-F483 HydrophobicContact CE-CE2 4.5Å; M453-F483 HydrophobicContact CE-CZ 4.27Å; M453-F483 HydrophobicContact SD-CE2 4.41Å; M453-F483 HydrophobicContact SD-CZ 4Å; M453-D487 WeakPolarHBondContact CA-OD2 3.33Å; M453-L489 HydrophobicContact CB-CD1 3.55Å; M453-L489 HydrophobicContact CG-CD1 4.35Å; M453-F491 HydrophobicContact CE-CZ 4.04Å; M453-F491 HydrophobicContact SD-CE2 3.95Å; M453-F491 HydrophobicContact SD-CZ 3.91Å |
| 454 | R | 91.7 | Very high | 87.7 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.6 | 160.6 | -177.1 | 177.3 | -153 | 85.8 | 5.3 | 110.4 | R32 A438 M439 S440 Y451 K486 D487 | R32-R454 PolarHBondContact O-NH2 3.46Å; A438-R454 HydrophobicContact CB-CG 4.26Å; M439-R454 CarbonylContact O-C 3.17Å; M439-R454 VanDerWaalsContact O-CA 3.26Å; M439-R454 WeakPolarHBondContact O-CA 3.16Å; S440-R454 PolarHBondContact OG-NH1 3.32Å; Y451-R454 WeakPolarHBondContact OH-CB 3.31Å; Y451-R454 PolarHBondContact OH-N 3.4Å; Y451-R454 VanDerWaalsContact OH-N 3.13Å; R454-K486 WeakPolarHBondContact O-CB 3Å; R454-K486 PolarHBondContact O-N 2.92Å; R454-D487 PolarHBondContact N-OD2 3Å |
| 455 | S | 90.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136 | 175.9 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | A438 M439 F483 K484 P485 | A438-S455 CarbonylContact C-O 3.45Å; A438-S455 VanDerWaalsContact C-O 3.28Å; A438-S455 WeakPolarHBondContact CA-O 3.35Å; M439-S455 PolarHBondContact N-O 2.68Å; M439-S455 PolarHBondContact O-N 3.07Å; S455-F483 WeakPolarHBondContact OG-CE2 3.49Å; S455-F483 WeakPolarHBondContact OG-CZ 3.22Å; S455-K484 CarbonylContact C-O 3.59Å; S455-K484 WeakPolarHBondContact CA-O 3.38Å; S455-K484 WeakPolarHBondContact CB-O 3.26Å; S455-P485 WeakPolarHBondContact OG-CA 3.31Å |
| 456 | D | 92.6 | Very high | 88.6 | Confident | 42 Ų | 42 | 47 Ų | 47 | 23% | 0.225 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 142.4 | 165.4 | -79.8 | 7.2 | 0 | 0 | 0 | 109.2 | A438 K484 K486 | A438-D456 VanDerWaalsContact CB-OD1 3.22Å; A438-D456 WeakPolarHBondContact CB-OD1 3.32Å; D456-K484 PolarHBondContact N-O 3.13Å; D456-K484 PolarHBondContact O-N 3.22Å; D456-K486 WeakPolarHBondContact OD1-CE 3.17Å; D456-K486 IonicContact OD1-NZ 3.74Å; D456-K486 PolarHBondContact OD1-NZ 3.47Å; D456-K486 VanDerWaalsContact OD2-CE 3.31Å; D456-K486 WeakPolarHBondContact OD2-CE 3.11Å; D456-K486 IonicContact OD2-NZ 2.83Å; D456-K486 PolarHBondContact OD2-NZ 3Å |
| 457 | I | 91.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.6 | 171.2 | -56 | 172.7 | 0 | 0 | 0 | 108 | T436 A437 M439 I459 F481 L482 F483 | T436-I457 CarbonylContact C-O 3.55Å; T436-I457 WeakPolarHBondContact CA-O 3.09Å; A437-I457 HydrophobicContact CB-CB 3.67Å; A437-I457 HydrophobicContact CB-CG1 4.47Å; A437-I457 WeakPolarHBondContact CB-O 3.32Å; A437-I457 PolarHBondContact N-O 1.96Å; M439-I457 HydrophobicContact CB-CD1 3.9Å; M439-I457 HydrophobicContact CB-CG1 4.5Å; M439-I457 HydrophobicContact SD-CD1 4.32Å; I457-I459 HydrophobicContact CG2-CD1 4.15Å; I457-I459 HydrophobicContact CG2-CG1 4.05Å; I457-F481 HydrophobicContact CD1-CZ 4.31Å; I457-F481 HydrophobicContact CG2-CD2 4.27Å; I457-F481 HydrophobicContact CG2-CE1 4.37Å; I457-F481 HydrophobicContact CG2-CE2 3.69Å; I457-F481 HydrophobicContact CG2-CZ 3.75Å; I457-L482 WeakPolarHBondContact CA-O 3.43Å; I457-F483 HydrophobicContact CG1-CD2 4.45Å |
| 458 | V | 92.2 | Very high | 89.3 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.6 | 171.1 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | F435 T436 E460 L482 | F435-V458 WeakPolarHBondContact O-CA 3.22Å; T436-V458 HydrophobicContact CG2-CG1 4.47Å; T436-V458 HydrophobicContact CG2-CG2 4.38Å; V458-E460 HydrophobicContact CG1-CG 4.33Å; V458-L482 HydrophobicContact CB-CB 4.35Å; V458-L482 PolarHBondContact N-O 2.72Å; V458-L482 PolarHBondContact O-N 3.38Å |
| 459 | I | 91.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.7 | 176.5 | -66.6 | 166.1 | 0 | 0 | 0 | 108.4 | A28 F435 I457 A461 K480 F481 I507 | A28-I459 HydrophobicContact CB-CB 4.27Å; A28-I459 HydrophobicContact CB-CD1 3.83Å; A28-I459 HydrophobicContact CB-CG2 4.28Å; F435-I459 HydrophobicContact CB-CB 4.28Å; F435-I459 PolarHBondContact N-O 2.9Å; F435-I459 PolarHBondContact O-N 3.12Å; I457-I459 HydrophobicContact CG2-CD1 4.15Å; I457-I459 HydrophobicContact CG2-CG1 4.05Å; I459-A461 HydrophobicContact CG2-CB 4.47Å; I459-K480 WeakPolarHBondContact CA-O 3.42Å; I459-F481 HydrophobicContact CD1-CD2 3.72Å; I459-F481 HydrophobicContact CD1-CE2 3.92Å; I459-F481 HydrophobicContact CG1-CD2 3.6Å; I459-F481 HydrophobicContact CG1-CE2 4.18Å; I459-F481 HydrophobicContact CG1-CG 4.35Å; I459-I507 HydrophobicContact CD1-CD1 4.14Å |
| 460 | E | 93 | Very high | 88.6 | Confident | 63 Ų | 63 | 43.5 Ų | 43.5 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.9 | 175.8 | -56.6 | 170 | -164.2 | 0 | 0 | 107.3 | V458 H479 K480 | V458-E460 HydrophobicContact CG1-CG 4.33Å; E460-H479 PolarHBondContact O-N 3.15Å; E460-K480 HydrophobicContact CB-CB 4.03Å; E460-K480 HydrophobicContact CB-CD 4.39Å; E460-K480 VanDerWaalsContact CD-NZ 3.28Å; E460-K480 HydrophobicContact CG-CB 4.44Å; E460-K480 HydrophobicContact CG-CD 3.96Å; E460-K480 PolarHBondContact N-O 2.75Å; E460-K480 PolarHBondContact O-N 2.88Å; E460-K480 VanDerWaalsContact O-N 3.17Å; E460-K480 WeakPolarHBondContact OE1-CD 3.23Å; E460-K480 IonicContact OE1-NZ 3.75Å; E460-K480 PolarHBondContact OE1-NZ 2.88Å; E460-K480 VanDerWaalsContact OE2-CD 3.23Å; E460-K480 WeakPolarHBondContact OE2-CD 3.41Å; E460-K480 IonicContact OE2-NZ 2.74Å; E460-K480 PolarHBondContact OE2-NZ 2.93Å |
| 461 | A | 92.9 | Very high | 88 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 154.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L433 I459 K477 V478 | L433-A461 PolarHBondContact N-O 2.86Å; L433-A461 PolarHBondContact O-N 3.42Å; I459-A461 HydrophobicContact CG2-CB 4.47Å; A461-K477 CarbonylContact C-O 3.48Å; A461-K477 VanDerWaalsContact CA-O 3.23Å; A461-K477 WeakPolarHBondContact CA-O 3.31Å; A461-K477 WeakPolarHBondContact CB-O 3.42Å; A461-V478 HydrophobicContact CB-CG2 4.41Å |
| 462 | S | 93.1 | Very high | 87.4 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 8% | 0.077 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.1 | 170.1 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | I431 V476 K477 H479 | I431-S462 CarbonylContact O-C 3.51Å; I431-S462 VanDerWaalsContact O-CA 3.22Å; I431-S462 WeakPolarHBondContact O-CA 3.2Å; S462-V476 CarbonylContact O-C 3.54Å; S462-V476 WeakPolarHBondContact O-CA 3.1Å; S462-K477 PolarHBondContact N-O 3.01Å; S462-K477 PolarHBondContact O-N 2.86Å; S462-H479 WeakPolarHBondContact CA-NE2 3.4Å; S462-H479 WeakPolarHBondContact CB-NE2 3.18Å; S462-H479 PolarHBondContact N-NE2 3.02Å; S462-H479 PolarHBondContact OG-CE1 3.36Å; S462-H479 PolarHBondContact OG-NE2 2.85Å |
| 463 | V | 91.3 | Very high | 87.2 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.1 | 177.7 | -166.8 | 0 | 0 | 0 | 0 | 109.3 | A24 I431 L465 T475 V476 | A24-V463 HydrophobicContact CB-CG1 4.07Å; A24-V463 HydrophobicContact CB-CG2 4.05Å; I431-V463 HydrophobicContact CB-CB 4.3Å; I431-V463 WeakPolarHBondContact CB-O 3.24Å; I431-V463 PolarHBondContact N-O 2.8Å; I431-V463 PolarHBondContact O-N 3.17Å; V463-L465 HydrophobicContact CG1-CD2 4.04Å; V463-T475 WeakPolarHBondContact CA-O 3.41Å; V463-V476 HydrophobicContact CG1-CG2 4.25Å; V463-V476 HydrophobicContact CG2-CG2 4.25Å |
| 464 | T | 90.3 | Very high | 87 | Confident | 65 Ų | 65 | 40.9 Ų | 40.9 | 40% | 0.399 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.1 | 169.7 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | G474 T475 | T464-G474 CarbonylContact O-C 3.55Å; T464-G474 VanDerWaalsContact O-CA 3.24Å; T464-G474 WeakPolarHBondContact O-CA 2.95Å; T464-T475 PolarHBondContact N-O 3.34Å; T464-T475 PolarHBondContact O-N 2.82Å |
| 465 | L | 88.5 | Confident | 87 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.6 | 178.8 | -61.2 | 179.9 | 0 | 0 | 0 | 111.1 | F21 I431 V463 L472 I534 H536 L541 | F21-L465 HydrophobicContact CD2-CD1 4.19Å; F21-L465 HydrophobicContact CE2-CD1 3.5Å; F21-L465 HydrophobicContact CZ-CD1 4.21Å; I431-L465 HydrophobicContact CD1-CD1 3.74Å; I431-L465 HydrophobicContact CD1-CG 4.12Å; V463-L465 HydrophobicContact CG1-CD2 4.04Å; L465-L472 HydrophobicContact CB-CD1 4.01Å; L465-L472 HydrophobicContact CD2-CD1 4.34Å; L465-I534 HydrophobicContact CB-CD1 4.19Å; L465-H536 PolarHBondContact N-CE1 2.84Å; L465-H536 PolarHBondContact N-NE2 2.97Å; L465-H536 PolarHBondContact O-NE2 3.45Å; L465-L541 HydrophobicContact CD1-CD2 3.84Å |
| 466 | R | 86.1 | Confident | 87 | Confident | 112 Ų | 112 | 41.5 Ų | 41.5 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 149.4 | 178.7 | 64.9 | -177.4 | 176.9 | 82.7 | 0.6 | 111.1 | H473 | R466-H473 HydrophobicContact CG-CB 3.96Å; R466-H473 PolarHBondContact N-O 3.2Å; R466-H473 PolarHBondContact O-N 2.9Å; R466-H473 VanDerWaalsContact O-O 3.07Å |
| 467 | V | 82.4 | Confident | 87 | Confident | 31 Ų | 31 | 45 Ų | 45 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.9 | 170.4 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | R471 L472 L521 G532 I534 | V467-R471 CarbonylContact C-O 3.58Å; V467-R471 WeakPolarHBondContact CA-O 3.21Å; V467-L472 HydrophobicContact CG2-CB 4.44Å; V467-L472 HydrophobicContact CG2-CD1 4.45Å; V467-L521 HydrophobicContact CG1-CD1 4Å; V467-G532 WeakPolarHBondContact CB-O 3.48Å; V467-G532 WeakPolarHBondContact CG1-O 3.4Å; V467-I534 HydrophobicContact CG2-CD1 3.87Å; V467-I534 HydrophobicContact CG2-CG1 4.01Å |
