| 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 | 44.6 | Very low | 44.2 | Very low | 226 Ų | 226 | 152.7 Ų | 152.7 | 100% | 1.113 | 70% | 0.701 | S | S | * | * | 0 | -36 | 0 | -120.4 | 172.3 | -177.6 | 0 | 0 | 113.8 | D3 K4 | M1-D3 PolarHBondContact O-N 3.18Å; M1-K4 PolarHBondContact O-N 3.26Å | |||
| 2 | A | 41 | Very low | 44.9 | Very low | 72 Ų | 72 | 155.2 Ų | 155.2 | 60% | 0.595 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -51.7 | -41.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | K4 V5 R6 | A2-K4 VanDerWaalsContact C-N 3.33Å; A2-K4 PolarHBondContact O-N 3.17Å; A2-V5 WeakPolarHBondContact O-CB 3.4Å; A2-V5 PolarHBondContact O-N 3.24Å; A2-R6 PolarHBondContact O-N 3.17Å |
| 3 | D | 41.2 | Very low | 45.8 | Very low | 115 Ų | 115 | 159 Ų | 159 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -67.2 | -27.1 | -171.7 | -61.8 | -70.9 | 0 | 0 | 0 | 115.3 | M1 V5 R6 R7 | M1-D3 PolarHBondContact O-N 3.18Å; D3-V5 VanDerWaalsContact C-N 3.26Å; D3-V5 PolarHBondContact O-N 3.32Å; D3-R6 PolarHBondContact O-N 3.28Å; D3-R7 PolarHBondContact O-N 3.07Å |
| 4 | K | 41.4 | Very low | 47.4 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -63.4 | -34.2 | 171.5 | -86.5 | -171.1 | 173.7 | -178.7 | 0 | 111.5 | M1 A2 | M1-K4 PolarHBondContact O-N 3.26Å; A2-K4 VanDerWaalsContact C-N 3.33Å; A2-K4 PolarHBondContact O-N 3.17Å |
| 5 | V | 45.2 | Very low | 48.8 | Very low | 84 Ų | 84 | 148.7 Ų | 148.7 | 51% | 0.509 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -73.6 | -39.1 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 111 | A2 D3 R7 Q8 | A2-V5 WeakPolarHBondContact O-CB 3.4Å; A2-V5 PolarHBondContact O-N 3.24Å; D3-V5 VanDerWaalsContact C-N 3.26Å; D3-V5 PolarHBondContact O-N 3.32Å; V5-R7 PolarHBondContact O-N 3.06Å; V5-Q8 PolarHBondContact O-N 3.06Å |
| 6 | R | 43.1 | Very low | 50.4 | Low | 202 Ų | 202 | 151 Ų | 151 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -63.9 | -40.2 | -179.1 | -128.5 | 175.4 | -176.7 | 176.6 | -0.2 | 112.3 | A2 D3 Q8 | A2-R6 PolarHBondContact O-N 3.17Å; D3-R6 PolarHBondContact O-N 3.28Å; R6-Q8 PolarHBondContact O-N 2.78Å |
| 7 | R | 43.9 | Very low | 51.8 | Low | 214 Ų | 214 | 145.4 Ų | 145.4 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -73.5 | -19.1 | 178.4 | -72.1 | -173.5 | 175.1 | -172.6 | -1.1 | 115 | D3 V5 | D3-R7 PolarHBondContact O-N 3.07Å; V5-R7 PolarHBondContact O-N 3.06Å |
| 8 | Q | 43.4 | Very low | 53 | Low | 126 Ų | 126 | 142.9 Ų | 142.9 | 59% | 0.589 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83.8 | -27 | 179.1 | -76.3 | -175.6 | -12.6 | 0 | 0 | 114.3 | V5 R6 R11 R12 | V5-Q8 PolarHBondContact O-N 3.06Å; R6-Q8 PolarHBondContact O-N 2.78Å; Q8-R11 PolarHBondContact O-N 3.34Å; Q8-R12 PolarHBondContact O-N 2.99Å |
| 9 | R | 44.9 | Very low | 54.5 | Low | 183 Ų | 183 | 138.8 Ų | 138.8 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -57 | -46.6 | -179.1 | -71.8 | -173 | 176.3 | -161.9 | -1.7 | 115 | R12 R13 | R9-R12 PolarHBondContact O-N 3.03Å; R9-R13 PolarHBondContact O-N 2.88Å; R9-R13 VanDerWaalsContact O-N 3.15Å |
| 10 | P | 46.8 | Very low | 55.4 | Low | 74 Ų | 74 | 134.8 Ų | 134.8 | 48% | 0.481 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.6 | -42.3 | 177.9 | 24.1 | -33.2 | 0 | 0 | 0 | 112.1 | R12 R13 V14 | P10-R12 PolarHBondContact O-N 3.26Å; P10-R13 PolarHBondContact O-N 2.85Å; P10-R13 VanDerWaalsContact O-N 3.15Å; P10-V14 WeakPolarHBondContact O-CG2 3.19Å; P10-V14 PolarHBondContact O-N 2.87Å |
| 11 | R | 50.8 | Low | 56.2 | Low | 203 Ų | 203 | 132.2 Ų | 132.2 | 77% | 0.766 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.2 | -43.3 | 175.8 | -82.8 | -173.5 | 170.3 | -174.9 | -3.6 | 112.3 | Q8 R13 V14 C15 | Q8-R11 PolarHBondContact O-N 3.34Å; R11-R13 PolarHBondContact O-N 3.28Å; R11-V14 PolarHBondContact O-N 2.86Å; R11-C15 WeakPolarHBondContact O-CB 3.31Å; R11-C15 PolarHBondContact O-N 2.76Å; R11-C15 PolarHBondContact O-SG 3.26Å |
| 12 | R | 52.3 | Low | 57.3 | Low | 182 Ų | 182 | 126.1 Ų | 126.1 | 69% | 0.687 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.2 | -41.7 | 174.3 | -87 | -171.3 | 170.7 | -171 | -2.8 | 112.7 | Q8 R9 P10 C15 W16 | Q8-R12 PolarHBondContact O-N 2.99Å; R9-R12 PolarHBondContact O-N 3.03Å; P10-R12 PolarHBondContact O-N 3.26Å; R12-C15 PolarHBondContact O-N 3.4Å; R12-W16 PolarHBondContact O-N 2.7Å |
| 13 | R | 57.4 | Low | 58.3 | Low | 205 Ų | 205 | 127.3 Ų | 127.3 | 77% | 0.774 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.9 | -40.9 | 176.1 | -77 | -172.6 | 171.2 | -172.3 | -4.6 | 112.6 | R9 P10 R11 W16 A17 | R9-R13 PolarHBondContact O-N 2.88Å; R9-R13 VanDerWaalsContact O-N 3.15Å; P10-R13 PolarHBondContact O-N 2.85Å; P10-R13 VanDerWaalsContact O-N 3.15Å; R11-R13 PolarHBondContact O-N 3.28Å; R13-W16 PolarHBondContact O-N 2.74Å; R13-A17 WeakPolarHBondContact O-CB 3.41Å; R13-A17 PolarHBondContact O-N 3.43Å |
| 14 | V | 67.9 | Low | 59.1 | Low | 88 Ų | 88 | 124.4 Ų | 124.4 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.2 | -39.9 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | P10 R11 A17 L18 | P10-V14 WeakPolarHBondContact O-CG2 3.19Å; P10-V14 PolarHBondContact O-N 2.87Å; R11-V14 PolarHBondContact O-N 2.86Å; V14-A17 PolarHBondContact O-N 3.42Å; V14-L18 HydrophobicContact CG1-CD1 4.07Å; V14-L18 WeakPolarHBondContact O-CB 3.37Å; V14-L18 PolarHBondContact O-N 2.68Å |
| 15 | C | 68.1 | Low | 59.6 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 51% | 0.507 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.1 | -43.5 | 172.4 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | R11 R12 L18 V19 | R11-C15 WeakPolarHBondContact O-CB 3.31Å; R11-C15 PolarHBondContact O-N 2.76Å; R11-C15 PolarHBondContact O-SG 3.26Å; R12-C15 PolarHBondContact O-N 3.4Å; C15-L18 PolarHBondContact O-N 2.73Å; C15-V19 WeakPolarHBondContact O-CB 3.29Å; C15-V19 VanDerWaalsContact O-CG2 3.29Å; C15-V19 WeakPolarHBondContact O-CG2 3.39Å; C15-V19 PolarHBondContact O-N 3.49Å |
| 16 | W | 75.1 | Confident | 59.8 | Low | 186 Ų | 186 | 121.3 Ų | 121.3 | 71% | 0.705 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.2 | -35.8 | 175.7 | -81.7 | 112.7 | 0 | 0 | 0 | 112.7 | R12 R13 A20 | R12-W16 PolarHBondContact O-N 2.7Å; R13-W16 PolarHBondContact O-N 2.74Å; W16-A20 VanDerWaalsContact O-CB 3.28Å; W16-A20 WeakPolarHBondContact O-CB 3.22Å; W16-A20 PolarHBondContact O-N 2.84Å |
| 17 | A | 73.2 | Confident | 60.2 | Low | 56 Ų | 56 | 117.8 Ų | 117.8 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.4 | -44.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R13 V14 A20 V21 | R13-A17 WeakPolarHBondContact O-CB 3.41Å; R13-A17 PolarHBondContact O-N 3.43Å; V14-A17 PolarHBondContact O-N 3.42Å; A17-A20 PolarHBondContact O-N 3.44Å; A17-V21 WeakPolarHBondContact O-CB 3.41Å; A17-V21 WeakPolarHBondContact O-CG2 3.34Å; A17-V21 PolarHBondContact O-N 2.61Å |
| 18 | L | 74.4 | Confident | 60.3 | Low | 101 Ų | 101 | 111.6 Ų | 111.6 | 53% | 0.529 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.9 | -38.1 | 174.4 | -86.7 | 163.4 | 0 | 0 | 0 | 112.6 | V14 C15 L22 | V14-L18 HydrophobicContact CG1-CD1 4.07Å; V14-L18 WeakPolarHBondContact O-CB 3.37Å; V14-L18 PolarHBondContact O-N 2.68Å; C15-L18 PolarHBondContact O-N 2.73Å; L18-L22 VanDerWaalsContact O-CB 3.26Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.01Å; L18-L22 PolarHBondContact O-N 3.31Å |
| 19 | V | 79.9 | Confident | 60.4 | Low | 65 Ų | 65 | 111.9 Ų | 111.9 | 39% | 0.394 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.3 | -37.3 | 174.5 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | C15 L23 | C15-V19 WeakPolarHBondContact O-CB 3.29Å; C15-V19 VanDerWaalsContact O-CG2 3.29Å; C15-V19 WeakPolarHBondContact O-CG2 3.39Å; C15-V19 PolarHBondContact O-N 3.49Å; V19-L23 HydrophobicContact CG1-CD1 3.9Å; V19-L23 VanDerWaalsContact O-CB 3.27Å; V19-L23 WeakPolarHBondContact O-CB 3.49Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.12Å; V19-L23 PolarHBondContact O-N 2.87Å |
| 20 | A | 73 | Confident | 60.7 | Low | 58 Ų | 58 | 106.5 Ų | 106.5 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.4 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W16 A17 L23 A24 | W16-A20 VanDerWaalsContact O-CB 3.28Å; W16-A20 WeakPolarHBondContact O-CB 3.22Å; W16-A20 PolarHBondContact O-N 2.84Å; A17-A20 PolarHBondContact O-N 3.44Å; A20-L23 PolarHBondContact O-N 3Å; A20-A24 WeakPolarHBondContact O-CB 3.1Å; A20-A24 PolarHBondContact O-N 2.7Å |
| 21 | V | 72.9 | Confident | 61.1 | Low | 80 Ų | 80 | 109.4 Ų | 109.4 | 49% | 0.485 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.2 | -48.3 | 172.5 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | A17 L23 A24 D25 | A17-V21 WeakPolarHBondContact O-CB 3.41Å; A17-V21 WeakPolarHBondContact O-CG2 3.34Å; A17-V21 PolarHBondContact O-N 2.61Å; V21-L23 VanDerWaalsContact C-N 3.28Å; V21-L23 PolarHBondContact O-N 3.3Å; V21-A24 CarbonylContact O-C 3.52Å; V21-A24 PolarHBondContact O-N 3.2Å; V21-A24 VanDerWaalsContact O-N 3.09Å; V21-D25 WeakPolarHBondContact CG1-OD2 3.45Å; V21-D25 WeakPolarHBondContact O-CB 3.49Å; V21-D25 VanDerWaalsContact O-CG 3.28Å; V21-D25 PolarHBondContact O-N 2.93Å |
| 22 | L | 67.3 | Low | 61.9 | Low | 98 Ų | 98 | 101.1 Ų | 101.1 | 51% | 0.513 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.2 | -32.2 | 176 | -77 | 165.4 | 0 | 0 | 0 | 113.1 | L18 L26 | L18-L22 VanDerWaalsContact O-CB 3.26Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 VanDerWaalsContact O-CG 3.27Å; L18-L22 WeakPolarHBondContact O-CG 3.01Å; L18-L22 PolarHBondContact O-N 3.31Å; L22-L26 WeakPolarHBondContact O-CB 3.32Å; L22-L26 WeakPolarHBondContact O-CD1 3.46Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.75Å |
| 23 | L | 62.5 | Low | 63.5 | Low | 98 Ų | 98 | 95.8 Ų | 95.8 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 172 | -81.6 | 165.1 | 0 | 0 | 0 | 112.1 | V19 A20 V21 L26 L27 | V19-L23 HydrophobicContact CG1-CD1 3.9Å; V19-L23 VanDerWaalsContact O-CB 3.27Å; V19-L23 WeakPolarHBondContact O-CB 3.49Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.12Å; V19-L23 PolarHBondContact O-N 2.87Å; A20-L23 PolarHBondContact O-N 3Å; V21-L23 VanDerWaalsContact C-N 3.28Å; V21-L23 PolarHBondContact O-N 3.3Å; L23-L26 PolarHBondContact O-N 2.82Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 WeakPolarHBondContact O-CD1 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.23Å; L23-L27 PolarHBondContact O-N 3.03Å |
| 24 | A | 56.9 | Low | 65.2 | Low | 54 Ų | 54 | 86 Ų | 86 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A20 V21 L27 A28 | A20-A24 WeakPolarHBondContact O-CB 3.1Å; A20-A24 PolarHBondContact O-N 2.7Å; V21-A24 CarbonylContact O-C 3.52Å; V21-A24 PolarHBondContact O-N 3.2Å; V21-A24 VanDerWaalsContact O-N 3.09Å; A24-L27 PolarHBondContact O-N 3.49Å; A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3.34Å |
| 25 | D | 51.5 | Low | 66.5 | Low | 80 Ų | 80 | 81.9 Ų | 81.9 | 43% | 0.428 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 173.9 | -68.2 | -27.1 | 0 | 0 | 0 | 111 | V21 L27 A28 L29 | V21-D25 WeakPolarHBondContact CG1-OD2 3.45Å; V21-D25 WeakPolarHBondContact O-CB 3.49Å; V21-D25 VanDerWaalsContact O-CG 3.28Å; V21-D25 PolarHBondContact O-N 2.93Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 2.98Å; D25-A28 CarbonylContact O-C 3.57Å; D25-A28 PolarHBondContact O-N 2.9Å; D25-L29 WeakPolarHBondContact O-CB 3.41Å; D25-L29 WeakPolarHBondContact O-CD1 3.44Å; D25-L29 WeakPolarHBondContact O-CG 3.24Å; D25-L29 PolarHBondContact O-N 3.16Å |
| 26 | L | 50.7 | Low | 68 | Low | 119 Ų | 119 | 78.3 Ų | 78.3 | 62% | 0.623 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.2 | -33.7 | 174.1 | -87.8 | 161 | 0 | 0 | 0 | 113.1 | L22 L23 L29 S30 | L22-L26 WeakPolarHBondContact O-CB 3.32Å; L22-L26 WeakPolarHBondContact O-CD1 3.46Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.75Å; L23-L26 PolarHBondContact O-N 2.82Å; L26-L29 CarbonylContact O-C 3.59Å; L26-S30 PolarHBondContact O-N 3.35Å |
| 27 | L | 50.7 | Low | 69.1 | Low | 129 Ų | 129 | 69.4 Ų | 69.4 | 68% | 0.675 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -73.2 | -37.7 | 172.7 | -72.3 | 165.5 | 0 | 0 | 0 | 111.3 | L23 A24 D25 L29 S30 | L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 WeakPolarHBondContact O-CD1 3.25Å; L23-L27 WeakPolarHBondContact O-CG 3.23Å; L23-L27 PolarHBondContact O-N 3.03Å; A24-L27 PolarHBondContact O-N 3.49Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 2.98Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-S30 WeakPolarHBondContact O-CB 3.41Å; L27-S30 PolarHBondContact O-N 3.24Å; L27-S30 PolarHBondContact O-OG 3.47Å |
| 28 | A | 47 | Very low | 70.3 | Confident | 83 Ų | 83 | 66.8 Ų | 66.8 | 69% | 0.686 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71.7 | -25.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A24 D25 S30 | A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.32Å; A24-A28 PolarHBondContact O-N 3.34Å; D25-A28 CarbonylContact O-C 3.57Å; D25-A28 PolarHBondContact O-N 2.9Å; A28-S30 VanDerWaalsContact C-N 3.27Å |
| 29 | L | 44.3 | Very low | 71.4 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 70% | 0.696 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 14.5 | 170.5 | -70.8 | 166.3 | 0 | 0 | 0 | 112.7 | D25 L26 L27 D31 | D25-L29 WeakPolarHBondContact O-CB 3.41Å; D25-L29 WeakPolarHBondContact O-CD1 3.44Å; D25-L29 WeakPolarHBondContact O-CG 3.24Å; D25-L29 PolarHBondContact O-N 3.16Å; L26-L29 CarbonylContact O-C 3.59Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L29-D31 VanDerWaalsContact C-N 3.27Å; L29-D31 PolarHBondContact O-N 3.02Å |
| 30 | S | 51.2 | Low | 72.3 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 48% | 0.483 | 36% | 0.356 | S | S | . | . | trans | -67.9 | 95.4 | 155.2 | 60.7 | 0 | 0 | 0 | 0 | 107.9 | L26 L27 A28 T32 | L26-S30 PolarHBondContact O-N 3.35Å; L27-S30 WeakPolarHBondContact O-CB 3.41Å; L27-S30 PolarHBondContact O-N 3.24Å; L27-S30 PolarHBondContact O-OG 3.47Å; A28-S30 VanDerWaalsContact C-N 3.27Å; S30-T32 PolarHBondContact O-N 2.98Å | ||
| 31 | D | 56.6 | Low | 73.3 | Confident | 135 Ų | 135 | 58.8 Ų | 58.8 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | trans | -50.1 | 129.9 | 164.3 | -89.8 | -37.7 | 0 | 0 | 0 | 107.8 | L29 L33 | L29-D31 VanDerWaalsContact C-N 3.27Å; L29-D31 PolarHBondContact O-N 3.02Å; D31-L33 VanDerWaalsContact C-N 3.26Å; D31-L33 HydrophobicContact CB-CD2 4.2Å; D31-L33 WeakPolarHBondContact O-CG 3.47Å; D31-L33 PolarHBondContact O-N 3.18Å | ||
| 32 | T | 67.5 | Low | 74.4 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | trans | -74 | 86.7 | 180 | 51.3 | 0 | 0 | 0 | 0 | 108 | S30 A34 P168 K170 | S30-T32 PolarHBondContact O-N 2.98Å; T32-A34 VanDerWaalsContact C-N 3.32Å; T32-P168 WeakPolarHBondContact CB-O 3.18Å; T32-P168 HydrophobicContact CG2-CB 4.13Å; T32-P168 WeakPolarHBondContact CG2-O 3.36Å; T32-K170 HydrophobicContact CG2-CD 4.03Å; T32-K170 HydrophobicContact CG2-CG 4.35Å | ||
| 33 | L | 85.5 | Confident | 75.7 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | trans | -72.2 | -27.4 | -173.8 | -64.5 | 177.2 | 0 | 0 | 0 | 111.9 | D31 P52 A429 F430 | D31-L33 VanDerWaalsContact C-N 3.26Å; D31-L33 HydrophobicContact CB-CD2 4.2Å; D31-L33 WeakPolarHBondContact O-CG 3.47Å; D31-L33 PolarHBondContact O-N 3.18Å; L33-P52 HydrophobicContact CB-CG 3.55Å; L33-P52 HydrophobicContact CD1-CG 3.68Å; L33-P52 HydrophobicContact CG-CG 4.25Å; L33-A429 HydrophobicContact CB-CB 4.23Å; L33-A429 HydrophobicContact CD2-CB 3.68Å; L33-F430 WeakPolarHBondContact O-CE2 3.4Å; L33-F430 WeakPolarHBondContact O-CZ 3.37Å | ||
| 34 | A | 93.3 | Very high | 77.3 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -66.8 | 136.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T32 I49 V50 K51 A165 Q167 I169 | T32-A34 VanDerWaalsContact C-N 3.32Å; A34-I49 HydrophobicContact CB-CD1 4.36Å; A34-V50 WeakPolarHBondContact CA-O 3.26Å; A34-K51 HydrophobicContact CB-CB 3.85Å; A34-A165 HydrophobicContact CB-CB 4.27Å; A34-Q167 HydrophobicContact CB-CG 3.94Å; A34-I169 HydrophobicContact CB-CD1 4.46Å; A34-I169 HydrophobicContact CB-CG1 4.19Å | ||
| 35 | V | 95.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.2 | 169.5 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | V50 D171 A423 F430 | V35-V50 HydrophobicContact CG2-CG1 3.68Å; V35-V50 PolarHBondContact N-O 3.13Å; V35-V50 VanDerWaalsContact N-O 3.13Å; V35-V50 PolarHBondContact O-N 3.15Å; V35-V50 VanDerWaalsContact O-N 3.08Å; V35-D171 HydrophobicContact CB-CB 4.49Å; V35-D171 HydrophobicContact CG1-CB 3.85Å; V35-A423 HydrophobicContact CB-CB 4.31Å; V35-A423 HydrophobicContact CG2-CB 3.72Å; V35-F430 HydrophobicContact CG1-CE2 4.36Å; V35-F430 HydrophobicContact CG2-CD2 4.23Å; V35-F430 HydrophobicContact CG2-CE2 3.86Å |
| 36 | M | 97.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 171.5 | -176.1 | 70.3 | -178.8 | -60.2 | 0 | 0 | 112.4 | V38 V47 A48 S157 R158 A161 I169 D171 A172 V173 L197 | M36-V38 HydrophobicContact CE-CG2 3.81Å; M36-V47 HydrophobicContact CE-CG1 3.62Å; M36-A48 CarbonylContact C-O 3.6Å; M36-A48 VanDerWaalsContact CA-O 3.26Å; M36-A48 WeakPolarHBondContact CA-O 3.18Å; M36-S157 WeakPolarHBondContact CE-O 3.37Å; M36-R158 HydrophobicContact SD-CB 4.35Å; M36-R158 HydrophobicContact SD-CG 4.45Å; M36-A161 HydrophobicContact CB-CB 4.3Å; M36-A161 HydrophobicContact CE-CB 3.92Å; M36-A161 HydrophobicContact SD-CB 4.32Å; M36-I169 HydrophobicContact CB-CG2 4.12Å; M36-I169 HydrophobicContact CG-CG2 3.74Å; M36-I169 HydrophobicContact SD-CG2 3.73Å; M36-D171 PolarHBondContact N-O 3.24Å; M36-A172 HydrophobicContact CG-CB 3.57Å; M36-A172 VanDerWaalsContact O-CA 3.32Å; M36-A172 WeakPolarHBondContact O-CA 3.47Å; M36-A172 HydrophobicContact SD-CB 4.22Å; M36-V173 PolarHBondContact O-N 3.36Å; M36-V173 VanDerWaalsContact O-N 3.09Å; M36-L197 HydrophobicContact SD-CD2 4.06Å |
| 37 | S | 98.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 161.4 | 158.9 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | V47 A48 V173 A416 V420 | S37-V47 WeakPolarHBondContact O-CA 3.46Å; S37-A48 PolarHBondContact N-O 3.02Å; S37-A48 PolarHBondContact O-N 2.96Å; S37-V173 CarbonylContact C-O 3.46Å; S37-V173 WeakPolarHBondContact CA-O 3.4Å; S37-V173 WeakPolarHBondContact CB-O 3.2Å; S37-A416 PolarHBondContact OG-O 3.02Å; S37-V420 PolarHBondContact OG-N 2.95Å; S37-V420 VanDerWaalsContact OG-N 3.16Å |
| 38 | V | 98.8 | Very high | 86 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | M36 L40 M45 L154 V173 T175 | M36-V38 HydrophobicContact CE-CG2 3.81Å; V38-L40 HydrophobicContact CG1-CB 4.41Å; V38-L40 HydrophobicContact CG1-CD1 4.45Å; V38-L40 PolarHBondContact O-N 3.18Å; V38-M45 HydrophobicContact CG1-CB 4.37Å; V38-L154 HydrophobicContact CG1-CD2 4.4Å; V38-L154 HydrophobicContact CG2-CD2 4.3Å; V38-V173 PolarHBondContact N-O 2.84Å; V38-T175 PolarHBondContact O-N 2.9Å; V38-T175 PolarHBondContact O-OG1 3.09Å |
| 39 | D | 98.6 | Very high | 88.4 | Confident | 15 Ų | 15 | 29.8 Ų | 29.8 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 115 | 155.6 | 173.3 | 8.1 | 0 | 0 | 0 | 107.6 | G41 M45 K46 T175 A415 A416 | D39-G41 PolarHBondContact OD1-N 2.94Å; D39-M45 CarbonylContact O-C 3.6Å; D39-M45 WeakPolarHBondContact O-CA 3.32Å; D39-M45 WeakPolarHBondContact O-CB 3.37Å; D39-K46 HydrophobicContact CB-CB 4.43Å; D39-K46 HydrophobicContact CB-CD 3.97Å; D39-K46 PolarHBondContact N-O 3.12Å; D39-K46 PolarHBondContact O-N 2.85Å; D39-K46 VanDerWaalsContact O-N 3.1Å; D39-K46 WeakPolarHBondContact OD2-CD 3.47Å; D39-K46 WeakPolarHBondContact OD2-CE 3.39Å; D39-K46 IonicContact OD2-NZ 2.73Å; D39-K46 PolarHBondContact OD2-NZ 3.06Å; D39-T175 VanDerWaalsContact CA-OG1 3.32Å; D39-T175 WeakPolarHBondContact CA-OG1 3.39Å; D39-A415 HydrophobicContact CB-CB 4.34Å; D39-A416 HydrophobicContact CB-CB 3.91Å |
| 40 | L | 96.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 23.9 Ų | 23.9 | 11% | 0.105 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 49.5 | -171 | -169.7 | 60.5 | 0 | 0 | 0 | 111.7 | V38 L150 I174 T175 | V38-L40 HydrophobicContact CG1-CB 4.41Å; V38-L40 HydrophobicContact CG1-CD1 4.45Å; V38-L40 PolarHBondContact O-N 3.18Å; L40-L150 HydrophobicContact CD1-CD1 3.73Å; L40-L150 HydrophobicContact CD2-CD1 3.77Å; L40-L150 HydrophobicContact CD2-CD2 4.23Å; L40-L150 HydrophobicContact CG-CD1 4.34Å; L40-I174 HydrophobicContact CB-CG2 4.41Å; L40-I174 HydrophobicContact CD2-CG2 4.07Å; L40-T175 PolarHBondContact N-OG1 3.26Å |
| 41 | G | 95.6 | Very high | 92.8 | Very high | 21 Ų | 21 | 22 Ų | 22 | 22% | 0.216 | 12% | 0.123 | C | C | . | . | trans | -57 | 153.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | D39 E43 S44 V70 Q101 | D39-G41 PolarHBondContact OD1-N 2.94Å; G41-E43 PolarHBondContact O-N 2.97Å; G41-S44 WeakPolarHBondContact CA-O 3.43Å; G41-V70 WeakPolarHBondContact O-CG2 3.48Å; G41-Q101 PolarHBondContact O-NE2 2.97Å | ||
| 42 | S | 95.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 13% | 0.133 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -66 | -34.5 | -173.2 | -33.2 | 0 | 0 | 0 | 0 | 113.8 | Q101 | S42-Q101 PolarHBondContact O-NE2 3.32Å; S42-Q101 VanDerWaalsContact O-NE2 3.12Å |
| 43 | E | 95.6 | Very high | 95 | Very high | 61 Ų | 61 | 21.7 Ų | 21.7 | 29% | 0.285 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -97.9 | -42.2 | 179.6 | 174.9 | -179.2 | -157.5 | 0 | 0 | 112.8 | G41 P69 V70 Y99 S235 N314 | G41-E43 PolarHBondContact O-N 2.97Å; E43-P69 WeakPolarHBondContact O-CA 3.39Å; E43-V70 PolarHBondContact O-N 2.81Å; E43-Y99 HydrophobicContact CB-CE1 4.43Å; E43-S235 WeakPolarHBondContact CB-OG 3.45Å; E43-S235 PolarHBondContact N-OG 3.04Å; E43-N314 PolarHBondContact OE1-ND2 2.69Å |
| 44 | S | 96.4 | Very high | 95 | Very high | 25 Ų | 25 | 20.5 Ų | 20.5 | 18% | 0.175 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 140.9 | -177.7 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | G41 T68 | G41-S44 WeakPolarHBondContact CA-O 3.43Å; S44-T68 CarbonylContact C-O 3.49Å; S44-T68 VanDerWaalsContact CA-O 3.23Å; S44-T68 WeakPolarHBondContact CA-O 3.21Å; S44-T68 WeakPolarHBondContact CB-O 3.42Å |
| 45 | M | 97.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 158.6 | 172.7 | 64.5 | -177.5 | -166.8 | 0 | 0 | 110.7 | V38 D39 T68 V70 V153 Y156 S157 | V38-M45 HydrophobicContact CG1-CB 4.37Å; D39-M45 CarbonylContact O-C 3.6Å; D39-M45 WeakPolarHBondContact O-CA 3.32Å; D39-M45 WeakPolarHBondContact O-CB 3.37Å; M45-T68 HydrophobicContact CE-CG2 3.7Å; M45-T68 HydrophobicContact CG-CG2 4.49Å; M45-T68 WeakPolarHBondContact CG-O 3.28Å; M45-T68 PolarHBondContact N-O 3.39Å; M45-T68 PolarHBondContact O-N 2.94Å; M45-V70 HydrophobicContact CB-CG2 3.66Å; M45-V70 HydrophobicContact CG-CG2 3.89Å; M45-V70 HydrophobicContact SD-CG2 4.34Å; M45-V153 HydrophobicContact CE-CG1 4.18Å; M45-V153 HydrophobicContact SD-CG1 3.44Å; M45-V153 WeakPolarHBondContact SD-CG1 3.47Å; M45-Y156 HydrophobicContact CE-CD1 3.85Å; M45-Y156 HydrophobicContact CE-CE1 4.26Å; M45-S157 VanDerWaalsContact CE-OG 3.23Å; M45-S157 WeakPolarHBondContact CE-OG 3.41Å; M45-S157 PolarHBondContact SD-OG 3.39Å |
| 46 | K | 98.3 | Very high | 94.7 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 141.9 | 167.1 | -46.5 | 90.1 | -178.4 | -170 | 0 | 108 | D39 R66 K67 D412 A416 | D39-K46 HydrophobicContact CB-CB 4.43Å; D39-K46 HydrophobicContact CB-CD 3.97Å; D39-K46 PolarHBondContact N-O 3.12Å; D39-K46 PolarHBondContact O-N 2.85Å; D39-K46 VanDerWaalsContact O-N 3.1Å; D39-K46 WeakPolarHBondContact OD2-CD 3.47Å; D39-K46 WeakPolarHBondContact OD2-CE 3.39Å; D39-K46 IonicContact OD2-NZ 2.73Å; D39-K46 PolarHBondContact OD2-NZ 3.06Å; K46-R66 WeakPolarHBondContact CG-O 3.39Å; K46-K67 HydrophobicContact CD-CG 4.5Å; K46-K67 HydrophobicContact CG-CB 4.48Å; K46-K67 HydrophobicContact CG-CG 3.86Å; K46-D412 WeakPolarHBondContact CD-O 3.49Å; K46-D412 WeakPolarHBondContact CE-O 3.49Å; K46-D412 PolarHBondContact NZ-O 2.76Å; K46-A416 HydrophobicContact CB-CB 4.27Å |
| 47 | V | 98.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132 | -179.4 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | M36 S37 I58 V59 A161 | M36-V47 HydrophobicContact CE-CG1 3.62Å; S37-V47 WeakPolarHBondContact O-CA 3.46Å; V47-I58 CarbonylContact O-C 3.5Å; V47-I58 WeakPolarHBondContact O-CA 3.45Å; V47-V59 HydrophobicContact CB-CB 4.09Å; V47-V59 HydrophobicContact CG1-CB 4.09Å; V47-V59 HydrophobicContact CG1-CG2 4.02Å; V47-V59 PolarHBondContact O-N 3.35Å; V47-A161 HydrophobicContact CG1-CB 3.91Å |
| 48 | A | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | M36 S37 E57 I58 A416 V420 | M36-A48 CarbonylContact C-O 3.6Å; M36-A48 VanDerWaalsContact CA-O 3.26Å; M36-A48 WeakPolarHBondContact CA-O 3.18Å; S37-A48 PolarHBondContact N-O 3.02Å; S37-A48 PolarHBondContact O-N 2.96Å; A48-E57 CarbonylContact C-O 3.5Å; A48-E57 VanDerWaalsContact CA-O 3.23Å; A48-E57 WeakPolarHBondContact CA-O 3.47Å; A48-I58 HydrophobicContact CB-CD1 3.78Å; A48-A416 HydrophobicContact CB-CB 3.94Å; A48-V420 HydrophobicContact CB-CB 3.9Å; A48-V420 HydrophobicContact CB-CG1 3.79Å |