| 468 | S | 82.2 | Confident | 87.1 | Confident | 45 Ų | 45 | 45.6 Ų | 45.6 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 140.9 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | H470 R471 | S468-H470 VanDerWaalsContact C-N 3.25Å; S468-H470 PolarHBondContact O-N 2.84Å; S468-H470 VanDerWaalsContact O-N 3.12Å; S468-R471 PolarHBondContact N-O 2.93Å; S468-R471 WeakPolarHBondContact O-CA 3.4Å; S468-R471 PolarHBondContact O-N 2.97Å |
| 469 | N | 79.3 | Confident | 87.1 | Confident | 141 Ų | 141 | 49.1 Ų | 49.1 | 75% | 0.754 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.9 | 176.5 | -60.5 | -14.1 | 0 | 0 | 0 | 115 | R471 | N469-R471 VanDerWaalsContact C-N 3.26Å; N469-R471 PolarHBondContact O-N 2.91Å |
| 470 | H | 73.5 | Confident | 87.2 | Confident | 99 Ų | 99 | 52.9 Ų | 52.9 | 46% | 0.458 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 27.4 | -172.7 | -54.9 | 92.5 | 0 | 0 | 0 | 114.6 | S468 L521 M529 | S468-H470 VanDerWaalsContact C-N 3.25Å; S468-H470 PolarHBondContact O-N 2.84Å; S468-H470 VanDerWaalsContact O-N 3.12Å; H470-L521 WeakPolarHBondContact O-CB 3.48Å; H470-L521 WeakPolarHBondContact O-CG 3.15Å; H470-L521 PolarHBondContact O-N 2.87Å; H470-M529 PolarHBondContact CD2-O 2.93Å |
| 471 | R | 77.5 | Confident | 87.2 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 28% | 0.275 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135.9 | 177.1 | -44.2 | -176.4 | 74.4 | -169.7 | -2.2 | 111.1 | V467 S468 N469 H473 A517 G518 V519 | V467-R471 CarbonylContact C-O 3.58Å; V467-R471 WeakPolarHBondContact CA-O 3.21Å; S468-R471 PolarHBondContact N-O 2.93Å; S468-R471 WeakPolarHBondContact O-CA 3.4Å; S468-R471 PolarHBondContact O-N 2.97Å; N469-R471 VanDerWaalsContact C-N 3.26Å; N469-R471 PolarHBondContact O-N 2.91Å; R471-H473 PolarHBondContact O-CD2 3.18Å; R471-A517 PolarHBondContact NH1-O 2.84Å; R471-A517 PolarHBondContact NH2-O 2.96Å; R471-G518 PolarHBondContact NH2-O 3.13Å; R471-V519 CarbonylContact C-O 3.55Å; R471-V519 WeakPolarHBondContact CA-O 3.32Å |
| 472 | L | 77.3 | Confident | 87.2 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 112.4 | 168.4 | 165.7 | 59.1 | 0 | 0 | 0 | 109.1 | F21 L465 V467 V519 L521 I534 | F21-L472 HydrophobicContact CD2-CD2 4.05Å; F21-L472 HydrophobicContact CE2-CD2 4.48Å; L465-L472 HydrophobicContact CB-CD1 4.01Å; L465-L472 HydrophobicContact CD2-CD1 4.34Å; V467-L472 HydrophobicContact CG2-CB 4.44Å; V467-L472 HydrophobicContact CG2-CD1 4.45Å; L472-V519 HydrophobicContact CB-CB 4.05Å; L472-V519 HydrophobicContact CB-CG1 4.44Å; L472-V519 HydrophobicContact CG-CB 4.49Å; L472-V519 PolarHBondContact N-O 3.14Å; L472-V519 PolarHBondContact O-N 2.95Å; L472-L521 HydrophobicContact CB-CD2 4.31Å; L472-I534 HydrophobicContact CD1-CD1 3.52Å |
| 473 | H | 84.4 | Confident | 87.1 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 154.4 | 171.8 | -59.9 | -97.4 | 0 | 0 | 0 | 110 | R466 R471 E516 | R466-H473 HydrophobicContact CG-CB 3.96Å; R466-H473 PolarHBondContact N-O 3.2Å; R466-H473 PolarHBondContact O-N 2.9Å; R466-H473 VanDerWaalsContact O-O 3.07Å; R471-H473 PolarHBondContact O-CD2 3.18Å; H473-E516 PolarHBondContact CE1-O 3.38Å; H473-E516 PolarHBondContact ND1-O 2.81Å |
| 474 | G | 85.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 175.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T464 F515 | T464-G474 CarbonylContact O-C 3.55Å; T464-G474 VanDerWaalsContact O-CA 3.24Å; T464-G474 WeakPolarHBondContact O-CA 2.95Å; G474-F515 WeakPolarHBondContact O-CB 3.23Å |
| 475 | T | 90.9 | Very high | 87 | Confident | 69 Ų | 69 | 57 Ų | 57 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 124.4 | 161.6 | -52.9 | 0 | 0 | 0 | 0 | 106.7 | V463 T464 N512 | V463-T475 WeakPolarHBondContact CA-O 3.41Å; T464-T475 PolarHBondContact N-O 3.34Å; T464-T475 PolarHBondContact O-N 2.82Å; T475-N512 WeakPolarHBondContact CA-OD1 3.04Å |
| 476 | V | 91.1 | Very high | 86.8 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.4 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | A24 S462 V463 L511 N512 F515 | A24-V476 HydrophobicContact CB-CG2 3.89Å; S462-V476 CarbonylContact O-C 3.54Å; S462-V476 WeakPolarHBondContact O-CA 3.1Å; V463-V476 HydrophobicContact CG1-CG2 4.25Å; V463-V476 HydrophobicContact CG2-CG2 4.25Å; V476-L511 HydrophobicContact CB-CB 4.26Å; V476-L511 HydrophobicContact CG1-CD1 4.02Å; V476-L511 HydrophobicContact CG2-CB 4.11Å; V476-N512 PolarHBondContact N-OD1 2.83Å; V476-N512 PolarHBondContact O-ND2 2.88Å; V476-N512 PolarHBondContact O-OD1 3.4Å; V476-F515 HydrophobicContact CG2-CD2 3.68Å; V476-F515 HydrophobicContact CG2-CE2 4Å |
| 477 | K | 94.2 | Very high | 86.3 | Confident | 115 Ų | 115 | 59.4 Ų | 59.4 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.9 | 165.2 | -179.2 | 169 | 175.3 | 175.3 | 0 | 109 | A461 S462 H479 E508 | A461-K477 CarbonylContact C-O 3.48Å; A461-K477 VanDerWaalsContact CA-O 3.23Å; A461-K477 WeakPolarHBondContact CA-O 3.31Å; A461-K477 WeakPolarHBondContact CB-O 3.42Å; S462-K477 PolarHBondContact N-O 3.01Å; S462-K477 PolarHBondContact O-N 2.86Å; K477-H479 WeakPolarHBondContact CD-CE1 3.39Å; K477-E508 VanDerWaalsContact CA-OE2 3.31Å; K477-E508 WeakPolarHBondContact CA-OE2 3.23Å |
| 478 | V | 92 | Very high | 85.4 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 110.6 | 172.9 | 177 | 0 | 0 | 0 | 0 | 106.8 | A461 F481 I507 E508 | A461-V478 HydrophobicContact CB-CG2 4.41Å; V478-F481 HydrophobicContact CG1-CB 4.46Å; V478-I507 HydrophobicContact CG2-CG2 4.28Å; V478-E508 HydrophobicContact CB-CB 4.19Å; V478-E508 HydrophobicContact CG2-CB 3.8Å; V478-E508 HydrophobicContact CG2-CG 4.47Å; V478-E508 PolarHBondContact N-OE2 3.12Å |
| 479 | H | 93.3 | Very high | 84.7 | Confident | 112 Ų | 112 | 66.7 Ų | 66.7 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -24.4 | 178.1 | -57.2 | -68 | 0 | 0 | 0 | 111.6 | E460 S462 K477 | E460-H479 PolarHBondContact O-N 3.15Å; S462-H479 WeakPolarHBondContact CA-NE2 3.4Å; S462-H479 WeakPolarHBondContact CB-NE2 3.18Å; S462-H479 PolarHBondContact N-NE2 3.02Å; S462-H479 PolarHBondContact OG-CE1 3.36Å; S462-H479 PolarHBondContact OG-NE2 2.85Å; K477-H479 WeakPolarHBondContact CD-CE1 3.39Å |
| 480 | K | 92.8 | Very high | 84.1 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 36% | 0.357 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 130.2 | -175.7 | -168 | -171.5 | -163.7 | 169 | 0 | 110.3 | I459 E460 L482 | I459-K480 WeakPolarHBondContact CA-O 3.42Å; E460-K480 HydrophobicContact CB-CB 4.03Å; E460-K480 HydrophobicContact CB-CD 4.39Å; E460-K480 VanDerWaalsContact CD-NZ 3.28Å; E460-K480 HydrophobicContact CG-CB 4.44Å; E460-K480 HydrophobicContact CG-CD 3.96Å; E460-K480 PolarHBondContact N-O 2.75Å; E460-K480 PolarHBondContact O-N 2.88Å; E460-K480 VanDerWaalsContact O-N 3.17Å; E460-K480 WeakPolarHBondContact OE1-CD 3.23Å; E460-K480 IonicContact OE1-NZ 3.75Å; E460-K480 PolarHBondContact OE1-NZ 2.88Å; E460-K480 VanDerWaalsContact OE2-CD 3.23Å; E460-K480 WeakPolarHBondContact OE2-CD 3.41Å; E460-K480 IonicContact OE2-NZ 2.74Å; E460-K480 PolarHBondContact OE2-NZ 2.93Å; K480-L482 HydrophobicContact CG-CB 4.43Å |
| 481 | F | 92.3 | Very high | 84.2 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.088 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.8 | 156.7 | 178.2 | -75.9 | 0 | 0 | 0 | 106.1 | I457 I459 V478 F483 N500 T503 I507 | I457-F481 HydrophobicContact CD1-CZ 4.31Å; I457-F481 HydrophobicContact CG2-CD2 4.27Å; I457-F481 HydrophobicContact CG2-CE1 4.37Å; I457-F481 HydrophobicContact CG2-CE2 3.69Å; I457-F481 HydrophobicContact CG2-CZ 3.75Å; I459-F481 HydrophobicContact CD1-CD2 3.72Å; I459-F481 HydrophobicContact CD1-CE2 3.92Å; I459-F481 HydrophobicContact CG1-CD2 3.6Å; I459-F481 HydrophobicContact CG1-CE2 4.18Å; I459-F481 HydrophobicContact CG1-CG 4.35Å; V478-F481 HydrophobicContact CG1-CB 4.46Å; F481-F483 HydrophobicContact CE1-CB 3.94Å; F481-N500 HydrophobicContact CD1-CB 4.49Å; F481-N500 PolarHBondContact O-OD1 2.64Å; F481-T503 HydrophobicContact CD2-CG2 4.16Å; F481-T503 HydrophobicContact CE1-CG2 4Å; F481-T503 HydrophobicContact CE2-CG2 3.51Å; F481-T503 HydrophobicContact CZ-CG2 3.41Å; F481-T503 VanDerWaalsContact CZ-CG2 3.41Å; F481-I507 HydrophobicContact CD2-CD1 3.71Å; F481-I507 HydrophobicContact CE2-CD1 3.63Å |
| 482 | L | 93.3 | Very high | 84.3 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 96.8 | -175.3 | -178.6 | 56 | 0 | 0 | 0 | 110.7 | I457 V458 K480 K484 N500 | I457-L482 WeakPolarHBondContact CA-O 3.43Å; V458-L482 HydrophobicContact CB-CB 4.35Å; V458-L482 PolarHBondContact N-O 2.72Å; V458-L482 PolarHBondContact O-N 3.38Å; K480-L482 HydrophobicContact CG-CB 4.43Å; L482-K484 HydrophobicContact CD1-CG 4.37Å; L482-K484 HydrophobicContact CG-CG 4.24Å; L482-N500 WeakPolarHBondContact CA-OD1 3.48Å |
| 483 | F | 91.2 | Very high | 84.6 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 4% | 0.039 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 133.7 | 166.2 | 173.9 | -97.3 | 0 | 0 | 0 | 109.8 | M439 M453 S455 I457 F481 P485 F491 V496 I499 N500 | M439-F483 HydrophobicContact CE-CE2 3.82Å; M453-F483 HydrophobicContact CE-CE2 4.5Å; M453-F483 HydrophobicContact CE-CZ 4.27Å; M453-F483 HydrophobicContact SD-CE2 4.41Å; M453-F483 HydrophobicContact SD-CZ 4Å; S455-F483 WeakPolarHBondContact OG-CE2 3.49Å; S455-F483 WeakPolarHBondContact OG-CZ 3.22Å; I457-F483 HydrophobicContact CG1-CD2 4.45Å; F481-F483 HydrophobicContact CE1-CB 3.94Å; F483-P485 HydrophobicContact CE1-CB 4.33Å; F483-P485 HydrophobicContact CE1-CG 4.21Å; F483-F491 HydrophobicContact CE1-CE2 4.43Å; F483-F491 HydrophobicContact CE1-CZ 4.48Å; F483-F491 HydrophobicContact CZ-CE2 4.31Å; F483-F491 HydrophobicContact CZ-CZ 4.22Å; F483-V496 HydrophobicContact CD1-CG1 4.41Å; F483-I499 HydrophobicContact CB-CG2 4.03Å; F483-I499 HydrophobicContact CD1-CG2 4.12Å; F483-I499 HydrophobicContact CD2-CG2 4.48Å; F483-I499 HydrophobicContact CE1-CD1 4.25Å; F483-I499 HydrophobicContact CG-CG2 4.01Å; F483-N500 WeakPolarHBondContact CB-OD1 3.13Å; F483-N500 PolarHBondContact N-OD1 3.16Å |