| 49 | I | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.2 | -173.2 | -170.9 | 170.3 | 0 | 0 | 0 | 111.4 | A34 M56 E57 V59 A161 F164 A165 I169 | A34-I49 HydrophobicContact CB-CD1 4.36Å; I49-M56 WeakPolarHBondContact O-CA 3.21Å; I49-E57 PolarHBondContact N-O 3.37Å; I49-E57 PolarHBondContact O-N 3.09Å; I49-V59 HydrophobicContact CB-CG2 3.85Å; I49-V59 HydrophobicContact CG2-CG2 3.51Å; I49-A161 HydrophobicContact CD1-CB 4.47Å; I49-F164 HydrophobicContact CD1-CD1 4.37Å; I49-F164 HydrophobicContact CG2-CD1 3.6Å; I49-F164 HydrophobicContact CG2-CE1 3.61Å; I49-A165 HydrophobicContact CD1-CB 3.56Å; I49-I169 HydrophobicContact CD1-CD1 3.73Å |
| 50 | V | 95.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 34 Ų | 34 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.5 | 158.4 | 62.7 | 0 | 0 | 0 | 0 | 109.1 | A34 V35 M56 V420 A424 F430 | A34-V50 WeakPolarHBondContact CA-O 3.26Å; V35-V50 HydrophobicContact CG2-CG1 3.68Å; V35-V50 PolarHBondContact N-O 3.13Å; V35-V50 VanDerWaalsContact N-O 3.13Å; V35-V50 PolarHBondContact O-N 3.15Å; V35-V50 VanDerWaalsContact O-N 3.08Å; V50-M56 HydrophobicContact CB-CG 3.96Å; V50-M56 HydrophobicContact CG2-CG 4.15Å; V50-V420 HydrophobicContact CB-CG2 4.24Å; V50-V420 HydrophobicContact CG1-CG2 4.03Å; V50-A424 HydrophobicContact CG1-CB 3.99Å; V50-F430 HydrophobicContact CB-CZ 4.36Å; V50-F430 HydrophobicContact CG1-CD2 4.15Å; V50-F430 HydrophobicContact CG1-CE1 4.25Å; V50-F430 HydrophobicContact CG1-CE2 3.71Å; V50-F430 HydrophobicContact CG1-CZ 3.77Å; V50-F430 HydrophobicContact CG2-CD1 4.25Å; V50-F430 HydrophobicContact CG2-CE1 3.79Å; V50-F430 HydrophobicContact CG2-CZ 4.06Å |
| 51 | K | 92.1 | Very high | 94.3 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 13% | 0.13 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155.5 | 175.1 | 73.1 | -175.3 | -170 | 177.7 | 0 | 110.1 | A34 G53 V54 F164 A165 | A34-K51 HydrophobicContact CB-CB 3.85Å; K51-G53 PolarHBondContact O-N 3.01Å; K51-V54 HydrophobicContact CD-CG2 4.31Å; K51-V54 HydrophobicContact CG-CB 3.78Å; K51-V54 HydrophobicContact CG-CG2 3.7Å; K51-V54 PolarHBondContact O-N 3.16Å; K51-F164 PolarHBondContact NZ-O 3.47Å; K51-A165 HydrophobicContact CD-CB 4.35Å; K51-A165 WeakPolarHBondContact CD-O 3.42Å; K51-A165 VanDerWaalsContact NZ-C 3.26Å; K51-A165 PolarHBondContact NZ-O 3.1Å |
| 52 | P | 86.8 | Confident | 94.1 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 44% | 0.442 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 132.2 | -179.8 | -27.3 | 34.8 | 0 | 0 | 0 | 112.6 | L33 V54 | L33-P52 HydrophobicContact CB-CG 3.55Å; L33-P52 HydrophobicContact CD1-CG 3.68Å; L33-P52 HydrophobicContact CG-CG 4.25Å; P52-V54 VanDerWaalsContact C-N 3.27Å; P52-V54 PolarHBondContact O-N 3.05Å |
| 53 | G | 84.8 | Confident | 94 | Very high | 90 Ų | 90 | 39.9 Ų | 39.9 | 93% | 0.928 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -7.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K51 | K51-G53 PolarHBondContact O-N 3.01Š|
| 54 | V | 85.2 | Confident | 94 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139 | -178.6 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | K51 P52 | K51-V54 HydrophobicContact CD-CG2 4.31Å; K51-V54 HydrophobicContact CG-CB 3.78Å; K51-V54 HydrophobicContact CG-CG2 3.7Å; K51-V54 PolarHBondContact O-N 3.16Å; P52-V54 VanDerWaalsContact C-N 3.27Å; P52-V54 PolarHBondContact O-N 3.05Å |
| 55 | P | 88.6 | Confident | 94 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 61% | 0.61 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 176.9 | 174.2 | 29.2 | -36.6 | 0 | 0 | 0 | 112.4 | E57 | P55-E57 PolarHBondContact O-N 3.29Å |
| 56 | M | 94.6 | Very high | 93.9 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127.3 | 167.7 | -67.5 | 161.6 | -173.9 | 0 | 0 | 109.3 | I49 V50 M417 V420 Y421 A424 V432 | I49-M56 WeakPolarHBondContact O-CA 3.21Å; V50-M56 HydrophobicContact CB-CG 3.96Å; V50-M56 HydrophobicContact CG2-CG 4.15Å; M56-M417 HydrophobicContact CB-CE 3.83Å; M56-V420 HydrophobicContact CB-CG1 3.93Å; M56-V420 HydrophobicContact CG-CG1 3.98Å; M56-V420 HydrophobicContact SD-CG1 4.38Å; M56-Y421 HydrophobicContact CE-CD2 3.84Å; M56-Y421 HydrophobicContact CE-CG 4.28Å; M56-Y421 HydrophobicContact SD-CD2 3.81Å; M56-Y421 HydrophobicContact SD-CG 4.37Å; M56-A424 HydrophobicContact CE-CB 3.52Å; M56-V432 HydrophobicContact CE-CG1 3.8Å |
| 57 | E | 95.3 | Very high | 93.8 | Very high | 77 Ų | 77 | 54.5 Ų | 54.5 | 36% | 0.36 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 153.7 | -176.4 | -176.4 | 160.2 | -156.8 | 0 | 0 | 112.5 | A48 I49 P55 F164 | A48-E57 CarbonylContact C-O 3.5Å; A48-E57 VanDerWaalsContact CA-O 3.23Å; A48-E57 WeakPolarHBondContact CA-O 3.47Å; I49-E57 PolarHBondContact N-O 3.37Å; I49-E57 PolarHBondContact O-N 3.09Å; P55-E57 PolarHBondContact O-N 3.29Å; E57-F164 HydrophobicContact CG-CZ 4.32Å |
| 58 | I | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.8 | 171 | -56.2 | -56.5 | 0 | 0 | 0 | 109.9 | V47 A48 R66 E413 A416 M417 | V47-I58 CarbonylContact O-C 3.5Å; V47-I58 WeakPolarHBondContact O-CA 3.45Å; A48-I58 HydrophobicContact CB-CD1 3.78Å; I58-R66 HydrophobicContact CG2-CB 4Å; I58-R66 HydrophobicContact CG2-CG 4.34Å; I58-E413 HydrophobicContact CD1-CB 4.23Å; I58-E413 HydrophobicContact CD1-CG 4.35Å; I58-E413 HydrophobicContact CG1-CB 4.26Å; I58-E413 HydrophobicContact CG1-CG 3.98Å; I58-E413 WeakPolarHBondContact CG1-OE2 3.43Å; I58-A416 HydrophobicContact CD1-CB 3.89Å; I58-M417 HydrophobicContact CD1-CG 3.96Å; I58-M417 HydrophobicContact CD1-SD 3.59Å; I58-M417 VanDerWaalsContact CD1-SD 3.59Å; I58-M417 HydrophobicContact CG1-SD 4.06Å |
| 59 | V | 97.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.5 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | V47 I49 L160 A161 F164 | V47-V59 HydrophobicContact CB-CB 4.09Å; V47-V59 HydrophobicContact CG1-CB 4.09Å; V47-V59 HydrophobicContact CG1-CG2 4.02Å; V47-V59 PolarHBondContact O-N 3.35Å; I49-V59 HydrophobicContact CB-CG2 3.85Å; I49-V59 HydrophobicContact CG2-CG2 3.51Å; V59-L160 HydrophobicContact CG1-CB 3.99Å; V59-L160 VanDerWaalsContact CG1-O 3.31Å; V59-L160 WeakPolarHBondContact CG1-O 3.45Å; V59-A161 HydrophobicContact CG2-CB 4.37Å; V59-F164 HydrophobicContact CG1-CB 4.07Å; V59-F164 HydrophobicContact CG1-CG 4.5Å; V59-F164 HydrophobicContact CG2-CB 4.27Å; V59-F164 HydrophobicContact CG2-CD1 4.38Å; V59-F164 HydrophobicContact CG2-CG 4.21Å |
| 60 | L | 96.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 38% | 0.377 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -82 | 148.4 | 173.2 | -55.9 | -176.5 | 0 | 0 | 0 | 111.1 | R65 R66 | L60-R65 WeakPolarHBondContact CA-O 3.35Å; L60-R66 HydrophobicContact CD2-CB 4.39Å; L60-R66 HydrophobicContact CD2-CG 3.41Å; L60-R66 VanDerWaalsContact CD2-CG 3.41Å |
| 61 | N | 94.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.043 | 31% | 0.307 | C | S | . | . | trans | -80 | 178.7 | 169.5 | 77.2 | -1.1 | 0 | 0 | 0 | 112.6 | E63 S64 R65 T68 D83 L160 | N61-E63 PolarHBondContact ND2-OE2 3.37Å; N61-E63 PolarHBondContact O-N 3.08Å; N61-E63 VanDerWaalsContact O-N 3.16Å; N61-E63 VanDerWaalsContact OD1-C 3.31Å; N61-E63 WeakPolarHBondContact OD1-CA 3.37Å; N61-E63 WeakPolarHBondContact OD1-CB 3.42Å; N61-E63 PolarHBondContact OD1-N 2.85Å; N61-E63 VanDerWaalsContact OD1-N 3.12Å; N61-S64 WeakPolarHBondContact O-CA 3.31Å; N61-S64 PolarHBondContact O-N 3.48Å; N61-S64 PolarHBondContact OD1-N 2.77Å; N61-R65 PolarHBondContact N-O 2.64Å; N61-R65 WeakPolarHBondContact OD1-CB 3.3Å; N61-R65 PolarHBondContact OD1-N 3.27Å; N61-T68 HydrophobicContact CB-CG2 4.5Å; N61-T68 WeakPolarHBondContact CB-OG1 3.43Å; N61-D83 PolarHBondContact ND2-OD2 3.34Å; N61-L160 HydrophobicContact CB-CD1 4.11Å | ||
| 62 | K | 91.6 | Very high | 94.1 | Very high | 113 Ų | 113 | 54.9 Ų | 54.9 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23.1 | -178.6 | -67.8 | -172.3 | 174 | -175.2 | 0 | 112.7 | S64 L160 | K62-S64 VanDerWaalsContact C-N 3.34Å; K62-L160 HydrophobicContact CG-CD2 4.15Å |
| 63 | E | 93 | Very high | 94.6 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 14.9 | 174.6 | -58.4 | 85.6 | 166.7 | 0 | 0 | 113.2 | N61 R65 D83 S84 | N61-E63 PolarHBondContact ND2-OE2 3.37Å; N61-E63 PolarHBondContact O-N 3.08Å; N61-E63 VanDerWaalsContact O-N 3.16Å; N61-E63 VanDerWaalsContact OD1-C 3.31Å; N61-E63 WeakPolarHBondContact OD1-CA 3.37Å; N61-E63 WeakPolarHBondContact OD1-CB 3.42Å; N61-E63 PolarHBondContact OD1-N 2.85Å; N61-E63 VanDerWaalsContact OD1-N 3.12Å; E63-R65 VanDerWaalsContact C-N 3.28Å; E63-R65 HydrophobicContact CB-CG 4.39Å; E63-R65 PolarHBondContact O-N 2.84Å; E63-D83 HydrophobicContact CG-CB 4.02Å; E63-S84 PolarHBondContact OE1-N 2.91Å; E63-S84 PolarHBondContact OE1-OG 2.91Å |
| 64 | S | 95.8 | Very high | 94.9 | Very high | 94 Ų | 94 | 48 Ų | 48 | 66% | 0.657 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 60.6 | 23.7 | -179.3 | -59.9 | 0 | 0 | 0 | 0 | 115.7 | N61 K62 | N61-S64 WeakPolarHBondContact O-CA 3.31Å; N61-S64 PolarHBondContact O-N 3.48Å; N61-S64 PolarHBondContact OD1-N 2.77Å; K62-S64 VanDerWaalsContact C-N 3.34Å |
| 65 | R | 95.7 | Very high | 94.9 | Very high | 137 Ų | 137 | 48.8 Ų | 48.8 | 52% | 0.517 | 24% | 0.239 | S | C | . | . | trans | -96.1 | 142.1 | -178.8 | -57.1 | 176.4 | 174.7 | -157 | -10.5 | 111.7 | L60 N61 E63 K67 D83 | L60-R65 WeakPolarHBondContact CA-O 3.35Å; N61-R65 PolarHBondContact N-O 2.64Å; N61-R65 WeakPolarHBondContact OD1-CB 3.3Å; N61-R65 PolarHBondContact OD1-N 3.27Å; E63-R65 VanDerWaalsContact C-N 3.28Å; E63-R65 HydrophobicContact CB-CG 4.39Å; E63-R65 PolarHBondContact O-N 2.84Å; R65-K67 PolarHBondContact O-N 3.14Å; R65-D83 IonicContact CZ-OD1 2.9Å; R65-D83 IonicContact NE-OD1 3.41Å; R65-D83 IonicContact NH1-OD1 3.21Å; R65-D83 PolarHBondContact NH1-OD1 2.91Å | ||
| 66 | R | 96.4 | Very high | 94.2 | Very high | 94 Ų | 94 | 51.8 Ų | 51.8 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -76.3 | -2 | 173.4 | -63.8 | 174.9 | 77.6 | 83.9 | -8.5 | 114 | K46 I58 L60 E413 | K46-R66 WeakPolarHBondContact CG-O 3.39Å; I58-R66 HydrophobicContact CG2-CB 4Å; I58-R66 HydrophobicContact CG2-CG 4.34Å; L60-R66 HydrophobicContact CD2-CB 4.39Å; L60-R66 HydrophobicContact CD2-CG 3.41Å; L60-R66 VanDerWaalsContact CD2-CG 3.41Å; R66-E413 IonicContact CZ-OE1 3.94Å; R66-E413 IonicContact CZ-OE2 2.79Å; R66-E413 IonicContact NE-OE1 2.7Å; R66-E413 PolarHBondContact NE-OE1 3.18Å; R66-E413 IonicContact NE-OE2 3.96Å; R66-E413 PolarHBondContact NE-OE2 2.67Å; R66-E413 IonicContact NH2-OE1 2.78Å; R66-E413 IonicContact NH2-OE2 3.47Å; R66-E413 PolarHBondContact NH2-OE2 2.88Å |
| 67 | K | 95.5 | Very high | 93 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | trans | -137.2 | 132.1 | 179.4 | -66.1 | -175.5 | -68.8 | -173.6 | 0 | 109.3 | K46 R65 D412 | K46-K67 HydrophobicContact CD-CG 4.5Å; K46-K67 HydrophobicContact CG-CB 4.48Å; K46-K67 HydrophobicContact CG-CG 3.86Å; R65-K67 PolarHBondContact O-N 3.14Å; K67-D412 HydrophobicContact CD-CB 4.24Å; K67-D412 WeakPolarHBondContact CD-OD2 3.44Å; K67-D412 WeakPolarHBondContact CE-OD2 3.47Å; K67-D412 IonicContact NZ-OD2 2.71Å; K67-D412 PolarHBondContact NZ-OD2 2.94Å | ||
| 68 | T | 97.6 | Very high | 92.5 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.6 | -176.4 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | S44 M45 N61 V70 Y156 | S44-T68 CarbonylContact C-O 3.49Å; S44-T68 VanDerWaalsContact CA-O 3.23Å; S44-T68 WeakPolarHBondContact CA-O 3.21Å; S44-T68 WeakPolarHBondContact CB-O 3.42Å; M45-T68 HydrophobicContact CE-CG2 3.7Å; M45-T68 HydrophobicContact CG-CG2 4.49Å; M45-T68 WeakPolarHBondContact CG-O 3.28Å; M45-T68 PolarHBondContact N-O 3.39Å; M45-T68 PolarHBondContact O-N 2.94Å; N61-T68 HydrophobicContact CB-CG2 4.5Å; N61-T68 WeakPolarHBondContact CB-OG1 3.43Å; T68-V70 PolarHBondContact O-N 3.45Å; T68-Y156 HydrophobicContact CG2-CE1 3.86Å |
| 69 | P | 97.3 | Very high | 92.3 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 131.7 | 176.4 | -26.9 | 34.2 | 0 | 0 | 0 | 113.1 | E43 I71 D83 A86 | E43-P69 WeakPolarHBondContact O-CA 3.39Å; P69-I71 HydrophobicContact CB-CB 4.49Å; P69-I71 HydrophobicContact CB-CD1 4.05Å; P69-I71 HydrophobicContact CB-CG1 4.02Å; P69-I71 PolarHBondContact O-N 3.5Å; P69-D83 WeakPolarHBondContact CD-OD2 3.43Å; P69-A86 HydrophobicContact CG-CB 4.47Å |
| 70 | V | 97.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | trans | -84 | 70.8 | 173.8 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | G41 E43 M45 T68 F100 Q101 V153 | G41-V70 WeakPolarHBondContact O-CG2 3.48Å; E43-V70 PolarHBondContact O-N 2.81Å; M45-V70 HydrophobicContact CB-CG2 3.66Å; M45-V70 HydrophobicContact CG-CG2 3.89Å; M45-V70 HydrophobicContact SD-CG2 4.34Å; T68-V70 PolarHBondContact O-N 3.45Å; V70-F100 HydrophobicContact CG1-CE1 3.9Å; V70-F100 HydrophobicContact CG1-CZ 3.76Å; V70-Q101 VanDerWaalsContact CG1-NE2 3.29Å; V70-V153 HydrophobicContact CG1-CG1 4.18Å; V70-V153 HydrophobicContact CG1-CG2 4.33Å | ||
| 71 | I | 96.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.1 | -177.5 | -55.3 | -177.3 | 0 | 0 | 0 | 107.8 | P69 A85 A86 T96 L97 R98 | P69-I71 HydrophobicContact CB-CB 4.49Å; P69-I71 HydrophobicContact CB-CD1 4.05Å; P69-I71 HydrophobicContact CB-CG1 4.02Å; P69-I71 PolarHBondContact O-N 3.5Å; I71-A85 HydrophobicContact CB-CB 4.05Å; I71-A85 HydrophobicContact CG2-CB 3.82Å; I71-A85 VanDerWaalsContact O-CB 3.28Å; I71-A85 WeakPolarHBondContact O-CB 3.32Å; I71-A86 HydrophobicContact CD1-CB 4.13Å; I71-T96 HydrophobicContact CG2-CG2 3.3Å; I71-L97 WeakPolarHBondContact CA-O 3.23Å; I71-R98 HydrophobicContact CG1-CB 4.19Å |
| 72 | V | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.1 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | L74 F80 F81 T96 L97 V149 M152 V153 | V72-L74 HydrophobicContact CG1-CD2 3.8Å; V72-L74 HydrophobicContact CG1-CG 4.1Å; V72-F80 WeakPolarHBondContact CA-O 3.46Å; V72-F81 HydrophobicContact CG1-CD1 4.38Å; V72-F81 HydrophobicContact CG1-CE1 3.95Å; V72-F81 HydrophobicContact CG2-CD1 4.04Å; V72-F81 HydrophobicContact CG2-CE1 4Å; V72-T96 CarbonylContact O-C 3.44Å; V72-T96 WeakPolarHBondContact O-CA 3.14Å; V72-L97 PolarHBondContact N-O 2.68Å; V72-L97 PolarHBondContact O-N 3.24Å; V72-V149 HydrophobicContact CB-CG1 4.28Å; V72-V149 HydrophobicContact CG2-CG1 3.92Å; V72-M152 HydrophobicContact CG1-SD 4.11Å; V72-V153 HydrophobicContact CG2-CG2 3.45Å; V72-V153 VanDerWaalsContact CG2-CG2 3.45Å |
| 73 | T | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131 | 169.6 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | R79 F80 A85 M88 N92 A95 T96 | T73-R79 WeakPolarHBondContact O-CA 3.37Å; T73-F80 HydrophobicContact CG2-CD2 4.37Å; T73-F80 PolarHBondContact N-O 3.15Å; T73-F80 PolarHBondContact O-N 3.46Å; T73-A85 PolarHBondContact OG1-O 2.9Å; T73-M88 HydrophobicContact CG2-CB 4.08Å; T73-N92 HydrophobicContact CG2-CB 4.12Å; T73-A95 WeakPolarHBondContact CA-O 3.3Å; T73-T96 VanDerWaalsContact CG2-OG1 3.28Å; T73-T96 WeakPolarHBondContact CG2-OG1 3.46Å; T73-T96 WeakPolarHBondContact OG1-CB 3.48Å; T73-T96 WeakPolarHBondContact OG1-CG2 3.24Å; T73-T96 PolarHBondContact OG1-OG1 3.3Å |
| 74 | L | 92.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 100 | -174.9 | -60.3 | 173.7 | 0 | 0 | 0 | 109.5 | V72 R79 A95 L97 I138 F144 M152 | V72-L74 HydrophobicContact CG1-CD2 3.8Å; V72-L74 HydrophobicContact CG1-CG 4.1Å; L74-R79 HydrophobicContact CD2-CB 4.33Å; L74-R79 HydrophobicContact CD2-CG 3.78Å; L74-A95 PolarHBondContact N-O 3.34Å; L74-A95 WeakPolarHBondContact O-CB 3.3Å; L74-L97 HydrophobicContact CD1-CD1 4.28Å; L74-I138 HydrophobicContact CB-CG2 3.95Å; L74-I138 HydrophobicContact CD1-CD1 4.1Å; L74-I138 HydrophobicContact CD1-CG1 3.89Å; L74-F144 HydrophobicContact CD1-CD2 3.71Å; L74-F144 HydrophobicContact CD1-CE2 3.75Å; L74-F144 HydrophobicContact CD1-CG 4.39Å; L74-F144 HydrophobicContact CD1-CZ 4.45Å; L74-M152 HydrophobicContact CD1-CE 4.49Å; L74-M152 HydrophobicContact CD2-CE 4.29Å; L74-M152 HydrophobicContact CD2-SD 3.99Å |
| 75 | K | 85.3 | Confident | 92.4 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 27% | 0.265 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 123.3 | -174.8 | 178.8 | -179.6 | -174.1 | -80.8 | 0 | 110 | N77 E78 F80 M88 | K75-N77 PolarHBondContact O-N 3.38Å; K75-N77 VanDerWaalsContact O-N 3.1Å; K75-E78 PolarHBondContact N-O 2.88Å; K75-E78 WeakPolarHBondContact O-CA 3.43Å; K75-E78 WeakPolarHBondContact O-CB 3.42Å; K75-E78 PolarHBondContact O-N 2.84Å; K75-F80 HydrophobicContact CB-CE2 4.26Å; K75-M88 HydrophobicContact CD-CE 3.72Å |
| 76 | E | 73.8 | Confident | 92.3 | Very high | 158 Ų | 158 | 38 Ų | 38 | 74% | 0.738 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 34.6 | 171 | -65.4 | 151.1 | -159.7 | 0 | 0 | 114.1 | E78 | E76-E78 VanDerWaalsContact C-N 3.28Å; E76-E78 PolarHBondContact O-N 3.12Å |
| 77 | N | 69.9 | Low | 92.1 | Very high | 88 Ų | 88 | 37.4 Ų | 37.4 | 47% | 0.471 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 0.6 | -171.4 | -58.2 | -45.2 | 0 | 0 | 0 | 116.9 | K75 L142 | K75-N77 PolarHBondContact O-N 3.38Å; K75-N77 VanDerWaalsContact O-N 3.1Å; N77-L142 WeakPolarHBondContact OD1-CD1 3.4Å |
| 78 | E | 83.3 | Confident | 92 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 146.8 | 167.8 | 178.3 | 171.7 | -178.2 | 0 | 0 | 111.8 | K75 E76 F80 K671 | K75-E78 PolarHBondContact N-O 2.88Å; K75-E78 WeakPolarHBondContact O-CA 3.43Å; K75-E78 WeakPolarHBondContact O-CB 3.42Å; K75-E78 PolarHBondContact O-N 2.84Å; E76-E78 VanDerWaalsContact C-N 3.28Å; E76-E78 PolarHBondContact O-N 3.12Å; E78-F80 HydrophobicContact CB-CE2 4.36Å; E78-F80 HydrophobicContact CG-CD2 4.38Å; E78-F80 HydrophobicContact CG-CE1 4.5Å; E78-F80 HydrophobicContact CG-CE2 3.79Å; E78-F80 HydrophobicContact CG-CZ 3.85Å; E78-F80 VanDerWaalsContact OE1-CE1 3.27Å; E78-F80 WeakPolarHBondContact OE1-CE1 3.3Å; E78-F80 WeakPolarHBondContact OE1-CZ 3.5Å; E78-K671 IonicContact OE1-NZ 3.18Å; E78-K671 PolarHBondContact OE1-NZ 2.9Å; E78-K671 IonicContact OE2-NZ 3.4Å; E78-K671 PolarHBondContact OE2-NZ 3.47Å |
| 79 | R | 93.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.9 | 174.8 | -52.9 | -172.3 | -65.4 | -170.3 | 2.9 | 111.5 | T73 L74 F81 M152 T665 D668 | T73-R79 WeakPolarHBondContact O-CA 3.37Å; L74-R79 HydrophobicContact CD2-CB 4.33Å; L74-R79 HydrophobicContact CD2-CG 3.78Å; R79-F81 HydrophobicContact CB-CE2 3.68Å; R79-F81 HydrophobicContact CB-CZ 3.78Å; R79-M152 VanDerWaalsContact CD-SD 3.54Å; R79-T665 PolarHBondContact NH2-OG1 3.21Å; R79-D668 IonicContact CZ-OD2 3.46Å; R79-D668 IonicContact NE-OD2 3.98Å; R79-D668 PolarHBondContact NE-OD2 2.96Å; R79-D668 IonicContact NH2-OD2 3.47Å; R79-D668 PolarHBondContact NH2-OD2 2.91Å |
| 80 | F | 95.1 | Very high | 91.6 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 17% | 0.167 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.6 | 167.9 | -54.9 | -94.2 | 0 | 0 | 0 | 110 | V72 T73 K75 E78 A85 M88 | V72-F80 WeakPolarHBondContact CA-O 3.46Å; T73-F80 HydrophobicContact CG2-CD2 4.37Å; T73-F80 PolarHBondContact N-O 3.15Å; T73-F80 PolarHBondContact O-N 3.46Å; K75-F80 HydrophobicContact CB-CE2 4.26Å; E78-F80 HydrophobicContact CB-CE2 4.36Å; E78-F80 HydrophobicContact CG-CD2 4.38Å; E78-F80 HydrophobicContact CG-CE1 4.5Å; E78-F80 HydrophobicContact CG-CE2 3.79Å; E78-F80 HydrophobicContact CG-CZ 3.85Å; E78-F80 VanDerWaalsContact OE1-CE1 3.27Å; E78-F80 WeakPolarHBondContact OE1-CE1 3.3Å; E78-F80 WeakPolarHBondContact OE1-CZ 3.5Å; F80-A85 HydrophobicContact CB-CB 4.11Å; F80-A85 WeakPolarHBondContact O-CB 3.41Å; F80-M88 HydrophobicContact CD1-CG 4.1Å; F80-M88 HydrophobicContact CD2-CE 4.31Å; F80-M88 HydrophobicContact CD2-CG 4.29Å; F80-M88 HydrophobicContact CE1-CE 4.31Å; F80-M88 HydrophobicContact CE1-CG 4.29Å; F80-M88 HydrophobicContact CE2-CE 3.7Å; F80-M88 HydrophobicContact CE2-CG 4.49Å; F80-M88 HydrophobicContact CG-CG 4.11Å; F80-M88 HydrophobicContact CZ-CE 3.71Å; F80-M88 HydrophobicContact CZ-CG 4.49Å |
| 81 | F | 96.3 | Very high | 91.4 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 166.2 | 177 | -58.3 | -79.8 | 0 | 0 | 0 | 111.2 | V72 R79 S84 A85 M152 Y156 | V72-F81 HydrophobicContact CG1-CD1 4.38Å; V72-F81 HydrophobicContact CG1-CE1 3.95Å; V72-F81 HydrophobicContact CG2-CD1 4.04Å; V72-F81 HydrophobicContact CG2-CE1 4Å; R79-F81 HydrophobicContact CB-CE2 3.68Å; R79-F81 HydrophobicContact CB-CZ 3.78Å; F81-S84 WeakPolarHBondContact O-CB 3.13Å; F81-S84 PolarHBondContact O-N 2.89Å; F81-A85 VanDerWaalsContact C-CB 3.5Å; F81-A85 PolarHBondContact O-N 3.48Å; F81-M152 HydrophobicContact CE1-CB 3.72Å; F81-M152 HydrophobicContact CZ-CB 3.97Å; F81-Y156 HydrophobicContact CB-CD1 3.42Å; F81-Y156 VanDerWaalsContact CB-CD1 3.42Å; F81-Y156 HydrophobicContact CB-CD2 4.15Å; F81-Y156 HydrophobicContact CB-CE1 3.43Å; F81-Y156 VanDerWaalsContact CB-CE1 3.43Å; F81-Y156 HydrophobicContact CB-CE2 4.17Å; F81-Y156 HydrophobicContact CB-CG 3.79Å; F81-Y156 HydrophobicContact CD1-CD1 4.26Å; F81-Y156 HydrophobicContact CD1-CG 4.22Å; F81-Y156 HydrophobicContact CD2-CD2 4.02Å; F81-Y156 HydrophobicContact CD2-CG 4.02Å; F81-Y156 AromaticContact CG-CD1 3.83Å; F81-Y156 HydrophobicContact CG-CD1 3.83Å; F81-Y156 HydrophobicContact CG-CD2 4.14Å; F81-Y156 HydrophobicContact CG-CE1 4.3Å; F81-Y156 AromaticContact CG-CG 3.73Å; F81-Y156 HydrophobicContact CG-CG 3.73Å |
| 82 | G | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | 59.2 | -140.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S84 A85 A86 | G82-S84 VanDerWaalsContact C-N 3.27Å; G82-S84 PolarHBondContact O-N 2.89Å; G82-A85 WeakPolarHBondContact O-CB 3.34Å; G82-A85 PolarHBondContact O-N 3.26Å; G82-A85 VanDerWaalsContact O-N 3.14Å; G82-A86 PolarHBondContact O-N 2.99Å |
| 83 | D | 94.8 | Very high | 91.2 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -30.5 | 180 | -63.7 | -89.8 | 0 | 0 | 0 | 112.5 | N61 E63 R65 P69 A86 S87 | N61-D83 PolarHBondContact ND2-OD2 3.34Å; E63-D83 HydrophobicContact CG-CB 4.02Å; R65-D83 IonicContact CZ-OD1 2.9Å; R65-D83 IonicContact NE-OD1 3.41Å; R65-D83 IonicContact NH1-OD1 3.21Å; R65-D83 PolarHBondContact NH1-OD1 2.91Å; P69-D83 WeakPolarHBondContact CD-OD2 3.43Å; D83-A86 PolarHBondContact O-N 3.41Å; D83-S87 WeakPolarHBondContact O-CB 3.39Å; D83-S87 PolarHBondContact O-N 3.24Å; D83-S87 PolarHBondContact O-OG 3.09Å |
| 84 | S | 94.2 | Very high | 91.1 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 170.3 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | E63 F81 G82 S87 M88 | E63-S84 PolarHBondContact OE1-N 2.91Å; E63-S84 PolarHBondContact OE1-OG 2.91Å; F81-S84 WeakPolarHBondContact O-CB 3.13Å; F81-S84 PolarHBondContact O-N 2.89Å; G82-S84 VanDerWaalsContact C-N 3.27Å; G82-S84 PolarHBondContact O-N 2.89Å; S84-S87 PolarHBondContact O-N 3.13Å; S84-M88 WeakPolarHBondContact O-CG 3.26Å; S84-M88 PolarHBondContact O-N 3.31Å; S84-M88 VanDerWaalsContact O-N 3.09Å |
| 85 | A | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I71 T73 F80 F81 G82 S87 M88 A89 | I71-A85 HydrophobicContact CB-CB 4.05Å; I71-A85 HydrophobicContact CG2-CB 3.82Å; I71-A85 VanDerWaalsContact O-CB 3.28Å; I71-A85 WeakPolarHBondContact O-CB 3.32Å; T73-A85 PolarHBondContact OG1-O 2.9Å; F80-A85 HydrophobicContact CB-CB 4.11Å; F80-A85 WeakPolarHBondContact O-CB 3.41Å; F81-A85 VanDerWaalsContact C-CB 3.5Å; F81-A85 PolarHBondContact O-N 3.48Å; G82-A85 WeakPolarHBondContact O-CB 3.34Å; G82-A85 PolarHBondContact O-N 3.26Å; G82-A85 VanDerWaalsContact O-N 3.14Å; A85-S87 PolarHBondContact O-N 3.06Å; A85-M88 PolarHBondContact O-N 3.08Å; A85-M88 VanDerWaalsContact O-N 3.14Å; A85-A89 PolarHBondContact O-N 3.01Å |
| 86 | A | 93.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 28% | 0.281 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.8 | -34.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P69 I71 G82 D83 A89 | P69-A86 HydrophobicContact CG-CB 4.47Å; I71-A86 HydrophobicContact CD1-CB 4.13Å; G82-A86 PolarHBondContact O-N 2.99Å; D83-A86 PolarHBondContact O-N 3.41Å; A86-A89 VanDerWaalsContact O-CB 3.26Å; A86-A89 WeakPolarHBondContact O-CB 3.38Å |
| 87 | S | 92.6 | Very high | 92.9 | Very high | 83 Ų | 83 | 38.9 Ų | 38.9 | 58% | 0.58 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -71.2 | -38.3 | 174.8 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | D83 S84 A85 A89 | D83-S87 WeakPolarHBondContact O-CB 3.39Å; D83-S87 PolarHBondContact O-N 3.24Å; D83-S87 PolarHBondContact O-OG 3.09Å; S84-S87 PolarHBondContact O-N 3.13Å; A85-S87 PolarHBondContact O-N 3.06Å; S87-A89 VanDerWaalsContact C-N 3.32Å |
| 88 | M | 93.9 | Very high | 94.2 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 15% | 0.148 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.4 | -18.7 | 176.6 | -73.2 | -66.8 | -90.8 | 0 | 0 | 113.8 | T73 K75 F80 S84 A85 I90 K91 N92 | T73-M88 HydrophobicContact CG2-CB 4.08Å; K75-M88 HydrophobicContact CD-CE 3.72Å; F80-M88 HydrophobicContact CD1-CG 4.1Å; F80-M88 HydrophobicContact CD2-CE 4.31Å; F80-M88 HydrophobicContact CD2-CG 4.29Å; F80-M88 HydrophobicContact CE1-CE 4.31Å; F80-M88 HydrophobicContact CE1-CG 4.29Å; F80-M88 HydrophobicContact CE2-CE 3.7Å; F80-M88 HydrophobicContact CE2-CG 4.49Å; F80-M88 HydrophobicContact CG-CG 4.11Å; F80-M88 HydrophobicContact CZ-CE 3.71Å; F80-M88 HydrophobicContact CZ-CG 4.49Å; S84-M88 WeakPolarHBondContact O-CG 3.26Å; S84-M88 PolarHBondContact O-N 3.31Å; S84-M88 VanDerWaalsContact O-N 3.09Å; A85-M88 PolarHBondContact O-N 3.08Å; A85-M88 VanDerWaalsContact O-N 3.14Å; M88-I90 VanDerWaalsContact C-N 3.27Å; M88-I90 PolarHBondContact O-N 2.81Å; M88-K91 PolarHBondContact O-N 3.05Å; M88-K91 HydrophobicContact SD-CD 4.03Å; M88-N92 WeakPolarHBondContact CE-ND2 3.17Å; M88-N92 PolarHBondContact O-N 3.01Å; M88-N92 PolarHBondContact O-ND2 2.99Å |