| 484 | K | 90.6 | Very high | 84.6 | Confident | 118 Ų | 118 | 73.2 Ų | 73.2 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 103.1 | 175.2 | -69.8 | -167.1 | 172.3 | -164.4 | 0 | 109.7 | S455 D456 L482 | S455-K484 CarbonylContact C-O 3.59Å; S455-K484 WeakPolarHBondContact CA-O 3.38Å; S455-K484 WeakPolarHBondContact CB-O 3.26Å; D456-K484 PolarHBondContact N-O 3.13Å; D456-K484 PolarHBondContact O-N 3.22Å; L482-K484 HydrophobicContact CD1-CG 4.37Å; L482-K484 HydrophobicContact CG-CG 4.24Å |
| 485 | P | 88.1 | Confident | 84.5 | Confident | 44 Ų | 44 | 75 Ų | 75 | 29% | 0.286 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 152.7 | 171.8 | 28 | -32.8 | 0 | 0 | 0 | 110.4 | S455 F483 F491 | S455-P485 WeakPolarHBondContact OG-CA 3.31Å; F483-P485 HydrophobicContact CE1-CB 4.33Å; F483-P485 HydrophobicContact CE1-CG 4.21Å; P485-F491 HydrophobicContact CB-CD2 3.9Å; P485-F491 HydrophobicContact CB-CE2 4.08Å; P485-F491 HydrophobicContact CG-CD2 3.93Å |
| 486 | K | 84.8 | Confident | 84.3 | Confident | 117 Ų | 117 | 73 Ų | 73 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | trans | -121.6 | -20.9 | -179.1 | -72.7 | -171.3 | 161.2 | 170.9 | 0 | 114.8 | R454 D456 | R454-K486 WeakPolarHBondContact O-CB 3Å; R454-K486 PolarHBondContact O-N 2.92Å; D456-K486 WeakPolarHBondContact OD1-CE 3.17Å; D456-K486 IonicContact OD1-NZ 3.74Å; D456-K486 PolarHBondContact OD1-NZ 3.47Å; D456-K486 VanDerWaalsContact OD2-CE 3.31Å; D456-K486 WeakPolarHBondContact OD2-CE 3.11Å; D456-K486 IonicContact OD2-NZ 2.83Å; D456-K486 PolarHBondContact OD2-NZ 3Å | ||
| 487 | D | 76 | Confident | 84.1 | Confident | 61 Ų | 61 | 78.5 Ų | 78.5 | 33% | 0.326 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -98.4 | 157.9 | 176.4 | -49.1 | -49.6 | 0 | 0 | 0 | 108.3 | Y451 M453 R454 L489 | Y451-D487 PolarHBondContact OH-OD2 2.86Å; M453-D487 WeakPolarHBondContact CA-OD2 3.33Å; R454-D487 PolarHBondContact N-OD2 3Å; D487-L489 PolarHBondContact O-N 2.88Å |
| 488 | E | 62.6 | Low | 83.7 | Confident | 196 Ų | 196 | 78 Ų | 78 | 92% | 0.916 | 39% | 0.394 | S | S | * | . | trans | -77.3 | 48.8 | -168.1 | -62 | 179.7 | 160.9 | 0 | 0 | 113.8 | ||||
| 489 | L | 68.3 | Low | 83.4 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 17% | 0.173 | 40% | 0.396 | C | S | . | . | trans | -85.8 | 132.8 | 171.9 | -70.8 | 165.3 | 0 | 0 | 0 | 110.3 | L400 M453 D487 F491 | L400-L489 HydrophobicContact CD2-CB 4.4Å; L400-L489 HydrophobicContact CD2-CD1 3.81Å; L400-L489 HydrophobicContact CD2-CD2 4.15Å; L400-L489 HydrophobicContact CD2-CG 4.36Å; M453-L489 HydrophobicContact CB-CD1 3.55Å; M453-L489 HydrophobicContact CG-CD1 4.35Å; D487-L489 PolarHBondContact O-N 2.88Å; L489-F491 HydrophobicContact CB-CD2 3.95Å; L489-F491 HydrophobicContact CB-CE2 3.91Å; L489-F491 HydrophobicContact CD1-CE2 4.18Å; L489-F491 PolarHBondContact O-N 2.99Å | ||
| 490 | N | 65.4 | Low | 83.2 | Confident | 141 Ų | 141 | 74.5 Ų | 74.5 | 75% | 0.754 | 38% | 0.377 | S | S | * | . | trans | -74.4 | 49.7 | -174.1 | -67.5 | -58.8 | 0 | 0 | 0 | 114.1 | E402 S492 | E402-N490 PolarHBondContact OE1-ND2 3.15Å; N490-S492 PolarHBondContact O-N 3.21Å | ||
| 491 | F | 76.9 | Confident | 82.8 | Confident | 28 Ų | 28 | 77.8 Ų | 77.8 | 12% | 0.123 | 39% | 0.394 | C | S | . | . | trans | -63.7 | 114.9 | 165.8 | -67.8 | -73.9 | 0 | 0 | 0 | 109.5 | L399 L400 M453 F483 P485 L489 V495 V496 I499 | L399-F491 HydrophobicContact CB-CE1 4.38Å; L400-F491 HydrophobicContact CD2-CE1 3.98Å; L400-F491 HydrophobicContact CD2-CE2 4.09Å; L400-F491 HydrophobicContact CD2-CZ 3.55Å; L400-F491 HydrophobicContact CG-CE1 4.49Å; L400-F491 HydrophobicContact CG-CZ 4.25Å; M453-F491 HydrophobicContact CE-CZ 4.04Å; M453-F491 HydrophobicContact SD-CE2 3.95Å; M453-F491 HydrophobicContact SD-CZ 3.91Å; F483-F491 HydrophobicContact CE1-CE2 4.43Å; F483-F491 HydrophobicContact CE1-CZ 4.48Å; F483-F491 HydrophobicContact CZ-CE2 4.31Å; F483-F491 HydrophobicContact CZ-CZ 4.22Å; P485-F491 HydrophobicContact CB-CD2 3.9Å; P485-F491 HydrophobicContact CB-CE2 4.08Å; P485-F491 HydrophobicContact CG-CD2 3.93Å; L489-F491 HydrophobicContact CB-CD2 3.95Å; L489-F491 HydrophobicContact CB-CE2 3.91Å; L489-F491 HydrophobicContact CD1-CE2 4.18Å; L489-F491 PolarHBondContact O-N 2.99Å; F491-V495 HydrophobicContact CD1-CG1 3.92Å; F491-V496 HydrophobicContact CB-CG2 3.83Å; F491-I499 HydrophobicContact CD1-CD1 4.46Å; F491-I499 HydrophobicContact CE1-CD1 4.34Å | ||
| 492 | S | 79.4 | Confident | 82.5 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 43% | 0.434 | 42% | 0.415 | S | S | . | . | trans | -65.3 | 153.4 | 170.5 | 68.2 | 0 | 0 | 0 | 0 | 110.8 | N490 T494 V495 V496 | N490-S492 PolarHBondContact O-N 3.21Å; S492-T494 VanDerWaalsContact C-N 3.25Å; S492-T494 PolarHBondContact O-N 2.67Å; S492-V495 PolarHBondContact O-N 3.46Å; S492-V495 WeakPolarHBondContact OG-CG2 3.47Å; S492-V495 PolarHBondContact OG-N 3.12Å; S492-V496 PolarHBondContact O-N 2.83Å | ||
| 493 | E | 83.7 | Confident | 82.1 | Confident | 159 Ų | 159 | 81.1 Ų | 81.1 | 74% | 0.743 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -54.7 | -43.8 | 179.7 | -171.5 | 161 | -143.9 | 0 | 0 | 111.3 | V495 V496 E497 | E493-V495 VanDerWaalsContact C-N 3.32Å; E493-V495 PolarHBondContact O-N 3.46Å; E493-V496 CarbonylContact O-C 3.53Å; E493-V496 WeakPolarHBondContact O-CB 3.4Å; E493-V496 PolarHBondContact O-N 2.93Å; E493-E497 WeakPolarHBondContact O-CG 3.38Å; E493-E497 PolarHBondContact O-N 2.83Å |
| 494 | T | 83.5 | Confident | 81.8 | Confident | 100 Ų | 100 | 81 Ų | 81 | 61% | 0.613 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.9 | -35.9 | 174.8 | -44.3 | 0 | 0 | 0 | 0 | 113.7 | S492 L498 | S492-T494 VanDerWaalsContact C-N 3.25Å; S492-T494 PolarHBondContact O-N 2.67Å; T494-L498 VanDerWaalsContact O-CB 3.32Å; T494-L498 WeakPolarHBondContact O-CB 3.21Å; T494-L498 PolarHBondContact O-N 3.23Å |
| 495 | V | 84 | Confident | 81.7 | Confident | 38 Ų | 38 | 81 Ų | 81 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 174.9 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | L399 F491 S492 E493 L498 I499 | L399-V495 HydrophobicContact CD2-CG1 4.08Å; F491-V495 HydrophobicContact CD1-CG1 3.92Å; S492-V495 PolarHBondContact O-N 3.46Å; S492-V495 WeakPolarHBondContact OG-CG2 3.47Å; S492-V495 PolarHBondContact OG-N 3.12Å; E493-V495 VanDerWaalsContact C-N 3.32Å; E493-V495 PolarHBondContact O-N 3.46Å; V495-L498 PolarHBondContact O-N 2.95Å; V495-I499 HydrophobicContact CG1-CD1 3.82Å; V495-I499 HydrophobicContact CG1-CG1 4.45Å; V495-I499 WeakPolarHBondContact O-CB 3.26Å; V495-I499 WeakPolarHBondContact O-CD1 3.44Å; V495-I499 WeakPolarHBondContact O-CG1 3.14Å; V495-I499 PolarHBondContact O-N 2.81Å |
| 496 | V | 86.9 | Confident | 81.3 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 17% | 0.17 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | F483 F491 S492 E493 I499 N500 | F483-V496 HydrophobicContact CD1-CG1 4.41Å; F491-V496 HydrophobicContact CB-CG2 3.83Å; S492-V496 PolarHBondContact O-N 2.83Å; E493-V496 CarbonylContact O-C 3.53Å; E493-V496 WeakPolarHBondContact O-CB 3.4Å; E493-V496 PolarHBondContact O-N 2.93Å; V496-I499 PolarHBondContact O-N 3.27Å; V496-N500 WeakPolarHBondContact O-CB 3.07Å; V496-N500 PolarHBondContact O-N 2.86Å; V496-N500 PolarHBondContact O-ND2 2.64Å |
| 497 | E | 87.3 | Confident | 81.3 | Confident | 120 Ų | 120 | 77.9 Ų | 77.9 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.2 | -47.9 | 174.1 | -71.4 | -177.2 | 134.6 | 0 | 0 | 112.1 | E493 I499 N500 E501 | E493-E497 WeakPolarHBondContact O-CG 3.38Å; E493-E497 PolarHBondContact O-N 2.83Å; E497-I499 PolarHBondContact O-N 3.49Å; E497-N500 WeakPolarHBondContact O-CA 3.11Å; E497-N500 WeakPolarHBondContact O-CB 3.26Å; E497-N500 PolarHBondContact O-N 3.01Å; E497-E501 PolarHBondContact O-N 3.44Å |
| 498 | L | 84.6 | Confident | 81.8 | Confident | 105 Ų | 105 | 76.2 Ų | 76.2 | 55% | 0.55 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 177.5 | -176.1 | 66.4 | 0 | 0 | 0 | 111.9 | T494 V495 N500 V502 | T494-L498 VanDerWaalsContact O-CB 3.32Å; T494-L498 WeakPolarHBondContact O-CB 3.21Å; T494-L498 PolarHBondContact O-N 3.23Å; V495-L498 PolarHBondContact O-N 2.95Å; L498-N500 VanDerWaalsContact C-N 3.25Å; L498-N500 PolarHBondContact O-N 3.49Å; L498-V502 HydrophobicContact CD1-CG2 3.75Å; L498-V502 HydrophobicContact CG-CG2 4.23Å; L498-V502 VanDerWaalsContact O-CB 3.29Å; L498-V502 WeakPolarHBondContact O-CB 3.3Å; L498-V502 VanDerWaalsContact O-CG2 3.29Å; L498-V502 WeakPolarHBondContact O-CG2 3.32Å; L498-V502 PolarHBondContact O-N 2.95Å |
| 499 | I | 85.7 | Confident | 82.8 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 16% | 0.164 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.4 | -41.7 | 172.6 | -72.9 | 165.5 | 0 | 0 | 0 | 110.3 | L399 F483 F491 V495 V496 E497 T503 | L399-I499 HydrophobicContact CD1-CD1 4.38Å; F483-I499 HydrophobicContact CB-CG2 4.03Å; F483-I499 HydrophobicContact CD1-CG2 4.12Å; F483-I499 HydrophobicContact CD2-CG2 4.48Å; F483-I499 HydrophobicContact CE1-CD1 4.25Å; F483-I499 HydrophobicContact CG-CG2 4.01Å; F491-I499 HydrophobicContact CD1-CD1 4.46Å; F491-I499 HydrophobicContact CE1-CD1 4.34Å; V495-I499 HydrophobicContact CG1-CD1 3.82Å; V495-I499 HydrophobicContact CG1-CG1 4.45Å; V495-I499 WeakPolarHBondContact O-CB 3.26Å; V495-I499 WeakPolarHBondContact O-CD1 3.44Å; V495-I499 WeakPolarHBondContact O-CG1 3.14Å; V495-I499 PolarHBondContact O-N 2.81Å; V496-I499 PolarHBondContact O-N 3.27Å; E497-I499 PolarHBondContact O-N 3.49Å; I499-T503 WeakPolarHBondContact O-CB 3.34Å; I499-T503 PolarHBondContact O-N 2.71Å; I499-T503 PolarHBondContact O-OG1 3.27Å |
| 500 | N | 89 | Confident | 83.2 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.2 | -49.2 | -178.2 | -73.5 | -34.8 | 0 | 0 | 0 | 113 | F481 L482 F483 V496 E497 L498 G504 | F481-N500 HydrophobicContact CD1-CB 4.49Å; F481-N500 PolarHBondContact O-OD1 2.64Å; L482-N500 WeakPolarHBondContact CA-OD1 3.48Å; F483-N500 WeakPolarHBondContact CB-OD1 3.13Å; F483-N500 PolarHBondContact N-OD1 3.16Å; V496-N500 WeakPolarHBondContact O-CB 3.07Å; V496-N500 PolarHBondContact O-N 2.86Å; V496-N500 PolarHBondContact O-ND2 2.64Å; E497-N500 WeakPolarHBondContact O-CA 3.11Å; E497-N500 WeakPolarHBondContact O-CB 3.26Å; E497-N500 PolarHBondContact O-N 3.01Å; L498-N500 VanDerWaalsContact C-N 3.25Å; L498-N500 PolarHBondContact O-N 3.49Å; N500-G504 PolarHBondContact O-N 3.03Å |
| 501 | E | 85.6 | Confident | 83.8 | Confident | 150 Ų | 150 | 64.5 Ų | 64.5 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.3 | -52.4 | 179.7 | -174.1 | 176.6 | 179.7 | 0 | 0 | 111.5 | E497 T503 G504 K505 | E497-E501 PolarHBondContact O-N 3.44Å; E501-T503 PolarHBondContact O-N 3.28Å; E501-G504 PolarHBondContact O-N 3.16Å; E501-K505 WeakPolarHBondContact O-CB 3.34Å; E501-K505 PolarHBondContact O-N 2.68Å |
| 502 | V | 85.8 | Confident | 84.3 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | -175.7 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | L498 K505 A506 | L498-V502 HydrophobicContact CD1-CG2 3.75Å; L498-V502 HydrophobicContact CG-CG2 4.23Å; L498-V502 VanDerWaalsContact O-CB 3.29Å; L498-V502 WeakPolarHBondContact O-CB 3.3Å; L498-V502 VanDerWaalsContact O-CG2 3.29Å; L498-V502 WeakPolarHBondContact O-CG2 3.32Å; L498-V502 PolarHBondContact O-N 2.95Å; V502-K505 PolarHBondContact O-N 3.06Å; V502-A506 VanDerWaalsContact O-CB 3.25Å; V502-A506 WeakPolarHBondContact O-CB 3.25Å; V502-A506 PolarHBondContact O-N 2.77Å |
| 503 | T | 84.1 | Confident | 84.3 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 31% | 0.307 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.1 | -40.7 | -179.6 | -47.6 | 0 | 0 | 0 | 0 | 111.4 | F481 I499 E501 K505 A506 I507 | F481-T503 HydrophobicContact CD2-CG2 4.16Å; F481-T503 HydrophobicContact CE1-CG2 4Å; F481-T503 HydrophobicContact CE2-CG2 3.51Å; F481-T503 HydrophobicContact CZ-CG2 3.41Å; F481-T503 VanDerWaalsContact CZ-CG2 3.41Å; I499-T503 WeakPolarHBondContact O-CB 3.34Å; I499-T503 PolarHBondContact O-N 2.71Å; I499-T503 PolarHBondContact O-OG1 3.27Å; E501-T503 PolarHBondContact O-N 3.28Å; T503-K505 PolarHBondContact O-N 3.16Å; T503-A506 PolarHBondContact O-N 3.46Å; T503-I507 HydrophobicContact CG2-CD1 3.97Å; T503-I507 WeakPolarHBondContact O-CB 3.29Å; T503-I507 VanDerWaalsContact O-CG1 3.31Å; T503-I507 WeakPolarHBondContact O-CG1 3.36Å; T503-I507 PolarHBondContact O-N 3.49Å |
| 504 | G | 86.1 | Confident | 83.6 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N500 E501 I507 E508 | N500-G504 PolarHBondContact O-N 3.03Å; E501-G504 PolarHBondContact O-N 3.16Å; G504-I507 PolarHBondContact O-N 3Å; G504-E508 PolarHBondContact O-N 3.48Å |
| 505 | K | 86.8 | Confident | 83.1 | Confident | 117 Ų | 117 | 55.9 Ų | 55.9 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.7 | -35.6 | 179.8 | -167.3 | 63.8 | -178.5 | 179.2 | 0 | 113.1 | E501 V502 T503 E508 T509 | E501-K505 WeakPolarHBondContact O-CB 3.34Å; E501-K505 PolarHBondContact O-N 2.68Å; V502-K505 PolarHBondContact O-N 3.06Å; T503-K505 PolarHBondContact O-N 3.16Å; K505-E508 IonicContact NZ-OE1 3.67Å; K505-E508 PolarHBondContact NZ-OE1 3.4Å; K505-E508 PolarHBondContact O-N 3.01Å; K505-T509 WeakPolarHBondContact O-CB 3.4Å; K505-T509 PolarHBondContact O-N 3.03Å; K505-T509 PolarHBondContact O-OG1 3.5Å |
| 506 | A | 81.5 | Confident | 82.8 | Confident | 57 Ų | 57 | 60 Ų | 60 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V502 T503 T509 E510 | V502-A506 VanDerWaalsContact O-CB 3.25Å; V502-A506 WeakPolarHBondContact O-CB 3.25Å; V502-A506 PolarHBondContact O-N 2.77Å; T503-A506 PolarHBondContact O-N 3.46Å; A506-T509 PolarHBondContact O-N 3.41Å; A506-E510 PolarHBondContact O-N 3.03Å |
| 507 | I | 83.5 | Confident | 82.1 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 174.6 | -71.1 | 168.6 | 0 | 0 | 0 | 110.6 | I459 V478 F481 T503 G504 T509 E510 L511 | I459-I507 HydrophobicContact CD1-CD1 4.14Å; V478-I507 HydrophobicContact CG2-CG2 4.28Å; F481-I507 HydrophobicContact CD2-CD1 3.71Å; F481-I507 HydrophobicContact CE2-CD1 3.63Å; T503-I507 HydrophobicContact CG2-CD1 3.97Å; T503-I507 WeakPolarHBondContact O-CB 3.29Å; T503-I507 VanDerWaalsContact O-CG1 3.31Å; T503-I507 WeakPolarHBondContact O-CG1 3.36Å; T503-I507 PolarHBondContact O-N 3.49Å; G504-I507 PolarHBondContact O-N 3Å; I507-T509 VanDerWaalsContact C-N 3.3Å; I507-T509 PolarHBondContact O-N 3.47Å; I507-E510 PolarHBondContact O-N 3.35Å; I507-L511 HydrophobicContact CG2-CD1 3.69Å; I507-L511 HydrophobicContact CG2-CG 4.33Å; I507-L511 VanDerWaalsContact O-CB 3.31Å; I507-L511 WeakPolarHBondContact O-CB 3.35Å; I507-L511 VanDerWaalsContact O-CG 3.26Å; I507-L511 WeakPolarHBondContact O-CG 3.46Å; I507-L511 PolarHBondContact O-N 2.93Å |
| 508 | E | 86.3 | Confident | 81 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.1 | -44 | 176.6 | -175.8 | 178.2 | 90.3 | 0 | 0 | 112.1 | K477 V478 G504 K505 N512 | K477-E508 VanDerWaalsContact CA-OE2 3.31Å; K477-E508 WeakPolarHBondContact CA-OE2 3.23Å; V478-E508 HydrophobicContact CB-CB 4.19Å; V478-E508 HydrophobicContact CG2-CB 3.8Å; V478-E508 HydrophobicContact CG2-CG 4.47Å; V478-E508 PolarHBondContact N-OE2 3.12Å; G504-E508 PolarHBondContact O-N 3.48Å; K505-E508 IonicContact NZ-OE1 3.67Å; K505-E508 PolarHBondContact NZ-OE1 3.4Å; K505-E508 PolarHBondContact O-N 3.01Å; E508-N512 WeakPolarHBondContact CG-ND2 3.24Å; E508-N512 WeakPolarHBondContact O-CB 3.32Å; E508-N512 PolarHBondContact O-N 2.97Å; E508-N512 PolarHBondContact O-ND2 2.71Å |
| 509 | T | 84.8 | Confident | 80 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.2 | -48.1 | -176.7 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | K505 A506 I507 N512 R513 | K505-T509 WeakPolarHBondContact O-CB 3.4Å; K505-T509 PolarHBondContact O-N 3.03Å; K505-T509 PolarHBondContact O-OG1 3.5Å; A506-T509 PolarHBondContact O-N 3.41Å; I507-T509 VanDerWaalsContact C-N 3.3Å; I507-T509 PolarHBondContact O-N 3.47Å; T509-N512 PolarHBondContact O-N 2.82Å; T509-R513 WeakPolarHBondContact O-CB 3.34Å; T509-R513 PolarHBondContact O-N 2.52Å |
| 510 | E | 75.9 | Confident | 78.9 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.2 | -34 | 179.5 | -177.8 | 66.8 | -175.6 | 0 | 0 | 111.6 | S278 M280 K382 A506 I507 R513 I514 | S278-E510 VanDerWaalsContact CB-OE1 3.23Å; S278-E510 WeakPolarHBondContact CB-OE1 3.21Å; S278-E510 PolarHBondContact OG-OE1 3.41Å; M280-E510 HydrophobicContact CG-CG 4.3Å; K382-E510 IonicContact NZ-OE2 3.58Å; A506-E510 PolarHBondContact O-N 3.03Å; I507-E510 PolarHBondContact O-N 3.35Å; E510-R513 IonicContact OE1-CZ 3.01Å; E510-R513 IonicContact OE1-NE 3.55Å; E510-R513 IonicContact OE1-NH2 3.48Å; E510-R513 PolarHBondContact OE1-NH2 3.48Å; E510-R513 IonicContact OE2-CZ 3.34Å; E510-R513 IonicContact OE2-NE 3.91Å; E510-R513 PolarHBondContact OE2-NE 2.84Å; E510-R513 IonicContact OE2-NH2 2.74Å; E510-R513 PolarHBondContact OE2-NH2 2.8Å; E510-I514 HydrophobicContact CG-CD1 4.15Å; E510-I514 WeakPolarHBondContact O-CB 3.38Å; E510-I514 WeakPolarHBondContact O-CD1 3.35Å; E510-I514 WeakPolarHBondContact O-CG1 3.41Å; E510-I514 PolarHBondContact O-N 2.98Å |
| 511 | L | 79.1 | Confident | 77.7 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -49.5 | 170.7 | -71.6 | 174.7 | 0 | 0 | 0 | 111.4 | M280 V476 I507 R513 I514 F515 | M280-L511 HydrophobicContact CE-CD2 3.98Å; V476-L511 HydrophobicContact CB-CB 4.26Å; V476-L511 HydrophobicContact CG1-CD1 4.02Å; V476-L511 HydrophobicContact CG2-CB 4.11Å; I507-L511 HydrophobicContact CG2-CD1 3.69Å; I507-L511 HydrophobicContact CG2-CG 4.33Å; I507-L511 VanDerWaalsContact O-CB 3.31Å; I507-L511 WeakPolarHBondContact O-CB 3.35Å; I507-L511 VanDerWaalsContact O-CG 3.26Å; I507-L511 WeakPolarHBondContact O-CG 3.46Å; I507-L511 PolarHBondContact O-N 2.93Å; L511-R513 PolarHBondContact O-N 3.45Å; L511-I514 CarbonylContact O-C 3.58Å; L511-I514 WeakPolarHBondContact O-CA 3.42Å; L511-I514 VanDerWaalsContact O-CB 3.26Å; L511-I514 WeakPolarHBondContact O-CB 3.38Å; L511-I514 PolarHBondContact O-N 2.88Å; L511-F515 HydrophobicContact CB-CE2 4.4Å; L511-F515 HydrophobicContact CD2-CE2 4.31Å; L511-F515 WeakPolarHBondContact O-CD2 3.31Å; L511-F515 PolarHBondContact O-N 2.8Å |
| 512 | N | 86.8 | Confident | 76.3 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 178.9 | -82.5 | -48.8 | 0 | 0 | 0 | 112.6 | T475 V476 E508 T509 I514 F515 E516 | T475-N512 WeakPolarHBondContact CA-OD1 3.04Å; V476-N512 PolarHBondContact N-OD1 2.83Å; V476-N512 PolarHBondContact O-ND2 2.88Å; V476-N512 PolarHBondContact O-OD1 3.4Å; E508-N512 WeakPolarHBondContact CG-ND2 3.24Å; E508-N512 WeakPolarHBondContact O-CB 3.32Å; E508-N512 PolarHBondContact O-N 2.97Å; E508-N512 PolarHBondContact O-ND2 2.71Å; T509-N512 PolarHBondContact O-N 2.82Å; N512-I514 PolarHBondContact O-N 3.39Å; N512-I514 VanDerWaalsContact O-N 3.14Å; N512-F515 CarbonylContact O-C 3.49Å; N512-F515 PolarHBondContact O-N 2.94Å; N512-E516 WeakPolarHBondContact O-CB 3.16Å; N512-E516 WeakPolarHBondContact O-CG 3.38Å; N512-E516 PolarHBondContact O-N 3.41Å |