| 89 | A | 93.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -34.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A85 A86 S87 P93 T96 | A85-A89 PolarHBondContact O-N 3.01Å; A86-A89 VanDerWaalsContact O-CB 3.26Å; A86-A89 WeakPolarHBondContact O-CB 3.38Å; S87-A89 VanDerWaalsContact C-N 3.32Å; A89-P93 WeakPolarHBondContact O-CA 3.42Å; A89-T96 WeakPolarHBondContact CA-OG1 3.37Å; A89-T96 HydrophobicContact CB-CG2 3.6Å |
| 90 | I | 93.3 | Very high | 95 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -28.4 | 178 | -66.9 | 170.4 | 0 | 0 | 0 | 111.1 | M88 R304 A307 K308 | M88-I90 VanDerWaalsContact C-N 3.27Å; M88-I90 PolarHBondContact O-N 2.81Å; I90-R304 HydrophobicContact CG2-CG 4.17Å; I90-R304 WeakPolarHBondContact O-CD 3.27Å; I90-R304 WeakPolarHBondContact O-CG 3.45Å; I90-A307 HydrophobicContact CG1-CB 4.23Å; I90-K308 HydrophobicContact CD1-CG 4.26Å; I90-K308 HydrophobicContact CG2-CG 3.77Å |
| 91 | K | 93.6 | Very high | 95.1 | Very high | 147 Ų | 147 | 31.9 Ų | 31.9 | 64% | 0.639 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -35.5 | -179.5 | -65.5 | -179.9 | -177 | 176.3 | 0 | 112 | M88 P93 | M88-K91 PolarHBondContact O-N 3.05Å; M88-K91 HydrophobicContact SD-CD 4.03Å; K91-P93 VanDerWaalsContact C-CD 3.49Å |
| 92 | N | 94.8 | Very high | 95 | Very high | 36 Ų | 36 | 32.1 Ų | 32.1 | 19% | 0.193 | 17% | 0.173 | C | C | . | . | trans | -131.1 | 45.3 | -170.8 | -47.4 | -86 | 0 | 0 | 0 | 113.7 | T73 M88 K94 A95 T96 | T73-N92 HydrophobicContact CG2-CB 4.12Å; M88-N92 WeakPolarHBondContact CE-ND2 3.17Å; M88-N92 PolarHBondContact O-N 3.01Å; M88-N92 PolarHBondContact O-ND2 2.99Å; N92-K94 VanDerWaalsContact C-N 3.3Å; N92-K94 PolarHBondContact O-N 3.23Å; N92-K94 VanDerWaalsContact O-N 3.09Å; N92-A95 PolarHBondContact O-N 3.47Å; N92-T96 PolarHBondContact O-N 3.3Å; N92-T96 PolarHBondContact O-OG1 3.15Å | ||
| 93 | P | 95 | Very high | 95.1 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 8% | 0.078 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -53.2 | -40.7 | -166.1 | 20.3 | -33.6 | 0 | 0 | 0 | 114.4 | A89 K91 A95 T96 E122 H123 P303 A307 | A89-P93 WeakPolarHBondContact O-CA 3.42Å; K91-P93 VanDerWaalsContact C-CD 3.49Å; P93-A95 PolarHBondContact O-N 2.92Å; P93-A95 VanDerWaalsContact O-N 3.09Å; P93-T96 PolarHBondContact O-N 2.76Å; P93-T96 VanDerWaalsContact O-N 3.1Å; P93-E122 HydrophobicContact CB-CG 4.34Å; P93-H123 PolarHBondContact O-NE2 2.92Å; P93-P303 HydrophobicContact CB-CB 4.21Å; P93-P303 HydrophobicContact CG-CB 3.7Å; P93-A307 HydrophobicContact CB-CB 4.33Å |
| 94 | K | 94.2 | Very high | 95.2 | Very high | 138 Ų | 138 | 31.2 Ų | 31.2 | 60% | 0.6 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -56.9 | -24.4 | 177 | -64.1 | -159.1 | 167.7 | -161.1 | 0 | 114.9 | N92 E122 H123 | N92-K94 VanDerWaalsContact C-N 3.3Å; N92-K94 PolarHBondContact O-N 3.23Å; N92-K94 VanDerWaalsContact O-N 3.09Å; K94-E122 HydrophobicContact CG-CB 4.39Å; K94-E122 WeakPolarHBondContact CG-O 3.47Å; K94-H123 PolarHBondContact O-CD2 2.92Å |
| 95 | A | 94.2 | Very high | 95.2 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 13% | 0.132 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -114.7 | 14.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T73 L74 N92 P93 I138 | T73-A95 WeakPolarHBondContact CA-O 3.3Å; L74-A95 PolarHBondContact N-O 3.34Å; L74-A95 WeakPolarHBondContact O-CB 3.3Å; N92-A95 PolarHBondContact O-N 3.47Å; P93-A95 PolarHBondContact O-N 2.92Å; P93-A95 VanDerWaalsContact O-N 3.09Å; A95-I138 HydrophobicContact CB-CG2 4.22Å |
| 96 | T | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 86.3 | 179.9 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | I71 V72 T73 A89 N92 P93 H123 | I71-T96 HydrophobicContact CG2-CG2 3.3Å; V72-T96 CarbonylContact O-C 3.44Å; V72-T96 WeakPolarHBondContact O-CA 3.14Å; T73-T96 VanDerWaalsContact CG2-OG1 3.28Å; T73-T96 WeakPolarHBondContact CG2-OG1 3.46Å; T73-T96 WeakPolarHBondContact OG1-CB 3.48Å; T73-T96 WeakPolarHBondContact OG1-CG2 3.24Å; T73-T96 PolarHBondContact OG1-OG1 3.3Å; A89-T96 WeakPolarHBondContact CA-OG1 3.37Å; A89-T96 HydrophobicContact CB-CG2 3.6Å; N92-T96 PolarHBondContact O-N 3.3Å; N92-T96 PolarHBondContact O-OG1 3.15Å; P93-T96 PolarHBondContact O-N 2.76Å; P93-T96 VanDerWaalsContact O-N 3.1Å; T96-H123 PolarHBondContact O-NE2 3.35Å |
| 97 | L | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 135.9 | -177.1 | -52.2 | -175.8 | 0 | 0 | 0 | 111.4 | I71 V72 L74 F100 F136 I138 V149 | I71-L97 WeakPolarHBondContact CA-O 3.23Å; V72-L97 PolarHBondContact N-O 2.68Å; V72-L97 PolarHBondContact O-N 3.24Å; L74-L97 HydrophobicContact CD1-CD1 4.28Å; L97-F100 HydrophobicContact CB-CD1 4.42Å; L97-F136 HydrophobicContact CD1-CB 3.99Å; L97-F136 HydrophobicContact CD1-CD1 4.3Å; L97-F136 HydrophobicContact CD1-CD2 3.69Å; L97-F136 HydrophobicContact CD1-CE2 4.2Å; L97-F136 HydrophobicContact CD1-CG 3.74Å; L97-F136 HydrophobicContact CD2-CB 4.12Å; L97-F136 HydrophobicContact CD2-CD1 3.51Å; L97-F136 HydrophobicContact CD2-CD2 4.42Å; L97-F136 HydrophobicContact CD2-CE1 3.93Å; L97-F136 HydrophobicContact CD2-CG 3.77Å; L97-F136 HydrophobicContact CG-CG 4.4Å; L97-I138 HydrophobicContact CD1-CD1 4.27Å; L97-I138 HydrophobicContact CD2-CD1 4.15Å; L97-I138 HydrophobicContact CG-CD1 4.36Å; L97-V149 HydrophobicContact CB-CG1 4.4Å; L97-V149 HydrophobicContact CD1-CB 4.49Å; L97-V149 HydrophobicContact CD1-CG1 4.08Å; L97-V149 HydrophobicContact CD1-CG2 3.56Å |
| 98 | R | 96.5 | Very high | 95.3 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 157 | -178.4 | 64.9 | -178.9 | 90 | -169.4 | 14.4 | 109.8 | I71 F100 Y116 F120 | I71-R98 HydrophobicContact CG1-CB 4.19Å; R98-F100 PolarHBondContact O-N 2.81Å; R98-Y116 WeakPolarHBondContact O-CE2 3.48Å; R98-Y116 PolarHBondContact O-OH 2.96Å; R98-F120 HydrophobicContact CG-CD1 4.38Å; R98-F120 HydrophobicContact CG-CE1 4.02Å; R98-F120 HydrophobicContact CG-CZ 4.11Å |
| 99 | Y | 97.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 51.9 | 17.9 | -179.2 | -66.3 | -84.4 | 0 | 0 | 0 | 114.7 | E43 Q101 H102 F120 S235 L273 | E43-Y99 HydrophobicContact CB-CE1 4.43Å; Y99-Q101 PolarHBondContact O-N 3.49Å; Y99-H102 AromaticContact CD1-CE1 3.83Å; Y99-H102 PolarHBondContact O-N 3.18Å; Y99-F120 HydrophobicContact CD2-CE2 4.2Å; Y99-F120 AromaticContact CD2-CZ 3.65Å; Y99-F120 HydrophobicContact CD2-CZ 3.65Å; Y99-F120 HydrophobicContact CE2-CZ 4.38Å; Y99-F120 HydrophobicContact CG-CE2 4.4Å; Y99-F120 HydrophobicContact CG-CZ 4.27Å; Y99-S235 WeakPolarHBondContact OH-CB 3.39Å; Y99-L273 HydrophobicContact CD1-CD2 3.81Å; Y99-L273 HydrophobicContact CD2-CD1 4.34Å; Y99-L273 HydrophobicContact CD2-CD2 3.99Å; Y99-L273 HydrophobicContact CE1-CB 4.03Å; Y99-L273 HydrophobicContact CE1-CD2 3.83Å; Y99-L273 HydrophobicContact CE1-CG 4.37Å; Y99-L273 HydrophobicContact CE2-CD1 3.78Å; Y99-L273 HydrophobicContact CE2-CD2 4.03Å; Y99-L273 HydrophobicContact CE2-CG 4.34Å; Y99-L273 HydrophobicContact CG-CD2 3.89Å |
| 100 | F | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -67.1 | -16.1 | -178.6 | 58.2 | -94.2 | 0 | 0 | 0 | 112.1 | V70 L97 R98 H102 L103 F136 V149 L150 V153 | V70-F100 HydrophobicContact CG1-CE1 3.9Å; V70-F100 HydrophobicContact CG1-CZ 3.76Å; L97-F100 HydrophobicContact CB-CD1 4.42Å; R98-F100 PolarHBondContact O-N 2.81Å; F100-H102 PolarHBondContact O-N 2.97Å; F100-H102 VanDerWaalsContact O-N 3.15Å; F100-L103 WeakPolarHBondContact O-CB 3.2Å; F100-L103 PolarHBondContact O-N 2.91Å; F100-F136 HydrophobicContact CB-CE2 3.75Å; F100-F136 HydrophobicContact CB-CZ 3.51Å; F100-V149 HydrophobicContact CD1-CG1 3.83Å; F100-V149 HydrophobicContact CD2-CB 4.23Å; F100-V149 HydrophobicContact CD2-CG1 4.01Å; F100-V149 HydrophobicContact CE1-CG1 3.71Å; F100-V149 HydrophobicContact CE2-CB 4.27Å; F100-V149 HydrophobicContact CE2-CG1 3.9Å; F100-V149 HydrophobicContact CG-CG1 4Å; F100-V149 HydrophobicContact CZ-CG1 3.76Å; F100-L150 HydrophobicContact CE2-CB 3.97Å; F100-V153 HydrophobicContact CZ-CG2 3.99Å |
| 101 | Q | 96.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -55.3 | -27.9 | 172.9 | -54.3 | 94.1 | -53.6 | 0 | 0 | 112.1 | G41 S42 V70 Y99 L103 L104 | G41-Q101 PolarHBondContact O-NE2 2.97Å; S42-Q101 PolarHBondContact O-NE2 3.32Å; S42-Q101 VanDerWaalsContact O-NE2 3.12Å; V70-Q101 VanDerWaalsContact CG1-NE2 3.29Å; Y99-Q101 PolarHBondContact O-N 3.49Å; Q101-L103 PolarHBondContact O-N 3.49Å; Q101-L104 HydrophobicContact CB-CD1 4.1Å; Q101-L104 WeakPolarHBondContact O-CD1 3.45Å; Q101-L104 PolarHBondContact O-N 2.91Å |
| 102 | H | 95.1 | Very high | 95.8 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 12% | 0.116 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -69.1 | -11.9 | 175.5 | -58.3 | 158.3 | 0 | 0 | 0 | 114.2 | Y99 F100 | Y99-H102 AromaticContact CD1-CE1 3.83Å; Y99-H102 PolarHBondContact O-N 3.18Å; F100-H102 PolarHBondContact O-N 2.97Å; F100-H102 VanDerWaalsContact O-N 3.15Å |
| 103 | L | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -105.7 | -3.8 | -178.9 | -55 | 178.4 | 0 | 0 | 0 | 113.2 | F100 Q101 G105 K106 V113 Y116 V134 F136 P146 | F100-L103 WeakPolarHBondContact O-CB 3.2Å; F100-L103 PolarHBondContact O-N 2.91Å; Q101-L103 PolarHBondContact O-N 3.49Å; L103-G105 PolarHBondContact O-N 3.35Å; L103-K106 PolarHBondContact O-N 3.43Å; L103-K106 VanDerWaalsContact O-N 3.08Å; L103-V113 HydrophobicContact CD2-CB 4.41Å; L103-V113 HydrophobicContact CD2-CG2 4.1Å; L103-Y116 HydrophobicContact CD1-CD1 3.91Å; L103-Y116 HydrophobicContact CD1-CD2 3.9Å; L103-Y116 HydrophobicContact CD1-CE1 4.2Å; L103-Y116 HydrophobicContact CD1-CE2 4.19Å; L103-Y116 HydrophobicContact CD1-CG 3.77Å; L103-Y116 HydrophobicContact CD2-CD2 4.35Å; L103-Y116 HydrophobicContact CD2-CG 4.06Å; L103-Y116 HydrophobicContact CG-CD2 4.03Å; L103-Y116 HydrophobicContact CG-CG 4.11Å; L103-V134 HydrophobicContact CD1-CG1 4.16Å; L103-V134 HydrophobicContact CD2-CG2 4.48Å; L103-F136 HydrophobicContact CD1-CE1 4.14Å; L103-F136 HydrophobicContact CD1-CZ 3.7Å; L103-P146 HydrophobicContact CB-CB 4.22Å; L103-P146 HydrophobicContact CB-CG 3.69Å |
| 104 | L | 96.8 | Very high | 96 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 123.9 | 177.1 | -69.8 | 166.4 | 0 | 0 | 0 | 109.9 | Q101 K106 P146 E147 L150 F180 A187 V188 | Q101-L104 HydrophobicContact CB-CD1 4.1Å; Q101-L104 WeakPolarHBondContact O-CD1 3.45Å; Q101-L104 PolarHBondContact O-N 2.91Å; L104-K106 VanDerWaalsContact C-N 3.25Å; L104-K106 PolarHBondContact O-N 3.14Å; L104-P146 HydrophobicContact CD2-CB 4.01Å; L104-P146 HydrophobicContact CG-CB 4.46Å; L104-E147 HydrophobicContact CD2-CG 4.23Å; L104-L150 HydrophobicContact CD1-CD2 3.89Å; L104-L150 HydrophobicContact CD2-CB 4.37Å; L104-L150 HydrophobicContact CD2-CD2 3.97Å; L104-F180 HydrophobicContact CD1-CE2 4.29Å; L104-F180 HydrophobicContact CD1-CZ 4.44Å; L104-A187 HydrophobicContact CB-CB 4.04Å; L104-A187 HydrophobicContact CD2-CB 4.29Å; L104-V188 HydrophobicContact CD1-CG2 4.1Å |
| 105 | G | 93.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 21.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L103 L646 | L103-G105 PolarHBondContact O-N 3.35Å; G105-L646 VanDerWaalsContact CA-CD2 3.5Å |
| 106 | K | 94.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | trans | -102.1 | 135.7 | 178.9 | -58.1 | -52.4 | -178.4 | -174.6 | 0 | 113 | L103 L104 N110 V113 T133 E184 V510 | L103-K106 PolarHBondContact O-N 3.43Å; L103-K106 VanDerWaalsContact O-N 3.08Å; L104-K106 VanDerWaalsContact C-N 3.25Å; L104-K106 PolarHBondContact O-N 3.14Å; K106-N110 HydrophobicContact CB-CB 4.33Å; K106-N110 HydrophobicContact CD-CB 4.5Å; K106-V113 HydrophobicContact CB-CG2 4.08Å; K106-T133 WeakPolarHBondContact O-CA 3.07Å; K106-E184 WeakPolarHBondContact CE-OE1 3.38Å; K106-E184 IonicContact NZ-OE1 3.35Å; K106-E184 PolarHBondContact NZ-OE1 3.09Å; K106-V510 PolarHBondContact NZ-O 3.35Å | ||
| 107 | Q | 94.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 31% | 0.308 | 16% | 0.162 | S | C | . | . | B | Isolated β-bridge | trans | -90.8 | 161.5 | 172.8 | -64 | -175.6 | -54.8 | 0 | 0 | 111.5 | D109 N110 V113 R131 Q132 L646 | Q107-D109 PolarHBondContact O-N 2.72Å; Q107-D109 VanDerWaalsContact O-N 3.12Å; Q107-N110 VanDerWaalsContact O-CB 3.27Å; Q107-N110 WeakPolarHBondContact O-CB 3.45Å; Q107-N110 PolarHBondContact O-N 3.2Å; Q107-V113 WeakPolarHBondContact O-CG2 3.49Å; Q107-R131 PolarHBondContact NE2-O 3.12Å; Q107-Q132 CarbonylContact C-O 3.53Å; Q107-Q132 VanDerWaalsContact CA-O 3.26Å; Q107-Q132 WeakPolarHBondContact CA-O 3.47Å; Q107-L646 HydrophobicContact CG-CD1 4.09Å |
| 108 | A | 94.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116 | F127 Q132 | A108-F127 HydrophobicContact CB-CD1 3.43Å; A108-F127 VanDerWaalsContact CB-CD1 3.43Å; A108-F127 HydrophobicContact CB-CD2 4.19Å; A108-F127 HydrophobicContact CB-CE1 3.44Å; A108-F127 VanDerWaalsContact CB-CE1 3.44Å; A108-F127 HydrophobicContact CB-CE2 4.2Å; A108-F127 HydrophobicContact CB-CG 3.83Å; A108-F127 HydrophobicContact CB-CZ 3.84Å; A108-Q132 PolarHBondContact N-O 3.28Å |
| 109 | D | 94.2 | Very high | 96.5 | Very high | 137 Ų | 137 | 31.3 Ų | 31.3 | 73% | 0.733 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.9 | -178.1 | 66.5 | -31.4 | 0 | 0 | 0 | 113.9 | Q107 | Q107-D109 PolarHBondContact O-N 2.72Å; Q107-D109 VanDerWaalsContact O-N 3.12Å |
| 110 | N | 96.5 | Very high | 96.4 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -69.6 | 133.4 | -175.9 | -169.9 | -80.2 | 0 | 0 | 0 | 111.6 | K106 Q107 H112 V113 R509 V510 | K106-N110 HydrophobicContact CB-CB 4.33Å; K106-N110 HydrophobicContact CD-CB 4.5Å; Q107-N110 VanDerWaalsContact O-CB 3.27Å; Q107-N110 WeakPolarHBondContact O-CB 3.45Å; Q107-N110 PolarHBondContact O-N 3.2Å; N110-H112 PolarHBondContact O-N 3.13Å; N110-H112 PolarHBondContact OD1-N 3.36Å; N110-H112 VanDerWaalsContact OD1-N 3.12Å; N110-V113 HydrophobicContact CB-CG2 4.28Å; N110-V113 WeakPolarHBondContact O-CB 3.43Å; N110-V113 PolarHBondContact O-N 2.89Å; N110-R509 PolarHBondContact ND2-O 3.49Å; N110-V510 PolarHBondContact ND2-O 2.87Å |
| 111 | P | 97.2 | Very high | 96.4 | Very high | 40 Ų | 40 | 34.9 Ų | 34.9 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.5 | -27 | -176.7 | -26.5 | 33.7 | 0 | 0 | 0 | 115 | V113 A114 L115 R509 V510 | P111-V113 VanDerWaalsContact C-N 3.3Å; P111-V113 PolarHBondContact O-N 3.11Å; P111-A114 PolarHBondContact O-N 2.94Å; P111-L115 WeakPolarHBondContact O-CB 3.48Å; P111-L115 PolarHBondContact O-N 3.21Å; P111-R509 HydrophobicContact CG-CB 3.75Å; P111-V510 HydrophobicContact CB-CG2 4.04Å; P111-V510 HydrophobicContact CG-CG2 4.25Å |
| 112 | H | 96.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.5 | -22.9 | 176.3 | -87.4 | -143.7 | 0 | 0 | 0 | 113.9 | N110 Y116 V510 | N110-H112 PolarHBondContact O-N 3.13Å; N110-H112 PolarHBondContact OD1-N 3.36Å; N110-H112 VanDerWaalsContact OD1-N 3.12Å; H112-Y116 WeakPolarHBondContact O-CB 3.46Å; H112-Y116 PolarHBondContact O-N 3.21Å; H112-V510 VanDerWaalsContact CD2-CG2 3.42Å; H112-V510 WeakPolarHBondContact CD2-CG2 3.45Å |
| 113 | V | 97.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70 | -48.5 | 173 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | L103 K106 Q107 N110 P111 L115 Y116 Q117 L125 F127 V134 | L103-V113 HydrophobicContact CD2-CB 4.41Å; L103-V113 HydrophobicContact CD2-CG2 4.1Å; K106-V113 HydrophobicContact CB-CG2 4.08Å; Q107-V113 WeakPolarHBondContact O-CG2 3.49Å; N110-V113 HydrophobicContact CB-CG2 4.28Å; N110-V113 WeakPolarHBondContact O-CB 3.43Å; N110-V113 PolarHBondContact O-N 2.89Å; P111-V113 VanDerWaalsContact C-N 3.3Å; P111-V113 PolarHBondContact O-N 3.11Å; V113-L115 PolarHBondContact O-N 3.32Å; V113-Y116 PolarHBondContact O-N 3.06Å; V113-Q117 PolarHBondContact O-N 3.21Å; V113-L125 HydrophobicContact CG1-CD1 4.12Å; V113-F127 HydrophobicContact CG1-CE1 4.21Å; V113-V134 HydrophobicContact CB-CG2 4.42Å; V113-V134 HydrophobicContact CG1-CG2 3.85Å; V113-V134 HydrophobicContact CG2-CG2 3.65Å |
| 114 | A | 97.7 | Very high | 96.3 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 57% | 0.57 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.3 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | P111 Y116 Q117 A118 | P111-A114 PolarHBondContact O-N 2.94Å; A114-Y116 PolarHBondContact O-N 3.39Å; A114-Q117 PolarHBondContact O-N 2.66Å; A114-A118 WeakPolarHBondContact O-CB 3.32Å; A114-A118 PolarHBondContact O-N 2.97Å |
| 115 | L | 97.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 29% | 0.288 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 175.5 | -178.7 | 59.7 | 0 | 0 | 0 | 112.3 | P111 V113 A118 R119 T269 | P111-L115 WeakPolarHBondContact O-CB 3.48Å; P111-L115 PolarHBondContact O-N 3.21Å; V113-L115 PolarHBondContact O-N 3.32Å; L115-A118 PolarHBondContact O-N 3Å; L115-R119 HydrophobicContact CD1-CG 4.45Å; L115-R119 VanDerWaalsContact O-CG 3.23Å; L115-R119 WeakPolarHBondContact O-CG 3.24Å; L115-R119 PolarHBondContact O-N 3.19Å; L115-R119 VanDerWaalsContact O-N 3.13Å; L115-T269 HydrophobicContact CD2-CG2 3.71Å |
| 116 | Y | 98.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 173.8 | -175.7 | -82.3 | 0 | 0 | 0 | 111.4 | R98 L103 H112 V113 A114 A118 R119 F120 H123 L125 F136 | R98-Y116 WeakPolarHBondContact O-CE2 3.48Å; R98-Y116 PolarHBondContact O-OH 2.96Å; L103-Y116 HydrophobicContact CD1-CD1 3.91Å; L103-Y116 HydrophobicContact CD1-CD2 3.9Å; L103-Y116 HydrophobicContact CD1-CE1 4.2Å; L103-Y116 HydrophobicContact CD1-CE2 4.19Å; L103-Y116 HydrophobicContact CD1-CG 3.77Å; L103-Y116 HydrophobicContact CD2-CD2 4.35Å; L103-Y116 HydrophobicContact CD2-CG 4.06Å; L103-Y116 HydrophobicContact CG-CD2 4.03Å; L103-Y116 HydrophobicContact CG-CG 4.11Å; H112-Y116 WeakPolarHBondContact O-CB 3.46Å; H112-Y116 PolarHBondContact O-N 3.21Å; V113-Y116 PolarHBondContact O-N 3.06Å; A114-Y116 PolarHBondContact O-N 3.39Å; Y116-A118 VanDerWaalsContact C-N 3.27Å; Y116-A118 PolarHBondContact O-N 2.94Å; Y116-R119 PolarHBondContact O-N 3.32Å; Y116-R119 VanDerWaalsContact O-N 3.09Å; Y116-F120 HydrophobicContact CD1-CD2 4.37Å; Y116-F120 HydrophobicContact CD2-CD2 4Å; Y116-F120 HydrophobicContact CD2-CE2 4.35Å; Y116-F120 HydrophobicContact CE1-CB 4.18Å; Y116-F120 HydrophobicContact CE1-CD2 4.06Å; Y116-F120 AromaticContact CE2-CD2 3.67Å; Y116-F120 HydrophobicContact CE2-CD2 3.67Å; Y116-F120 HydrophobicContact CE2-CE2 4.03Å; Y116-F120 HydrophobicContact CG-CD2 4.32Å; Y116-F120 AromaticContact CZ-CD2 3.68Å; Y116-F120 PolarHBondContact O-N 3.08Å; Y116-H123 HydrophobicContact CE1-CB 4.48Å; Y116-H123 AromaticContact CE1-ND1 3.61Å; Y116-H123 AromaticContact CZ-ND1 3.71Å; Y116-H123 PolarHBondContact OH-CE1 3.35Å; Y116-H123 PolarHBondContact OH-ND1 2.92Å; Y116-L125 HydrophobicContact CD1-CD1 4.32Å; Y116-F136 AromaticContact CE1-CE1 3.76Å; Y116-F136 HydrophobicContact CE1-CE1 3.76Å; Y116-F136 HydrophobicContact CE1-CZ 4.41Å; Y116-F136 AromaticContact CZ-CE1 3.83Å |
| 117 | Q | 97.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 179.3 | -169.9 | 69.2 | 72.9 | 0 | 0 | 112.2 | V113 A114 F120 P121 H123 L125 | V113-Q117 PolarHBondContact O-N 3.21Å; A114-Q117 PolarHBondContact O-N 2.66Å; Q117-F120 CarbonylContact O-C 3.56Å; Q117-P121 VanDerWaalsContact O-CA 3.28Å; Q117-P121 WeakPolarHBondContact O-CA 3.45Å; Q117-P121 VanDerWaalsContact O-N 3.16Å; Q117-H123 PolarHBondContact NE2-O 3.12Å; Q117-L125 VanDerWaalsContact OE1-CG 3.3Å |
| 118 | A | 97.4 | Very high | 96.4 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 61% | 0.612 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -70 | -33.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A114 L115 Y116 | A114-A118 WeakPolarHBondContact O-CB 3.32Å; A114-A118 PolarHBondContact O-N 2.97Å; L115-A118 PolarHBondContact O-N 3Å; Y116-A118 VanDerWaalsContact C-N 3.27Å; Y116-A118 PolarHBondContact O-N 2.94Å |
| 119 | R | 97.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.06 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.8 | -38.6 | 177.7 | -70 | 173.7 | 162.8 | 163.8 | -10.2 | 112.2 | L115 Y116 E274 L277 R280 | L115-R119 HydrophobicContact CD1-CG 4.45Å; L115-R119 VanDerWaalsContact O-CG 3.23Å; L115-R119 WeakPolarHBondContact O-CG 3.24Å; L115-R119 PolarHBondContact O-N 3.19Å; L115-R119 VanDerWaalsContact O-N 3.13Å; Y116-R119 PolarHBondContact O-N 3.32Å; Y116-R119 VanDerWaalsContact O-N 3.09Å; R119-E274 IonicContact CZ-OE2 3.78Å; R119-E274 VanDerWaalsContact CZ-OE2 3.29Å; R119-E274 IonicContact NE-OE2 3.12Å; R119-E274 PolarHBondContact NE-OE2 3.06Å; R119-E274 VanDerWaalsContact NE-OE2 3.08Å; R119-E274 IonicContact NH2-OE2 3.51Å; R119-E274 PolarHBondContact NH2-OE2 3.28Å; R119-L277 HydrophobicContact CB-CD1 4.14Å; R119-L277 HydrophobicContact CG-CD1 3.62Å; R119-R280 PolarHBondContact O-NH1 3.04Å; R119-R280 PolarHBondContact O-NH2 3.3Å |
| 120 | F | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | trans | -127.4 | 65.4 | -176.2 | -51.4 | -67 | 0 | 0 | 0 | 112.3 | R98 Y99 Y116 Q117 E122 H123 L273 L310 | R98-F120 HydrophobicContact CG-CD1 4.38Å; R98-F120 HydrophobicContact CG-CE1 4.02Å; R98-F120 HydrophobicContact CG-CZ 4.11Å; Y99-F120 HydrophobicContact CD2-CE2 4.2Å; Y99-F120 AromaticContact CD2-CZ 3.65Å; Y99-F120 HydrophobicContact CD2-CZ 3.65Å; Y99-F120 HydrophobicContact CE2-CZ 4.38Å; Y99-F120 HydrophobicContact CG-CE2 4.4Å; Y99-F120 HydrophobicContact CG-CZ 4.27Å; Y116-F120 HydrophobicContact CD1-CD2 4.37Å; Y116-F120 HydrophobicContact CD2-CD2 4Å; Y116-F120 HydrophobicContact CD2-CE2 4.35Å; Y116-F120 HydrophobicContact CE1-CB 4.18Å; Y116-F120 HydrophobicContact CE1-CD2 4.06Å; Y116-F120 AromaticContact CE2-CD2 3.67Å; Y116-F120 HydrophobicContact CE2-CD2 3.67Å; Y116-F120 HydrophobicContact CE2-CE2 4.03Å; Y116-F120 HydrophobicContact CG-CD2 4.32Å; Y116-F120 AromaticContact CZ-CD2 3.68Å; Y116-F120 PolarHBondContact O-N 3.08Å; Q117-F120 CarbonylContact O-C 3.56Å; F120-E122 VanDerWaalsContact CA-OE2 3.24Å; F120-E122 WeakPolarHBondContact CA-OE2 3.37Å; F120-E122 PolarHBondContact O-N 3.27Å; F120-E122 VanDerWaalsContact O-N 3.09Å; F120-H123 PolarHBondContact O-N 3.07Å; F120-L273 HydrophobicContact CE2-CD2 4.45Å; F120-L273 HydrophobicContact CZ-CD1 4.16Å; F120-L273 HydrophobicContact CZ-CD2 4.11Å; F120-L310 HydrophobicContact CE1-CD2 4.42Å | ||
| 121 | P | 96.1 | Very high | 95.6 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 57% | 0.565 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -9.2 | -177.6 | 29.7 | -37.3 | 0 | 0 | 0 | 114.1 | Q117 H123 | Q117-P121 VanDerWaalsContact O-CA 3.28Å; Q117-P121 WeakPolarHBondContact O-CA 3.45Å; Q117-P121 VanDerWaalsContact O-N 3.16Å; P121-H123 VanDerWaalsContact C-N 3.31Å |
| 122 | E | 94.9 | Very high | 95.4 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.3 | 173.2 | 65.7 | -95 | -132.1 | 0 | 0 | 114.4 | P93 K94 F120 P303 | P93-E122 HydrophobicContact CB-CG 4.34Å; K94-E122 HydrophobicContact CG-CB 4.39Å; K94-E122 WeakPolarHBondContact CG-O 3.47Å; F120-E122 VanDerWaalsContact CA-OE2 3.24Å; F120-E122 WeakPolarHBondContact CA-OE2 3.37Å; F120-E122 PolarHBondContact O-N 3.27Å; F120-E122 VanDerWaalsContact O-N 3.09Å; E122-P303 HydrophobicContact CB-CB 4.07Å; E122-P303 HydrophobicContact CB-CG 4.33Å |
| 123 | H | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -88.2 | 135.1 | 178.2 | -63 | 154.8 | 0 | 0 | 0 | 111.5 | P93 K94 T96 Y116 Q117 F120 P121 | P93-H123 PolarHBondContact O-NE2 2.92Å; K94-H123 PolarHBondContact O-CD2 2.92Å; T96-H123 PolarHBondContact O-NE2 3.35Å; Y116-H123 HydrophobicContact CE1-CB 4.48Å; Y116-H123 AromaticContact CE1-ND1 3.61Å; Y116-H123 AromaticContact CZ-ND1 3.71Å; Y116-H123 PolarHBondContact OH-CE1 3.35Å; Y116-H123 PolarHBondContact OH-ND1 2.92Å; Q117-H123 PolarHBondContact NE2-O 3.12Å; F120-H123 PolarHBondContact O-N 3.07Å; P121-H123 VanDerWaalsContact C-N 3.31Å |
| 124 | E | 95.8 | Very high | 95.2 | Very high | 122 Ų | 122 | 50.5 Ų | 50.5 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.8 | 173.7 | -174.5 | 176.4 | 154.4 | 0 | 0 | 109.1 | Q137 | E124-Q137 HydrophobicContact CB-CB 4.06Å; E124-Q137 HydrophobicContact CG-CB 3.91Å; E124-Q137 PolarHBondContact O-N 3.06Å |
| 125 | L | 97 | Very high | 95.2 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.6 | -179.1 | -60.4 | -174.2 | 0 | 0 | 0 | 111.1 | V113 Y116 Q117 V134 H135 F136 | V113-L125 HydrophobicContact CG1-CD1 4.12Å; Y116-L125 HydrophobicContact CD1-CD1 4.32Å; Q117-L125 VanDerWaalsContact OE1-CG 3.3Å; L125-V134 HydrophobicContact CB-CG1 4.25Å; L125-V134 HydrophobicContact CD1-CG1 3.99Å; L125-V134 HydrophobicContact CD2-CG1 3.71Å; L125-V134 HydrophobicContact CG-CG1 4.2Å; L125-H135 WeakPolarHBondContact CA-O 3.32Å; L125-F136 HydrophobicContact CD2-CD1 3.45Å; L125-F136 VanDerWaalsContact CD2-CD1 3.45Å; L125-F136 HydrophobicContact CD2-CE1 3.7Å; L125-F136 HydrophobicContact CD2-CG 4.29Å |
| 126 | T | 96.2 | Very high | 95.1 | Very high | 40 Ų | 40 | 45.8 Ų | 45.8 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 178 | 169.1 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | H135 Q137 | T126-H135 PolarHBondContact N-O 3.08Å; T126-H135 PolarHBondContact O-N 2.92Å; T126-Q137 HydrophobicContact CG2-CB 4.24Å; T126-Q137 HydrophobicContact CG2-CG 4.4Å; T126-Q137 PolarHBondContact OG1-OE1 2.69Å |