| 513 | R | 79.6 | Confident | 75 | Confident | 113 Ų | 113 | 41.2 Ų | 41.2 | 43% | 0.426 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.9 | -30.8 | 172.2 | -164.2 | -166.7 | 66.3 | 65.4 | 2.1 | 112.9 | T509 E510 L511 | T509-R513 WeakPolarHBondContact O-CB 3.34Å; T509-R513 PolarHBondContact O-N 2.52Å; E510-R513 IonicContact OE1-CZ 3.01Å; E510-R513 IonicContact OE1-NE 3.55Å; E510-R513 IonicContact OE1-NH2 3.48Å; E510-R513 PolarHBondContact OE1-NH2 3.48Å; E510-R513 IonicContact OE2-CZ 3.34Å; E510-R513 IonicContact OE2-NE 3.91Å; E510-R513 PolarHBondContact OE2-NE 2.84Å; E510-R513 IonicContact OE2-NH2 2.74Å; E510-R513 PolarHBondContact OE2-NH2 2.8Å; L511-R513 PolarHBondContact O-N 3.45Å |
| 514 | I | 68.9 | Low | 74.1 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -79.7 | -27.5 | 176.4 | -79.5 | 172.4 | 0 | 0 | 0 | 111.9 | L20 M280 E510 L511 N512 | L20-I514 HydrophobicContact CD2-CB 4.41Å; L20-I514 HydrophobicContact CD2-CG2 3.22Å; L20-I514 WeakPolarHBondContact CD2-O 3.32Å; M280-I514 HydrophobicContact CB-CD1 3.76Å; M280-I514 HydrophobicContact CG-CD1 3.62Å; E510-I514 HydrophobicContact CG-CD1 4.15Å; E510-I514 WeakPolarHBondContact O-CB 3.38Å; E510-I514 WeakPolarHBondContact O-CD1 3.35Å; E510-I514 WeakPolarHBondContact O-CG1 3.41Å; E510-I514 PolarHBondContact O-N 2.98Å; L511-I514 CarbonylContact O-C 3.58Å; L511-I514 WeakPolarHBondContact O-CA 3.42Å; L511-I514 VanDerWaalsContact O-CB 3.26Å; L511-I514 WeakPolarHBondContact O-CB 3.38Å; L511-I514 PolarHBondContact O-N 2.88Å; N512-I514 PolarHBondContact O-N 3.39Å; N512-I514 VanDerWaalsContact O-N 3.14Å |
| 515 | F | 73.8 | Confident | 73.4 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -91.5 | -32.9 | 176.9 | -74.9 | -64.5 | 0 | 0 | 0 | 115.7 | L20 A24 G474 V476 L511 N512 A517 G518 | L20-F515 HydrophobicContact CB-CE1 3.96Å; L20-F515 HydrophobicContact CD2-CE1 4.3Å; L20-F515 HydrophobicContact CD2-CZ 4.44Å; L20-F515 WeakPolarHBondContact O-CE1 3.47Å; L20-F515 WeakPolarHBondContact O-CZ 3.36Å; A24-F515 HydrophobicContact CB-CD2 4.07Å; A24-F515 HydrophobicContact CB-CE1 3.87Å; A24-F515 HydrophobicContact CB-CE2 3.21Å; A24-F515 HydrophobicContact CB-CZ 3.13Å; G474-F515 WeakPolarHBondContact O-CB 3.23Å; V476-F515 HydrophobicContact CG2-CD2 3.68Å; V476-F515 HydrophobicContact CG2-CE2 4Å; L511-F515 HydrophobicContact CB-CE2 4.4Å; L511-F515 HydrophobicContact CD2-CE2 4.31Å; L511-F515 WeakPolarHBondContact O-CD2 3.31Å; L511-F515 PolarHBondContact O-N 2.8Å; N512-F515 CarbonylContact O-C 3.49Å; N512-F515 PolarHBondContact O-N 2.94Å; F515-A517 PolarHBondContact O-N 2.87Å; F515-G518 PolarHBondContact O-N 2.79Å; F515-G518 VanDerWaalsContact O-N 3.12Å |
| 516 | E | 77 | Confident | 73 | Confident | 125 Ų | 125 | 45.5 Ų | 45.5 | 58% | 0.584 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -55.4 | -40.6 | 169.6 | -74.7 | 168.6 | -179.8 | 0 | 0 | 110.9 | H473 N512 G518 | H473-E516 PolarHBondContact CE1-O 3.38Å; H473-E516 PolarHBondContact ND1-O 2.81Å; N512-E516 WeakPolarHBondContact O-CB 3.16Å; N512-E516 WeakPolarHBondContact O-CG 3.38Å; N512-E516 PolarHBondContact O-N 3.41Å; E516-G518 PolarHBondContact O-N 2.61Å; E516-G518 VanDerWaalsContact O-N 3.15Å |
| 517 | A | 71.2 | Confident | 72.9 | Confident | 25 Ų | 25 | 45.2 Ų | 45.2 | 21% | 0.207 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -37.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F272 R471 F515 | F272-A517 HydrophobicContact CZ-CB 3.84Å; R471-A517 PolarHBondContact NH1-O 2.84Å; R471-A517 PolarHBondContact NH2-O 2.96Å; F515-A517 PolarHBondContact O-N 2.87Å |
| 518 | G | 64.1 | Low | 72.9 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | 75.8 | 136.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R471 F515 E516 P520 | R471-G518 PolarHBondContact NH2-O 3.13Å; F515-G518 PolarHBondContact O-N 2.79Å; F515-G518 VanDerWaalsContact O-N 3.12Å; E516-G518 PolarHBondContact O-N 2.61Å; E516-G518 VanDerWaalsContact O-N 3.15Å; G518-P520 WeakPolarHBondContact O-CD 3.32Å | ||
| 519 | V | 64.4 | Low | 72.7 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 105.2 | 168 | 169 | 0 | 0 | 0 | 0 | 109.7 | C17 L20 R471 L472 L521 | C17-V519 HydrophobicContact CB-CB 4.35Å; C17-V519 HydrophobicContact CB-CG1 3.62Å; C17-V519 HydrophobicContact CB-CG2 4.25Å; C17-V519 WeakPolarHBondContact O-CG2 3.16Å; L20-V519 HydrophobicContact CB-CG2 3.43Å; L20-V519 VanDerWaalsContact CB-CG2 3.43Å; L20-V519 HydrophobicContact CD1-CG2 3.51Å; L20-V519 HydrophobicContact CG-CG2 3.97Å; R471-V519 CarbonylContact C-O 3.55Å; R471-V519 WeakPolarHBondContact CA-O 3.32Å; L472-V519 HydrophobicContact CB-CB 4.05Å; L472-V519 HydrophobicContact CB-CG1 4.44Å; L472-V519 HydrophobicContact CG-CB 4.49Å; L472-V519 PolarHBondContact N-O 3.14Å; L472-V519 PolarHBondContact O-N 2.95Å; V519-L521 PolarHBondContact O-N 3.29Å |
| 520 | P | 62.6 | Low | 72.6 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 133.9 | 162.2 | 22.6 | -35.8 | 0 | 0 | 0 | 112 | C17 S268 G518 | C17-P520 WeakPolarHBondContact SG-CD 3.23Å; S268-P520 VanDerWaalsContact CB-CG 3.47Å; S268-P520 WeakPolarHBondContact OG-CB 3.07Å; G518-P520 WeakPolarHBondContact O-CD 3.32Å |
| 521 | L | 64.2 | Low | 72.8 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 156.2 | 178.4 | -71.4 | -179.9 | 0 | 0 | 0 | 111.7 | V467 H470 L472 V519 T523 L545 | V467-L521 HydrophobicContact CG1-CD1 4Å; H470-L521 WeakPolarHBondContact O-CB 3.48Å; H470-L521 WeakPolarHBondContact O-CG 3.15Å; H470-L521 PolarHBondContact O-N 2.87Å; L472-L521 HydrophobicContact CB-CD2 4.31Å; V519-L521 PolarHBondContact O-N 3.29Å; L521-T523 PolarHBondContact O-N 3.07Å; L521-L545 HydrophobicContact CD1-CD2 4.35Å |
| 522 | P | 55.2 | Low | 73 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 121.4 | 178.9 | 25.8 | -36 | 0 | 0 | 0 | 112.7 | L263 L265 F524 M529 | L263-P522 HydrophobicContact CD2-CB 4.18Å; L263-P522 HydrophobicContact CD2-CG 4.25Å; L265-P522 HydrophobicContact CD2-CG 4.42Å; L265-P522 HydrophobicContact CG-CB 4.47Å; L265-P522 HydrophobicContact CG-CG 4.38Å; P522-F524 HydrophobicContact CB-CE2 3.88Å; P522-F524 HydrophobicContact CB-CZ 4.13Å; P522-F524 HydrophobicContact CG-CE2 4.43Å; P522-M529 HydrophobicContact CG-SD 3.7Å |
| 523 | T | 58.9 | Low | 73 | Confident | 79 Ų | 79 | 45.8 Ų | 45.8 | 49% | 0.485 | 25% | 0.247 | S | C | . | . | trans | -112.1 | 126.5 | 169.7 | 56.8 | 0 | 0 | 0 | 0 | 109.3 | L521 | L521-T523 PolarHBondContact O-N 3.07Š| ||
| 524 | F | 66.2 | Low | 73.5 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | trans | -108.7 | 155.8 | 178.7 | -51.8 | -103.4 | 0 | 0 | 0 | 109.6 | L263 P522 L526 F527 M529 | L263-F524 HydrophobicContact CB-CE1 4.33Å; L263-F524 HydrophobicContact CB-CZ 4.32Å; L263-F524 HydrophobicContact CD2-CE1 4.34Å; L263-F524 HydrophobicContact CD2-CZ 3.62Å; L263-F524 HydrophobicContact CG-CE1 3.88Å; L263-F524 HydrophobicContact CG-CZ 3.68Å; P522-F524 HydrophobicContact CB-CE2 3.88Å; P522-F524 HydrophobicContact CB-CZ 4.13Å; P522-F524 HydrophobicContact CG-CE2 4.43Å; F524-L526 PolarHBondContact O-N 2.99Å; F524-L526 VanDerWaalsContact O-N 3.16Å; F524-F527 WeakPolarHBondContact CA-O 3.28Å; F524-F527 HydrophobicContact CB-CD1 4.1Å; F524-F527 HydrophobicContact CB-CE1 4.08Å; F524-F527 HydrophobicContact CB-CZ 4.49Å; F524-F527 WeakPolarHBondContact CB-O 3.29Å; F524-F527 HydrophobicContact CD1-CE1 4.27Å; F524-F527 HydrophobicContact CD1-CZ 4.24Å; F524-F527 HydrophobicContact CD2-CD1 4.23Å; F524-F527 AromaticContact CD2-CD2 3.86Å; F524-F527 HydrophobicContact CD2-CD2 3.86Å; F524-F527 AromaticContact CD2-CE1 3.78Å; F524-F527 HydrophobicContact CD2-CE1 3.78Å; F524-F527 AromaticContact CD2-CE2 3.37Å; F524-F527 HydrophobicContact CD2-CE2 3.37Å; F524-F527 HydrophobicContact CD2-CG 4.26Å; F524-F527 AromaticContact CD2-CZ 3.32Å; F524-F527 HydrophobicContact CD2-CZ 3.32Å; F524-F527 HydrophobicContact CE1-CZ 4.24Å; F524-F527 HydrophobicContact CE2-CD2 4.29Å; F524-F527 HydrophobicContact CE2-CE1 4.22Å; F524-F527 AromaticContact CE2-CE2 3.41Å; F524-F527 HydrophobicContact CE2-CE2 3.41Å; F524-F527 VanDerWaalsContact CE2-CE2 3.41Å; F524-F527 AromaticContact CE2-CZ 3.36Å; F524-F527 HydrophobicContact CE2-CZ 3.36Å; F524-F527 HydrophobicContact CG-CD1 4.27Å; F524-F527 AromaticContact CG-CE1 3.8Å; F524-F527 HydrophobicContact CG-CE1 3.8Å; F524-F527 HydrophobicContact CG-CE2 4.25Å; F524-F527 AromaticContact CG-CZ 3.79Å; F524-F527 HydrophobicContact CG-CZ 3.79Å; F524-F527 HydrophobicContact CZ-CE2 4.26Å; F524-F527 AromaticContact CZ-CZ 3.81Å; F524-F527 HydrophobicContact CZ-CZ 3.81Å; F524-F527 PolarHBondContact N-O 3.06Å; F524-F527 PolarHBondContact O-N 3.48Å; F524-M529 HydrophobicContact CE2-CE 4.16Å | ||
| 525 | D | 71.2 | Confident | 74.6 | Confident | 148 Ų | 148 | 43.2 Ų | 43.2 | 79% | 0.791 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -59.9 | -28.5 | 176.5 | -72.2 | -9.4 | 0 | 0 | 0 | 112.5 | N550 A553 | D525-N550 PolarHBondContact O-ND2 2.97Å; D525-A553 WeakPolarHBondContact O-CB 3.42Å |
| 526 | L | 78 | Confident | 75.5 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 31% | 0.314 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -87.2 | -31.3 | 179.1 | -65.6 | 174.4 | 0 | 0 | 0 | 113.8 | F524 F549 N550 A553 L557 | F524-L526 PolarHBondContact O-N 2.99Å; F524-L526 VanDerWaalsContact O-N 3.16Å; L526-F549 CarbonylContact O-C 3.46Å; L526-F549 WeakPolarHBondContact O-CA 3.45Å; L526-F549 WeakPolarHBondContact O-CD1 3.17Å; L526-N550 PolarHBondContact O-N 3.47Å; L526-A553 HydrophobicContact CD2-CB 4.23Å; L526-L557 HydrophobicContact CD1-CD2 3.88Å; L526-L557 HydrophobicContact CD2-CB 4.36Å; L526-L557 HydrophobicContact CD2-CD2 3.97Å |
| 527 | F | 80.2 | Confident | 76.3 | Confident | 50 Ų | 50 | 38.8 Ų | 38.8 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 150.6 | -176.8 | 67.3 | -84.4 | 0 | 0 | 0 | 113.9 | F524 M529 F547 H548 F549 | F524-F527 WeakPolarHBondContact CA-O 3.28Å; F524-F527 HydrophobicContact CB-CD1 4.1Å; F524-F527 HydrophobicContact CB-CE1 4.08Å; F524-F527 HydrophobicContact CB-CZ 4.49Å; F524-F527 WeakPolarHBondContact CB-O 3.29Å; F524-F527 HydrophobicContact CD1-CE1 4.27Å; F524-F527 HydrophobicContact CD1-CZ 4.24Å; F524-F527 HydrophobicContact CD2-CD1 4.23Å; F524-F527 AromaticContact CD2-CD2 3.86Å; F524-F527 HydrophobicContact CD2-CD2 3.86Å; F524-F527 AromaticContact CD2-CE1 3.78Å; F524-F527 HydrophobicContact CD2-CE1 3.78Å; F524-F527 AromaticContact CD2-CE2 3.37Å; F524-F527 HydrophobicContact CD2-CE2 3.37Å; F524-F527 HydrophobicContact CD2-CG 4.26Å; F524-F527 AromaticContact CD2-CZ 3.32Å; F524-F527 HydrophobicContact CD2-CZ 3.32Å; F524-F527 HydrophobicContact CE1-CZ 4.24Å; F524-F527 HydrophobicContact CE2-CD2 4.29Å; F524-F527 HydrophobicContact CE2-CE1 4.22Å; F524-F527 AromaticContact CE2-CE2 3.41Å; F524-F527 HydrophobicContact CE2-CE2 3.41Å; F524-F527 VanDerWaalsContact CE2-CE2 3.41Å; F524-F527 AromaticContact CE2-CZ 3.36Å; F524-F527 HydrophobicContact CE2-CZ 3.36Å; F524-F527 HydrophobicContact CG-CD1 4.27Å; F524-F527 AromaticContact CG-CE1 3.8Å; F524-F527 HydrophobicContact CG-CE1 3.8Å; F524-F527 HydrophobicContact CG-CE2 4.25Å; F524-F527 AromaticContact CG-CZ 3.79Å; F524-F527 HydrophobicContact CG-CZ 3.79Å; F524-F527 HydrophobicContact CZ-CE2 4.26Å; F524-F527 AromaticContact CZ-CZ 3.81Å; F524-F527 HydrophobicContact CZ-CZ 3.81Å; F524-F527 PolarHBondContact N-O 3.06Å; F524-F527 PolarHBondContact O-N 3.48Å; F527-M529 HydrophobicContact CE2-CE 3.91Å; F527-M529 HydrophobicContact CE2-CG 4.32Å; F527-F547 HydrophobicContact CD2-CB 4.2Å; F527-H548 CarbonylContact C-O 3.57Å; F527-H548 WeakPolarHBondContact CA-O 3.47Å; F527-H548 WeakPolarHBondContact CB-O 3.32Å; F527-F549 HydrophobicContact CB-CD1 3.93Å; F527-F549 HydrophobicContact CB-CE1 4.14Å; F527-F549 HydrophobicContact CB-CG 4.25Å; F527-F549 HydrophobicContact CD1-CE1 4.25Å; F527-F549 HydrophobicContact CG-CE1 4.46Å |
| 528 | S | 81.6 | Confident | 77.5 | Confident | 48 Ų | 48 | 42 Ų | 42 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 157.8 | 169.6 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | F547 H548 | S528-F547 CarbonylContact O-C 3.52Å; S528-F547 WeakPolarHBondContact O-CA 3.41Å; S528-F547 WeakPolarHBondContact O-CB 3.45Å; S528-H548 PolarHBondContact N-O 3.33Å; S528-H548 PolarHBondContact O-N 2.95Å |
| 529 | M | 82.4 | Confident | 79 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.8 | 170.9 | -67.8 | -175.4 | 169.7 | 0 | 0 | 110.5 | L349 H470 P522 F524 F527 L545 N546 | L349-M529 HydrophobicContact CD2-CE 3.8Å; H470-M529 PolarHBondContact CD2-O 2.93Å; P522-M529 HydrophobicContact CG-SD 3.7Å; F524-M529 HydrophobicContact CE2-CE 4.16Å; F527-M529 HydrophobicContact CE2-CE 3.91Å; F527-M529 HydrophobicContact CE2-CG 4.32Å; M529-L545 HydrophobicContact CB-CD2 4.42Å; M529-L545 HydrophobicContact CE-CD1 4.39Å; M529-L545 HydrophobicContact SD-CD1 3.75Å; M529-N546 CarbonylContact C-O 3.59Å; M529-N546 WeakPolarHBondContact CA-O 3.46Å |
| 530 | T | 83.6 | Confident | 80.4 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 167.8 | -171.8 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | G532 N546 | T530-G532 PolarHBondContact O-N 2.95Å; T530-G532 VanDerWaalsContact O-N 3.08Å; T530-N546 PolarHBondContact N-O 2.83Å; T530-N546 PolarHBondContact O-N 3.42Å; T530-N546 WeakPolarHBondContact OG1-CB 3.42Å |
| 531 | N | 80 | Confident | 81.8 | Confident | 99 Ų | 99 | 42.3 Ų | 42.3 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51 | 36.4 | 172.6 | -62.3 | -11.5 | 0 | 0 | 0 | 115 | K347 N546 | K347-N531 PolarHBondContact NZ-O 3.04Å; N531-N546 HydrophobicContact CB-CB 4.46Å |
| 532 | G | 82.5 | Confident | 83.2 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 136.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | V467 T530 E544 | V467-G532 WeakPolarHBondContact CB-O 3.48Å; V467-G532 WeakPolarHBondContact CG1-O 3.4Å; T530-G532 PolarHBondContact O-N 2.95Å; T530-G532 VanDerWaalsContact O-N 3.08Å; G532-E544 CarbonylContact C-O 3.6Å; G532-E544 VanDerWaalsContact CA-O 3.24Å; G532-E544 WeakPolarHBondContact CA-O 3.4Å |
| 533 | A | 88.3 | Confident | 84.8 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 24% | 0.24 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 158 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I543 E544 | A533-I543 WeakPolarHBondContact O-CA 3.42Å; A533-E544 HydrophobicContact CB-CB 4.38Å; A533-E544 HydrophobicContact CB-CG 4.37Å; A533-E544 PolarHBondContact N-O 2.79Å; A533-E544 PolarHBondContact O-N 2.72Å |
| 534 | I | 90 | Very high | 86.4 | Confident | 30 Ų | 30 | 40 Ų | 40 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 131.4 | 173.3 | -68 | -178.6 | 0 | 0 | 0 | 109.6 | L465 V467 L472 L541 W542 I543 | L465-I534 HydrophobicContact CB-CD1 4.19Å; V467-I534 HydrophobicContact CG2-CD1 3.87Å; V467-I534 HydrophobicContact CG2-CG1 4.01Å; L472-I534 HydrophobicContact CD1-CD1 3.52Å; I534-L541 HydrophobicContact CG2-CD2 4.29Å; I534-W542 CarbonylContact C-O 3.58Å; I534-W542 VanDerWaalsContact CA-O 3.29Å; I534-W542 WeakPolarHBondContact CA-O 3.41Å; I534-I543 HydrophobicContact CG1-CB 4.48Å; I534-I543 HydrophobicContact CG1-CG1 4.27Å; I534-I543 HydrophobicContact CG1-CG2 4.09Å |
| 535 | T | 92 | Very high | 87.6 | Confident | 50 Ų | 50 | 37.6 Ų | 37.6 | 31% | 0.307 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.4 | 173.4 | -46.5 | 0 | 0 | 0 | 0 | 108.8 | I341 V537 L541 W542 | I341-T535 HydrophobicContact CG2-CG2 3.79Å; T535-V537 HydrophobicContact CG2-CG1 4.12Å; T535-L541 WeakPolarHBondContact O-CA 3.44Å; T535-W542 PolarHBondContact N-O 2.9Å; T535-W542 PolarHBondContact O-N 3.45Å |
| 536 | H | 91.7 | Very high | 88.5 | Confident | 27 Ų | 27 | 32 Ų | 32 | 13% | 0.125 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 136 | 172.4 | -59.4 | -95 | 0 | 0 | 0 | 108.7 | S427 L465 | S427-H536 WeakPolarHBondContact O-CB 3.18Å; L465-H536 PolarHBondContact N-CE1 2.84Å; L465-H536 PolarHBondContact N-NE2 2.97Å; L465-H536 PolarHBondContact O-NE2 3.45Å |
| 537 | V | 94.4 | Very high | 89.1 | Confident | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 176 | -176.6 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | M338 D339 I341 F426 S427 T535 G540 | M338-V537 HydrophobicContact CG-CG2 3.7Å; M338-V537 HydrophobicContact SD-CG2 4.1Å; D339-V537 HydrophobicContact CB-CB 3.91Å; D339-V537 HydrophobicContact CB-CG2 4.23Å; I341-V537 HydrophobicContact CG2-CG1 3.67Å; F426-V537 CarbonylContact C-O 3.47Å; S427-V537 CarbonylContact C-O 3.53Å; S427-V537 VanDerWaalsContact C-O 3.22Å; S427-V537 VanDerWaalsContact CA-O 3.3Å; S427-V537 WeakPolarHBondContact CA-O 3.48Å; S427-V537 PolarHBondContact N-O 3.04Å; T535-V537 HydrophobicContact CG2-CG1 4.12Å; V537-G540 CarbonylContact C-O 3.18Å; V537-G540 VanDerWaalsContact CG2-O 3.24Å; V537-G540 WeakPolarHBondContact CG2-O 3.35Å; V537-G540 PolarHBondContact N-O 2.68Å; V537-G540 VanDerWaalsContact N-O 3.11Å |
| 538 | F | 95.7 | Very high | 89.6 | Confident | 94 Ų | 94 | 30.9 Ų | 30.9 | 41% | 0.412 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 137.6 | 171.1 | -165.9 | -123.7 | 0 | 0 | 0 | 109.9 | D339 H425 G540 | D339-F538 HydrophobicContact CB-CB 4.29Å; D339-F538 PolarHBondContact N-O 3.38Å; D339-F538 VanDerWaalsContact N-O 3.12Å; D339-F538 WeakPolarHBondContact OD2-CB 3.46Å; H425-F538 AromaticContact CE1-CD2 3.79Å; H425-F538 AromaticContact CE1-CE2 3.33Å; H425-F538 WeakPolarHBondContact CE1-CE2 3.21Å; H425-F538 AromaticContact NE2-CD2 3.97Å; H425-F538 AromaticContact NE2-CE2 3.38Å; H425-F538 WeakPolarHBondContact NE2-CE2 3.41Å; F538-G540 PolarHBondContact O-N 3.37Å; F538-G540 VanDerWaalsContact O-N 3.12Å |
| 539 | K | 95.2 | Very high | 90 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 13% | 0.13 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 11.6 | 177.8 | -59.5 | -67.3 | -177.6 | 171.8 | 0 | 116.2 | H336 T337 E355 F426 | H336-K539 HydrophobicContact CB-CD 4.04Å; H336-K539 HydrophobicContact CB-CG 4.15Å; H336-K539 PolarHBondContact CD2-NZ 2.97Å; H336-K539 VanDerWaalsContact CD2-NZ 3.28Å; T337-K539 WeakPolarHBondContact O-CB 3.29Å; E355-K539 HydrophobicContact CG-CD 4.13Å; E355-K539 PolarHBondContact N-O 3.01Å; E355-K539 WeakPolarHBondContact OE1-CD 3.1Å; E355-K539 WeakPolarHBondContact OE1-CE 3.29Å; E355-K539 IonicContact OE1-NZ 3.47Å; E355-K539 PolarHBondContact OE1-NZ 2.99Å; F426-K539 PolarHBondContact O-N 3.47Å |
| 540 | G | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | -159.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M338 I353 F426 V537 F538 | M338-G540 VanDerWaalsContact SD-CA 3.56Å; I353-G540 CarbonylContact O-C 3.28Å; I353-G540 WeakPolarHBondContact O-CA 3.37Å; F426-G540 WeakPolarHBondContact CD1-O 3.25Å; V537-G540 CarbonylContact C-O 3.18Å; V537-G540 VanDerWaalsContact CG2-O 3.24Å; V537-G540 WeakPolarHBondContact CG2-O 3.35Å; V537-G540 PolarHBondContact N-O 2.68Å; V537-G540 VanDerWaalsContact N-O 3.11Å; F538-G540 PolarHBondContact O-N 3.37Å; F538-G540 VanDerWaalsContact O-N 3.12Å |