| 127 | F | 95.7 | Very high | 95 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 37% | 0.368 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.6 | -173.9 | -54.8 | -74.6 | 0 | 0 | 0 | 111.7 | A108 V113 T133 V134 | A108-F127 HydrophobicContact CB-CD1 3.43Å; A108-F127 VanDerWaalsContact CB-CD1 3.43Å; A108-F127 HydrophobicContact CB-CD2 4.19Å; A108-F127 HydrophobicContact CB-CE1 3.44Å; A108-F127 VanDerWaalsContact CB-CE1 3.44Å; A108-F127 HydrophobicContact CB-CE2 4.2Å; A108-F127 HydrophobicContact CB-CG 3.83Å; A108-F127 HydrophobicContact CB-CZ 3.84Å; V113-F127 HydrophobicContact CG1-CE1 4.21Å; F127-T133 CarbonylContact C-O 3.47Å; F127-T133 WeakPolarHBondContact CA-O 3.35Å; F127-V134 HydrophobicContact CD1-CG2 4.49Å; F127-V134 HydrophobicContact CE1-CG2 4.16Å |
| 128 | D | 93.1 | Very high | 94.7 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | trans | -64.2 | 129.2 | 174.1 | -179.1 | -91 | 0 | 0 | 0 | 110.7 | Q130 R131 Q132 T133 H135 | D128-Q130 PolarHBondContact O-N 3.11Å; D128-Q130 VanDerWaalsContact O-N 3.16Å; D128-Q130 WeakPolarHBondContact OD1-CA 3.44Å; D128-Q130 PolarHBondContact OD1-N 3.33Å; D128-R131 HydrophobicContact CB-CB 4.29Å; D128-R131 PolarHBondContact OD1-N 3.39Å; D128-Q132 WeakPolarHBondContact O-CA 3.45Å; D128-Q132 PolarHBondContact O-N 2.87Å; D128-Q132 PolarHBondContact O-NE2 2.93Å; D128-T133 PolarHBondContact N-O 2.73Å; D128-H135 IonicContact OD2-CE1 3.81Å | ||
| 129 | P | 88.6 | Confident | 94.3 | Very high | 107 Ų | 107 | 44.8 Ų | 44.8 | 70% | 0.695 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.2 | -173.3 | 25.7 | -35.4 | 0 | 0 | 0 | 114.4 | Q132 | P129-Q132 PolarHBondContact O-NE2 3.18Å; P129-Q132 VanDerWaalsContact O-NE2 3.12Å |
| 130 | Q | 87.9 | Confident | 93.7 | Very high | 151 Ų | 151 | 49.8 Ų | 49.8 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -48.1 | -178.7 | -62.2 | -176 | -0.9 | 0 | 0 | 112.3 | D128 | D128-Q130 PolarHBondContact O-N 3.11Å; D128-Q130 VanDerWaalsContact O-N 3.16Å; D128-Q130 WeakPolarHBondContact OD1-CA 3.44Å; D128-Q130 PolarHBondContact OD1-N 3.33Å |
| 131 | R | 91 | Very high | 93.1 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -19.1 | -178.5 | -62.2 | 178.6 | 74.2 | -134.8 | 16 | 113 | Q107 D128 T133 E147 L646 P647 | Q107-R131 PolarHBondContact NE2-O 3.12Å; D128-R131 HydrophobicContact CB-CB 4.29Å; D128-R131 PolarHBondContact OD1-N 3.39Å; R131-T133 HydrophobicContact CB-CG2 3.96Å; R131-T133 WeakPolarHBondContact CB-OG1 3.48Å; R131-T133 PolarHBondContact NH1-OG1 3.44Å; R131-T133 VanDerWaalsContact NH1-OG1 3.11Å; R131-T133 PolarHBondContact O-N 3.11Å; R131-T133 VanDerWaalsContact O-N 3.15Å; R131-E147 IonicContact CZ-OE1 2.68Å; R131-E147 IonicContact NH1-OE1 2.67Å; R131-E147 PolarHBondContact NH1-OE1 3.11Å; R131-E147 IonicContact NH2-OE1 2.65Å; R131-E147 PolarHBondContact NH2-OE1 2.83Å; R131-E147 VanDerWaalsContact NH2-OE1 3.12Å; R131-L646 HydrophobicContact CB-CD1 4.44Å; R131-P647 PolarHBondContact NE-O 3.15Å |
| 132 | Q | 93.4 | Very high | 92.7 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | trans | 56.4 | 19.5 | -169.9 | -59.9 | -64.9 | -55.1 | 0 | 0 | 113.7 | Q107 A108 D128 P129 | Q107-Q132 CarbonylContact C-O 3.53Å; Q107-Q132 VanDerWaalsContact CA-O 3.26Å; Q107-Q132 WeakPolarHBondContact CA-O 3.47Å; A108-Q132 PolarHBondContact N-O 3.28Å; D128-Q132 WeakPolarHBondContact O-CA 3.45Å; D128-Q132 PolarHBondContact O-N 2.87Å; D128-Q132 PolarHBondContact O-NE2 2.93Å; P129-Q132 PolarHBondContact O-NE2 3.18Å; P129-Q132 VanDerWaalsContact O-NE2 3.12Å | ||
| 133 | T | 94.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 149.6 | 178 | 47.4 | 0 | 0 | 0 | 0 | 112 | K106 F127 D128 R131 L646 | K106-T133 WeakPolarHBondContact O-CA 3.07Å; F127-T133 CarbonylContact C-O 3.47Å; F127-T133 WeakPolarHBondContact CA-O 3.35Å; D128-T133 PolarHBondContact N-O 2.73Å; R131-T133 HydrophobicContact CB-CG2 3.96Å; R131-T133 WeakPolarHBondContact CB-OG1 3.48Å; R131-T133 PolarHBondContact NH1-OG1 3.44Å; R131-T133 VanDerWaalsContact NH1-OG1 3.11Å; R131-T133 PolarHBondContact O-N 3.11Å; R131-T133 VanDerWaalsContact O-N 3.15Å; T133-L646 HydrophobicContact CG2-CD1 3.61Å; T133-L646 HydrophobicContact CG2-CD2 3.98Å; T133-L646 HydrophobicContact CG2-CG 4.41Å |
| 134 | V | 96.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 138.2 | 179.4 | -171 | 0 | 0 | 0 | 0 | 112.2 | L103 V113 L125 F127 P146 | L103-V134 HydrophobicContact CD1-CG1 4.16Å; L103-V134 HydrophobicContact CD2-CG2 4.48Å; V113-V134 HydrophobicContact CB-CG2 4.42Å; V113-V134 HydrophobicContact CG1-CG2 3.85Å; V113-V134 HydrophobicContact CG2-CG2 3.65Å; L125-V134 HydrophobicContact CB-CG1 4.25Å; L125-V134 HydrophobicContact CD1-CG1 3.99Å; L125-V134 HydrophobicContact CD2-CG1 3.71Å; L125-V134 HydrophobicContact CG-CG1 4.2Å; F127-V134 HydrophobicContact CD1-CG2 4.49Å; F127-V134 HydrophobicContact CE1-CG2 4.16Å; V134-P146 HydrophobicContact CB-CG 4.38Å; V134-P146 WeakPolarHBondContact O-CD 3.24Å |
| 135 | H | 96.6 | Very high | 92.7 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 11% | 0.111 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.7 | 159.1 | -69.4 | 167.9 | 0 | 0 | 0 | 109.8 | L125 T126 D128 Q143 F144 | L125-H135 WeakPolarHBondContact CA-O 3.32Å; T126-H135 PolarHBondContact N-O 3.08Å; T126-H135 PolarHBondContact O-N 2.92Å; D128-H135 IonicContact OD2-CE1 3.81Å; H135-Q143 HydrophobicContact CB-CB 4.4Å; H135-Q143 PolarHBondContact ND1-OE1 2.75Å; H135-F144 CarbonylContact C-O 3.54Å; H135-F144 WeakPolarHBondContact CA-O 3.24Å |
| 136 | F | 96.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.3 | 167.6 | -63 | -78.6 | 0 | 0 | 0 | 109.8 | L97 F100 L103 Y116 L125 I138 Q143 F144 P146 V149 | L97-F136 HydrophobicContact CD1-CB 3.99Å; L97-F136 HydrophobicContact CD1-CD1 4.3Å; L97-F136 HydrophobicContact CD1-CD2 3.69Å; L97-F136 HydrophobicContact CD1-CE2 4.2Å; L97-F136 HydrophobicContact CD1-CG 3.74Å; L97-F136 HydrophobicContact CD2-CB 4.12Å; L97-F136 HydrophobicContact CD2-CD1 3.51Å; L97-F136 HydrophobicContact CD2-CD2 4.42Å; L97-F136 HydrophobicContact CD2-CE1 3.93Å; L97-F136 HydrophobicContact CD2-CG 3.77Å; L97-F136 HydrophobicContact CG-CG 4.4Å; F100-F136 HydrophobicContact CB-CE2 3.75Å; F100-F136 HydrophobicContact CB-CZ 3.51Å; L103-F136 HydrophobicContact CD1-CE1 4.14Å; L103-F136 HydrophobicContact CD1-CZ 3.7Å; Y116-F136 AromaticContact CE1-CE1 3.76Å; Y116-F136 HydrophobicContact CE1-CE1 3.76Å; Y116-F136 HydrophobicContact CE1-CZ 4.41Å; Y116-F136 AromaticContact CZ-CE1 3.83Å; L125-F136 HydrophobicContact CD2-CD1 3.45Å; L125-F136 VanDerWaalsContact CD2-CD1 3.45Å; L125-F136 HydrophobicContact CD2-CE1 3.7Å; L125-F136 HydrophobicContact CD2-CG 4.29Å; F136-I138 HydrophobicContact CB-CD1 4.29Å; F136-Q143 CarbonylContact O-C 3.52Å; F136-Q143 VanDerWaalsContact O-CA 3.22Å; F136-Q143 WeakPolarHBondContact O-CA 3.32Å; F136-F144 PolarHBondContact N-O 3.47Å; F136-F144 PolarHBondContact O-N 2.92Å; F136-P146 HydrophobicContact CE2-CG 4.08Å; F136-V149 HydrophobicContact CD2-CG2 4.17Å; F136-V149 HydrophobicContact CE2-CG2 4.46Å |
| 137 | Q | 95.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 51 Ų | 51 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.1 | 174.1 | -157.9 | 70.2 | 45.6 | 0 | 0 | 109.4 | E124 T126 S139 | E124-Q137 HydrophobicContact CB-CB 4.06Å; E124-Q137 HydrophobicContact CG-CB 3.91Å; E124-Q137 PolarHBondContact O-N 3.06Å; T126-Q137 HydrophobicContact CG2-CB 4.24Å; T126-Q137 HydrophobicContact CG2-CG 4.4Å; T126-Q137 PolarHBondContact OG1-OE1 2.69Å; Q137-S139 PolarHBondContact NE2-O 3.09Å |
| 138 | I | 92.4 | Very high | 92.9 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -35.6 | -177 | -55.9 | -60.4 | 0 | 0 | 0 | 111.1 | L74 A95 L97 F136 L142 F144 | L74-I138 HydrophobicContact CB-CG2 3.95Å; L74-I138 HydrophobicContact CD1-CD1 4.1Å; L74-I138 HydrophobicContact CD1-CG1 3.89Å; A95-I138 HydrophobicContact CB-CG2 4.22Å; L97-I138 HydrophobicContact CD1-CD1 4.27Å; L97-I138 HydrophobicContact CD2-CD1 4.15Å; L97-I138 HydrophobicContact CG-CD1 4.36Å; F136-I138 HydrophobicContact CB-CD1 4.29Å; I138-L142 HydrophobicContact CB-CB 4.16Å; I138-L142 PolarHBondContact N-O 3.12Å; I138-F144 HydrophobicContact CG1-CD2 3.87Å; I138-F144 HydrophobicContact CG1-CE2 4.28Å |
| 139 | S | 87.6 | Confident | 93.2 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 175.5 | 170.1 | 80.2 | 0 | 0 | 0 | 0 | 109.5 | Q137 Q141 L142 | Q137-S139 PolarHBondContact NE2-O 3.09Å; S139-Q141 PolarHBondContact O-N 3.33Å; S139-Q141 PolarHBondContact OG-N 3.32Å; S139-L142 PolarHBondContact N-O 2.96Å; S139-L142 VanDerWaalsContact N-O 3.17Å; S139-L142 PolarHBondContact O-N 3.16Å; S139-L142 WeakPolarHBondContact OG-CB 3.45Å; S139-L142 PolarHBondContact OG-N 3.25Å; S139-L142 VanDerWaalsContact OG-N 3.16Å |
| 140 | S | 84.6 | Confident | 93.7 | Very high | 120 Ų | 120 | 40.6 Ų | 40.6 | 84% | 0.839 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12 | 174.6 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 141 | Q | 84.1 | Confident | 94.2 | Very high | 177 Ų | 177 | 33.4 Ų | 33.4 | 83% | 0.827 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117 | -13.5 | 178.7 | -63.7 | 176.1 | -5.9 | 0 | 0 | 113 | S139 | S139-Q141 PolarHBondContact O-N 3.33Å; S139-Q141 PolarHBondContact OG-N 3.32Å |
| 142 | L | 88.6 | Confident | 94.5 | Very high | 47 Ų | 47 | 32.9 Ų | 32.9 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 111.3 | -173.3 | -62.9 | 176.1 | 0 | 0 | 0 | 110.9 | N77 I138 S139 F144 | N77-L142 WeakPolarHBondContact OD1-CD1 3.4Å; I138-L142 HydrophobicContact CB-CB 4.16Å; I138-L142 PolarHBondContact N-O 3.12Å; S139-L142 PolarHBondContact N-O 2.96Å; S139-L142 VanDerWaalsContact N-O 3.17Å; S139-L142 PolarHBondContact O-N 3.16Å; S139-L142 WeakPolarHBondContact OG-CB 3.45Å; S139-L142 PolarHBondContact OG-N 3.25Å; S139-L142 VanDerWaalsContact OG-N 3.16Å; L142-F144 HydrophobicContact CB-CE2 4.11Å |
| 143 | Q | 93.8 | Very high | 94.8 | Very high | 88 Ų | 88 | 28.8 Ų | 28.8 | 41% | 0.411 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 147.7 | 166.8 | 60.6 | 178.4 | -28.7 | 0 | 0 | 109.4 | H135 F136 K660 | H135-Q143 HydrophobicContact CB-CB 4.4Å; H135-Q143 PolarHBondContact ND1-OE1 2.75Å; F136-Q143 CarbonylContact O-C 3.52Å; F136-Q143 VanDerWaalsContact O-CA 3.22Å; F136-Q143 WeakPolarHBondContact O-CA 3.32Å; Q143-K660 PolarHBondContact O-NZ 2.79Å |
| 144 | F | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 2% | 0.022 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 138.4 | 175.2 | -64.4 | -90 | 0 | 0 | 0 | 112.9 | L74 H135 F136 I138 L142 E148 V149 M152 K660 L661 L664 | L74-F144 HydrophobicContact CD1-CD2 3.71Å; L74-F144 HydrophobicContact CD1-CE2 3.75Å; L74-F144 HydrophobicContact CD1-CG 4.39Å; L74-F144 HydrophobicContact CD1-CZ 4.45Å; H135-F144 CarbonylContact C-O 3.54Å; H135-F144 WeakPolarHBondContact CA-O 3.24Å; F136-F144 PolarHBondContact N-O 3.47Å; F136-F144 PolarHBondContact O-N 2.92Å; I138-F144 HydrophobicContact CG1-CD2 3.87Å; I138-F144 HydrophobicContact CG1-CE2 4.28Å; L142-F144 HydrophobicContact CB-CE2 4.11Å; F144-E148 WeakPolarHBondContact CA-OE2 3.24Å; F144-E148 HydrophobicContact CD1-CB 4.45Å; F144-V149 HydrophobicContact CB-CG2 3.87Å; F144-M152 HydrophobicContact CD1-CE 3.25Å; F144-M152 HydrophobicContact CE1-CE 3.22Å; F144-M152 HydrophobicContact CG-CE 3.97Å; F144-M152 HydrophobicContact CZ-CE 3.94Å; F144-K660 HydrophobicContact CE1-CD 4.44Å; F144-L661 HydrophobicContact CE1-CD2 4.45Å; F144-L664 HydrophobicContact CE1-CD1 3.87Å; F144-L664 HydrophobicContact CZ-CD1 3.97Å |
| 145 | S | 97.2 | Very high | 95 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | trans | -80.4 | 157 | 173.4 | 94.9 | 0 | 0 | 0 | 0 | 112 | E147 E148 V149 | S145-E147 WeakPolarHBondContact CB-OE2 3.46Å; S145-E147 PolarHBondContact O-N 2.85Å; S145-E147 PolarHBondContact OG-N 2.82Å; S145-E147 PolarHBondContact OG-OE2 3.39Å; S145-E148 PolarHBondContact N-OE2 2.98Å; S145-E148 VanDerWaalsContact N-OE2 3.1Å; S145-E148 PolarHBondContact O-N 2.97Å; S145-E148 PolarHBondContact OG-N 3.25Å; S145-E148 VanDerWaalsContact OG-N 3.15Å; S145-V149 WeakPolarHBondContact O-CG2 3.44Å; S145-V149 PolarHBondContact O-N 3.33Å | ||
| 146 | P | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.1 | -35.5 | 170.8 | -27.7 | 34.8 | 0 | 0 | 0 | 113.5 | L103 L104 V134 F136 L150 | L103-P146 HydrophobicContact CB-CB 4.22Å; L103-P146 HydrophobicContact CB-CG 3.69Å; L104-P146 HydrophobicContact CD2-CB 4.01Å; L104-P146 HydrophobicContact CG-CB 4.46Å; V134-P146 HydrophobicContact CB-CG 4.38Å; V134-P146 WeakPolarHBondContact O-CD 3.24Å; F136-P146 HydrophobicContact CE2-CG 4.08Å; P146-L150 WeakPolarHBondContact O-CB 3.31Å; P146-L150 PolarHBondContact O-N 2.83Å |
| 147 | E | 98 | Very high | 95.1 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.7 | -40.8 | 174.7 | -51.4 | 95.7 | 142.8 | 0 | 0 | 112 | L104 R131 S145 L150 G151 A187 A191 M194 | L104-E147 HydrophobicContact CD2-CG 4.23Å; R131-E147 IonicContact CZ-OE1 2.68Å; R131-E147 IonicContact NH1-OE1 2.67Å; R131-E147 PolarHBondContact NH1-OE1 3.11Å; R131-E147 IonicContact NH2-OE1 2.65Å; R131-E147 PolarHBondContact NH2-OE1 2.83Å; R131-E147 VanDerWaalsContact NH2-OE1 3.12Å; S145-E147 WeakPolarHBondContact CB-OE2 3.46Å; S145-E147 PolarHBondContact O-N 2.85Å; S145-E147 PolarHBondContact OG-N 2.82Å; S145-E147 PolarHBondContact OG-OE2 3.39Å; E147-L150 PolarHBondContact O-N 2.96Å; E147-G151 PolarHBondContact O-N 3.36Å; E147-A187 HydrophobicContact CG-CB 3.85Å; E147-A191 HydrophobicContact CB-CB 4.48Å; E147-A191 WeakPolarHBondContact O-CB 3.46Å; E147-M194 HydrophobicContact CB-CE 4.4Å |
| 148 | E | 98 | Very high | 95.2 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 174.2 | -70.6 | -176.4 | 138.2 | 0 | 0 | 112.3 | F144 S145 L150 G151 M152 M194 S657 K660 L661 | F144-E148 WeakPolarHBondContact CA-OE2 3.24Å; F144-E148 HydrophobicContact CD1-CB 4.45Å; S145-E148 PolarHBondContact N-OE2 2.98Å; S145-E148 VanDerWaalsContact N-OE2 3.1Å; S145-E148 PolarHBondContact O-N 2.97Å; S145-E148 PolarHBondContact OG-N 3.25Å; S145-E148 VanDerWaalsContact OG-N 3.15Å; E148-L150 VanDerWaalsContact C-N 3.35Å; E148-G151 WeakPolarHBondContact O-CA 3.21Å; E148-G151 PolarHBondContact O-N 3.21Å; E148-G151 VanDerWaalsContact O-N 3.1Å; E148-M152 WeakPolarHBondContact O-CG 3.13Å; E148-M152 PolarHBondContact O-N 3.23Å; E148-M194 HydrophobicContact CB-SD 4.41Å; E148-M194 HydrophobicContact CG-CE 4.25Å; E148-M194 HydrophobicContact CG-SD 3.86Å; E148-S657 VanDerWaalsContact OE1-CB 3.23Å; E148-S657 WeakPolarHBondContact OE1-CB 3.5Å; E148-S657 PolarHBondContact OE1-OG 3.36Å; E148-K660 WeakPolarHBondContact OE1-CD 3.46Å; E148-K660 IonicContact OE1-NZ 2.78Å; E148-K660 PolarHBondContact OE1-NZ 3.39Å; E148-K660 IonicContact OE2-NZ 3.47Å; E148-K660 PolarHBondContact OE2-NZ 3.41Å; E148-L661 WeakPolarHBondContact O-CD1 3.47Å |
| 149 | V | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.8 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | V72 L97 F100 F136 F144 S145 G151 M152 V153 | V72-V149 HydrophobicContact CB-CG1 4.28Å; V72-V149 HydrophobicContact CG2-CG1 3.92Å; L97-V149 HydrophobicContact CB-CG1 4.4Å; L97-V149 HydrophobicContact CD1-CB 4.49Å; L97-V149 HydrophobicContact CD1-CG1 4.08Å; L97-V149 HydrophobicContact CD1-CG2 3.56Å; F100-V149 HydrophobicContact CD1-CG1 3.83Å; F100-V149 HydrophobicContact CD2-CB 4.23Å; F100-V149 HydrophobicContact CD2-CG1 4.01Å; F100-V149 HydrophobicContact CE1-CG1 3.71Å; F100-V149 HydrophobicContact CE2-CB 4.27Å; F100-V149 HydrophobicContact CE2-CG1 3.9Å; F100-V149 HydrophobicContact CG-CG1 4Å; F100-V149 HydrophobicContact CZ-CG1 3.76Å; F136-V149 HydrophobicContact CD2-CG2 4.17Å; F136-V149 HydrophobicContact CE2-CG2 4.46Å; F144-V149 HydrophobicContact CB-CG2 3.87Å; S145-V149 WeakPolarHBondContact O-CG2 3.44Å; S145-V149 PolarHBondContact O-N 3.33Å; V149-G151 VanDerWaalsContact C-N 3.32Å; V149-G151 PolarHBondContact O-N 3.13Å; V149-M152 WeakPolarHBondContact O-CB 3.37Å; V149-M152 PolarHBondContact O-N 2.8Å; V149-V153 PolarHBondContact O-N 3.33Å; V149-V153 VanDerWaalsContact O-N 3.16Å |
| 150 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 170.3 | -179.3 | 57 | 0 | 0 | 0 | 111.5 | L40 F100 L104 P146 E147 E148 M152 V153 L154 V188 A191 | L40-L150 HydrophobicContact CD1-CD1 3.73Å; L40-L150 HydrophobicContact CD2-CD1 3.77Å; L40-L150 HydrophobicContact CD2-CD2 4.23Å; L40-L150 HydrophobicContact CG-CD1 4.34Å; F100-L150 HydrophobicContact CE2-CB 3.97Å; L104-L150 HydrophobicContact CD1-CD2 3.89Å; L104-L150 HydrophobicContact CD2-CB 4.37Å; L104-L150 HydrophobicContact CD2-CD2 3.97Å; P146-L150 WeakPolarHBondContact O-CB 3.31Å; P146-L150 PolarHBondContact O-N 2.83Å; E147-L150 PolarHBondContact O-N 2.96Å; E148-L150 VanDerWaalsContact C-N 3.35Å; L150-M152 VanDerWaalsContact C-N 3.29Å; L150-M152 PolarHBondContact O-N 3.15Å; L150-V153 PolarHBondContact O-N 2.95Å; L150-V153 VanDerWaalsContact O-N 3.12Å; L150-L154 HydrophobicContact CD1-CD1 4.22Å; L150-L154 HydrophobicContact CD1-CG 3.99Å; L150-L154 HydrophobicContact CD2-CD1 4.48Å; L150-L154 HydrophobicContact CG-CD1 3.93Å; L150-L154 HydrophobicContact CG-CG 4.18Å; L150-L154 WeakPolarHBondContact O-CB 3.35Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 3.29Å; L150-V188 HydrophobicContact CD2-CB 4.45Å; L150-V188 HydrophobicContact CD2-CG1 4.39Å; L150-V188 HydrophobicContact CD2-CG2 4.12Å; L150-A191 HydrophobicContact CB-CB 3.69Å; L150-A191 HydrophobicContact CD2-CB 3.6Å; L150-A191 HydrophobicContact CG-CB 3.55Å |
| 151 | G | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.6 | -37 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | E147 E148 V149 N155 A191 | E147-G151 PolarHBondContact O-N 3.36Å; E148-G151 WeakPolarHBondContact O-CA 3.21Å; E148-G151 PolarHBondContact O-N 3.21Å; E148-G151 VanDerWaalsContact O-N 3.1Å; V149-G151 VanDerWaalsContact C-N 3.32Å; V149-G151 PolarHBondContact O-N 3.13Å; G151-N155 VanDerWaalsContact O-CB 3.29Å; G151-N155 WeakPolarHBondContact O-CB 3.44Å; G151-N155 PolarHBondContact O-N 2.81Å; G151-A191 WeakPolarHBondContact CA-O 3.47Å |
| 152 | M | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 171.6 | -55.7 | -173.5 | -159.4 | 0 | 0 | 112 | V72 L74 R79 F81 F144 E148 V149 L150 N155 Y156 L661 L664 | V72-M152 HydrophobicContact CG1-SD 4.11Å; L74-M152 HydrophobicContact CD1-CE 4.49Å; L74-M152 HydrophobicContact CD2-CE 4.29Å; L74-M152 HydrophobicContact CD2-SD 3.99Å; R79-M152 VanDerWaalsContact CD-SD 3.54Å; F81-M152 HydrophobicContact CE1-CB 3.72Å; F81-M152 HydrophobicContact CZ-CB 3.97Å; F144-M152 HydrophobicContact CD1-CE 3.25Å; F144-M152 HydrophobicContact CE1-CE 3.22Å; F144-M152 HydrophobicContact CG-CE 3.97Å; F144-M152 HydrophobicContact CZ-CE 3.94Å; E148-M152 WeakPolarHBondContact O-CG 3.13Å; E148-M152 PolarHBondContact O-N 3.23Å; V149-M152 WeakPolarHBondContact O-CB 3.37Å; V149-M152 PolarHBondContact O-N 2.8Å; L150-M152 VanDerWaalsContact C-N 3.29Å; L150-M152 PolarHBondContact O-N 3.15Å; M152-N155 PolarHBondContact O-N 3.05Å; M152-Y156 PolarHBondContact O-N 3.22Å; M152-L661 HydrophobicContact CE-CD2 3.66Å; M152-L661 HydrophobicContact CG-CD1 4.29Å; M152-L661 HydrophobicContact CG-CD2 3.77Å; M152-L661 HydrophobicContact SD-CD2 4.45Å; M152-L664 HydrophobicContact CE-CD1 4.4Å |
| 153 | V | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 178.9 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | M45 V70 V72 F100 V149 L150 Y156 S157 | M45-V153 HydrophobicContact CE-CG1 4.18Å; M45-V153 HydrophobicContact SD-CG1 3.44Å; M45-V153 WeakPolarHBondContact SD-CG1 3.47Å; V70-V153 HydrophobicContact CG1-CG1 4.18Å; V70-V153 HydrophobicContact CG1-CG2 4.33Å; V72-V153 HydrophobicContact CG2-CG2 3.45Å; V72-V153 VanDerWaalsContact CG2-CG2 3.45Å; F100-V153 HydrophobicContact CZ-CG2 3.99Å; V149-V153 PolarHBondContact O-N 3.33Å; V149-V153 VanDerWaalsContact O-N 3.16Å; L150-V153 PolarHBondContact O-N 2.95Å; L150-V153 VanDerWaalsContact O-N 3.12Å; V153-Y156 PolarHBondContact O-N 3.18Å; V153-S157 PolarHBondContact O-N 3.18Å; V153-S157 PolarHBondContact O-OG 3.46Å |
| 154 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 177 | -69.5 | 176.5 | 0 | 0 | 0 | 112.5 | V38 L150 S157 R158 I174 A191 A192 A195 L197 | V38-L154 HydrophobicContact CG1-CD2 4.4Å; V38-L154 HydrophobicContact CG2-CD2 4.3Å; L150-L154 HydrophobicContact CD1-CD1 4.22Å; L150-L154 HydrophobicContact CD1-CG 3.99Å; L150-L154 HydrophobicContact CD2-CD1 4.48Å; L150-L154 HydrophobicContact CG-CD1 3.93Å; L150-L154 HydrophobicContact CG-CG 4.18Å; L150-L154 WeakPolarHBondContact O-CB 3.35Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 3.29Å; L154-S157 WeakPolarHBondContact O-CB 3.38Å; L154-S157 PolarHBondContact O-N 3.42Å; L154-R158 PolarHBondContact O-N 3.08Å; L154-I174 HydrophobicContact CD1-CD1 3.99Å; L154-I174 HydrophobicContact CD2-CD1 3.91Å; L154-A191 HydrophobicContact CD1-CB 4.18Å; L154-A192 HydrophobicContact CD1-CB 4.02Å; L154-A195 HydrophobicContact CB-CB 3.84Å; L154-L197 HydrophobicContact CB-CD1 4.19Å |
| 155 | N | 97.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 12% | 0.118 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 171.3 | 177.4 | 71.8 | 0 | 0 | 0 | 111.7 | G151 M152 R158 S159 A195 | G151-N155 VanDerWaalsContact O-CB 3.29Å; G151-N155 WeakPolarHBondContact O-CB 3.44Å; G151-N155 PolarHBondContact O-N 2.81Å; M152-N155 PolarHBondContact O-N 3.05Å; N155-R158 WeakPolarHBondContact O-CB 3.44Å; N155-R158 PolarHBondContact O-N 2.85Å; N155-R158 PolarHBondContact OD1-NH2 2.87Å; N155-S159 PolarHBondContact O-N 3.16Å; N155-A195 HydrophobicContact CB-CB 4.16Å |
| 156 | Y | 97.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 8% | 0.078 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 174 | 178.2 | -119.3 | 0 | 0 | 0 | 111.9 | M45 T68 F81 M152 V153 R158 S159 L160 | M45-Y156 HydrophobicContact CE-CD1 3.85Å; M45-Y156 HydrophobicContact CE-CE1 4.26Å; T68-Y156 HydrophobicContact CG2-CE1 3.86Å; F81-Y156 HydrophobicContact CB-CD1 3.42Å; F81-Y156 VanDerWaalsContact CB-CD1 3.42Å; F81-Y156 HydrophobicContact CB-CD2 4.15Å; F81-Y156 HydrophobicContact CB-CE1 3.43Å; F81-Y156 VanDerWaalsContact CB-CE1 3.43Å; F81-Y156 HydrophobicContact CB-CE2 4.17Å; F81-Y156 HydrophobicContact CB-CG 3.79Å; F81-Y156 HydrophobicContact CD1-CD1 4.26Å; F81-Y156 HydrophobicContact CD1-CG 4.22Å; F81-Y156 HydrophobicContact CD2-CD2 4.02Å; F81-Y156 HydrophobicContact CD2-CG 4.02Å; F81-Y156 AromaticContact CG-CD1 3.83Å; F81-Y156 HydrophobicContact CG-CD1 3.83Å; F81-Y156 HydrophobicContact CG-CD2 4.14Å; F81-Y156 HydrophobicContact CG-CE1 4.3Å; F81-Y156 AromaticContact CG-CG 3.73Å; F81-Y156 HydrophobicContact CG-CG 3.73Å; M152-Y156 PolarHBondContact O-N 3.22Å; V153-Y156 PolarHBondContact O-N 3.18Å; Y156-R158 VanDerWaalsContact C-N 3.27Å; Y156-R158 PolarHBondContact O-N 3.26Å; Y156-S159 WeakPolarHBondContact CA-OG 3.26Å; Y156-S159 PolarHBondContact O-N 3.34Å; Y156-S159 VanDerWaalsContact O-N 3.09Å; Y156-S159 PolarHBondContact O-OG 2.81Å; Y156-L160 HydrophobicContact CD1-CD1 4.38Å; Y156-L160 HydrophobicContact CE1-CD1 3.88Å; Y156-L160 HydrophobicContact CE1-CG 4.39Å; Y156-L160 HydrophobicContact CE2-CD2 4.08Å; Y156-L160 HydrophobicContact CE2-CG 4.16Å; Y156-L160 PolarHBondContact O-N 3.43Å |
| 157 | S | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.4 | -41.9 | 171.3 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | M36 M45 V153 L154 A161 | M36-S157 WeakPolarHBondContact CE-O 3.37Å; M45-S157 VanDerWaalsContact CE-OG 3.23Å; M45-S157 WeakPolarHBondContact CE-OG 3.41Å; M45-S157 PolarHBondContact SD-OG 3.39Å; V153-S157 PolarHBondContact O-N 3.18Å; V153-S157 PolarHBondContact O-OG 3.46Å; L154-S157 WeakPolarHBondContact O-CB 3.38Å; L154-S157 PolarHBondContact O-N 3.42Å; S157-A161 PolarHBondContact O-N 3.09Å |
| 158 | R | 97.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 31.3 Ų | 31.3 | 18% | 0.177 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -51 | 173.4 | -173.8 | -172.7 | 55.5 | -153.4 | -11.4 | 110.4 | M36 L154 N155 Y156 L160 A161 E162 I169 A195 G196 L197 | M36-R158 HydrophobicContact SD-CB 4.35Å; M36-R158 HydrophobicContact SD-CG 4.45Å; L154-R158 PolarHBondContact O-N 3.08Å; N155-R158 WeakPolarHBondContact O-CB 3.44Å; N155-R158 PolarHBondContact O-N 2.85Å; N155-R158 PolarHBondContact OD1-NH2 2.87Å; Y156-R158 VanDerWaalsContact C-N 3.27Å; Y156-R158 PolarHBondContact O-N 3.26Å; R158-L160 VanDerWaalsContact C-N 3.31Å; R158-L160 PolarHBondContact O-N 3.19Å; R158-A161 CarbonylContact O-C 3.5Å; R158-A161 WeakPolarHBondContact O-CA 3.36Å; R158-A161 WeakPolarHBondContact O-CB 3.24Å; R158-A161 PolarHBondContact O-N 3.27Å; R158-E162 WeakPolarHBondContact CD-OE1 3.28Å; R158-E162 VanDerWaalsContact CG-CD 3.48Å; R158-E162 HydrophobicContact CG-CG 3.87Å; R158-E162 WeakPolarHBondContact CG-OE2 3.37Å; R158-E162 IonicContact NE-OE1 2.68Å; R158-E162 IonicContact NE-OE2 3.57Å; R158-E162 PolarHBondContact NE-OE2 3.42Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 3.36Å; R158-I169 WeakPolarHBondContact CD-O 3.42Å; R158-I169 HydrophobicContact CG-CB 4.29Å; R158-A195 VanDerWaalsContact CZ-O 3.27Å; R158-A195 PolarHBondContact NH1-O 2.98Å; R158-A195 PolarHBondContact NH2-O 3.36Å; R158-A195 VanDerWaalsContact NH2-O 3.13Å; R158-G196 PolarHBondContact NH1-O 3.36Å; R158-L197 HydrophobicContact CB-CD2 4.21Å; R158-L197 HydrophobicContact CG-CD2 4.07Å |
| 159 | S | 96.1 | Very high | 95.7 | Very high | 33 Ų | 33 | 31 Ų | 31 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.4 | -39.7 | -178.3 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | N155 Y156 A161 E162 D163 | N155-S159 PolarHBondContact O-N 3.16Å; Y156-S159 WeakPolarHBondContact CA-OG 3.26Å; Y156-S159 PolarHBondContact O-N 3.34Å; Y156-S159 VanDerWaalsContact O-N 3.09Å; Y156-S159 PolarHBondContact O-OG 2.81Å; S159-A161 VanDerWaalsContact C-N 3.33Å; S159-A161 PolarHBondContact O-N 2.68Å; S159-E162 PolarHBondContact O-N 3.34Å; S159-D163 WeakPolarHBondContact O-CB 3.49Å; S159-D163 VanDerWaalsContact O-CG 3.31Å; S159-D163 PolarHBondContact O-N 2.89Å |
| 160 | L | 96.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 173.1 | -67.1 | 179.4 | 0 | 0 | 0 | 112.1 | V59 N61 K62 Y156 R158 F164 | V59-L160 HydrophobicContact CG1-CB 3.99Å; V59-L160 VanDerWaalsContact CG1-O 3.31Å; V59-L160 WeakPolarHBondContact CG1-O 3.45Å; N61-L160 HydrophobicContact CB-CD1 4.11Å; K62-L160 HydrophobicContact CG-CD2 4.15Å; Y156-L160 HydrophobicContact CD1-CD1 4.38Å; Y156-L160 HydrophobicContact CE1-CD1 3.88Å; Y156-L160 HydrophobicContact CE1-CG 4.39Å; Y156-L160 HydrophobicContact CE2-CD2 4.08Å; Y156-L160 HydrophobicContact CE2-CG 4.16Å; Y156-L160 PolarHBondContact O-N 3.43Å; R158-L160 VanDerWaalsContact C-N 3.31Å; R158-L160 PolarHBondContact O-N 3.19Å; L160-F164 PolarHBondContact O-N 2.9Å |
| 161 | A | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.2 | -36.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M36 V47 I49 V59 S157 R158 S159 F164 A165 I169 | M36-A161 HydrophobicContact CB-CB 4.3Å; M36-A161 HydrophobicContact CE-CB 3.92Å; M36-A161 HydrophobicContact SD-CB 4.32Å; V47-A161 HydrophobicContact CG1-CB 3.91Å; I49-A161 HydrophobicContact CD1-CB 4.47Å; V59-A161 HydrophobicContact CG2-CB 4.37Å; S157-A161 PolarHBondContact O-N 3.09Å; R158-A161 CarbonylContact O-C 3.5Å; R158-A161 WeakPolarHBondContact O-CA 3.36Å; R158-A161 WeakPolarHBondContact O-CB 3.24Å; R158-A161 PolarHBondContact O-N 3.27Å; S159-A161 VanDerWaalsContact C-N 3.33Å; S159-A161 PolarHBondContact O-N 2.68Å; A161-F164 PolarHBondContact O-N 2.8Å; A161-A165 WeakPolarHBondContact O-CB 3.28Å; A161-A165 PolarHBondContact O-N 2.7Å; A161-I169 HydrophobicContact CB-CD1 3.48Å; A161-I169 VanDerWaalsContact CB-CD1 3.48Å |
| 162 | E | 95.1 | Very high | 95.4 | Very high | 49 Ų | 49 | 37.6 Ų | 37.6 | 23% | 0.229 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.3 | -42.6 | 176.3 | -71.1 | 177.9 | 137.3 | 0 | 0 | 111.5 | R158 S159 F164 A165 E166 P168 I169 | R158-E162 WeakPolarHBondContact CD-OE1 3.28Å; R158-E162 VanDerWaalsContact CG-CD 3.48Å; R158-E162 HydrophobicContact CG-CG 3.87Å; R158-E162 WeakPolarHBondContact CG-OE2 3.37Å; R158-E162 IonicContact NE-OE1 2.68Å; R158-E162 IonicContact NE-OE2 3.57Å; R158-E162 PolarHBondContact NE-OE2 3.42Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 3.36Å; S159-E162 PolarHBondContact O-N 3.34Å; E162-F164 VanDerWaalsContact C-N 3.33Å; E162-F164 PolarHBondContact O-N 3.37Å; E162-A165 PolarHBondContact O-N 2.69Å; E162-A165 VanDerWaalsContact O-N 3.16Å; E162-E166 PolarHBondContact O-N 3.34Å; E162-P168 VanDerWaalsContact OE1-CA 3.25Å; E162-P168 WeakPolarHBondContact OE1-CA 3.45Å; E162-I169 HydrophobicContact CG-CB 3.97Å; E162-I169 HydrophobicContact CG-CD1 4.25Å; E162-I169 HydrophobicContact CG-CG1 3.97Å; E162-I169 PolarHBondContact OE1-N 3.32Å |
| 163 | D | 93.4 | Very high | 95.4 | Very high | 104 Ų | 104 | 37.5 Ų | 37.5 | 56% | 0.556 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -57.5 | -43.9 | 172.6 | -76.7 | -20.3 | 0 | 0 | 0 | 110.9 | S159 | S159-D163 WeakPolarHBondContact O-CB 3.49Å; S159-D163 VanDerWaalsContact O-CG 3.31Å; S159-D163 PolarHBondContact O-N 2.89Å |
| 164 | F | 91.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 27% | 0.272 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -73.5 | -30.5 | 175.4 | -172.5 | -81.3 | 0 | 0 | 0 | 113 | I49 K51 E57 V59 L160 A161 E162 | I49-F164 HydrophobicContact CD1-CD1 4.37Å; I49-F164 HydrophobicContact CG2-CD1 3.6Å; I49-F164 HydrophobicContact CG2-CE1 3.61Å; K51-F164 PolarHBondContact NZ-O 3.47Å; E57-F164 HydrophobicContact CG-CZ 4.32Å; V59-F164 HydrophobicContact CG1-CB 4.07Å; V59-F164 HydrophobicContact CG1-CG 4.5Å; V59-F164 HydrophobicContact CG2-CB 4.27Å; V59-F164 HydrophobicContact CG2-CD1 4.38Å; V59-F164 HydrophobicContact CG2-CG 4.21Å; L160-F164 PolarHBondContact O-N 2.9Å; A161-F164 PolarHBondContact O-N 2.8Å; E162-F164 VanDerWaalsContact C-N 3.33Å; E162-F164 PolarHBondContact O-N 3.37Å |
| 165 | A | 91.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -79.9 | -26.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A34 I49 K51 A161 E162 Q167 I169 | A34-A165 HydrophobicContact CB-CB 4.27Å; I49-A165 HydrophobicContact CD1-CB 3.56Å; K51-A165 HydrophobicContact CD-CB 4.35Å; K51-A165 WeakPolarHBondContact CD-O 3.42Å; K51-A165 VanDerWaalsContact NZ-C 3.26Å; K51-A165 PolarHBondContact NZ-O 3.1Å; A161-A165 WeakPolarHBondContact O-CB 3.28Å; A161-A165 PolarHBondContact O-N 2.7Å; E162-A165 PolarHBondContact O-N 2.69Å; E162-A165 VanDerWaalsContact O-N 3.16Å; A165-Q167 HydrophobicContact CB-CG 3.87Å; A165-Q167 PolarHBondContact O-N 2.83Å; A165-Q167 PolarHBondContact O-NE2 3.18Å; A165-I169 HydrophobicContact CB-CD1 3.97Å; A165-I169 HydrophobicContact CB-CG1 4.39Å |
| 166 | E | 91.5 | Very high | 95.5 | Very high | 176 Ų | 176 | 36.6 Ų | 36.6 | 82% | 0.822 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 24.5 | -166.8 | -55.1 | 176.4 | 132.9 | 0 | 0 | 112.4 | E162 | E162-E166 PolarHBondContact O-N 3.34Š|
| 167 | Q | 90.3 | Very high | 95.4 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -153 | 156.7 | 177.9 | 76.5 | -160.4 | -107.8 | 0 | 0 | 110.9 | A34 A165 | A34-Q167 HydrophobicContact CB-CG 3.94Å; A165-Q167 HydrophobicContact CB-CG 3.87Å; A165-Q167 PolarHBondContact O-N 2.83Å; A165-Q167 PolarHBondContact O-NE2 3.18Å |
| 168 | P | 92.3 | Very high | 95.4 | Very high | 70 Ų | 70 | 37 Ų | 37 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | trans | -64.8 | 148.7 | 175.7 | -19.4 | 32.4 | 0 | 0 | 0 | 112.8 | T32 E162 | T32-P168 WeakPolarHBondContact CB-O 3.18Å; T32-P168 HydrophobicContact CG2-CB 4.13Å; T32-P168 WeakPolarHBondContact CG2-O 3.36Å; E162-P168 VanDerWaalsContact OE1-CA 3.25Å; E162-P168 WeakPolarHBondContact OE1-CA 3.45Å | ||
| 169 | I | 93.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -123.1 | 128.9 | 179.8 | -64 | 174.3 | 0 | 0 | 0 | 110.6 | A34 M36 I49 R158 A161 E162 A165 | A34-I169 HydrophobicContact CB-CD1 4.46Å; A34-I169 HydrophobicContact CB-CG1 4.19Å; M36-I169 HydrophobicContact CB-CG2 4.12Å; M36-I169 HydrophobicContact CG-CG2 3.74Å; M36-I169 HydrophobicContact SD-CG2 3.73Å; I49-I169 HydrophobicContact CD1-CD1 3.73Å; R158-I169 WeakPolarHBondContact CD-O 3.42Å; R158-I169 HydrophobicContact CG-CB 4.29Å; A161-I169 HydrophobicContact CB-CD1 3.48Å; A161-I169 VanDerWaalsContact CB-CD1 3.48Å; E162-I169 HydrophobicContact CG-CB 3.97Å; E162-I169 HydrophobicContact CG-CD1 4.25Å; E162-I169 HydrophobicContact CG-CG1 3.97Å; E162-I169 PolarHBondContact OE1-N 3.32Å; A165-I169 HydrophobicContact CB-CD1 3.97Å; A165-I169 HydrophobicContact CB-CG1 4.39Å | ||
| 170 | K | 93.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 34.3 Ų | 34.3 | 48% | 0.483 | 17% | 0.171 | S | C | . | . | trans | -115.8 | -37.8 | -178.3 | -63.9 | 170.4 | -174.7 | 156.9 | 0 | 112.4 | T32 K198 | T32-K170 HydrophobicContact CG2-CD 4.03Å; T32-K170 HydrophobicContact CG2-CG 4.35Å; K170-K198 PolarHBondContact O-N 3.34Å | ||
| 171 | D | 96.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.4 | -170.7 | -81.9 | 6.6 | 0 | 0 | 0 | 111.8 | V35 M36 K198 L200 | V35-D171 HydrophobicContact CB-CB 4.49Å; V35-D171 HydrophobicContact CG1-CB 3.85Å; M36-D171 PolarHBondContact N-O 3.24Å; D171-K198 WeakPolarHBondContact CA-O 3.47Å; D171-K198 WeakPolarHBondContact OD1-CB 3.4Å; D171-K198 WeakPolarHBondContact OD1-CD 3.23Å; D171-K198 WeakPolarHBondContact OD1-CG 3.5Å; D171-K198 IonicContact OD1-NZ 3.92Å; D171-K198 PolarHBondContact OD1-NZ 3.23Å; D171-K198 IonicContact OD2-NZ 3.9Å; D171-K198 PolarHBondContact OD2-NZ 2.91Å; D171-L200 HydrophobicContact CB-CD1 4Å; D171-L200 HydrophobicContact CB-CD2 4.3Å; D171-L200 HydrophobicContact CB-CG 4.06Å |
| 172 | A | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | M36 L197 K198 V199 L200 | M36-A172 HydrophobicContact CG-CB 3.57Å; M36-A172 VanDerWaalsContact O-CA 3.32Å; M36-A172 WeakPolarHBondContact O-CA 3.47Å; M36-A172 HydrophobicContact SD-CB 4.22Å; A172-L197 HydrophobicContact CB-CD1 4.46Å; A172-L197 HydrophobicContact CB-CD2 4.36Å; A172-K198 PolarHBondContact N-O 3.3Å; A172-V199 CarbonylContact O-C 3.53Å; A172-V199 WeakPolarHBondContact O-CA 3.38Å; A172-L200 PolarHBondContact O-N 3.09Å |
| 173 | V | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.7 | 160.8 | 171.6 | 0 | 0 | 0 | 0 | 108.9 | M36 S37 V38 L200 Q201 I203 A419 A423 L426 | M36-V173 PolarHBondContact O-N 3.36Å; M36-V173 VanDerWaalsContact O-N 3.09Å; S37-V173 CarbonylContact C-O 3.46Å; S37-V173 WeakPolarHBondContact CA-O 3.4Å; S37-V173 WeakPolarHBondContact CB-O 3.2Å; V38-V173 PolarHBondContact N-O 2.84Å; V173-L200 HydrophobicContact CG2-CB 3.95Å; V173-Q201 HydrophobicContact CG1-CB 4.42Å; V173-Q201 HydrophobicContact CG2-CB 4.21Å; V173-I203 HydrophobicContact CG1-CB 4.1Å; V173-I203 HydrophobicContact CG1-CG2 3.57Å; V173-A419 HydrophobicContact CG1-CB 3.96Å; V173-A423 HydrophobicContact CB-CB 4.11Å; V173-A423 HydrophobicContact CG2-CB 3.64Å; V173-L426 HydrophobicContact CG2-CD1 4.33Å |
| 174 | I | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.9 | -177.9 | -55.6 | 177.8 | 0 | 0 | 0 | 108.3 | L40 L154 V188 A192 V199 Q201 L202 I203 | L40-I174 HydrophobicContact CB-CG2 4.41Å; L40-I174 HydrophobicContact CD2-CG2 4.07Å; L154-I174 HydrophobicContact CD1-CD1 3.99Å; L154-I174 HydrophobicContact CD2-CD1 3.91Å; I174-V188 HydrophobicContact CG2-CG1 4.18Å; I174-A192 HydrophobicContact CD1-CB 3.96Å; I174-V199 HydrophobicContact CD1-CG2 3.91Å; I174-Q201 PolarHBondContact N-O 3.1Å; I174-Q201 VanDerWaalsContact N-O 3.15Å; I174-L202 HydrophobicContact CB-CD2 3.94Å; I174-L202 HydrophobicContact CG2-CD2 4.49Å; I174-L202 WeakPolarHBondContact O-CA 3.43Å; I174-I203 PolarHBondContact O-N 3.33Å |
| 175 | T | 98.8 | Very high | 96 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 144.8 | 173.4 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | V38 D39 L40 I203 A208 A415 A419 | V38-T175 PolarHBondContact O-N 2.9Å; V38-T175 PolarHBondContact O-OG1 3.09Å; D39-T175 VanDerWaalsContact CA-OG1 3.32Å; D39-T175 WeakPolarHBondContact CA-OG1 3.39Å; L40-T175 PolarHBondContact N-OG1 3.26Å; T175-I203 CarbonylContact C-O 2.94Å; T175-I203 VanDerWaalsContact CA-O 3.23Å; T175-I203 WeakPolarHBondContact CA-O 3.32Å; T175-I203 HydrophobicContact CG2-CG2 4.04Å; T175-A208 HydrophobicContact CG2-CB 4.3Å; T175-A415 HydrophobicContact CG2-CB 4.28Å; T175-A419 HydrophobicContact CG2-CB 4.13Å |
| 176 | V | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 153.2 | 168.9 | -65.6 | 0 | 0 | 0 | 0 | 110.9 | V178 F180 V188 L202 I203 N204 D205 | V176-V178 PolarHBondContact O-N 3.34Å; V176-F180 HydrophobicContact CB-CD2 4.06Å; V176-F180 HydrophobicContact CB-CG 4.48Å; V176-F180 HydrophobicContact CG1-CD2 4.27Å; V176-V188 HydrophobicContact CG1-CB 4.43Å; V176-V188 HydrophobicContact CG1-CG1 4.17Å; V176-V188 HydrophobicContact CG1-CG2 4.11Å; V176-L202 HydrophobicContact CG1-CB 4.32Å; V176-L202 HydrophobicContact CG1-CD1 4.22Å; V176-L202 HydrophobicContact CG1-CD2 4.18Å; V176-L202 HydrophobicContact CG1-CG 4.48Å; V176-L202 HydrophobicContact CG2-CB 4.13Å; V176-I203 PolarHBondContact N-O 2.99Å; V176-N204 WeakPolarHBondContact O-CA 3.37Å; V176-D205 PolarHBondContact O-N 2.79Å |
| 177 | P | 97 | Very high | 96.6 | Very high | 26 Ų | 26 | 19 Ų | 19 | 17% | 0.169 | 10% | 0.096 | C | C | . | . | trans | -60.1 | 135 | 170.9 | -23.5 | 34.5 | 0 | 0 | 0 | 111.6 | F179 F180 D205 | P177-F179 HydrophobicContact CB-CD1 4.13Å; P177-F179 HydrophobicContact CB-CD2 3.97Å; P177-F179 HydrophobicContact CB-CE1 3.75Å; P177-F179 HydrophobicContact CB-CE2 3.58Å; P177-F179 HydrophobicContact CB-CG 4.24Å; P177-F179 HydrophobicContact CB-CZ 3.46Å; P177-F179 VanDerWaalsContact CB-CZ 3.46Å; P177-F179 HydrophobicContact CG-CE2 4.23Å; P177-F179 HydrophobicContact CG-CZ 4.12Å; P177-F179 PolarHBondContact O-N 3.42Å; P177-F180 HydrophobicContact CB-CD1 3.84Å; P177-F180 HydrophobicContact CB-CE1 4.02Å; P177-F180 HydrophobicContact CG-CD1 3.92Å; P177-F180 HydrophobicContact CG-CE1 3.62Å; P177-F180 HydrophobicContact CG-CZ 4.1Å; P177-F180 WeakPolarHBondContact O-CB 3.32Å; P177-F180 PolarHBondContact O-N 2.93Å; P177-D205 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 178 | V | 96.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -30.3 | -177.6 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | V176 F180 R185 N204 V239 V264 V442 | V176-V178 PolarHBondContact O-N 3.34Å; V178-F180 VanDerWaalsContact C-N 3.27Å; V178-F180 PolarHBondContact O-N 3.14Å; V178-R185 PolarHBondContact O-NH2 3.09Å; V178-N204 HydrophobicContact CB-CB 4.17Å; V178-N204 HydrophobicContact CG2-CB 4.13Å; V178-V239 HydrophobicContact CB-CG1 4.44Å; V178-V239 HydrophobicContact CG1-CG1 3.43Å; V178-V239 VanDerWaalsContact CG1-CG1 3.43Å; V178-V239 HydrophobicContact CG1-CG2 4.31Å; V178-V264 HydrophobicContact CB-CG1 4.37Å; V178-V264 HydrophobicContact CG1-CG1 3.49Å; V178-V264 VanDerWaalsContact CG1-CG1 3.49Å; V178-V264 HydrophobicContact CG2-CG1 3.91Å; V178-V264 HydrophobicContact CG2-CG2 4.13Å; V178-V442 HydrophobicContact CG2-CG2 3.82Å |
| 179 | F | 96.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 15.6 Ų | 15.6 | 4% | 0.035 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 6.2 | 177.3 | 57.9 | -111.4 | 0 | 0 | 0 | 115.2 | P177 N181 S237 V239 F266 R268 Y443 | P177-F179 HydrophobicContact CB-CD1 4.13Å; P177-F179 HydrophobicContact CB-CD2 3.97Å; P177-F179 HydrophobicContact CB-CE1 3.75Å; P177-F179 HydrophobicContact CB-CE2 3.58Å; P177-F179 HydrophobicContact CB-CG 4.24Å; P177-F179 HydrophobicContact CB-CZ 3.46Å; P177-F179 VanDerWaalsContact CB-CZ 3.46Å; P177-F179 HydrophobicContact CG-CE2 4.23Å; P177-F179 HydrophobicContact CG-CZ 4.12Å; P177-F179 PolarHBondContact O-N 3.42Å; F179-N181 PolarHBondContact O-N 2.93Å; F179-S237 WeakPolarHBondContact CZ-OG 3.28Å; F179-V239 HydrophobicContact CD1-CG2 4.04Å; F179-V239 HydrophobicContact CE1-CG2 3.85Å; F179-F266 HydrophobicContact CB-CD1 3.8Å; F179-F266 HydrophobicContact CB-CD2 3.95Å; F179-F266 HydrophobicContact CB-CE1 3.77Å; F179-F266 HydrophobicContact CB-CE2 3.93Å; F179-F266 HydrophobicContact CB-CG 3.89Å; F179-F266 HydrophobicContact CB-CZ 3.83Å; F179-F266 HydrophobicContact CD1-CB 3.85Å; F179-F266 HydrophobicContact CD1-CD1 4.46Å; F179-F266 HydrophobicContact CD1-CD2 4.07Å; F179-F266 AromaticContact CD1-CG 3.88Å; F179-F266 HydrophobicContact CD1-CG 3.88Å; F179-F266 HydrophobicContact CG-CD2 4.25Å; F179-F266 HydrophobicContact CG-CG 4.29Å; F179-R268 HydrophobicContact CB-CG 4.5Å; F179-R268 HydrophobicContact CD1-CG 4.15Å; F179-R268 HydrophobicContact CD2-CG 3.86Å; F179-R268 VanDerWaalsContact CD2-CZ 3.43Å; F179-R268 HydrophobicContact CE1-CG 4.31Å; F179-R268 HydrophobicContact CE2-CG 4.03Å; F179-R268 HydrophobicContact CG-CG 3.92Å; F179-R268 HydrophobicContact CZ-CG 4.25Å; F179-R268 PolarHBondContact O-NH1 2.95Å; F179-Y443 WeakPolarHBondContact CA-OH 3.47Å; F179-Y443 WeakPolarHBondContact O-CE2 3.37Å; F179-Y443 PolarHBondContact O-OH 2.9Å |
| 180 | F | 97.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 16.3 Ų | 16.3 | 7% | 0.07 | 8% | 0.078 | C | C | . | . | trans | -71.6 | 122.9 | 174.2 | -88.3 | 25.8 | 0 | 0 | 0 | 111.5 | L104 V176 P177 V178 E184 R185 V188 | L104-F180 HydrophobicContact CD1-CE2 4.29Å; L104-F180 HydrophobicContact CD1-CZ 4.44Å; V176-F180 HydrophobicContact CB-CD2 4.06Å; V176-F180 HydrophobicContact CB-CG 4.48Å; V176-F180 HydrophobicContact CG1-CD2 4.27Å; P177-F180 HydrophobicContact CB-CD1 3.84Å; P177-F180 HydrophobicContact CB-CE1 4.02Å; P177-F180 HydrophobicContact CG-CD1 3.92Å; P177-F180 HydrophobicContact CG-CE1 3.62Å; P177-F180 HydrophobicContact CG-CZ 4.1Å; P177-F180 WeakPolarHBondContact O-CB 3.32Å; P177-F180 PolarHBondContact O-N 2.93Å; V178-F180 VanDerWaalsContact C-N 3.27Å; V178-F180 PolarHBondContact O-N 3.14Å; F180-E184 WeakPolarHBondContact CA-OE2 3.46Å; F180-E184 HydrophobicContact CB-CB 3.88Å; F180-E184 HydrophobicContact CD1-CB 4.27Å; F180-E184 HydrophobicContact CD2-CB 3.71Å; F180-E184 HydrophobicContact CE2-CB 4.25Å; F180-E184 HydrophobicContact CG-CB 3.71Å; F180-R185 HydrophobicContact CB-CG 4.01Å; F180-R185 PolarHBondContact O-NE 3.48Å; F180-R185 PolarHBondContact O-NH2 3.23Å; F180-V188 HydrophobicContact CD2-CG2 4.33Å; F180-V188 HydrophobicContact CE2-CG2 3.93Å | ||
| 181 | N | 97 | Very high | 97.6 | Very high | 6 Ų | 6 | 11 Ų | 11 | 3% | 0.032 | 6% | 0.055 | C | C | . | . | trans | -78.3 | -178.7 | 175.2 | 83.7 | 11.2 | 0 | 0 | 0 | 112.4 | F179 A183 E184 R185 Y443 Y497 F511 | F179-N181 PolarHBondContact O-N 2.93Å; N181-A183 PolarHBondContact O-N 3.31Å; N181-A183 PolarHBondContact OD1-N 3.09Å; N181-E184 PolarHBondContact N-OE2 2.89Å; N181-E184 PolarHBondContact O-N 2.98Å; N181-E184 WeakPolarHBondContact OD1-CG 3.5Å; N181-E184 PolarHBondContact OD1-N 3.03Å; N181-R185 WeakPolarHBondContact O-CG 3.34Å; N181-R185 PolarHBondContact O-N 2.97Å; N181-Y443 HydrophobicContact CB-CD2 4.41Å; N181-Y443 HydrophobicContact CB-CE2 4.35Å; N181-Y497 WeakPolarHBondContact CB-OH 3.44Å; N181-F511 HydrophobicContact CB-CD2 4.19Å; N181-F511 HydrophobicContact CB-CE2 3.62Å; N181-F511 HydrophobicContact CB-CZ 4.06Å; N181-F511 PolarHBondContact ND2-O 3.28Å; N181-F511 VanDerWaalsContact ND2-O 3.07Å | ||
| 182 | Q | 97.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 9.7 Ų | 9.7 | 8% | 0.079 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | -176.8 | -64.8 | -62 | -55.3 | 0 | 0 | 113.7 | R186 Y497 L516 G549 | Q182-R186 WeakPolarHBondContact O-CB 3.17Å; Q182-R186 WeakPolarHBondContact O-CG 3.27Å; Q182-R186 PolarHBondContact O-N 2.64Å; Q182-R186 PolarHBondContact O-NE 3.23Å; Q182-Y497 WeakPolarHBondContact CB-OH 3.46Å; Q182-Y497 HydrophobicContact CG-CE1 4.3Å; Q182-Y497 WeakPolarHBondContact CG-OH 3.31Å; Q182-Y497 PolarHBondContact N-OH 2.96Å; Q182-L516 HydrophobicContact CB-CD2 3.77Å; Q182-L516 HydrophobicContact CG-CD1 4.35Å; Q182-L516 HydrophobicContact CG-CD2 3.81Å; Q182-G549 PolarHBondContact NE2-O 3.06Å |
| 183 | A | 96.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 16 Ų | 16 | 4% | 0.041 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.9 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N181 R186 A187 D645 L646 | N181-A183 PolarHBondContact O-N 3.31Å; N181-A183 PolarHBondContact OD1-N 3.09Å; A183-R186 PolarHBondContact O-N 3.44Å; A183-A187 WeakPolarHBondContact O-CB 2.82Å; A183-A187 PolarHBondContact O-N 3.31Å; A183-D645 PolarHBondContact N-OD2 3.45Å; A183-L646 HydrophobicContact CB-CB 3.89Å; A183-L646 HydrophobicContact CB-CD2 4.41Å |
| 184 | E | 97.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.4 | -64.5 | 174.9 | 131.8 | 0 | 0 | 111.5 | K106 F180 N181 A187 V188 R268 | K106-E184 WeakPolarHBondContact CE-OE1 3.38Å; K106-E184 IonicContact NZ-OE1 3.35Å; K106-E184 PolarHBondContact NZ-OE1 3.09Å; F180-E184 WeakPolarHBondContact CA-OE2 3.46Å; F180-E184 HydrophobicContact CB-CB 3.88Å; F180-E184 HydrophobicContact CD1-CB 4.27Å; F180-E184 HydrophobicContact CD2-CB 3.71Å; F180-E184 HydrophobicContact CE2-CB 4.25Å; F180-E184 HydrophobicContact CG-CB 3.71Å; N181-E184 PolarHBondContact N-OE2 2.89Å; N181-E184 PolarHBondContact O-N 2.98Å; N181-E184 WeakPolarHBondContact OD1-CG 3.5Å; N181-E184 PolarHBondContact OD1-N 3.03Å; E184-A187 PolarHBondContact O-N 3.47Å; E184-V188 PolarHBondContact O-N 3.25Å; E184-R268 IonicContact OE1-CZ 2.75Å; E184-R268 IonicContact OE1-NH1 3.71Å; E184-R268 PolarHBondContact OE1-NH1 3.29Å; E184-R268 IonicContact OE1-NH2 2.66Å; E184-R268 PolarHBondContact OE1-NH2 3.08Å; E184-R268 IonicContact OE2-CZ 3.22Å; E184-R268 IonicContact OE2-NH1 3.73Å; E184-R268 PolarHBondContact OE2-NH1 2.93Å; E184-R268 IonicContact OE2-NH2 3.26Å |
| 185 | R | 98 | Very high | 97.5 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 4% | 0.038 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 173.6 | -69.9 | 178.7 | -170.7 | -96.9 | -15.2 | 112.2 | V178 F180 N181 A187 V188 L189 L202 N204 S548 V550 | V178-R185 PolarHBondContact O-NH2 3.09Å; F180-R185 HydrophobicContact CB-CG 4.01Å; F180-R185 PolarHBondContact O-NE 3.48Å; F180-R185 PolarHBondContact O-NH2 3.23Å; N181-R185 WeakPolarHBondContact O-CG 3.34Å; N181-R185 PolarHBondContact O-N 2.97Å; R185-A187 VanDerWaalsContact C-N 3.33Å; R185-A187 PolarHBondContact O-N 3.39Å; R185-V188 PolarHBondContact O-N 3.11Å; R185-L189 PolarHBondContact O-N 2.75Å; R185-L189 VanDerWaalsContact O-N 3.08Å; R185-L202 HydrophobicContact CB-CD1 3.98Å; R185-L202 HydrophobicContact CG-CD1 4.31Å; R185-N204 PolarHBondContact NH1-OD1 3.36Å; R185-N204 PolarHBondContact NH2-OD1 3.33Å; R185-S548 PolarHBondContact NH1-O 3.49Å; R185-V550 HydrophobicContact CB-CG2 3.95Å |
| 186 | R | 97.1 | Very high | 97.3 | Very high | 36 Ų | 36 | 18.6 Ų | 18.6 | 14% | 0.136 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 176 | -76.4 | -175.8 | -64.5 | 121 | -3.1 | 112.7 | Q182 A183 V188 L189 Q190 D645 L646 D648 | Q182-R186 WeakPolarHBondContact O-CB 3.17Å; Q182-R186 WeakPolarHBondContact O-CG 3.27Å; Q182-R186 PolarHBondContact O-N 2.64Å; Q182-R186 PolarHBondContact O-NE 3.23Å; A183-R186 PolarHBondContact O-N 3.44Å; R186-V188 VanDerWaalsContact C-N 3.33Å; R186-V188 PolarHBondContact O-N 3.45Å; R186-L189 PolarHBondContact O-N 2.98Å; R186-Q190 VanDerWaalsContact O-CG 3.32Å; R186-Q190 WeakPolarHBondContact O-CG 3.37Å; R186-Q190 PolarHBondContact O-N 2.98Å; R186-D645 IonicContact CZ-OD1 3.3Å; R186-D645 IonicContact CZ-OD2 2.89Å; R186-D645 IonicContact NH2-OD1 2.81Å; R186-D645 PolarHBondContact NH2-OD1 2.87Å; R186-D645 IonicContact NH2-OD2 2.76Å; R186-D645 PolarHBondContact NH2-OD2 3.15Å; R186-L646 PolarHBondContact NH1-O 2.86Å; R186-L646 PolarHBondContact NH2-O 3.24Å; R186-D648 IonicContact CZ-OD1 2.63Å; R186-D648 IonicContact NH1-OD1 2.62Å; R186-D648 PolarHBondContact NH1-OD1 2.95Å; R186-D648 IonicContact NH1-OD2 2.64Å |
| 187 | A | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L104 E147 A183 E184 R185 Q190 A191 | L104-A187 HydrophobicContact CB-CB 4.04Å; L104-A187 HydrophobicContact CD2-CB 4.29Å; E147-A187 HydrophobicContact CG-CB 3.85Å; A183-A187 WeakPolarHBondContact O-CB 2.82Å; A183-A187 PolarHBondContact O-N 3.31Å; E184-A187 PolarHBondContact O-N 3.47Å; R185-A187 VanDerWaalsContact C-N 3.33Å; R185-A187 PolarHBondContact O-N 3.39Å; A187-Q190 PolarHBondContact O-N 3.1Å; A187-A191 PolarHBondContact O-N 2.94Å |
| 188 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.5 | -41.3 | 173.7 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | L104 L150 I174 V176 F180 E184 R185 R186 Q190 A191 A192 L202 | L104-V188 HydrophobicContact CD1-CG2 4.1Å; L150-V188 HydrophobicContact CD2-CB 4.45Å; L150-V188 HydrophobicContact CD2-CG1 4.39Å; L150-V188 HydrophobicContact CD2-CG2 4.12Å; I174-V188 HydrophobicContact CG2-CG1 4.18Å; V176-V188 HydrophobicContact CG1-CB 4.43Å; V176-V188 HydrophobicContact CG1-CG1 4.17Å; V176-V188 HydrophobicContact CG1-CG2 4.11Å; F180-V188 HydrophobicContact CD2-CG2 4.33Å; F180-V188 HydrophobicContact CE2-CG2 3.93Å; E184-V188 PolarHBondContact O-N 3.25Å; R185-V188 PolarHBondContact O-N 3.11Å; R186-V188 VanDerWaalsContact C-N 3.33Å; R186-V188 PolarHBondContact O-N 3.45Å; V188-Q190 PolarHBondContact O-N 3.04Å; V188-A191 PolarHBondContact O-N 2.99Å; V188-A192 PolarHBondContact O-N 3.43Å; V188-L202 HydrophobicContact CB-CD1 4.36Å; V188-L202 HydrophobicContact CG1-CD1 4.47Å; V188-L202 HydrophobicContact CG1-CD2 3.77Å |
| 189 | L | 98.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 24.6 Ų | 24.6 | 27% | 0.272 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.2 | -66.8 | -179.6 | 0 | 0 | 0 | 112.5 | R185 R186 A192 R193 V199 L202 V550 | R185-L189 PolarHBondContact O-N 2.75Å; R185-L189 VanDerWaalsContact O-N 3.08Å; R186-L189 PolarHBondContact O-N 2.98Å; L189-A192 PolarHBondContact O-N 3Å; L189-R193 WeakPolarHBondContact O-CB 3.47Å; L189-R193 PolarHBondContact O-N 3.5Å; L189-V199 HydrophobicContact CD2-CB 3.85Å; L189-V199 HydrophobicContact CD2-CG1 3.78Å; L189-V199 HydrophobicContact CD2-CG2 3.94Å; L189-L202 HydrophobicContact CD2-CD1 3.93Å; L189-L202 HydrophobicContact CD2-CD2 4.12Å; L189-L202 HydrophobicContact CD2-CG 3.88Å; L189-L202 HydrophobicContact CG-CD1 3.96Å; L189-L202 HydrophobicContact CG-CG 4.46Å; L189-V550 HydrophobicContact CD1-CG2 4.21Å |