| 541 | L | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 161.6 | 170.6 | 64.8 | 70.8 | 0 | 0 | 0 | 111.8 | G352 I353 F426 I431 L465 I534 T535 I543 | G352-L541 CarbonylContact C-O 3.49Å; G352-L541 WeakPolarHBondContact CA-O 3.33Å; I353-L541 HydrophobicContact CB-CD1 4.11Å; I353-L541 HydrophobicContact CD1-CD1 4.24Å; I353-L541 HydrophobicContact CG1-CD1 4.26Å; I353-L541 PolarHBondContact N-O 3.17Å; I353-L541 PolarHBondContact O-N 2.89Å; F426-L541 HydrophobicContact CD1-CB 4.29Å; F426-L541 HydrophobicContact CD1-CG 4.47Å; F426-L541 HydrophobicContact CE1-CB 4.26Å; F426-L541 HydrophobicContact CE1-CD2 3.91Å; F426-L541 HydrophobicContact CE1-CG 3.94Å; I431-L541 HydrophobicContact CD1-CD2 4.23Å; L465-L541 HydrophobicContact CD1-CD2 3.84Å; I534-L541 HydrophobicContact CG2-CD2 4.29Å; T535-L541 WeakPolarHBondContact O-CA 3.44Å; L541-I543 HydrophobicContact CD1-CD1 4.2Å; L541-I543 HydrophobicContact CD1-CG1 3.6Å |
| 542 | W | 92.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140 | 169.6 | -72.3 | 90.2 | 0 | 0 | 0 | 110.4 | L65 M338 D339 D340 I341 I351 I534 T535 | L65-W542 HydrophobicContact CB-CH2 4.43Å; L65-W542 HydrophobicContact CD2-CH2 3.77Å; L65-W542 HydrophobicContact CD2-CZ2 4.31Å; L65-W542 HydrophobicContact CG-CH2 4.16Å; M338-W542 HydrophobicContact CE-CD2 4Å; M338-W542 HydrophobicContact CE-CG 4.41Å; M338-W542 HydrophobicContact CE-CH2 4.29Å; M338-W542 HydrophobicContact CE-CZ2 3.5Å; M338-W542 VanDerWaalsContact CE-NE1 3.31Å; D339-W542 PolarHBondContact O-NE1 3.39Å; D340-W542 WeakPolarHBondContact OD1-CZ2 3.38Å; I341-W542 HydrophobicContact CD1-CB 3.58Å; I341-W542 HydrophobicContact CD1-CD2 4Å; I341-W542 HydrophobicContact CD1-CE3 4.41Å; I341-W542 HydrophobicContact CD1-CG 3.65Å; I341-W542 HydrophobicContact CG1-CB 4.21Å; I341-W542 HydrophobicContact CG1-CD2 3.87Å; I341-W542 HydrophobicContact CG1-CG 3.73Å; I341-W542 HydrophobicContact CG2-CB 4.39Å; I341-W542 HydrophobicContact CG2-CG 4.01Å; I351-W542 CarbonylContact O-C 3.43Å; I351-W542 WeakPolarHBondContact O-CA 3.47Å; I534-W542 CarbonylContact C-O 3.58Å; I534-W542 VanDerWaalsContact CA-O 3.29Å; I534-W542 WeakPolarHBondContact CA-O 3.41Å; T535-W542 PolarHBondContact N-O 2.9Å; T535-W542 PolarHBondContact O-N 3.45Å |
| 543 | I | 89.7 | Confident | 91.5 | Very high | 24 Ų | 24 | 34 Ų | 34 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116.4 | 169.2 | -42.7 | 179.6 | 0 | 0 | 0 | 107.2 | Y350 I351 I353 A533 I534 L541 L545 | Y350-I543 CarbonylContact C-O 3.55Å; Y350-I543 WeakPolarHBondContact CA-O 3.47Å; I351-I543 HydrophobicContact CB-CB 4.31Å; I351-I543 PolarHBondContact N-O 3.07Å; I351-I543 PolarHBondContact O-N 2.88Å; I353-I543 HydrophobicContact CD1-CD1 3.93Å; A533-I543 WeakPolarHBondContact O-CA 3.42Å; I534-I543 HydrophobicContact CG1-CB 4.48Å; I534-I543 HydrophobicContact CG1-CG1 4.27Å; I534-I543 HydrophobicContact CG1-CG2 4.09Å; L541-I543 HydrophobicContact CD1-CD1 4.2Å; L541-I543 HydrophobicContact CD1-CG1 3.6Å; I543-L545 HydrophobicContact CG2-CD1 4.05Å; I543-L545 HydrophobicContact CG2-CD2 4.15Å; I543-L545 HydrophobicContact CG2-CG 3.96Å |
| 544 | E | 91.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 33.6 Ų | 33.6 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.5 | 174.6 | -30.8 | 176.4 | -117.6 | 0 | 0 | 110.1 | I341 K347 Y350 G532 A533 | I341-E544 HydrophobicContact CD1-CG 4.22Å; K347-E544 HydrophobicContact CB-CB 4.21Å; K347-E544 HydrophobicContact CD-CB 4.42Å; K347-E544 HydrophobicContact CG-CB 3.76Å; Y350-E544 HydrophobicContact CD1-CB 4.03Å; Y350-E544 HydrophobicContact CD1-CG 3.79Å; Y350-E544 HydrophobicContact CE1-CB 3.81Å; Y350-E544 HydrophobicContact CE1-CG 3.47Å; Y350-E544 VanDerWaalsContact CE1-CG 3.47Å; Y350-E544 WeakPolarHBondContact CE1-OE2 3.36Å; Y350-E544 VanDerWaalsContact CZ-OE2 3.28Å; Y350-E544 PolarHBondContact OH-OE2 3.22Å; G532-E544 CarbonylContact C-O 3.6Å; G532-E544 VanDerWaalsContact CA-O 3.24Å; G532-E544 WeakPolarHBondContact CA-O 3.4Å; A533-E544 HydrophobicContact CB-CB 4.38Å; A533-E544 HydrophobicContact CB-CG 4.37Å; A533-E544 PolarHBondContact N-O 2.79Å; A533-E544 PolarHBondContact O-N 2.72Å |
| 545 | L | 90 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.7 | -168.9 | -66.3 | 161.8 | 0 | 0 | 0 | 111.6 | M348 L349 I351 L521 M529 I543 | M348-L545 PolarHBondContact N-O 2.99Å; M348-L545 VanDerWaalsContact N-O 3.16Å; L349-L545 HydrophobicContact CB-CB 4.32Å; L349-L545 HydrophobicContact CD2-CD1 4.22Å; L349-L545 PolarHBondContact N-O 3.29Å; L349-L545 PolarHBondContact O-N 3.42Å; I351-L545 HydrophobicContact CD1-CD1 3.77Å; I351-L545 HydrophobicContact CG1-CD1 4.3Å; L521-L545 HydrophobicContact CD1-CD2 4.35Å; M529-L545 HydrophobicContact CB-CD2 4.42Å; M529-L545 HydrophobicContact CE-CD1 4.39Å; M529-L545 HydrophobicContact SD-CD1 3.75Å; I543-L545 HydrophobicContact CG2-CD1 4.05Å; I543-L545 HydrophobicContact CG2-CD2 4.15Å; I543-L545 HydrophobicContact CG2-CG 3.96Å |
| 546 | N | 91.9 | Very high | 91.2 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 161.3 | 156 | -72.1 | 5.5 | 0 | 0 | 0 | 109.1 | K347 M348 M529 T530 N531 | K347-N546 WeakPolarHBondContact CD-OD1 3.3Å; M348-N546 HydrophobicContact CG-CB 4.44Å; M348-N546 PolarHBondContact N-OD1 2.85Å; M348-N546 HydrophobicContact SD-CB 3.94Å; M529-N546 CarbonylContact C-O 3.59Å; M529-N546 WeakPolarHBondContact CA-O 3.46Å; T530-N546 PolarHBondContact N-O 2.83Å; T530-N546 PolarHBondContact O-N 3.42Å; T530-N546 WeakPolarHBondContact OG1-CB 3.42Å; N531-N546 HydrophobicContact CB-CB 4.46Å |
| 547 | F | 90.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155.7 | 171.9 | 54 | -109.9 | 0 | 0 | 0 | 110.7 | G72 E75 I76 M348 L349 F527 S528 F549 | G72-F547 WeakPolarHBondContact O-CZ 3.42Å; E75-F547 HydrophobicContact CB-CE2 4.02Å; E75-F547 HydrophobicContact CG-CD2 3.96Å; E75-F547 HydrophobicContact CG-CE2 3.83Å; I76-F547 HydrophobicContact CD1-CE2 4.48Å; I76-F547 HydrophobicContact CD1-CZ 4.14Å; I76-F547 HydrophobicContact CG1-CE2 3.98Å; I76-F547 HydrophobicContact CG1-CZ 4.14Å; M348-F547 HydrophobicContact CB-CD1 3.95Å; M348-F547 HydrophobicContact CB-CE1 3.67Å; M348-F547 HydrophobicContact CB-CZ 4.01Å; M348-F547 HydrophobicContact SD-CD2 4.29Å; M348-F547 HydrophobicContact SD-CE2 4.41Å; M348-F547 HydrophobicContact SD-CG 4.47Å; M348-F547 PolarHBondContact SD-N 2.79Å; L349-F547 HydrophobicContact CB-CD1 3.96Å; L349-F547 HydrophobicContact CB-CE1 4.02Å; F527-F547 HydrophobicContact CD2-CB 4.2Å; S528-F547 CarbonylContact O-C 3.52Å; S528-F547 WeakPolarHBondContact O-CA 3.41Å; S528-F547 WeakPolarHBondContact O-CB 3.45Å; F547-F549 HydrophobicContact CD2-CD2 4.31Å; F547-F549 AromaticContact CD2-CE2 3.83Å; F547-F549 HydrophobicContact CD2-CE2 3.83Å; F547-F549 HydrophobicContact CE2-CD2 4.47Å; F547-F549 AromaticContact CE2-CE2 3.74Å; F547-F549 HydrophobicContact CE2-CE2 3.74Å |
| 548 | H | 90.8 | Very high | 90.2 | Very high | 74 Ų | 74 | 40 Ų | 40 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.9 | 175.1 | -65.8 | -58.3 | 0 | 0 | 0 | 111.6 | E75 F527 S528 | E75-H548 WeakPolarHBondContact OE1-CA 3.01Å; E75-H548 IonicContact OE1-CE1 3.16Å; E75-H548 IonicContact OE1-CG 3.55Å; E75-H548 IonicContact OE1-ND1 2.68Å; E75-H548 PolarHBondContact OE1-ND1 3.38Å; F527-H548 CarbonylContact C-O 3.57Å; F527-H548 WeakPolarHBondContact CA-O 3.47Å; F527-H548 WeakPolarHBondContact CB-O 3.32Å; S528-H548 PolarHBondContact N-O 3.33Å; S528-H548 PolarHBondContact O-N 2.95Å |
| 549 | F | 89.7 | Confident | 89.7 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 138.8 | -177.3 | -76 | -89 | 0 | 0 | 0 | 113.4 | E75 I76 A79 L526 F527 F547 N551 L554 | E75-F549 HydrophobicContact CG-CD2 4.4Å; I76-F549 HydrophobicContact CB-CE2 4.45Å; I76-F549 HydrophobicContact CG1-CE2 3.67Å; I76-F549 HydrophobicContact CG1-CZ 4.04Å; A79-F549 HydrophobicContact CB-CB 3.49Å; A79-F549 VanDerWaalsContact CB-CB 3.49Å; A79-F549 HydrophobicContact CB-CD2 3.57Å; A79-F549 HydrophobicContact CB-CE2 4.47Å; A79-F549 HydrophobicContact CB-CG 3.64Å; L526-F549 CarbonylContact O-C 3.46Å; L526-F549 WeakPolarHBondContact O-CA 3.45Å; L526-F549 WeakPolarHBondContact O-CD1 3.17Å; F527-F549 HydrophobicContact CB-CD1 3.93Å; F527-F549 HydrophobicContact CB-CE1 4.14Å; F527-F549 HydrophobicContact CB-CG 4.25Å; F527-F549 HydrophobicContact CD1-CE1 4.25Å; F527-F549 HydrophobicContact CG-CE1 4.46Å; F547-F549 HydrophobicContact CD2-CD2 4.31Å; F547-F549 AromaticContact CD2-CE2 3.83Å; F547-F549 HydrophobicContact CD2-CE2 3.83Å; F547-F549 HydrophobicContact CE2-CD2 4.47Å; F547-F549 AromaticContact CE2-CE2 3.74Å; F547-F549 HydrophobicContact CE2-CE2 3.74Å; F549-N551 PolarHBondContact O-N 3.22Å; F549-N551 VanDerWaalsContact O-N 3.09Å; F549-L554 HydrophobicContact CB-CD2 4.46Å; F549-L554 HydrophobicContact CD1-CD2 4.05Å; F549-L554 HydrophobicContact CG-CD2 4.38Å |
| 550 | N | 89.8 | Confident | 88.9 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | trans | -76.9 | 92.7 | 166.4 | -179.8 | -9.8 | 0 | 0 | 0 | 109.5 | D525 L526 A552 A553 L554 | D525-N550 PolarHBondContact O-ND2 2.97Å; L526-N550 PolarHBondContact O-N 3.47Å; N550-A552 PolarHBondContact O-N 3.26Å; N550-A552 PolarHBondContact OD1-N 3.14Å; N550-A553 HydrophobicContact CB-CB 3.97Å; N550-A553 PolarHBondContact O-N 3.04Å; N550-A553 PolarHBondContact OD1-N 2.87Å; N550-L554 PolarHBondContact O-N 2.7Å | ||
| 551 | N | 91.3 | Very high | 87.8 | Confident | 52 Ų | 52 | 51 Ų | 51 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -53.2 | -29.9 | -179 | -66.7 | -58.4 | 0 | 0 | 0 | 113.9 | A79 N82 S83 I86 F549 A555 | A79-N551 WeakPolarHBondContact CA-OD1 3.2Å; A79-N551 PolarHBondContact O-OD1 3.44Å; N82-N551 WeakPolarHBondContact CB-OD1 3.49Å; S83-N551 WeakPolarHBondContact OG-CA 3.38Å; S83-N551 PolarHBondContact OG-O 2.05Å; I86-N551 HydrophobicContact CD1-CB 4.14Å; F549-N551 PolarHBondContact O-N 3.22Å; F549-N551 VanDerWaalsContact O-N 3.09Å; N551-A555 WeakPolarHBondContact O-CB 3.32Å; N551-A555 PolarHBondContact O-N 3.27Å |