| 190 | Q | 97 | Very high | 97.4 | Very high | 16 Ų | 16 | 25.9 Ų | 25.9 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.9 | -72 | 170.2 | 22.6 | 0 | 0 | 111.4 | R186 A187 V188 A192 R193 M194 D648 | R186-Q190 VanDerWaalsContact O-CG 3.32Å; R186-Q190 WeakPolarHBondContact O-CG 3.37Å; R186-Q190 PolarHBondContact O-N 2.98Å; A187-Q190 PolarHBondContact O-N 3.1Å; V188-Q190 PolarHBondContact O-N 3.04Å; Q190-A192 VanDerWaalsContact C-N 3.35Å; Q190-A192 PolarHBondContact O-N 3.1Å; Q190-R193 CarbonylContact O-C 3.58Å; Q190-R193 WeakPolarHBondContact O-CB 3.39Å; Q190-R193 PolarHBondContact O-N 3.23Å; Q190-M194 WeakPolarHBondContact O-CG 3.49Å; Q190-M194 PolarHBondContact O-N 3.48Å; Q190-D648 PolarHBondContact NE2-OD1 3.49Å |
| 191 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E147 L150 G151 L154 A187 V188 M194 A195 | E147-A191 HydrophobicContact CB-CB 4.48Å; E147-A191 WeakPolarHBondContact O-CB 3.46Å; L150-A191 HydrophobicContact CB-CB 3.69Å; L150-A191 HydrophobicContact CD2-CB 3.6Å; L150-A191 HydrophobicContact CG-CB 3.55Å; G151-A191 WeakPolarHBondContact CA-O 3.47Å; L154-A191 HydrophobicContact CD1-CB 4.18Å; A187-A191 PolarHBondContact O-N 2.94Å; V188-A191 PolarHBondContact O-N 2.99Å; A191-M194 WeakPolarHBondContact O-CB 3.48Å; A191-M194 PolarHBondContact O-N 3Å; A191-A195 PolarHBondContact O-N 3.03Å |
| 192 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L154 I174 V188 L189 Q190 M194 A195 G196 L197 V199 | L154-A192 HydrophobicContact CD1-CB 4.02Å; I174-A192 HydrophobicContact CD1-CB 3.96Å; V188-A192 PolarHBondContact O-N 3.43Å; L189-A192 PolarHBondContact O-N 3Å; Q190-A192 VanDerWaalsContact C-N 3.35Å; Q190-A192 PolarHBondContact O-N 3.1Å; A192-M194 VanDerWaalsContact C-N 3.33Å; A192-M194 PolarHBondContact O-N 3.43Å; A192-A195 CarbonylContact O-C 3.58Å; A192-A195 WeakPolarHBondContact O-CB 3.42Å; A192-A195 PolarHBondContact O-N 3Å; A192-A195 VanDerWaalsContact O-N 3.17Å; A192-G196 PolarHBondContact O-N 2.82Å; A192-G196 VanDerWaalsContact O-N 3.09Å; A192-L197 HydrophobicContact CB-CB 4.38Å; A192-L197 PolarHBondContact O-N 2.89Å; A192-V199 HydrophobicContact CB-CG2 3.41Å; A192-V199 VanDerWaalsContact CB-CG2 3.41Å |
| 193 | R | 97 | Very high | 97.6 | Very high | 132 Ų | 132 | 24.4 Ų | 24.4 | 50% | 0.498 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 173.1 | -170.5 | 171.1 | -178.3 | -145 | -3.9 | 111.7 | L189 Q190 G196 E651 L654 | L189-R193 WeakPolarHBondContact O-CB 3.47Å; L189-R193 PolarHBondContact O-N 3.5Å; Q190-R193 CarbonylContact O-C 3.58Å; Q190-R193 WeakPolarHBondContact O-CB 3.39Å; Q190-R193 PolarHBondContact O-N 3.23Å; R193-G196 PolarHBondContact O-N 3.12Å; R193-E651 IonicContact CZ-OE1 2.69Å; R193-E651 IonicContact CZ-OE2 3.14Å; R193-E651 IonicContact NH1-OE1 2.73Å; R193-E651 PolarHBondContact NH1-OE1 3.09Å; R193-E651 IonicContact NH1-OE2 2.75Å; R193-E651 PolarHBondContact NH1-OE2 3.3Å; R193-E651 IonicContact NH2-OE1 3.88Å; R193-E651 PolarHBondContact NH2-OE1 2.86Å; R193-E651 IonicContact NH2-OE2 2.66Å; R193-L654 HydrophobicContact CG-CD2 4.39Å |
| 194 | M | 97.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 3% | 0.034 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.5 | -35.9 | 172.5 | -68.1 | 175.7 | -170.6 | 0 | 0 | 112.9 | E147 E148 Q190 A191 A192 G196 L649 L654 V658 L661 | E147-M194 HydrophobicContact CB-CE 4.4Å; E148-M194 HydrophobicContact CB-SD 4.41Å; E148-M194 HydrophobicContact CG-CE 4.25Å; E148-M194 HydrophobicContact CG-SD 3.86Å; Q190-M194 WeakPolarHBondContact O-CG 3.49Å; Q190-M194 PolarHBondContact O-N 3.48Å; A191-M194 WeakPolarHBondContact O-CB 3.48Å; A191-M194 PolarHBondContact O-N 3Å; A192-M194 VanDerWaalsContact C-N 3.33Å; A192-M194 PolarHBondContact O-N 3.43Å; M194-G196 PolarHBondContact O-N 3.27Å; M194-L649 HydrophobicContact CE-CD2 4.15Å; M194-L654 HydrophobicContact CE-CD1 3.61Å; M194-L654 HydrophobicContact CG-CD1 3.6Å; M194-L654 HydrophobicContact SD-CD1 4.46Å; M194-V658 HydrophobicContact CG-CG2 4.4Å; M194-L661 HydrophobicContact CB-CD1 4.12Å |
| 195 | A | 96.9 | Very high | 97.7 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73 | -12 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L154 N155 R158 A191 A192 L197 | L154-A195 HydrophobicContact CB-CB 3.84Å; N155-A195 HydrophobicContact CB-CB 4.16Å; R158-A195 VanDerWaalsContact CZ-O 3.27Å; R158-A195 PolarHBondContact NH1-O 2.98Å; R158-A195 PolarHBondContact NH2-O 3.36Å; R158-A195 VanDerWaalsContact NH2-O 3.13Å; A191-A195 PolarHBondContact O-N 3.03Å; A192-A195 CarbonylContact O-C 3.58Å; A192-A195 WeakPolarHBondContact O-CB 3.42Å; A192-A195 PolarHBondContact O-N 3Å; A192-A195 VanDerWaalsContact O-N 3.17Å; A195-L197 HydrophobicContact CB-CD1 4.39Å; A195-L197 HydrophobicContact CB-CG 4.36Å |
| 196 | G | 95.7 | Very high | 97.7 | Very high | 46 Ų | 46 | 24.7 Ų | 24.7 | 47% | 0.474 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 27.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R158 A192 R193 M194 | R158-G196 PolarHBondContact NH1-O 3.36Å; A192-G196 PolarHBondContact O-N 2.82Å; A192-G196 VanDerWaalsContact O-N 3.09Å; R193-G196 PolarHBondContact O-N 3.12Å; M194-G196 PolarHBondContact O-N 3.27Å |
| 197 | L | 97.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 23 Ų | 23 | 6% | 0.058 | 12% | 0.119 | C | C | . | . | trans | -96.7 | 133.1 | 173.5 | -71.8 | 173.6 | 0 | 0 | 0 | 110.8 | M36 L154 R158 A172 A192 A195 | M36-L197 HydrophobicContact SD-CD2 4.06Å; L154-L197 HydrophobicContact CB-CD1 4.19Å; R158-L197 HydrophobicContact CB-CD2 4.21Å; R158-L197 HydrophobicContact CG-CD2 4.07Å; A172-L197 HydrophobicContact CB-CD1 4.46Å; A172-L197 HydrophobicContact CB-CD2 4.36Å; A192-L197 HydrophobicContact CB-CB 4.38Å; A192-L197 PolarHBondContact O-N 2.89Å; A195-L197 HydrophobicContact CB-CD1 4.39Å; A195-L197 HydrophobicContact CB-CG 4.36Å | ||
| 198 | K | 97 | Very high | 97.8 | Very high | 114 Ų | 114 | 23 Ų | 23 | 50% | 0.496 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 107.3 | 165.7 | 167 | 163.4 | 152.9 | -86.4 | 0 | 108.6 | K170 D171 A172 L200 | K170-K198 PolarHBondContact O-N 3.34Å; D171-K198 WeakPolarHBondContact CA-O 3.47Å; D171-K198 WeakPolarHBondContact OD1-CB 3.4Å; D171-K198 WeakPolarHBondContact OD1-CD 3.23Å; D171-K198 WeakPolarHBondContact OD1-CG 3.5Å; D171-K198 IonicContact OD1-NZ 3.92Å; D171-K198 PolarHBondContact OD1-NZ 3.23Å; D171-K198 IonicContact OD2-NZ 3.9Å; D171-K198 PolarHBondContact OD2-NZ 2.91Å; A172-K198 PolarHBondContact N-O 3.3Å; K198-L200 PolarHBondContact O-N 3.03Å |
| 199 | V | 98.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 23.1 Ų | 23.1 | 19% | 0.194 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 117.6 | 173.4 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | A172 I174 L189 A192 Q201 L202 | A172-V199 CarbonylContact O-C 3.53Å; A172-V199 WeakPolarHBondContact O-CA 3.38Å; I174-V199 HydrophobicContact CD1-CG2 3.91Å; L189-V199 HydrophobicContact CD2-CB 3.85Å; L189-V199 HydrophobicContact CD2-CG1 3.78Å; L189-V199 HydrophobicContact CD2-CG2 3.94Å; A192-V199 HydrophobicContact CB-CG2 3.41Å; A192-V199 VanDerWaalsContact CB-CG2 3.41Å; V199-Q201 VanDerWaalsContact CG1-C 3.45Å; V199-Q201 WeakPolarHBondContact CG1-O 3.31Å; V199-L202 HydrophobicContact CG1-CD2 3.83Å; V199-L202 HydrophobicContact CG1-CG 4.18Å |
| 200 | L | 97.8 | Very high | 97.8 | Very high | 34 Ų | 34 | 20.6 Ų | 20.6 | 18% | 0.178 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -36.2 | 170.7 | -67.6 | -179.4 | 0 | 0 | 0 | 111.2 | D171 A172 V173 K198 A423 L426 | D171-L200 HydrophobicContact CB-CD1 4Å; D171-L200 HydrophobicContact CB-CD2 4.3Å; D171-L200 HydrophobicContact CB-CG 4.06Å; A172-L200 PolarHBondContact O-N 3.09Å; V173-L200 HydrophobicContact CG2-CB 3.95Å; K198-L200 PolarHBondContact O-N 3.03Å; L200-A423 HydrophobicContact CD1-CB 4.46Å; L200-L426 HydrophobicContact CB-CB 4.3Å; L200-L426 HydrophobicContact CB-CD1 3.95Å; L200-L426 HydrophobicContact CD1-CB 4.12Å |
| 201 | Q | 98.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 143.9 | 176 | -171.3 | 176.4 | -2.8 | 0 | 0 | 110.6 | V173 I174 V199 L426 E547 | V173-Q201 HydrophobicContact CG1-CB 4.42Å; V173-Q201 HydrophobicContact CG2-CB 4.21Å; I174-Q201 PolarHBondContact N-O 3.1Å; I174-Q201 VanDerWaalsContact N-O 3.15Å; V199-Q201 VanDerWaalsContact CG1-C 3.45Å; V199-Q201 WeakPolarHBondContact CG1-O 3.31Å; Q201-L426 HydrophobicContact CB-CD1 3.74Å; Q201-E547 HydrophobicContact CG-CB 3.96Å; Q201-E547 WeakPolarHBondContact CG-O 3.49Å; Q201-E547 PolarHBondContact NE2-O 3.42Å |
| 202 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 104.8 | 154 | -59 | -177.6 | 0 | 0 | 0 | 109.4 | I174 V176 R185 V188 L189 V199 S548 | I174-L202 HydrophobicContact CB-CD2 3.94Å; I174-L202 HydrophobicContact CG2-CD2 4.49Å; I174-L202 WeakPolarHBondContact O-CA 3.43Å; V176-L202 HydrophobicContact CG1-CB 4.32Å; V176-L202 HydrophobicContact CG1-CD1 4.22Å; V176-L202 HydrophobicContact CG1-CD2 4.18Å; V176-L202 HydrophobicContact CG1-CG 4.48Å; V176-L202 HydrophobicContact CG2-CB 4.13Å; R185-L202 HydrophobicContact CB-CD1 3.98Å; R185-L202 HydrophobicContact CG-CD1 4.31Å; V188-L202 HydrophobicContact CB-CD1 4.36Å; V188-L202 HydrophobicContact CG1-CD1 4.47Å; V188-L202 HydrophobicContact CG1-CD2 3.77Å; L189-L202 HydrophobicContact CD2-CD1 3.93Å; L189-L202 HydrophobicContact CD2-CD2 4.12Å; L189-L202 HydrophobicContact CD2-CG 3.88Å; L189-L202 HydrophobicContact CG-CD1 3.96Å; L189-L202 HydrophobicContact CG-CG 4.46Å; V199-L202 HydrophobicContact CG1-CD2 3.83Å; V199-L202 HydrophobicContact CG1-CG 4.18Å; L202-S548 PolarHBondContact N-OG 3.02Å; L202-S548 VanDerWaalsContact N-OG 3.1Å; L202-S548 WeakPolarHBondContact O-CA 3.45Å |
| 203 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 144.3 | 178.2 | -168.9 | 165.8 | 0 | 0 | 0 | 109.8 | V173 I174 T175 V176 T207 A208 L211 A419 Q422 | V173-I203 HydrophobicContact CG1-CB 4.1Å; V173-I203 HydrophobicContact CG1-CG2 3.57Å; I174-I203 PolarHBondContact O-N 3.33Å; T175-I203 CarbonylContact C-O 2.94Å; T175-I203 VanDerWaalsContact CA-O 3.23Å; T175-I203 WeakPolarHBondContact CA-O 3.32Å; T175-I203 HydrophobicContact CG2-CG2 4.04Å; V176-I203 PolarHBondContact N-O 2.99Å; I203-T207 HydrophobicContact CD1-CG2 4.35Å; I203-T207 HydrophobicContact CG1-CG2 4.21Å; I203-A208 HydrophobicContact CD1-CB 3.86Å; I203-A208 HydrophobicContact CG1-CB 4.11Å; I203-A208 HydrophobicContact CG2-CB 3.94Å; I203-L211 HydrophobicContact CD1-CD2 4.42Å; I203-A419 HydrophobicContact CG2-CB 4.05Å; I203-Q422 HydrophobicContact CD1-CB 4.33Å; I203-Q422 HydrophobicContact CD1-CG 4.29Å |
| 204 | N | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.011 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 138.7 | 173.4 | -61.9 | -34.8 | 0 | 0 | 0 | 109.8 | V176 V178 R185 N206 T207 A208 D439 Y476 | V176-N204 WeakPolarHBondContact O-CA 3.37Å; V178-N204 HydrophobicContact CB-CB 4.17Å; V178-N204 HydrophobicContact CG2-CB 4.13Å; R185-N204 PolarHBondContact NH1-OD1 3.36Å; R185-N204 PolarHBondContact NH2-OD1 3.33Å; N204-N206 PolarHBondContact O-N 3.11Å; N204-T207 CarbonylContact O-C 3.53Å; N204-T207 WeakPolarHBondContact O-CA 3.37Å; N204-T207 WeakPolarHBondContact O-CB 3.26Å; N204-T207 PolarHBondContact O-N 3.1Å; N204-A208 PolarHBondContact O-N 2.92Å; N204-D439 PolarHBondContact ND2-OD1 2.81Å; N204-D439 PolarHBondContact ND2-OD2 2.89Å; N204-Y476 PolarHBondContact ND2-OH 2.79Å; N204-Y476 VanDerWaalsContact ND2-OH 3.09Å |
| 205 | D | 96.1 | Very high | 97.7 | Very high | 21 Ų | 21 | 15.8 Ų | 15.8 | 11% | 0.112 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -41.6 | -59.8 | 178.4 | 48.2 | 8.1 | 0 | 0 | 0 | 114.2 | V176 P177 T207 A208 T209 | V176-D205 PolarHBondContact O-N 2.79Å; P177-D205 WeakPolarHBondContact CA-OD2 3.49Å; D205-T207 VanDerWaalsContact C-N 3.33Å; D205-T207 PolarHBondContact O-N 3.28Å; D205-A208 PolarHBondContact O-N 2.68Å; D205-T209 PolarHBondContact O-N 2.77Å; D205-T209 PolarHBondContact O-OG1 3.26Å |
| 206 | N | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.5 | -27.2 | 178.6 | -92.3 | -15.8 | 0 | 0 | 0 | 113.3 | N204 T209 A210 V239 T241 | N204-N206 PolarHBondContact O-N 3.11Å; N206-T209 PolarHBondContact O-N 3.05Å; N206-A210 WeakPolarHBondContact O-CB 3.45Å; N206-A210 PolarHBondContact O-N 3.21Å; N206-V239 WeakPolarHBondContact ND2-CG1 3.35Å; N206-V239 PolarHBondContact ND2-O 3.37Å; N206-V239 VanDerWaalsContact ND2-O 3.12Å; N206-T241 HydrophobicContact CB-CG2 4.21Å; N206-T241 WeakPolarHBondContact CB-OG1 3.34Å; N206-T241 PolarHBondContact ND2-OG1 3.16Å |
| 207 | T | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.8 | -37.4 | 173 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | I203 N204 D205 L211 L259 I261 V437 D439 | I203-T207 HydrophobicContact CD1-CG2 4.35Å; I203-T207 HydrophobicContact CG1-CG2 4.21Å; N204-T207 CarbonylContact O-C 3.53Å; N204-T207 WeakPolarHBondContact O-CA 3.37Å; N204-T207 WeakPolarHBondContact O-CB 3.26Å; N204-T207 PolarHBondContact O-N 3.1Å; D205-T207 VanDerWaalsContact C-N 3.33Å; D205-T207 PolarHBondContact O-N 3.28Å; T207-L211 WeakPolarHBondContact O-CB 3.42Å; T207-L211 PolarHBondContact O-N 2.86Å; T207-L259 HydrophobicContact CG2-CD1 4.17Å; T207-I261 HydrophobicContact CG2-CD1 4.37Å; T207-V437 HydrophobicContact CG2-CG1 3.82Å; T207-D439 WeakPolarHBondContact CB-OD2 3.41Å; T207-D439 HydrophobicContact CG2-CB 4.4Å; T207-D439 VanDerWaalsContact CG2-OD2 3.31Å; T207-D439 WeakPolarHBondContact CG2-OD2 3.36Å; T207-D439 VanDerWaalsContact OG1-CG 3.25Å; T207-D439 PolarHBondContact OG1-OD2 3.41Å |
| 208 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.3 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T175 I203 N204 D205 A210 L211 S212 A415 G418 A419 | T175-A208 HydrophobicContact CG2-CB 4.3Å; I203-A208 HydrophobicContact CD1-CB 3.86Å; I203-A208 HydrophobicContact CG1-CB 4.11Å; I203-A208 HydrophobicContact CG2-CB 3.94Å; N204-A208 PolarHBondContact O-N 2.92Å; D205-A208 PolarHBondContact O-N 2.68Å; A208-A210 VanDerWaalsContact C-N 3.34Å; A208-A210 PolarHBondContact O-N 3.21Å; A208-L211 PolarHBondContact O-N 2.79Å; A208-S212 PolarHBondContact O-N 2.82Å; A208-A415 HydrophobicContact CB-CB 4.41Å; A208-A415 WeakPolarHBondContact CB-O 3.45Å; A208-G418 WeakPolarHBondContact O-CA 3.46Å; A208-A419 HydrophobicContact CB-CB 4.37Å |
| 209 | T | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 173.1 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | D205 N206 S212 Y213 F230 V383 I409 A414 A415 | D205-T209 PolarHBondContact O-N 2.77Å; D205-T209 PolarHBondContact O-OG1 3.26Å; N206-T209 PolarHBondContact O-N 3.05Å; T209-S212 WeakPolarHBondContact O-CB 3.25Å; T209-S212 PolarHBondContact O-N 3.11Å; T209-Y213 PolarHBondContact O-N 3.18Å; T209-F230 HydrophobicContact CG2-CD1 3.87Å; T209-F230 HydrophobicContact CG2-CE1 4.18Å; T209-V383 HydrophobicContact CG2-CG1 4.06Å; T209-V383 HydrophobicContact CG2-CG2 3.78Å; T209-I409 HydrophobicContact CG2-CD1 4.1Å; T209-A414 HydrophobicContact CG2-CB 3.78Å; T209-A415 PolarHBondContact OG1-N 2.73Å |
| 210 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N206 A208 S212 Y213 G214 F230 V243 Y245 L259 | N206-A210 WeakPolarHBondContact O-CB 3.45Å; N206-A210 PolarHBondContact O-N 3.21Å; A208-A210 VanDerWaalsContact C-N 3.34Å; A208-A210 PolarHBondContact O-N 3.21Å; A210-S212 VanDerWaalsContact C-N 3.35Å; A210-S212 PolarHBondContact O-N 2.95Å; A210-Y213 PolarHBondContact O-N 2.73Å; A210-G214 PolarHBondContact O-N 3.14Å; A210-F230 HydrophobicContact CB-CD2 4.19Å; A210-F230 HydrophobicContact CB-CE2 3.82Å; A210-F230 HydrophobicContact CB-CZ 4.16Å; A210-V243 HydrophobicContact CB-CG1 4.33Å; A210-V243 HydrophobicContact CB-CG2 4.03Å; A210-Y245 VanDerWaalsContact CA-OH 3.25Å; A210-Y245 WeakPolarHBondContact CA-OH 3.27Å; A210-Y245 VanDerWaalsContact CB-OH 3.3Å; A210-Y245 WeakPolarHBondContact CB-OH 3.39Å; A210-Y245 PolarHBondContact O-OH 3.29Å; A210-L259 HydrophobicContact CB-CD2 4.37Å |
| 211 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.5 | -179.8 | 57.2 | 0 | 0 | 0 | 111.3 | I203 T207 A208 G214 V215 L259 G418 Y421 Q422 F435 V437 | I203-L211 HydrophobicContact CD1-CD2 4.42Å; T207-L211 WeakPolarHBondContact O-CB 3.42Å; T207-L211 PolarHBondContact O-N 2.86Å; A208-L211 PolarHBondContact O-N 2.79Å; L211-G214 PolarHBondContact O-N 3.36Å; L211-V215 HydrophobicContact CD1-CG2 3.88Å; L211-V215 HydrophobicContact CG-CG2 4.35Å; L211-V215 VanDerWaalsContact O-CB 3.31Å; L211-V215 WeakPolarHBondContact O-CB 3.47Å; L211-V215 WeakPolarHBondContact O-CG2 3.49Å; L211-V215 PolarHBondContact O-N 3.05Å; L211-L259 VanDerWaalsContact CA-CD2 3.46Å; L211-L259 HydrophobicContact CB-CD2 3.83Å; L211-L259 HydrophobicContact CD1-CD2 4.07Å; L211-G418 WeakPolarHBondContact CD2-O 3.45Å; L211-Y421 HydrophobicContact CD1-CD1 4.34Å; L211-Y421 HydrophobicContact CD2-CD1 4.3Å; L211-Y421 HydrophobicContact CG-CD1 4.39Å; L211-Q422 HydrophobicContact CD2-CB 3.89Å; L211-F435 HydrophobicContact CD1-CB 4.21Å; L211-F435 HydrophobicContact CD1-CD1 3.64Å; L211-F435 HydrophobicContact CD1-CE1 4.2Å; L211-F435 HydrophobicContact CD1-CG 3.91Å; L211-V437 HydrophobicContact CD1-CG2 3.92Å; L211-V437 HydrophobicContact CD2-CG2 4.07Å |
| 212 | S | 97.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.3 | -52.6 | 174.7 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | A208 T209 A210 G214 V215 F216 A414 | A208-S212 PolarHBondContact O-N 2.82Å; T209-S212 WeakPolarHBondContact O-CB 3.25Å; T209-S212 PolarHBondContact O-N 3.11Å; A210-S212 VanDerWaalsContact C-N 3.35Å; A210-S212 PolarHBondContact O-N 2.95Å; S212-G214 PolarHBondContact O-N 3.39Å; S212-V215 PolarHBondContact O-N 2.66Å; S212-F216 WeakPolarHBondContact O-CD2 3.23Å; S212-F216 PolarHBondContact O-N 3.12Å; S212-A414 WeakPolarHBondContact CB-O 3.41Å; S212-A414 PolarHBondContact OG-O 3.31Å |
| 213 | Y | 97.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 9% | 0.09 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52 | -54.1 | 175.1 | 179.4 | -94.5 | 0 | 0 | 0 | 112.3 | T209 A210 V215 F216 R217 I228 F230 Y245 I381 | T209-Y213 PolarHBondContact O-N 3.18Å; A210-Y213 PolarHBondContact O-N 2.73Å; Y213-V215 PolarHBondContact O-N 2.89Å; Y213-F216 PolarHBondContact O-N 3.01Å; Y213-R217 WeakPolarHBondContact O-CB 3.47Å; Y213-R217 PolarHBondContact O-N 2.9Å; Y213-R217 PolarHBondContact OH-NH1 3.08Å; Y213-I228 HydrophobicContact CE1-CG1 4.21Å; Y213-F230 AromaticContact CD1-CZ 3.94Å; Y213-F230 HydrophobicContact CD1-CZ 3.94Å; Y213-F230 HydrophobicContact CD2-CE1 4.4Å; Y213-F230 HydrophobicContact CD2-CZ 4.35Å; Y213-F230 HydrophobicContact CG-CE1 4.16Å; Y213-F230 AromaticContact CG-CZ 3.8Å; Y213-F230 HydrophobicContact CG-CZ 3.8Å; Y213-Y245 HydrophobicContact CD1-CE1 4.35Å; Y213-Y245 AromaticContact CD1-CE2 3.86Å; Y213-Y245 HydrophobicContact CD1-CE2 3.86Å; Y213-Y245 AromaticContact CD1-CZ 3.65Å; Y213-Y245 WeakPolarHBondContact CD1-OH 3.36Å; Y213-Y245 AromaticContact CE1-CE2 3.98Å; Y213-Y245 HydrophobicContact CE1-CE2 3.98Å; Y213-I381 HydrophobicContact CD2-CD1 3.7Å; Y213-I381 HydrophobicContact CE2-CD1 3.26Å; Y213-I381 HydrophobicContact CG-CD1 4.49Å |
| 214 | G | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -32.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | A210 L211 S212 R217 R218 F435 | A210-G214 PolarHBondContact O-N 3.14Å; L211-G214 PolarHBondContact O-N 3.36Å; S212-G214 PolarHBondContact O-N 3.39Å; G214-R217 CarbonylContact O-C 3.57Å; G214-R218 WeakPolarHBondContact O-CA 3.42Å; G214-R218 PolarHBondContact O-N 3.42Å; G214-F435 VanDerWaalsContact C-CE2 3.46Å; G214-F435 WeakPolarHBondContact O-CE2 3.34Å |
| 215 | V | 95.4 | Very high | 96.2 | Very high | 24 Ų | 24 | 46.3 Ų | 46.3 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.5 | -46 | 177.6 | 160.8 | 0 | 0 | 0 | 0 | 111.6 | L211 S212 Y213 R218 Y421 F435 | L211-V215 HydrophobicContact CD1-CG2 3.88Å; L211-V215 HydrophobicContact CG-CG2 4.35Å; L211-V215 VanDerWaalsContact O-CB 3.31Å; L211-V215 WeakPolarHBondContact O-CB 3.47Å; L211-V215 WeakPolarHBondContact O-CG2 3.49Å; L211-V215 PolarHBondContact O-N 3.05Å; S212-V215 PolarHBondContact O-N 2.66Å; Y213-V215 PolarHBondContact O-N 2.89Å; V215-R218 WeakPolarHBondContact O-CB 3.29Å; V215-Y421 HydrophobicContact CB-CD2 4.38Å; V215-Y421 HydrophobicContact CB-CE2 4.21Å; V215-Y421 HydrophobicContact CG1-CD2 3.67Å; V215-Y421 HydrophobicContact CG1-CE2 3.41Å; V215-Y421 VanDerWaalsContact CG1-CE2 3.41Å; V215-Y421 HydrophobicContact CG1-CG 4.5Å; V215-Y421 HydrophobicContact CG2-CD1 3.85Å; V215-Y421 HydrophobicContact CG2-CD2 3.88Å; V215-Y421 HydrophobicContact CG2-CE1 3.65Å; V215-Y421 HydrophobicContact CG2-CE2 3.65Å; V215-Y421 HydrophobicContact CG2-CG 3.96Å; V215-F435 HydrophobicContact CG2-CD2 3.98Å; V215-F435 HydrophobicContact CG2-CE2 4.48Å; V215-F435 HydrophobicContact CG2-CG 4.38Å |
| 216 | F | 92.5 | Very high | 96.3 | Very high | 154 Ų | 154 | 47.2 Ų | 47.2 | 68% | 0.675 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -70.6 | -34.9 | 177 | -70.2 | -67.9 | 0 | 0 | 0 | 112 | S212 Y213 R218 | S212-F216 WeakPolarHBondContact O-CD2 3.23Å; S212-F216 PolarHBondContact O-N 3.12Å; Y213-F216 PolarHBondContact O-N 3.01Å; F216-R218 PolarHBondContact O-N 2.8Å |
| 217 | R | 94.9 | Very high | 96.3 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 20 | 178 | -68.8 | 173.9 | 170.8 | -121 | -21.3 | 114.6 | Y213 G214 K219 D220 N408 | Y213-R217 WeakPolarHBondContact O-CB 3.47Å; Y213-R217 PolarHBondContact O-N 2.9Å; Y213-R217 PolarHBondContact OH-NH1 3.08Å; G214-R217 CarbonylContact O-C 3.57Å; R217-K219 PolarHBondContact O-N 2.67Å; R217-D220 WeakPolarHBondContact CA-OD2 3.28Å; R217-D220 VanDerWaalsContact CB-OD2 3.31Å; R217-D220 WeakPolarHBondContact CB-OD2 3.43Å; R217-D220 WeakPolarHBondContact CG-OD2 3.4Å; R217-D220 WeakPolarHBondContact O-CB 3.46Å; R217-D220 PolarHBondContact O-N 2.66Å; R217-N408 PolarHBondContact NH1-ND2 2.8Å; R217-N408 PolarHBondContact NH2-ND2 2.81Å |
| 218 | R | 94.5 | Very high | 96.3 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 19% | 0.189 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.9 | -176.3 | 166.8 | 178.7 | -97.3 | 119.6 | -11.5 | 114.7 | G214 V215 F216 P257 Y421 K433 P434 | G214-R218 WeakPolarHBondContact O-CA 3.42Å; G214-R218 PolarHBondContact O-N 3.42Å; V215-R218 WeakPolarHBondContact O-CB 3.29Å; F216-R218 PolarHBondContact O-N 2.8Å; R218-P257 HydrophobicContact CG-CG 4.29Å; R218-Y421 PolarHBondContact NH1-OH 3.42Å; R218-Y421 VanDerWaalsContact NH1-OH 3.08Å; R218-Y421 PolarHBondContact NH2-OH 2.95Å; R218-K433 VanDerWaalsContact NH2-C 3.34Å; R218-K433 PolarHBondContact NH2-O 3.1Å; R218-P434 VanDerWaalsContact NH2-C 3.3Å; R218-P434 PolarHBondContact NH2-O 2.85Å |
| 219 | K | 93.4 | Very high | 96.3 | Very high | 202 Ų | 202 | 48.4 Ų | 48.4 | 88% | 0.878 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -22.6 | 178.6 | -66.4 | -177.8 | -177.8 | 175.3 | 0 | 113.3 | R217 | R217-K219 PolarHBondContact O-N 2.67Š|
| 220 | D | 94.1 | Very high | 96.3 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -23.1 | -170 | -41.8 | -36.7 | 0 | 0 | 0 | 110.8 | R217 N222 Q226 | R217-D220 WeakPolarHBondContact CA-OD2 3.28Å; R217-D220 VanDerWaalsContact CB-OD2 3.31Å; R217-D220 WeakPolarHBondContact CB-OD2 3.43Å; R217-D220 WeakPolarHBondContact CG-OD2 3.4Å; R217-D220 WeakPolarHBondContact O-CB 3.46Å; R217-D220 PolarHBondContact O-N 2.66Å; D220-N222 PolarHBondContact O-N 3.31Å; D220-N222 PolarHBondContact O-ND2 3.12Å; D220-Q226 PolarHBondContact O-NE2 3.13Å; D220-Q226 VanDerWaalsContact O-NE2 3.1Å |
| 221 | I | 95.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | trans | -68.2 | 117.3 | 172.3 | -54.4 | 174.5 | 0 | 0 | 0 | 109.2 | Y245 M247 P257 F435 | I221-Y245 HydrophobicContact CD1-CD1 3.85Å; I221-Y245 HydrophobicContact CD1-CG 4.35Å; I221-M247 HydrophobicContact CG2-CG 4.21Å; I221-M247 HydrophobicContact CG2-SD 4.35Å; I221-M247 VanDerWaalsContact O-CG 3.32Å; I221-M247 WeakPolarHBondContact O-CG 3.29Å; I221-P257 HydrophobicContact CB-CB 4.47Å; I221-P257 HydrophobicContact CD1-CB 3.96Å; I221-P257 HydrophobicContact CG2-CB 4.17Å; I221-F435 HydrophobicContact CD1-CE2 3.88Å; I221-F435 HydrophobicContact CD1-CZ 3.72Å | ||
| 222 | N | 94.8 | Very high | 96.3 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 33% | 0.332 | 25% | 0.25 | S | S | . | . | trans | -123.7 | -166.7 | -178.9 | 67.2 | 89.7 | 0 | 0 | 0 | 110.7 | D220 T224 Q226 Q246 M247 | D220-N222 PolarHBondContact O-N 3.31Å; D220-N222 PolarHBondContact O-ND2 3.12Å; N222-T224 VanDerWaalsContact C-N 3.25Å; N222-T224 PolarHBondContact O-N 3.38Å; N222-T224 WeakPolarHBondContact OD1-CB 3.38Å; N222-T224 PolarHBondContact OD1-N 3.05Å; N222-T224 PolarHBondContact OD1-OG1 3.31Å; N222-Q226 PolarHBondContact ND2-NE2 3.29Å; N222-Q246 CarbonylContact O-C 3.59Å; N222-Q246 WeakPolarHBondContact O-CA 3.25Å; N222-M247 PolarHBondContact O-N 3.16Å | ||
| 223 | T | 94.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 49.3 Ų | 49.3 | 66% | 0.663 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -75.3 | -11.3 | -179.6 | 46.8 | 0 | 0 | 0 | 0 | 114.2 | M247 M255 | T223-M247 HydrophobicContact CG2-CB 4.29Å; T223-M255 HydrophobicContact CG2-CE 3.87Å |
| 224 | T | 95.5 | Very high | 96.3 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 54% | 0.54 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -80.4 | 139.2 | 172.5 | -41.1 | 0 | 0 | 0 | 0 | 109.5 | N222 Q226 | N222-T224 VanDerWaalsContact C-N 3.25Å; N222-T224 PolarHBondContact O-N 3.38Å; N222-T224 WeakPolarHBondContact OD1-CB 3.38Å; N222-T224 PolarHBondContact OD1-N 3.05Å; N222-T224 PolarHBondContact OD1-OG1 3.31Å; T224-Q226 PolarHBondContact O-N 2.89Å |