| 552 | A | 90.5 | Very high | 86.9 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 54% | 0.537 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -75.7 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N550 K556 | N550-A552 PolarHBondContact O-N 3.26Å; N550-A552 PolarHBondContact OD1-N 3.14Å; A552-K556 WeakPolarHBondContact O-CB 3.49Å; A552-K556 PolarHBondContact O-N 2.97Å |
| 553 | A | 87.4 | Confident | 85.9 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D525 L526 N550 K556 L557 | D525-A553 WeakPolarHBondContact O-CB 3.42Å; L526-A553 HydrophobicContact CD2-CB 4.23Å; N550-A553 HydrophobicContact CB-CB 3.97Å; N550-A553 PolarHBondContact O-N 3.04Å; N550-A553 PolarHBondContact OD1-N 2.87Å; A553-K556 WeakPolarHBondContact O-CB 3.49Å; A553-K556 PolarHBondContact O-N 2.81Å; A553-L557 PolarHBondContact O-N 3.21Å |
| 554 | L | 87.5 | Confident | 84.5 | Confident | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.3 | -178.7 | 56.4 | 0 | 0 | 0 | 111.5 | A79 V80 S83 F549 N550 K556 L557 I558 | A79-L554 HydrophobicContact CB-CD2 4.1Å; V80-L554 HydrophobicContact CG2-CD2 4.39Å; S83-L554 WeakPolarHBondContact OG-CB 3.48Å; S83-L554 WeakPolarHBondContact OG-CD2 3.36Å; S83-L554 WeakPolarHBondContact OG-CG 3.26Å; F549-L554 HydrophobicContact CB-CD2 4.46Å; F549-L554 HydrophobicContact CD1-CD2 4.05Å; F549-L554 HydrophobicContact CG-CD2 4.38Å; N550-L554 PolarHBondContact O-N 2.7Å; L554-K556 VanDerWaalsContact C-N 3.33Å; L554-K556 PolarHBondContact O-N 3.31Å; L554-L557 PolarHBondContact O-N 3.42Å; L554-I558 HydrophobicContact CD1-CD1 4.31Å; L554-I558 HydrophobicContact CD1-CG1 4.41Å; L554-I558 HydrophobicContact CG-CD1 4.12Å; L554-I558 VanDerWaalsContact O-CG1 3.31Å; L554-I558 WeakPolarHBondContact O-CG1 3.03Å; L554-I558 PolarHBondContact O-N 2.97Å |
| 555 | A | 89.4 | Confident | 82.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | S83 I86 A87 N551 I558 R559 | S83-A555 WeakPolarHBondContact O-CB 3.47Å; I86-A555 HydrophobicContact CB-CB 3.75Å; I86-A555 HydrophobicContact CG2-CB 3.63Å; A87-A555 HydrophobicContact CB-CB 4.23Å; N551-A555 WeakPolarHBondContact O-CB 3.32Å; N551-A555 PolarHBondContact O-N 3.27Å; A555-I558 PolarHBondContact O-N 2.92Å; A555-R559 WeakPolarHBondContact O-CG 3.36Å; A555-R559 PolarHBondContact O-N 3.48Å |
| 556 | K | 87.9 | Confident | 80.3 | Confident | 163 Ų | 163 | 65 Ų | 65 | 71% | 0.709 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 174.4 | -175 | -178.2 | 178.5 | -176.8 | 0 | 111.7 | A552 A553 L554 K560 | A552-K556 WeakPolarHBondContact O-CB 3.49Å; A552-K556 PolarHBondContact O-N 2.97Å; A553-K556 WeakPolarHBondContact O-CB 3.49Å; A553-K556 PolarHBondContact O-N 2.81Å; L554-K556 VanDerWaalsContact C-N 3.33Å; L554-K556 PolarHBondContact O-N 3.31Å; K556-K560 PolarHBondContact O-N 2.62Å; K556-K560 VanDerWaalsContact O-N 3.12Å |
| 557 | L | 81.5 | Confident | 77.8 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 174.3 | 177.3 | 59.6 | 0 | 0 | 0 | 111.6 | L526 A553 L554 R559 K560 I561 | L526-L557 HydrophobicContact CD1-CD2 3.88Å; L526-L557 HydrophobicContact CD2-CB 4.36Å; L526-L557 HydrophobicContact CD2-CD2 3.97Å; A553-L557 PolarHBondContact O-N 3.21Å; L554-L557 PolarHBondContact O-N 3.42Å; L557-R559 PolarHBondContact O-N 3.44Å; L557-K560 WeakPolarHBondContact O-CB 3.34Å; L557-K560 PolarHBondContact O-N 3.08Å; L557-K560 VanDerWaalsContact O-N 3.09Å; L557-I561 HydrophobicContact CD1-CD1 4.08Å; L557-I561 HydrophobicContact CD1-CG1 4.35Å; L557-I561 HydrophobicContact CG-CD1 4.01Å; L557-I561 WeakPolarHBondContact O-CG1 3.32Å; L557-I561 PolarHBondContact O-N 3.21Å |
| 558 | I | 84 | Confident | 75.6 | Confident | 24 Ų | 24 | 71.3 Ų | 71.3 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58 | -47.2 | 177.5 | -70.7 | 168.2 | 0 | 0 | 0 | 110.9 | L84 A87 L554 A555 K560 I561 L562 | L84-I558 HydrophobicContact CD2-CD1 4.37Å; L84-I558 HydrophobicContact CD2-CG2 3.82Å; L84-I558 HydrophobicContact CG-CD1 4.28Å; A87-I558 HydrophobicContact CB-CB 4.17Å; A87-I558 HydrophobicContact CB-CG2 3.75Å; L554-I558 HydrophobicContact CD1-CD1 4.31Å; L554-I558 HydrophobicContact CD1-CG1 4.41Å; L554-I558 HydrophobicContact CG-CD1 4.12Å; L554-I558 VanDerWaalsContact O-CG1 3.31Å; L554-I558 WeakPolarHBondContact O-CG1 3.03Å; L554-I558 PolarHBondContact O-N 2.97Å; A555-I558 PolarHBondContact O-N 2.92Å; I558-K560 VanDerWaalsContact C-N 3.31Å; I558-K560 PolarHBondContact O-N 3.16Å; I558-I561 PolarHBondContact O-N 3.24Å; I558-L562 HydrophobicContact CG2-CD1 3.71Å; I558-L562 HydrophobicContact CG2-CG 4.27Å; I558-L562 WeakPolarHBondContact O-CG 3.25Å; I558-L562 PolarHBondContact O-N 2.89Å |
| 559 | R | 84.2 | Confident | 73.1 | Confident | 110 Ų | 110 | 73.6 Ų | 73.6 | 42% | 0.415 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.3 | -41 | 175 | -74.6 | -176.5 | -176.9 | 154 | 1.6 | 112.3 | I86 A87 A555 L557 S563 | I86-R559 PolarHBondContact O-NH2 3.32Å; A87-R559 HydrophobicContact CB-CG 3.88Å; A87-R559 WeakPolarHBondContact O-CG 3.21Å; A87-R559 PolarHBondContact O-NE 3.17Å; A555-R559 WeakPolarHBondContact O-CG 3.36Å; A555-R559 PolarHBondContact O-N 3.48Å; L557-R559 PolarHBondContact O-N 3.44Å; R559-S563 WeakPolarHBondContact O-CB 2.98Å; R559-S563 PolarHBondContact O-N 2.98Å; R559-S563 PolarHBondContact O-OG 3.16Å |
| 560 | K | 78.5 | Confident | 70.3 | Confident | 138 Ų | 138 | 85.2 Ų | 85.2 | 60% | 0.6 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.5 | -51.4 | 176.7 | -172.1 | -170.1 | 175.5 | -165.8 | 0 | 110.7 | K556 L557 I558 S563 H564 | K556-K560 PolarHBondContact O-N 2.62Å; K556-K560 VanDerWaalsContact O-N 3.12Å; L557-K560 WeakPolarHBondContact O-CB 3.34Å; L557-K560 PolarHBondContact O-N 3.08Å; L557-K560 VanDerWaalsContact O-N 3.09Å; I558-K560 VanDerWaalsContact C-N 3.31Å; I558-K560 PolarHBondContact O-N 3.16Å; K560-S563 PolarHBondContact O-N 3.24Å; K560-S563 PolarHBondContact O-OG 2.96Å; K560-H564 PolarHBondContact O-N 2.04Å |
| 561 | I | 72.1 | Confident | 69.3 | Low | 107 Ų | 107 | 85.6 Ų | 85.6 | 55% | 0.549 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.8 | -50.6 | -179.9 | -65.3 | 165.7 | 0 | 0 | 0 | 110.6 | L557 I558 S563 H564 S565 | L557-I561 HydrophobicContact CD1-CD1 4.08Å; L557-I561 HydrophobicContact CD1-CG1 4.35Å; L557-I561 HydrophobicContact CG-CD1 4.01Å; L557-I561 WeakPolarHBondContact O-CG1 3.32Å; L557-I561 PolarHBondContact O-N 3.21Å; I558-I561 PolarHBondContact O-N 3.24Å; I561-S563 VanDerWaalsContact C-N 3.28Å; I561-S563 PolarHBondContact O-N 3.28Å; I561-H564 PolarHBondContact O-N 3Å; I561-S565 PolarHBondContact O-N 2.94Å |
| 562 | L | 74 | Confident | 68.1 | Low | 60 Ų | 60 | 87.3 Ų | 87.3 | 31% | 0.314 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -32.1 | -179.8 | -66.7 | 174 | 0 | 0 | 0 | 113.1 | L88 L91 I558 | L88-L562 HydrophobicContact CD2-CD1 3.77Å; L91-L562 HydrophobicContact CD2-CB 4.06Å; L91-L562 HydrophobicContact CD2-CD1 3.67Å; L91-L562 HydrophobicContact CD2-CG 4.49Å; I558-L562 HydrophobicContact CG2-CD1 3.71Å; I558-L562 HydrophobicContact CG2-CG 4.27Å; I558-L562 WeakPolarHBondContact O-CG 3.25Å; I558-L562 PolarHBondContact O-N 2.89Å |
| 563 | S | 71.1 | Confident | 66.9 | Low | 66 Ų | 66 | 88.6 Ų | 88.6 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -77.1 | -32.5 | 175.9 | 69.1 | 0 | 0 | 0 | 0 | 113.9 | R559 K560 I561 | R559-S563 WeakPolarHBondContact O-CB 2.98Å; R559-S563 PolarHBondContact O-N 2.98Å; R559-S563 PolarHBondContact O-OG 3.16Å; K560-S563 PolarHBondContact O-N 3.24Å; K560-S563 PolarHBondContact O-OG 2.96Å; I561-S563 VanDerWaalsContact C-N 3.28Å; I561-S563 PolarHBondContact O-N 3.28Å |
| 564 | H | 61.5 | Low | 65.7 | Low | 111 Ų | 111 | 92.4 Ų | 92.4 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -78.4 | -26.5 | -172.5 | -148.3 | -21.7 | 0 | 0 | 0 | 113.3 | K560 I561 S566 S567 | K560-H564 PolarHBondContact O-N 2.04Å; I561-H564 PolarHBondContact O-N 3Å; H564-S566 PolarHBondContact O-N 3.43Å; H564-S567 PolarHBondContact CE1-OG 2.77Å; H564-S567 PolarHBondContact ND1-OG 3.11Å; H564-S567 PolarHBondContact O-N 3.47Å; H564-S567 PolarHBondContact O-OG 3.23Å; H564-S567 VanDerWaalsContact O-OG 3.06Å |
| 565 | S | 51.5 | Low | 64.3 | Low | 88 Ų | 88 | 96.9 Ų | 96.9 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -18.1 | 177.5 | -174.1 | 0 | 0 | 0 | 0 | 114.3 | I561 | I561-S565 PolarHBondContact O-N 2.94Š|
| 566 | S | 41.9 | Very low | 62.6 | Low | 29 Ų | 29 | 103.3 Ų | 103.3 | 20% | 0.203 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.2 | 177.8 | -160.9 | 0 | 0 | 0 | 0 | 115.4 | R94 N95 H564 | R94-S566 PolarHBondContact O-OG 2.99Å; N95-S566 PolarHBondContact O-OG 3.38Å; N95-S566 VanDerWaalsContact O-OG 3.13Å; H564-S566 PolarHBondContact O-N 3.43Å |
| 567 | S | 39.4 | Very low | 60.8 | Low | 60 Ų | 60 | 99 Ų | 99 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -87.4 | -26.4 | -172.4 | 60.6 | 0 | 0 | 0 | 0 | 114.9 | H564 | H564-S567 PolarHBondContact CE1-OG 2.77Å; H564-S567 PolarHBondContact ND1-OG 3.11Å; H564-S567 PolarHBondContact O-N 3.47Å; H564-S567 PolarHBondContact O-OG 3.23Å; H564-S567 VanDerWaalsContact O-OG 3.06Å |
| 568 | N | 43.6 | Very low | 59.3 | Low | 115 Ų | 115 | 101.6 Ų | 101.6 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -98.2 | 16.5 | -166.7 | -63.8 | 7.2 | 0 | 0 | 0 | 113.7 | ||
| 569 | N | 38.2 | Very low | 57.2 | Low | 122 Ų | 122 | 108.1 Ų | 108.1 | 65% | 0.652 | 54% | 0.538 | S | S | * | . | trans | -120.6 | 51.4 | 175.1 | -84.2 | -58.3 | 0 | 0 | 0 | 111 | ||||
| 570 | R | 30.3 | Very low | 54.7 | Low | 291 Ų | 291 | 107.9 Ų | 107.9 | 100% | 1.098 | 55% | 0.549 | S | S | * | . | trans | -120.9 | 0 | 164.3 | -76.1 | -171.5 | 177.9 | -169.3 | 0.5 | 109 |
Retrieved 570 of 570 residues in 346.2 ms
(Link to these results)