| 225 | A | 96.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 35% | 0.347 | 25% | 0.254 | S | S | . | . | trans | -72.6 | 113.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T244 | A225-T244 HydrophobicContact CB-CG2 3.63Š| ||
| 226 | Q | 97.9 | Very high | 96.3 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.2 | 176.3 | -74.2 | 168 | -32.1 | 0 | 0 | 109.3 | D220 N222 T224 T244 Y245 E378 | D220-Q226 PolarHBondContact O-NE2 3.13Å; D220-Q226 VanDerWaalsContact O-NE2 3.1Å; N222-Q226 PolarHBondContact ND2-NE2 3.29Å; T224-Q226 PolarHBondContact O-N 2.89Å; Q226-T244 CarbonylContact O-C 3.57Å; Q226-T244 WeakPolarHBondContact O-CA 3.15Å; Q226-Y245 PolarHBondContact N-O 3.28Å; Q226-Y245 PolarHBondContact O-N 3.04Å; Q226-E378 WeakPolarHBondContact CA-OE2 3.44Å; Q226-E378 VanDerWaalsContact CB-OE2 3.24Å; Q226-E378 WeakPolarHBondContact CB-OE2 3.39Å; Q226-E378 WeakPolarHBondContact CG-OE2 3.48Å |
| 227 | N | 98.3 | Very high | 96.5 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.1 | -175.7 | -54.2 | -53.1 | 0 | 0 | 0 | 111.5 | V243 T244 M372 E376 I377 E378 | N227-V243 WeakPolarHBondContact CA-O 3.25Å; N227-T244 PolarHBondContact OD1-OG1 3.13Å; N227-M372 HydrophobicContact CB-CE 3.9Å; N227-M372 WeakPolarHBondContact ND2-CE 3.47Å; N227-E376 WeakPolarHBondContact CB-O 3.23Å; N227-E376 PolarHBondContact ND2-O 3.43Å; N227-E376 VanDerWaalsContact ND2-O 3.15Å; N227-I377 HydrophobicContact CB-CD1 4.38Å; N227-E378 PolarHBondContact O-N 3.34Å |
| 228 | I | 98.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.6 | -177.6 | -51.4 | -63.6 | 0 | 0 | 0 | 108.9 | Y213 F230 V243 Y245 E378 Q379 I381 | Y213-I228 HydrophobicContact CE1-CG1 4.21Å; I228-F230 HydrophobicContact CB-CE2 4.05Å; I228-F230 HydrophobicContact CG2-CD2 4.25Å; I228-F230 HydrophobicContact CG2-CE2 3.65Å; I228-F230 HydrophobicContact CG2-CZ 3.8Å; I228-V243 PolarHBondContact N-O 2.86Å; I228-V243 PolarHBondContact O-N 3.43Å; I228-Y245 HydrophobicContact CB-CD2 4.42Å; I228-Y245 HydrophobicContact CB-CE2 3.96Å; I228-Y245 HydrophobicContact CG1-CD2 3.83Å; I228-Y245 HydrophobicContact CG1-CE2 3.75Å; I228-E378 HydrophobicContact CD1-CB 4.22Å; I228-Q379 HydrophobicContact CD1-CB 3.99Å; I228-I381 HydrophobicContact CG2-CD1 3.52Å; I228-I381 HydrophobicContact CG2-CG1 3.94Å |
| 229 | M | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121 | 175.2 | 178.4 | -178.3 | -73.9 | 0 | 0 | 109.5 | C240 T241 I242 V363 L367 I377 Q379 V380 I381 V400 | M229-C240 VanDerWaalsContact CG-SG 3.53Å; M229-C240 VanDerWaalsContact SD-SG 3.65Å; M229-T241 WeakPolarHBondContact CA-O 3.02Å; M229-I242 HydrophobicContact CB-CG1 4.45Å; M229-I242 HydrophobicContact CE-CD1 3.9Å; M229-I242 HydrophobicContact CE-CG1 3.84Å; M229-I242 HydrophobicContact CG-CG1 4.38Å; M229-V363 HydrophobicContact CE-CG1 3.92Å; M229-V363 HydrophobicContact SD-CG1 3.97Å; M229-V363 HydrophobicContact SD-CG2 4.37Å; M229-L367 HydrophobicContact CE-CD2 4.07Å; M229-L367 HydrophobicContact CE-CG 4.08Å; M229-I377 HydrophobicContact CB-CG2 3.73Å; M229-I377 HydrophobicContact CE-CD1 4.42Å; M229-I377 HydrophobicContact CE-CG1 4.17Å; M229-Q379 PolarHBondContact N-O 3.01Å; M229-V380 HydrophobicContact CB-CG2 4.19Å; M229-V380 HydrophobicContact CG-CG1 4.28Å; M229-V380 HydrophobicContact CG-CG2 4.5Å; M229-V380 CarbonylContact O-C 3.51Å; M229-V380 WeakPolarHBondContact O-CA 3.47Å; M229-V380 HydrophobicContact SD-CG1 4.14Å; M229-V380 HydrophobicContact SD-CG2 3.97Å; M229-I381 PolarHBondContact O-N 2.74Å; M229-V400 HydrophobicContact SD-CG1 4.5Å |
| 230 | F | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.4 | 170.8 | -64.8 | -92.1 | 0 | 0 | 0 | 108.7 | T209 A210 Y213 I228 C240 T241 V243 Y245 I381 V383 | T209-F230 HydrophobicContact CG2-CD1 3.87Å; T209-F230 HydrophobicContact CG2-CE1 4.18Å; A210-F230 HydrophobicContact CB-CD2 4.19Å; A210-F230 HydrophobicContact CB-CE2 3.82Å; A210-F230 HydrophobicContact CB-CZ 4.16Å; Y213-F230 AromaticContact CD1-CZ 3.94Å; Y213-F230 HydrophobicContact CD1-CZ 3.94Å; Y213-F230 HydrophobicContact CD2-CE1 4.4Å; Y213-F230 HydrophobicContact CD2-CZ 4.35Å; Y213-F230 HydrophobicContact CG-CE1 4.16Å; Y213-F230 AromaticContact CG-CZ 3.8Å; Y213-F230 HydrophobicContact CG-CZ 3.8Å; I228-F230 HydrophobicContact CB-CE2 4.05Å; I228-F230 HydrophobicContact CG2-CD2 4.25Å; I228-F230 HydrophobicContact CG2-CE2 3.65Å; I228-F230 HydrophobicContact CG2-CZ 3.8Å; F230-C240 CarbonylContact O-C 3.54Å; F230-C240 WeakPolarHBondContact O-CA 3.44Å; F230-T241 PolarHBondContact N-O 3.09Å; F230-T241 PolarHBondContact O-N 3.07Å; F230-V243 HydrophobicContact CD2-CB 4.45Å; F230-V243 HydrophobicContact CD2-CG2 3.77Å; F230-V243 HydrophobicContact CE2-CB 4.21Å; F230-V243 HydrophobicContact CE2-CG2 3.95Å; F230-Y245 HydrophobicContact CE2-CE2 4.2Å; F230-Y245 WeakPolarHBondContact CE2-OH 3.35Å; F230-Y245 HydrophobicContact CZ-CE2 4.45Å; F230-Y245 VanDerWaalsContact CZ-OH 3.31Å; F230-Y245 WeakPolarHBondContact CZ-OH 3.29Å; F230-I381 HydrophobicContact CD1-CB 4.08Å; F230-I381 HydrophobicContact CD1-CG2 4.18Å; F230-I381 HydrophobicContact CE1-CB 4.21Å; F230-I381 HydrophobicContact CE1-CD1 3.91Å; F230-I381 HydrophobicContact CE1-CG2 4.21Å; F230-I381 HydrophobicContact CZ-CD1 4.15Å; F230-V383 HydrophobicContact CB-CG2 4.38Å; F230-V383 HydrophobicContact CD1-CG2 4.18Å |
| 231 | Y | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 103.1 | 176.8 | -173.2 | -82.6 | 0 | 0 | 0 | 109 | M233 T238 C240 V359 P362 V363 I381 V383 T387 L396 | Y231-M233 HydrophobicContact CE1-CB 4Å; Y231-T238 HydrophobicContact CE1-CG2 3.96Å; Y231-T238 HydrophobicContact CE2-CG2 4Å; Y231-T238 WeakPolarHBondContact OH-CG2 3.4Å; Y231-C240 HydrophobicContact CD2-CB 4.04Å; Y231-V359 WeakPolarHBondContact OH-CG1 2.91Å; Y231-V359 PolarHBondContact OH-O 3.15Å; Y231-P362 HydrophobicContact CE2-CB 4.36Å; Y231-V363 HydrophobicContact CD2-CG2 3.8Å; Y231-V363 HydrophobicContact CE2-CG2 3.85Å; Y231-I381 PolarHBondContact N-O 3.09Å; Y231-V383 PolarHBondContact O-N 3.35Å; Y231-T387 HydrophobicContact CD1-CG2 3.98Å; Y231-T387 HydrophobicContact CE1-CG2 4.25Å; Y231-L396 HydrophobicContact CD1-CD1 4.41Å; Y231-L396 HydrophobicContact CD1-CD2 3.48Å; Y231-L396 VanDerWaalsContact CD1-CD2 3.48Å; Y231-L396 HydrophobicContact CD2-CD1 3.71Å; Y231-L396 HydrophobicContact CD2-CD2 4.19Å; Y231-L396 HydrophobicContact CE1-CD1 4.41Å; Y231-L396 HydrophobicContact CE1-CD2 3.83Å; Y231-L396 HydrophobicContact CE2-CD1 3.71Å; Y231-L396 HydrophobicContact CE2-CD2 4.49Å; Y231-L396 HydrophobicContact CG-CD1 4.08Å; Y231-L396 HydrophobicContact CG-CD2 3.68Å |
| 232 | D | 98.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 21 Ų | 21 | 15% | 0.15 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122.2 | 173.6 | -166.1 | -38.5 | 0 | 0 | 0 | 109.6 | G234 T238 V239 V383 G384 | D232-G234 PolarHBondContact OD1-N 3.41Å; D232-T238 CarbonylContact O-C 3.25Å; D232-T238 VanDerWaalsContact O-CA 3.27Å; D232-T238 WeakPolarHBondContact O-CA 3.26Å; D232-T238 WeakPolarHBondContact O-CG2 3.44Å; D232-V239 PolarHBondContact N-O 3.34Å; D232-V239 PolarHBondContact O-N 2.93Å; D232-V383 WeakPolarHBondContact CA-O 3.48Å; D232-V383 HydrophobicContact CB-CB 3.83Å; D232-V383 HydrophobicContact CB-CG1 4.21Å; D232-V383 VanDerWaalsContact OD2-CG1 3.32Å; D232-V383 WeakPolarHBondContact OD2-CG1 3.2Å; D232-G384 WeakPolarHBondContact OD1-CA 3.43Å |
| 233 | M | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 95.8 | 162.2 | -169 | 175.1 | 175 | 0 | 0 | 109.2 | Y231 T238 L270 M275 V383 G384 G385 A386 T387 V392 | Y231-M233 HydrophobicContact CE1-CB 4Å; M233-T238 HydrophobicContact CB-CG2 4.33Å; M233-T238 HydrophobicContact CG-CG2 4.44Å; M233-T238 WeakPolarHBondContact CG-OG1 3.2Å; M233-L270 HydrophobicContact CE-CD1 3.78Å; M233-L270 HydrophobicContact CE-CG 3.82Å; M233-M275 HydrophobicContact CE-CE 3.45Å; M233-M275 VanDerWaalsContact CE-CE 3.45Å; M233-V383 PolarHBondContact N-O 2.97Å; M233-G384 CarbonylContact O-C 3.48Å; M233-G384 VanDerWaalsContact O-C 3.26Å; M233-G385 PolarHBondContact O-N 3.14Å; M233-A386 HydrophobicContact CB-CB 4.5Å; M233-A386 HydrophobicContact CE-CB 4.34Å; M233-A386 HydrophobicContact CG-CB 3.95Å; M233-A386 WeakPolarHBondContact O-CB 3.27Å; M233-A386 PolarHBondContact O-N 3.29Å; M233-A386 HydrophobicContact SD-CB 4.34Å; M233-T387 HydrophobicContact CB-CG2 3.65Å; M233-V392 HydrophobicContact CE-CG2 4.47Å; M233-V392 HydrophobicContact SD-CB 4.48Å; M233-V392 HydrophobicContact SD-CG1 3.66Å; M233-V392 HydrophobicContact SD-CG2 3.92Å |
| 234 | G | 96.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 12.9 Ų | 12.9 | 16% | 0.155 | 8% | 0.083 | C | C | . | . | trans | -81 | -158.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | D232 S237 G271 G272 A386 | D232-G234 PolarHBondContact OD1-N 3.41Å; G234-S237 PolarHBondContact N-O 3.44Å; G234-S237 VanDerWaalsContact N-O 3.07Å; G234-G271 WeakPolarHBondContact O-CA 3.45Å; G234-G272 PolarHBondContact O-N 3.01Å; G234-A386 WeakPolarHBondContact O-CB 3.39Å | ||
| 235 | S | 96.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 8.8 Ų | 8.8 | 7% | 0.07 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -85.4 | -38.5 | 176.1 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | E43 Y99 G271 G272 L273 | E43-S235 WeakPolarHBondContact CB-OG 3.45Å; E43-S235 PolarHBondContact N-OG 3.04Å; Y99-S235 WeakPolarHBondContact OH-CB 3.39Å; S235-G271 CarbonylContact O-C 3.22Å; S235-G271 VanDerWaalsContact O-C 3.25Å; S235-G271 WeakPolarHBondContact O-CA 3.4Å; S235-G272 PolarHBondContact O-N 3.45Å; S235-G272 VanDerWaalsContact O-N 3.13Å; S235-L273 VanDerWaalsContact O-CB 3.26Å; S235-L273 WeakPolarHBondContact O-CB 3.5Å; S235-L273 PolarHBondContact O-N 2.95Å |
| 236 | G | 95.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 8.9 Ų | 8.9 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -92.8 | -30.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | T269 | G236-T269 CarbonylContact O-C 3.58Š|
| 237 | S | 97.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 9.3 Ų | 9.3 | 10% | 0.098 | 5% | 0.053 | C | C | . | . | trans | -156.9 | 166.3 | -167.4 | 54 | 0 | 0 | 0 | 0 | 112.8 | F179 G234 D267 L270 | F179-S237 WeakPolarHBondContact CZ-OG 3.28Å; G234-S237 PolarHBondContact N-O 3.44Å; G234-S237 VanDerWaalsContact N-O 3.07Å; S237-D267 WeakPolarHBondContact CA-O 3.42Å; S237-D267 WeakPolarHBondContact CB-O 3.43Å; S237-L270 CarbonylContact C-O 3.43Å; S237-L270 WeakPolarHBondContact CA-O 3.44Å | ||
| 238 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.5 | 175.5 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | Y231 D232 M233 F266 D267 L270 P362 | Y231-T238 HydrophobicContact CE1-CG2 3.96Å; Y231-T238 HydrophobicContact CE2-CG2 4Å; Y231-T238 WeakPolarHBondContact OH-CG2 3.4Å; D232-T238 CarbonylContact O-C 3.25Å; D232-T238 VanDerWaalsContact O-CA 3.27Å; D232-T238 WeakPolarHBondContact O-CA 3.26Å; D232-T238 WeakPolarHBondContact O-CG2 3.44Å; M233-T238 HydrophobicContact CB-CG2 4.33Å; M233-T238 HydrophobicContact CG-CG2 4.44Å; M233-T238 WeakPolarHBondContact CG-OG1 3.2Å; T238-F266 CarbonylContact O-C 3.46Å; T238-F266 VanDerWaalsContact O-CA 3.24Å; T238-F266 WeakPolarHBondContact O-CA 3.47Å; T238-F266 WeakPolarHBondContact O-CB 3.24Å; T238-D267 PolarHBondContact N-O 2.89Å; T238-D267 PolarHBondContact O-N 2.99Å; T238-L270 PolarHBondContact N-O 2.65Å; T238-L270 WeakPolarHBondContact OG1-CG 3.49Å; T238-L270 PolarHBondContact OG1-O 2.86Å; T238-P362 HydrophobicContact CG2-CB 4.28Å; T238-P362 HydrophobicContact CG2-CG 3.81Å |
| 239 | V | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 124.8 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | V178 F179 N206 D232 F266 | V178-V239 HydrophobicContact CB-CG1 4.44Å; V178-V239 HydrophobicContact CG1-CG1 3.43Å; V178-V239 VanDerWaalsContact CG1-CG1 3.43Å; V178-V239 HydrophobicContact CG1-CG2 4.31Å; F179-V239 HydrophobicContact CD1-CG2 4.04Å; F179-V239 HydrophobicContact CE1-CG2 3.85Å; N206-V239 WeakPolarHBondContact ND2-CG1 3.35Å; N206-V239 PolarHBondContact ND2-O 3.37Å; N206-V239 VanDerWaalsContact ND2-O 3.12Å; D232-V239 PolarHBondContact N-O 3.34Å; D232-V239 PolarHBondContact O-N 2.93Å; V239-F266 HydrophobicContact CG2-CB 4.33Å |
| 240 | C | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132 | 170.9 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | M229 F230 Y231 V264 G265 P362 A366 | M229-C240 VanDerWaalsContact CG-SG 3.53Å; M229-C240 VanDerWaalsContact SD-SG 3.65Å; F230-C240 CarbonylContact O-C 3.54Å; F230-C240 WeakPolarHBondContact O-CA 3.44Å; Y231-C240 HydrophobicContact CD2-CB 4.04Å; C240-V264 WeakPolarHBondContact O-CA 3.28Å; C240-G265 PolarHBondContact N-O 3.13Å; C240-G265 PolarHBondContact O-N 2.86Å; C240-P362 HydrophobicContact CB-CB 3.71Å; C240-P362 WeakPolarHBondContact CB-O 2.99Å; C240-A366 HydrophobicContact CB-CB 4.07Å |
| 241 | T | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 121.2 | -173.7 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | N206 M229 F230 V243 I261 G263 V264 | N206-T241 HydrophobicContact CB-CG2 4.21Å; N206-T241 WeakPolarHBondContact CB-OG1 3.34Å; N206-T241 PolarHBondContact ND2-OG1 3.16Å; M229-T241 WeakPolarHBondContact CA-O 3.02Å; F230-T241 PolarHBondContact N-O 3.09Å; F230-T241 PolarHBondContact O-N 3.07Å; T241-V243 HydrophobicContact CG2-CG2 4.08Å; T241-I261 HydrophobicContact CG2-CD1 3.93Å; T241-I261 HydrophobicContact CG2-CG2 3.77Å; T241-G263 WeakPolarHBondContact CA-O 3.43Å; T241-V264 HydrophobicContact CG2-CG2 4.43Å |
| 242 | I | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.2 | 176.6 | -61 | 168.2 | 0 | 0 | 0 | 108.8 | M229 R262 G263 A366 L367 A370 M372 I377 | M229-I242 HydrophobicContact CB-CG1 4.45Å; M229-I242 HydrophobicContact CE-CD1 3.9Å; M229-I242 HydrophobicContact CE-CG1 3.84Å; M229-I242 HydrophobicContact CG-CG1 4.38Å; I242-R262 HydrophobicContact CB-CB 4.41Å; I242-R262 HydrophobicContact CG2-CB 4.13Å; I242-R262 PolarHBondContact O-N 3.37Å; I242-G263 PolarHBondContact N-O 3.07Å; I242-A366 HydrophobicContact CD1-CB 4.03Å; I242-A366 HydrophobicContact CG1-CB 4.16Å; I242-L367 HydrophobicContact CD1-CD2 3.78Å; I242-L367 HydrophobicContact CD1-CG 4.12Å; I242-A370 HydrophobicContact CD1-CB 3.99Å; I242-M372 HydrophobicContact CG2-CE 4.45Å; I242-M372 HydrophobicContact CG2-SD 3.98Å; I242-I377 HydrophobicContact CD1-CD1 4.06Å; I242-I377 HydrophobicContact CG1-CD1 4.17Å; I242-I377 HydrophobicContact CG2-CD1 3.74Å |
| 243 | V | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 123.2 | -173.3 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | A210 N227 I228 F230 T241 Y245 L259 Q260 I261 | A210-V243 HydrophobicContact CB-CG1 4.33Å; A210-V243 HydrophobicContact CB-CG2 4.03Å; N227-V243 WeakPolarHBondContact CA-O 3.25Å; I228-V243 PolarHBondContact N-O 2.86Å; I228-V243 PolarHBondContact O-N 3.43Å; F230-V243 HydrophobicContact CD2-CB 4.45Å; F230-V243 HydrophobicContact CD2-CG2 3.77Å; F230-V243 HydrophobicContact CE2-CB 4.21Å; F230-V243 HydrophobicContact CE2-CG2 3.95Å; T241-V243 HydrophobicContact CG2-CG2 4.08Å; V243-Y245 HydrophobicContact CB-CE2 4.19Å; V243-Y245 HydrophobicContact CG1-CD2 4.37Å; V243-Y245 HydrophobicContact CG1-CE1 4.32Å; V243-Y245 HydrophobicContact CG1-CE2 3.89Å; V243-L259 HydrophobicContact CG1-CB 3.84Å; V243-L259 HydrophobicContact CG1-CD1 4.18Å; V243-Q260 WeakPolarHBondContact CA-O 3.47Å; V243-I261 HydrophobicContact CB-CD1 4.5Å; V243-I261 HydrophobicContact CG1-CD1 4.27Å; V243-I261 HydrophobicContact CG2-CD1 3.63Å |
| 244 | T | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126 | 166.4 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | A225 Q226 N227 Q246 L259 Q260 R262 | A225-T244 HydrophobicContact CB-CG2 3.63Å; Q226-T244 CarbonylContact O-C 3.57Å; Q226-T244 WeakPolarHBondContact O-CA 3.15Å; N227-T244 PolarHBondContact OD1-OG1 3.13Å; T244-Q246 HydrophobicContact CG2-CG 4.29Å; T244-L259 CarbonylContact O-C 3.53Å; T244-L259 WeakPolarHBondContact O-CA 3.24Å; T244-Q260 PolarHBondContact N-O 2.95Å; T244-Q260 PolarHBondContact O-N 3.11Å; T244-R262 VanDerWaalsContact OG1-CG 3.26Å; T244-R262 WeakPolarHBondContact OG1-CG 3.21Å; T244-R262 PolarHBondContact OG1-NE 2.96Å |
| 245 | Y | 98.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 137.4 | 163 | -60.3 | -87.5 | 0 | 0 | 0 | 110.4 | A210 Y213 I221 Q226 I228 F230 V243 Q258 L259 F435 | A210-Y245 VanDerWaalsContact CA-OH 3.25Å; A210-Y245 WeakPolarHBondContact CA-OH 3.27Å; A210-Y245 VanDerWaalsContact CB-OH 3.3Å; A210-Y245 WeakPolarHBondContact CB-OH 3.39Å; A210-Y245 PolarHBondContact O-OH 3.29Å; Y213-Y245 HydrophobicContact CD1-CE1 4.35Å; Y213-Y245 AromaticContact CD1-CE2 3.86Å; Y213-Y245 HydrophobicContact CD1-CE2 3.86Å; Y213-Y245 AromaticContact CD1-CZ 3.65Å; Y213-Y245 WeakPolarHBondContact CD1-OH 3.36Å; Y213-Y245 AromaticContact CE1-CE2 3.98Å; Y213-Y245 HydrophobicContact CE1-CE2 3.98Å; I221-Y245 HydrophobicContact CD1-CD1 3.85Å; I221-Y245 HydrophobicContact CD1-CG 4.35Å; Q226-Y245 PolarHBondContact N-O 3.28Å; Q226-Y245 PolarHBondContact O-N 3.04Å; I228-Y245 HydrophobicContact CB-CD2 4.42Å; I228-Y245 HydrophobicContact CB-CE2 3.96Å; I228-Y245 HydrophobicContact CG1-CD2 3.83Å; I228-Y245 HydrophobicContact CG1-CE2 3.75Å; F230-Y245 HydrophobicContact CE2-CE2 4.2Å; F230-Y245 WeakPolarHBondContact CE2-OH 3.35Å; F230-Y245 HydrophobicContact CZ-CE2 4.45Å; F230-Y245 VanDerWaalsContact CZ-OH 3.31Å; F230-Y245 WeakPolarHBondContact CZ-OH 3.29Å; V243-Y245 HydrophobicContact CB-CE2 4.19Å; V243-Y245 HydrophobicContact CG1-CD2 4.37Å; V243-Y245 HydrophobicContact CG1-CE1 4.32Å; V243-Y245 HydrophobicContact CG1-CE2 3.89Å; Y245-Q258 WeakPolarHBondContact CA-O 3.49Å; Y245-L259 HydrophobicContact CD1-CB 3.75Å; Y245-L259 HydrophobicContact CE1-CB 3.58Å; Y245-L259 HydrophobicContact CE1-CD2 4.4Å; Y245-F435 HydrophobicContact CD1-CZ 4.3Å; Y245-F435 HydrophobicContact CE1-CZ 4.47Å |
| 246 | Q | 97.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 153.7 | 177.6 | 52.7 | 176.8 | 13.5 | 0 | 0 | 111.6 | N222 T244 V248 Q258 | N222-Q246 CarbonylContact O-C 3.59Å; N222-Q246 WeakPolarHBondContact O-CA 3.25Å; T244-Q246 HydrophobicContact CG2-CG 4.29Å; Q246-V248 HydrophobicContact CG-CG1 3.89Å; Q246-Q258 HydrophobicContact CG-CB 4.49Å; Q246-Q258 PolarHBondContact N-O 2.98Å; Q246-Q258 VanDerWaalsContact N-O 3.11Å; Q246-Q258 WeakPolarHBondContact O-CB 3.35Å; Q246-Q258 PolarHBondContact O-N 2.85Å |
| 247 | M | 96.8 | Very high | 93.1 | Very high | 50 Ų | 50 | 46 Ų | 46 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 117.9 | 171.1 | -70.6 | -65 | -67.7 | 0 | 0 | 110.7 | I221 N222 T223 M255 P257 | I221-M247 HydrophobicContact CG2-CG 4.21Å; I221-M247 HydrophobicContact CG2-SD 4.35Å; I221-M247 VanDerWaalsContact O-CG 3.32Å; I221-M247 WeakPolarHBondContact O-CG 3.29Å; N222-M247 PolarHBondContact O-N 3.16Å; T223-M247 HydrophobicContact CG2-CB 4.29Å; M247-M255 HydrophobicContact CB-CE 4.01Å; M247-M255 HydrophobicContact CE-CB 4.03Å; M247-M255 WeakPolarHBondContact O-CE 3.46Å; M247-P257 VanDerWaalsContact SD-CA 3.54Å; M247-P257 HydrophobicContact SD-CB 3.83Å; M247-P257 HydrophobicContact SD-CG 4.47Å; M247-P257 VanDerWaalsContact SD-N 3.37Å |
| 248 | V | 94.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 46.3 Ų | 46.3 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149 | -177.5 | -58 | 0 | 0 | 0 | 0 | 112.9 | Q246 T250 M255 Q256 Q258 V436 | Q246-V248 HydrophobicContact CG-CG1 3.89Å; V248-T250 HydrophobicContact CG2-CG2 4.5Å; V248-T250 PolarHBondContact O-N 2.97Å; V248-M255 WeakPolarHBondContact O-CA 3.38Å; V248-Q256 PolarHBondContact N-O 3.36Å; V248-Q256 PolarHBondContact O-N 2.92Å; V248-Q258 HydrophobicContact CB-CB 4.49Å; V248-Q258 HydrophobicContact CG1-CB 3.91Å; V248-Q258 HydrophobicContact CG1-CG 4.47Å; V248-Q258 HydrophobicContact CG2-CB 3.76Å; V248-V436 HydrophobicContact CG2-CG2 4.33Å |
| 249 | K | 91.8 | Very high | 93.1 | Very high | 184 Ų | 184 | 46.3 Ų | 46.3 | 80% | 0.8 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 103.9 | 176.2 | -166.8 | 176.5 | -177.4 | 176.7 | 0 | 111.2 | M255 | K249-M255 HydrophobicContact CB-SD 3.74Å; K249-M255 HydrophobicContact CG-SD 4.29Å |
| 250 | T | 87.1 | Confident | 93.1 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 157.5 | 169.5 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | V248 A253 G254 Q256 V436 | V248-T250 HydrophobicContact CG2-CG2 4.5Å; V248-T250 PolarHBondContact O-N 2.97Å; T250-A253 WeakPolarHBondContact OG1-CA 3.49Å; T250-A253 PolarHBondContact OG1-N 3.33Å; T250-A253 VanDerWaalsContact OG1-N 3.12Å; T250-G254 PolarHBondContact N-O 2.99Å; T250-G254 PolarHBondContact OG1-N 3.32Å; T250-G254 PolarHBondContact OG1-O 3.17Å; T250-Q256 HydrophobicContact CG2-CB 3.97Å; T250-Q256 HydrophobicContact CG2-CG 4.04Å; T250-V436 HydrophobicContact CG2-CG2 3.76Å |
| 251 | K | 82.3 | Confident | 93.1 | Very high | 209 Ų | 209 | 47.9 Ų | 47.9 | 91% | 0.909 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -36.5 | 175.9 | -69.9 | -176.1 | 178.9 | 179.3 | 0 | 112.9 | ||
| 252 | E | 74.3 | Confident | 93 | Very high | 190 Ų | 190 | 52.2 Ų | 52.2 | 89% | 0.888 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -29.2 | -169.8 | -68.6 | 134.2 | -126.1 | 0 | 0 | 113.8 | ||
| 253 | A | 72.4 | Confident | 93 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 13.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T250 Q256 P434 | T250-A253 WeakPolarHBondContact OG1-CA 3.49Å; T250-A253 PolarHBondContact OG1-N 3.33Å; T250-A253 VanDerWaalsContact OG1-N 3.12Å; A253-Q256 HydrophobicContact CB-CG 3.82Å; A253-Q256 PolarHBondContact O-NE2 3.02Å; A253-P434 HydrophobicContact CB-CG 4.35Å |
| 254 | G | 87 | Confident | 93 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.3 | -142.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T250 Q256 | T250-G254 PolarHBondContact N-O 2.99Å; T250-G254 PolarHBondContact OG1-N 3.32Å; T250-G254 PolarHBondContact OG1-O 3.17Å; G254-Q256 PolarHBondContact O-N 3.19Å |
| 255 | M | 92.7 | Very high | 93 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 45% | 0.453 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 119.7 | 177.7 | -64.9 | -62.7 | -75.9 | 0 | 0 | 110.4 | T223 M247 V248 K249 | T223-M255 HydrophobicContact CG2-CE 3.87Å; M247-M255 HydrophobicContact CB-CE 4.01Å; M247-M255 HydrophobicContact CE-CB 4.03Å; M247-M255 WeakPolarHBondContact O-CE 3.46Å; V248-M255 WeakPolarHBondContact O-CA 3.38Å; K249-M255 HydrophobicContact CB-SD 3.74Å; K249-M255 HydrophobicContact CG-SD 4.29Å |
| 256 | Q | 95 | Very high | 93 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 16% | 0.164 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.6 | 178.9 | -65.2 | -60.5 | -33.3 | 0 | 0 | 110.4 | V248 T250 A253 G254 P434 V436 | V248-Q256 PolarHBondContact N-O 3.36Å; V248-Q256 PolarHBondContact O-N 2.92Å; T250-Q256 HydrophobicContact CG2-CB 3.97Å; T250-Q256 HydrophobicContact CG2-CG 4.04Å; A253-Q256 HydrophobicContact CB-CG 3.82Å; A253-Q256 PolarHBondContact O-NE2 3.02Å; G254-Q256 PolarHBondContact O-N 3.19Å; Q256-P434 HydrophobicContact CG-CB 4.24Å; Q256-P434 PolarHBondContact OE1-O 3.19Å; Q256-P434 VanDerWaalsContact OE1-O 3.11Å; Q256-V436 HydrophobicContact CB-CG2 4.27Å |
| 257 | P | 96.9 | Very high | 93 | Very high | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 139.6 | 173.5 | 30.1 | -35.8 | 0 | 0 | 0 | 110 | R218 I221 M247 F435 V436 | R218-P257 HydrophobicContact CG-CG 4.29Å; I221-P257 HydrophobicContact CB-CB 4.47Å; I221-P257 HydrophobicContact CD1-CB 3.96Å; I221-P257 HydrophobicContact CG2-CB 4.17Å; M247-P257 VanDerWaalsContact SD-CA 3.54Å; M247-P257 HydrophobicContact SD-CB 3.83Å; M247-P257 HydrophobicContact SD-CG 4.47Å; M247-P257 VanDerWaalsContact SD-N 3.37Å; P257-F435 HydrophobicContact CB-CD2 4.03Å; P257-F435 HydrophobicContact CB-CE2 3.65Å; P257-F435 HydrophobicContact CB-CZ 3.99Å; P257-F435 HydrophobicContact CG-CD2 3.54Å; P257-F435 HydrophobicContact CG-CE2 3.67Å; P257-F435 HydrophobicContact CG-CG 4.17Å; P257-F435 HydrophobicContact CG-CZ 4.41Å; P257-V436 PolarHBondContact O-N 3.48Å |
| 258 | Q | 96.9 | Very high | 93 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 143.5 | 172.3 | 172.9 | 173.3 | 84.8 | 0 | 0 | 109.4 | Y245 Q246 V248 Q260 V436 | Y245-Q258 WeakPolarHBondContact CA-O 3.49Å; Q246-Q258 HydrophobicContact CG-CB 4.49Å; Q246-Q258 PolarHBondContact N-O 2.98Å; Q246-Q258 VanDerWaalsContact N-O 3.11Å; Q246-Q258 WeakPolarHBondContact O-CB 3.35Å; Q246-Q258 PolarHBondContact O-N 2.85Å; V248-Q258 HydrophobicContact CB-CB 4.49Å; V248-Q258 HydrophobicContact CG1-CB 3.91Å; V248-Q258 HydrophobicContact CG1-CG 4.47Å; V248-Q258 HydrophobicContact CG2-CB 3.76Å; Q258-Q260 HydrophobicContact CG-CB 4.47Å; Q258-V436 CarbonylContact C-O 3.59Å; Q258-V436 VanDerWaalsContact CA-O 3.25Å; Q258-V436 WeakPolarHBondContact CA-O 3.47Å; Q258-V436 HydrophobicContact CB-CB 3.97Å; Q258-V436 HydrophobicContact CB-CG1 4.44Å; Q258-V436 HydrophobicContact CG-CB 4.23Å; Q258-V436 HydrophobicContact CG-CG1 4.22Å |
| 259 | L | 98 | Very high | 93 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 136.6 | 152.2 | 75.6 | 89 | 0 | 0 | 0 | 108.1 | T207 A210 L211 V243 T244 Y245 I261 F435 V436 V437 R438 | T207-L259 HydrophobicContact CG2-CD1 4.17Å; A210-L259 HydrophobicContact CB-CD2 4.37Å; L211-L259 VanDerWaalsContact CA-CD2 3.46Å; L211-L259 HydrophobicContact CB-CD2 3.83Å; L211-L259 HydrophobicContact CD1-CD2 4.07Å; V243-L259 HydrophobicContact CG1-CB 3.84Å; V243-L259 HydrophobicContact CG1-CD1 4.18Å; T244-L259 CarbonylContact O-C 3.53Å; T244-L259 WeakPolarHBondContact O-CA 3.24Å; Y245-L259 HydrophobicContact CD1-CB 3.75Å; Y245-L259 HydrophobicContact CE1-CB 3.58Å; Y245-L259 HydrophobicContact CE1-CD2 4.4Å; L259-I261 HydrophobicContact CD1-CD1 3.99Å; L259-F435 HydrophobicContact CB-CE1 3.94Å; L259-F435 HydrophobicContact CD2-CD1 4.41Å; L259-F435 HydrophobicContact CD2-CE1 3.85Å; L259-F435 HydrophobicContact CG-CE1 4.08Å; L259-V436 PolarHBondContact N-O 2.88Å; L259-V437 HydrophobicContact CD1-CG1 4.29Å; L259-V437 HydrophobicContact CD2-CG2 4.43Å; L259-R438 PolarHBondContact O-N 2.83Å |
| 260 | Q | 98.3 | Very high | 93.3 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 124.2 | 170.8 | 177.8 | 172.5 | -12.2 | 0 | 0 | 109.6 | V243 T244 Q258 R438 | V243-Q260 WeakPolarHBondContact CA-O 3.47Å; T244-Q260 PolarHBondContact N-O 2.95Å; T244-Q260 PolarHBondContact O-N 3.11Å; Q258-Q260 HydrophobicContact CG-CB 4.47Å; Q260-R438 WeakPolarHBondContact CA-O 3.32Å; Q260-R438 HydrophobicContact CB-CB 4.11Å; Q260-R438 HydrophobicContact CG-CB 4.04Å |
| 261 | I | 98.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 130.5 | 170.5 | -50.6 | -54.5 | 0 | 0 | 0 | 108.5 | T207 T241 V243 L259 V264 R438 D439 A440 | T207-I261 HydrophobicContact CG2-CD1 4.37Å; T241-I261 HydrophobicContact CG2-CD1 3.93Å; T241-I261 HydrophobicContact CG2-CG2 3.77Å; V243-I261 HydrophobicContact CB-CD1 4.5Å; V243-I261 HydrophobicContact CG1-CD1 4.27Å; V243-I261 HydrophobicContact CG2-CD1 3.63Å; L259-I261 HydrophobicContact CD1-CD1 3.99Å; I261-V264 HydrophobicContact CG2-CG2 3.82Å; I261-R438 PolarHBondContact N-O 2.96Å; I261-D439 HydrophobicContact CG1-CB 4.5Å; I261-A440 HydrophobicContact CB-CB 3.8Å; I261-A440 HydrophobicContact CG2-CB 3.71Å |
| 262 | R | 98.5 | Very high | 94.5 | Very high | 93 Ų | 93 | 30 Ų | 30 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -47 | -176.9 | -67.2 | -57.5 | -160.2 | 149.2 | 7.8 | 113.1 | I242 T244 A370 M372 | I242-R262 HydrophobicContact CB-CB 4.41Å; I242-R262 HydrophobicContact CG2-CB 4.13Å; I242-R262 PolarHBondContact O-N 3.37Å; T244-R262 VanDerWaalsContact OG1-CG 3.26Å; T244-R262 WeakPolarHBondContact OG1-CG 3.21Å; T244-R262 PolarHBondContact OG1-NE 2.96Å; R262-A370 HydrophobicContact CB-CB 4.04Å; R262-A370 WeakPolarHBondContact O-CA 3.35Å; R262-M372 HydrophobicContact CB-SD 4.41Å |
| 263 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T241 I242 A366 S369 | T241-G263 WeakPolarHBondContact CA-O 3.43Å; I242-G263 PolarHBondContact N-O 3.07Å; G263-A366 WeakPolarHBondContact CA-O 3.42Å; G263-S369 WeakPolarHBondContact CA-OG 3.37Å |
| 264 | V | 98.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.036 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 128.2 | -175.8 | 176.6 | 0 | 0 | 0 | 0 | 109 | V178 C240 T241 I261 F266 S369 V442 M473 | V178-V264 HydrophobicContact CB-CG1 4.37Å; V178-V264 HydrophobicContact CG1-CG1 3.49Å; V178-V264 VanDerWaalsContact CG1-CG1 3.49Å; V178-V264 HydrophobicContact CG2-CG1 3.91Å; V178-V264 HydrophobicContact CG2-CG2 4.13Å; C240-V264 WeakPolarHBondContact O-CA 3.28Å; T241-V264 HydrophobicContact CG2-CG2 4.43Å; I261-V264 HydrophobicContact CG2-CG2 3.82Å; V264-F266 HydrophobicContact CG1-CD1 4.29Å; V264-S369 PolarHBondContact N-OG 3.01Å; V264-S369 PolarHBondContact O-OG 3.4Å; V264-S369 VanDerWaalsContact O-OG 3.07Å; V264-V442 HydrophobicContact CB-CG2 4.44Å; V264-V442 HydrophobicContact CG1-CG2 4.21Å; V264-V442 HydrophobicContact CG2-CG2 4.46Å; V264-M473 HydrophobicContact CB-CE 4.25Å; V264-M473 HydrophobicContact CB-SD 4.44Å; V264-M473 HydrophobicContact CG2-CE 4.22Å; V264-M473 HydrophobicContact CG2-SD 4.23Å |
| 265 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | C240 P362 Q365 | C240-G265 PolarHBondContact N-O 3.13Å; C240-G265 PolarHBondContact O-N 2.86Å; G265-P362 WeakPolarHBondContact CA-O 3.33Å; G265-Q365 VanDerWaalsContact CA-CB 3.47Å |
| 266 | F | 98.2 | Very high | 97.7 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 4% | 0.035 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 162.6 | -175.8 | 58 | -99.8 | 0 | 0 | 0 | 113.2 | F179 T238 V239 V264 R268 Q365 V442 Y443 L503 | F179-F266 HydrophobicContact CB-CD1 3.8Å; F179-F266 HydrophobicContact CB-CD2 3.95Å; F179-F266 HydrophobicContact CB-CE1 3.77Å; F179-F266 HydrophobicContact CB-CE2 3.93Å; F179-F266 HydrophobicContact CB-CG 3.89Å; F179-F266 HydrophobicContact CB-CZ 3.83Å; F179-F266 HydrophobicContact CD1-CB 3.85Å; F179-F266 HydrophobicContact CD1-CD1 4.46Å; F179-F266 HydrophobicContact CD1-CD2 4.07Å; F179-F266 AromaticContact CD1-CG 3.88Å; F179-F266 HydrophobicContact CD1-CG 3.88Å; F179-F266 HydrophobicContact CG-CD2 4.25Å; F179-F266 HydrophobicContact CG-CG 4.29Å; T238-F266 CarbonylContact O-C 3.46Å; T238-F266 VanDerWaalsContact O-CA 3.24Å; T238-F266 WeakPolarHBondContact O-CA 3.47Å; T238-F266 WeakPolarHBondContact O-CB 3.24Å; V239-F266 HydrophobicContact CG2-CB 4.33Å; V264-F266 HydrophobicContact CG1-CD1 4.29Å; F266-R268 HydrophobicContact CD2-CG 3.72Å; F266-R268 HydrophobicContact CE2-CG 3.84Å; F266-Q365 PolarHBondContact O-NE2 3.42Å; F266-Q365 PolarHBondContact O-OE1 2.86Å; F266-V442 HydrophobicContact CE1-CG1 4.12Å; F266-Y443 WeakPolarHBondContact CZ-OH 3.25Å; F266-L503 HydrophobicContact CE2-CD2 4.35Å; F266-L503 HydrophobicContact CZ-CD2 3.76Å |
| 267 | D | 97.9 | Very high | 97.9 | Very high | 27 Ų | 27 | 14.3 Ų | 14.3 | 14% | 0.144 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 119.5 | 162.8 | -178.8 | -38.8 | 0 | 0 | 0 | 107.7 | S237 T238 T269 L270 R358 P362 | S237-D267 WeakPolarHBondContact CA-O 3.42Å; S237-D267 WeakPolarHBondContact CB-O 3.43Å; T238-D267 PolarHBondContact N-O 2.89Å; T238-D267 PolarHBondContact O-N 2.99Å; D267-T269 PolarHBondContact O-N 2.92Å; D267-T269 PolarHBondContact OD1-N 2.92Å; D267-T269 PolarHBondContact OD1-OG1 3.36Å; D267-T269 VanDerWaalsContact OD1-OG1 3.1Å; D267-L270 HydrophobicContact CB-CB 3.77Å; D267-L270 HydrophobicContact CB-CD2 4.39Å; D267-L270 PolarHBondContact OD1-N 3.16Å; D267-L270 WeakPolarHBondContact OD2-CB 3.41Å; D267-R358 IonicContact OD1-NH2 3.84Å; D267-R358 PolarHBondContact OD1-NH2 2.65Å; D267-R358 IonicContact OD2-CZ 2.64Å; D267-R358 VanDerWaalsContact OD2-CZ 3.26Å; D267-R358 IonicContact OD2-NE 2.82Å; D267-R358 PolarHBondContact OD2-NE 2.89Å; D267-R358 IonicContact OD2-NH2 3.31Å; D267-R358 PolarHBondContact OD2-NH2 2.73Å; D267-P362 HydrophobicContact CB-CG 4.25Å |
| 268 | R | 96.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 16.4 Ų | 16.4 | 5% | 0.053 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -76.8 | 1.5 | -173 | -63.4 | -171 | 55.5 | 136.9 | 2.4 | 114.1 | F179 E184 F266 | F179-R268 HydrophobicContact CB-CG 4.5Å; F179-R268 HydrophobicContact CD1-CG 4.15Å; F179-R268 HydrophobicContact CD2-CG 3.86Å; F179-R268 VanDerWaalsContact CD2-CZ 3.43Å; F179-R268 HydrophobicContact CE1-CG 4.31Å; F179-R268 HydrophobicContact CE2-CG 4.03Å; F179-R268 HydrophobicContact CG-CG 3.92Å; F179-R268 HydrophobicContact CZ-CG 4.25Å; F179-R268 PolarHBondContact O-NH1 2.95Å; E184-R268 IonicContact OE1-CZ 2.75Å; E184-R268 IonicContact OE1-NH1 3.71Å; E184-R268 PolarHBondContact OE1-NH1 3.29Å; E184-R268 IonicContact OE1-NH2 2.66Å; E184-R268 PolarHBondContact OE1-NH2 3.08Å; E184-R268 IonicContact OE2-CZ 3.22Å; E184-R268 IonicContact OE2-NH1 3.73Å; E184-R268 PolarHBondContact OE2-NH1 2.93Å; E184-R268 IonicContact OE2-NH2 3.26Å; F266-R268 HydrophobicContact CD2-CG 3.72Å; F266-R268 HydrophobicContact CE2-CG 3.84Å |
| 269 | T | 96.1 | Very high | 98 | Very high | 31 Ų | 31 | 15.4 Ų | 15.4 | 19% | 0.19 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -139.2 | -15.8 | -175.6 | 61.9 | 0 | 0 | 0 | 0 | 115.2 | L115 G236 D267 G271 R358 | L115-T269 HydrophobicContact CD2-CG2 3.71Å; G236-T269 CarbonylContact O-C 3.58Å; D267-T269 PolarHBondContact O-N 2.92Å; D267-T269 PolarHBondContact OD1-N 2.92Å; D267-T269 PolarHBondContact OD1-OG1 3.36Å; D267-T269 VanDerWaalsContact OD1-OG1 3.1Å; T269-G271 PolarHBondContact O-N 2.86Å; T269-R358 PolarHBondContact OG1-NH2 3.39Å |
| 270 | L | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -74.2 | 111.7 | 173 | 177.8 | 63.6 | 0 | 0 | 0 | 110.3 | M233 S237 T238 D267 L355 R358 V359 | M233-L270 HydrophobicContact CE-CD1 3.78Å; M233-L270 HydrophobicContact CE-CG 3.82Å; S237-L270 CarbonylContact C-O 3.43Å; S237-L270 WeakPolarHBondContact CA-O 3.44Å; T238-L270 PolarHBondContact N-O 2.65Å; T238-L270 WeakPolarHBondContact OG1-CG 3.49Å; T238-L270 PolarHBondContact OG1-O 2.86Å; D267-L270 HydrophobicContact CB-CB 3.77Å; D267-L270 HydrophobicContact CB-CD2 4.39Å; D267-L270 PolarHBondContact OD1-N 3.16Å; D267-L270 WeakPolarHBondContact OD2-CB 3.41Å; L270-L355 HydrophobicContact CD1-CB 3.72Å; L270-L355 HydrophobicContact CD1-CD2 4.19Å; L270-L355 HydrophobicContact CD1-CG 4.47Å; L270-L355 VanDerWaalsContact CD1-O 3.28Å; L270-L355 WeakPolarHBondContact CD1-O 3.37Å; L270-R358 HydrophobicContact CD1-CB 4.42Å; L270-R358 HydrophobicContact CD2-CB 3.86Å; L270-V359 HydrophobicContact CD2-CG2 4.48Å | ||
| 271 | G | 97 | Very high | 98.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -175.9 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | G234 S235 T269 L273 E274 | G234-G271 WeakPolarHBondContact O-CA 3.45Å; S235-G271 CarbonylContact O-C 3.22Å; S235-G271 VanDerWaalsContact O-C 3.25Å; S235-G271 WeakPolarHBondContact O-CA 3.4Å; T269-G271 PolarHBondContact O-N 2.86Å; G271-L273 VanDerWaalsContact C-N 3.26Å; G271-L273 PolarHBondContact O-N 3.48Å; G271-E274 WeakPolarHBondContact O-CB 3.38Å; G271-E274 PolarHBondContact O-N 3.04Å |
| 272 | G | 98 | Very high | 98 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.6 | -28.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G234 S235 E274 M275 E276 | G234-G272 PolarHBondContact O-N 3.01Å; S235-G272 PolarHBondContact O-N 3.45Å; S235-G272 VanDerWaalsContact O-N 3.13Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 PolarHBondContact O-N 3.03Å; G272-M275 WeakPolarHBondContact O-CB 3.43Å; G272-M275 PolarHBondContact O-N 3.17Å; G272-E276 WeakPolarHBondContact O-CG 3.37Å; G272-E276 PolarHBondContact O-N 2.82Å |
| 273 | L | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 174.8 | 174 | 61.6 | 0 | 0 | 0 | 111.5 | Y99 F120 S235 G271 M275 E276 L277 | Y99-L273 HydrophobicContact CD1-CD2 3.81Å; Y99-L273 HydrophobicContact CD2-CD1 4.34Å; Y99-L273 HydrophobicContact CD2-CD2 3.99Å; Y99-L273 HydrophobicContact CE1-CB 4.03Å; Y99-L273 HydrophobicContact CE1-CD2 3.83Å; Y99-L273 HydrophobicContact CE1-CG 4.37Å; Y99-L273 HydrophobicContact CE2-CD1 3.78Å; Y99-L273 HydrophobicContact CE2-CD2 4.03Å; Y99-L273 HydrophobicContact CE2-CG 4.34Å; Y99-L273 HydrophobicContact CG-CD2 3.89Å; F120-L273 HydrophobicContact CE2-CD2 4.45Å; F120-L273 HydrophobicContact CZ-CD1 4.16Å; F120-L273 HydrophobicContact CZ-CD2 4.11Å; S235-L273 VanDerWaalsContact O-CB 3.26Å; S235-L273 WeakPolarHBondContact O-CB 3.5Å; S235-L273 PolarHBondContact O-N 2.95Å; G271-L273 VanDerWaalsContact C-N 3.26Å; G271-L273 PolarHBondContact O-N 3.48Å; L273-M275 PolarHBondContact O-N 3.02Å; L273-E276 WeakPolarHBondContact O-CB 3.49Å; L273-E276 PolarHBondContact O-N 3.2Å; L273-E276 VanDerWaalsContact O-N 3.14Å; L273-L277 HydrophobicContact CD1-CD1 4.01Å; L273-L277 HydrophobicContact CD1-CD2 4.42Å; L273-L277 HydrophobicContact CD1-CG 3.97Å; L273-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CG-CD1 3.84Å; L273-L277 HydrophobicContact CG-CG 4.27Å; L273-L277 VanDerWaalsContact O-CG 3.25Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 2.83Å |
| 274 | E | 97.9 | Very high | 98 | Very high | 37 Ų | 37 | 18.3 Ų | 18.3 | 17% | 0.173 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.1 | -24.3 | -174.1 | -160.9 | 47.6 | -136 | 0 | 0 | 111.4 | R119 G271 G272 R278 L355 | R119-E274 IonicContact CZ-OE2 3.78Å; R119-E274 VanDerWaalsContact CZ-OE2 3.29Å; R119-E274 IonicContact NE-OE2 3.12Å; R119-E274 PolarHBondContact NE-OE2 3.06Å; R119-E274 VanDerWaalsContact NE-OE2 3.08Å; R119-E274 IonicContact NH2-OE2 3.51Å; R119-E274 PolarHBondContact NH2-OE2 3.28Å; G271-E274 WeakPolarHBondContact O-CB 3.38Å; G271-E274 PolarHBondContact O-N 3.04Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 PolarHBondContact O-N 3.03Å; E274-R278 WeakPolarHBondContact O-CD 3.47Å; E274-R278 PolarHBondContact O-NH1 3.09Å; E274-R278 IonicContact OE1-CZ 2.68Å; E274-R278 IonicContact OE1-NH1 2.7Å; E274-R278 PolarHBondContact OE1-NH1 3.28Å; E274-L355 HydrophobicContact CB-CD1 4.02Å; E274-L355 HydrophobicContact CG-CD1 4.02Å; E274-L355 HydrophobicContact CG-CD2 3.84Å |
| 275 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -74.3 | -42.8 | 166.3 | -63.5 | 171.2 | 178.1 | 0 | 0 | 112.3 | M233 G272 L273 L277 R278 L279 F348 L355 F356 V389 V392 | M233-M275 HydrophobicContact CE-CE 3.45Å; M233-M275 VanDerWaalsContact CE-CE 3.45Å; G272-M275 WeakPolarHBondContact O-CB 3.43Å; G272-M275 PolarHBondContact O-N 3.17Å; L273-M275 PolarHBondContact O-N 3.02Å; M275-L277 VanDerWaalsContact C-N 3.33Å; M275-L277 PolarHBondContact O-N 3.22Å; M275-R278 PolarHBondContact O-N 3.1Å; M275-L279 PolarHBondContact O-N 2.8Å; M275-L279 VanDerWaalsContact O-N 3.09Å; M275-F348 HydrophobicContact CB-CE2 3.91Å; M275-F348 HydrophobicContact CB-CZ 4.07Å; M275-F348 HydrophobicContact CG-CE2 4.47Å; M275-F348 HydrophobicContact CG-CZ 4.35Å; M275-F348 HydrophobicContact SD-CZ 4.21Å; M275-L355 HydrophobicContact CG-CD1 3.78Å; M275-F356 HydrophobicContact CE-CD1 4.35Å; M275-F356 HydrophobicContact CE-CE1 3.65Å; M275-F356 HydrophobicContact CE-CZ 4.4Å; M275-V389 HydrophobicContact SD-CG2 4.13Å; M275-V392 HydrophobicContact CE-CG2 3.95Å |
| 276 | E | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.8 | -36.2 | 176.8 | -74.3 | 164.4 | -129.3 | 0 | 0 | 112.9 | G272 L273 L279 R280 L310 A313 N314 K317 | G272-E276 WeakPolarHBondContact O-CG 3.37Å; G272-E276 PolarHBondContact O-N 2.82Å; L273-E276 WeakPolarHBondContact O-CB 3.49Å; L273-E276 PolarHBondContact O-N 3.2Å; L273-E276 VanDerWaalsContact O-N 3.14Å; E276-L279 PolarHBondContact O-N 3.12Å; E276-R280 VanDerWaalsContact O-CB 3.31Å; E276-R280 WeakPolarHBondContact O-CB 3.27Å; E276-R280 PolarHBondContact O-N 3.15Å; E276-L310 HydrophobicContact CB-CD1 4.16Å; E276-A313 WeakPolarHBondContact O-CB 3.28Å; E276-N314 HydrophobicContact CG-CB 4.22Å; E276-N314 PolarHBondContact OE1-ND2 3.16Å; E276-N314 VanDerWaalsContact OE1-ND2 3.12Å; E276-N314 WeakPolarHBondContact OE2-CB 3.49Å; E276-N314 PolarHBondContact OE2-ND2 2.75Å; E276-K317 HydrophobicContact CG-CD 4.11Å; E276-K317 IonicContact OE1-NZ 2.69Å; E276-K317 PolarHBondContact OE1-NZ 3.38Å |
| 277 | L | 98.5 | Very high | 98 | Very high | 17 Ų | 17 | 19.5 Ų | 19.5 | 9% | 0.089 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69 | -38.7 | 178.3 | -69.4 | 167.6 | 0 | 0 | 0 | 111.9 | R119 L273 M275 R280 E281 | R119-L277 HydrophobicContact CB-CD1 4.14Å; R119-L277 HydrophobicContact CG-CD1 3.62Å; L273-L277 HydrophobicContact CD1-CD1 4.01Å; L273-L277 HydrophobicContact CD1-CD2 4.42Å; L273-L277 HydrophobicContact CD1-CG 3.97Å; L273-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CG-CD1 3.84Å; L273-L277 HydrophobicContact CG-CG 4.27Å; L273-L277 VanDerWaalsContact O-CG 3.25Å; L273-L277 WeakPolarHBondContact O-CG 3.46Å; L273-L277 PolarHBondContact O-N 2.83Å; M275-L277 VanDerWaalsContact C-N 3.33Å; M275-L277 PolarHBondContact O-N 3.22Å; L277-R280 VanDerWaalsContact CD2-CZ 3.45Å; L277-R280 PolarHBondContact O-N 3.4Å; L277-E281 VanDerWaalsContact O-CB 3.32Å; L277-E281 WeakPolarHBondContact O-CB 3.42Å; L277-E281 PolarHBondContact O-N 3.11Å |
| 278 | R | 98.5 | Very high | 97.9 | Very high | 47 Ų | 47 | 19.8 Ų | 19.8 | 18% | 0.177 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 170.2 | -76.5 | 159 | 173.4 | 63 | 2.1 | 111.7 | E274 M275 E281 R282 L351 C352 D354 | E274-R278 WeakPolarHBondContact O-CD 3.47Å; E274-R278 PolarHBondContact O-NH1 3.09Å; E274-R278 IonicContact OE1-CZ 2.68Å; E274-R278 IonicContact OE1-NH1 2.7Å; E274-R278 PolarHBondContact OE1-NH1 3.28Å; M275-R278 PolarHBondContact O-N 3.1Å; R278-E281 PolarHBondContact O-N 2.94Å; R278-R282 WeakPolarHBondContact O-CB 3.49Å; R278-R282 PolarHBondContact O-N 3.3Å; R278-L351 HydrophobicContact CB-CB 4.41Å; R278-L351 WeakPolarHBondContact CD-O 3.47Å; R278-L351 PolarHBondContact NE-O 3.28Å; R278-L351 VanDerWaalsContact NE-O 3.13Å; R278-C352 VanDerWaalsContact CD-SG 3.54Å; R278-D354 IonicContact CZ-OD1 3.84Å; R278-D354 IonicContact CZ-OD2 3.23Å; R278-D354 IonicContact NE-OD1 3.35Å; R278-D354 PolarHBondContact NE-OD1 3.38Å; R278-D354 IonicContact NH2-OD1 2.7Å; R278-D354 PolarHBondContact NH2-OD1 3.1Å; R278-D354 IonicContact NH2-OD2 2.67Å; R278-D354 PolarHBondContact NH2-OD2 3.35Å |
| 279 | L | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 176 | -78.7 | 172.7 | 0 | 0 | 0 | 111.7 | M275 E276 E281 R282 L283 A313 L316 K317 V343 F348 | M275-L279 PolarHBondContact O-N 2.8Å; M275-L279 VanDerWaalsContact O-N 3.09Å; E276-L279 PolarHBondContact O-N 3.12Å; L279-E281 VanDerWaalsContact C-N 3.29Å; L279-E281 PolarHBondContact O-N 3.18Å; L279-R282 PolarHBondContact O-N 3.2Å; L279-L283 WeakPolarHBondContact O-CG 3.42Å; L279-L283 PolarHBondContact O-N 2.66Å; L279-A313 HydrophobicContact CB-CB 3.68Å; L279-A313 WeakPolarHBondContact CD1-O 3.39Å; L279-L316 HydrophobicContact CD1-CB 4.2Å; L279-K317 HydrophobicContact CD1-CB 4.05Å; L279-V343 HydrophobicContact CD2-CG1 4.19Å; L279-F348 HydrophobicContact CD1-CD2 3.6Å; L279-F348 HydrophobicContact CD1-CE2 3.64Å; L279-F348 HydrophobicContact CD1-CG 4.45Å; L279-F348 HydrophobicContact CD2-CB 4.27Å; L279-F348 HydrophobicContact CD2-CD2 3.72Å; L279-F348 HydrophobicContact CD2-CG 4.33Å; L279-F348 HydrophobicContact CG-CD2 3.62Å; L279-F348 HydrophobicContact CG-CE2 3.96Å |
| 280 | R | 98.5 | Very high | 97.7 | Very high | 24 Ų | 24 | 27.4 Ų | 27.4 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54 | -46.6 | 175.8 | -179 | -174.6 | 77.4 | 175.1 | 0.2 | 111.2 | R119 E276 L277 L283 A284 M306 L309 L310 A313 | R119-R280 PolarHBondContact O-NH1 3.04Å; R119-R280 PolarHBondContact O-NH2 3.3Å; E276-R280 VanDerWaalsContact O-CB 3.31Å; E276-R280 WeakPolarHBondContact O-CB 3.27Å; E276-R280 PolarHBondContact O-N 3.15Å; L277-R280 VanDerWaalsContact CD2-CZ 3.45Å; L277-R280 PolarHBondContact O-N 3.4Å; R280-L283 PolarHBondContact O-N 3.18Å; R280-A284 WeakPolarHBondContact O-CB 3.28Å; R280-A284 PolarHBondContact O-N 2.86Å; R280-M306 HydrophobicContact CG-CE 4.03Å; R280-L309 HydrophobicContact CG-CB 3.99Å; R280-L310 HydrophobicContact CG-CB 4.41Å; R280-A313 HydrophobicContact CB-CB 4.2Å |
| 281 | E | 98.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 28.7 Ų | 28.7 | 40% | 0.397 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -68.4 | -39.7 | -179.2 | -175.8 | 54.2 | -149.9 | 0 | 0 | 112.2 | L277 R278 L279 A284 G285 R300 | L277-E281 VanDerWaalsContact O-CB 3.32Å; L277-E281 WeakPolarHBondContact O-CB 3.42Å; L277-E281 PolarHBondContact O-N 3.11Å; R278-E281 PolarHBondContact O-N 2.94Å; L279-E281 VanDerWaalsContact C-N 3.29Å; L279-E281 PolarHBondContact O-N 3.18Å; E281-A284 PolarHBondContact O-N 3.13Å; E281-G285 PolarHBondContact O-N 2.95Å; E281-R300 PolarHBondContact O-NH2 3.12Å; E281-R300 IonicContact OE1-CZ 3.91Å; E281-R300 IonicContact OE1-NE 2.73Å; E281-R300 PolarHBondContact OE1-NE 3.12Å; E281-R300 IonicContact OE1-NH2 3.15Å; E281-R300 PolarHBondContact OE1-NH2 2.62Å; E281-R300 IonicContact OE2-CZ 3.93Å; E281-R300 IonicContact OE2-NE 3.15Å; E281-R300 PolarHBondContact OE2-NE 3.12Å; E281-R300 IonicContact OE2-NH2 2.76Å |
| 282 | R | 98.4 | Very high | 96.9 | Very high | 77 Ų | 77 | 37.4 Ų | 37.4 | 29% | 0.291 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 172.8 | 177.5 | 58.1 | 175.1 | 144.3 | -0.3 | 112.2 | R278 L279 A284 G285 L286 E289 E347 L351 | R278-R282 WeakPolarHBondContact O-CB 3.49Å; R278-R282 PolarHBondContact O-N 3.3Å; L279-R282 PolarHBondContact O-N 3.2Å; R282-A284 VanDerWaalsContact C-N 3.32Å; R282-A284 PolarHBondContact O-N 2.85Å; R282-G285 PolarHBondContact O-N 3.47Å; R282-L286 HydrophobicContact CG-CD1 4.13Å; R282-L286 WeakPolarHBondContact O-CG 3.46Å; R282-L286 PolarHBondContact O-N 3.06Å; R282-E289 IonicContact NH1-OE2 2.75Å; R282-E347 IonicContact CZ-OE1 3.2Å; R282-E347 IonicContact NE-OE1 2.87Å; R282-E347 PolarHBondContact NE-OE1 2.73Å; R282-E347 IonicContact NH2-OE1 3.2Å; R282-E347 PolarHBondContact NH2-OE1 2.75Å; R282-L351 HydrophobicContact CB-CD1 3.84Å; R282-L351 HydrophobicContact CG-CD1 3.94Å |
| 283 | L | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -38.7 | 175.9 | -63.2 | -175.3 | 0 | 0 | 0 | 111.7 | L279 R280 L286 F287 L309 E312 L316 A328 F339 V343 | L279-L283 WeakPolarHBondContact O-CG 3.42Å; L279-L283 PolarHBondContact O-N 2.66Å; R280-L283 PolarHBondContact O-N 3.18Å; L283-L286 HydrophobicContact CD2-CD1 4.47Å; L283-L286 PolarHBondContact O-N 2.86Å; L283-F287 PolarHBondContact O-N 3.47Å; L283-L309 HydrophobicContact CB-CD2 3.51Å; L283-L309 HydrophobicContact CD1-CD2 4.14Å; L283-E312 HydrophobicContact CD1-CB 4.3Å; L283-E312 HydrophobicContact CD1-CG 4.29Å; L283-L316 HydrophobicContact CD1-CD1 3.82Å; L283-L316 HydrophobicContact CD2-CD1 3.9Å; L283-L316 HydrophobicContact CG-CD1 4.24Å; L283-A328 HydrophobicContact CD2-CB 3.98Å; L283-F339 HydrophobicContact CB-CE1 4.01Å; L283-F339 HydrophobicContact CB-CZ 4.07Å; L283-F339 HydrophobicContact CD1-CE1 4.31Å; L283-F339 HydrophobicContact CD2-CE1 3.88Å; L283-F339 HydrophobicContact CD2-CZ 3.88Å; L283-F339 HydrophobicContact CG-CE1 4.27Å; L283-F339 HydrophobicContact CG-CZ 4.49Å; L283-V343 HydrophobicContact CD2-CG2 3.8Å |
| 284 | A | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R280 E281 R282 N288 V299 R300 M306 L309 | R280-A284 WeakPolarHBondContact O-CB 3.28Å; R280-A284 PolarHBondContact O-N 2.86Å; E281-A284 PolarHBondContact O-N 3.13Å; R282-A284 VanDerWaalsContact C-N 3.32Å; R282-A284 PolarHBondContact O-N 2.85Å; A284-N288 VanDerWaalsContact O-CG 3.3Å; A284-N288 PolarHBondContact O-N 2.63Å; A284-V299 HydrophobicContact CB-CG1 3.63Å; A284-R300 HydrophobicContact CB-CG 4.42Å; A284-M306 HydrophobicContact CB-CE 4.43Å; A284-M306 HydrophobicContact CB-SD 4.17Å; A284-L309 HydrophobicContact CB-CD1 4.14Å |
| 285 | G | 98.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 57 Ų | 57 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -53.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E281 R282 F287 N288 E289 | E281-G285 PolarHBondContact O-N 2.95Å; R282-G285 PolarHBondContact O-N 3.47Å; G285-F287 PolarHBondContact O-N 3.41Å; G285-N288 PolarHBondContact O-N 3.35Å; G285-N288 VanDerWaalsContact O-N 3.16Å; G285-E289 WeakPolarHBondContact O-CG 3.49Å; G285-E289 PolarHBondContact O-N 3.35Å |
| 286 | L | 97.8 | Very high | 94 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.7 | -41.9 | -178.6 | -75.4 | 164.3 | 0 | 0 | 0 | 113.2 | R282 L283 E289 Q290 F339 A341 | R282-L286 HydrophobicContact CG-CD1 4.13Å; R282-L286 WeakPolarHBondContact O-CG 3.46Å; R282-L286 PolarHBondContact O-N 3.06Å; L283-L286 HydrophobicContact CD2-CD1 4.47Å; L283-L286 PolarHBondContact O-N 2.86Å; L286-E289 PolarHBondContact O-N 3.5Å; L286-Q290 VanDerWaalsContact O-CG 3.29Å; L286-Q290 WeakPolarHBondContact O-CG 3.26Å; L286-Q290 PolarHBondContact O-N 3.17Å; L286-F339 HydrophobicContact CB-CE2 3.98Å; L286-F339 HydrophobicContact CB-CZ 4.16Å; L286-A341 HydrophobicContact CD1-CB 4.05Å |
| 287 | F | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 177.2 | 179.1 | -108.7 | 0 | 0 | 0 | 112.7 | L283 G285 E289 Q290 R291 V299 L333 M334 V337 F339 | L283-F287 PolarHBondContact O-N 3.47Å; G285-F287 PolarHBondContact O-N 3.41Å; F287-E289 VanDerWaalsContact C-N 3.34Å; F287-Q290 PolarHBondContact O-N 2.89Å; F287-R291 VanDerWaalsContact CZ-CD 3.46Å; F287-R291 PolarHBondContact O-N 3.39Å; F287-V299 HydrophobicContact CD1-CB 3.78Å; F287-V299 HydrophobicContact CD1-CG1 4.22Å; F287-V299 HydrophobicContact CD1-CG2 3.9Å; F287-V299 HydrophobicContact CE1-CB 4.11Å; F287-V299 HydrophobicContact CE1-CG2 4.01Å; F287-L333 HydrophobicContact CB-CD2 4.07Å; F287-L333 HydrophobicContact CD1-CD2 3.9Å; F287-L333 HydrophobicContact CD2-CD2 3.74Å; F287-L333 HydrophobicContact CE1-CD2 4.16Å; F287-L333 HydrophobicContact CE1-CG 4.35Å; F287-L333 HydrophobicContact CE2-CB 4.18Å; F287-L333 HydrophobicContact CE2-CD2 4Å; F287-L333 HydrophobicContact CE2-CG 4.37Å; F287-L333 HydrophobicContact CG-CD2 3.64Å; F287-L333 HydrophobicContact CZ-CB 4.24Å; F287-L333 HydrophobicContact CZ-CD2 4.18Å; F287-L333 HydrophobicContact CZ-CG 4.23Å; F287-M334 HydrophobicContact CE1-CB 3.94Å; F287-M334 HydrophobicContact CE1-CE 4.4Å; F287-M334 HydrophobicContact CZ-CB 4.03Å; F287-V337 HydrophobicContact CE2-CB 4.14Å; F287-V337 HydrophobicContact CE2-CG1 3.96Å; F287-V337 HydrophobicContact CZ-CB 4.2Å; F287-V337 HydrophobicContact CZ-CG1 4.45Å; F287-F339 HydrophobicContact CB-CD2 3.7Å; F287-F339 HydrophobicContact CB-CE2 3.94Å; F287-F339 HydrophobicContact CB-CG 4.36Å; F287-F339 HydrophobicContact CD2-CB 3.79Å; F287-F339 AromaticContact CD2-CD2 3.8Å; F287-F339 HydrophobicContact CD2-CD2 3.8Å; F287-F339 HydrophobicContact CD2-CG 4.11Å; F287-F339 HydrophobicContact CE2-CB 4.22Å; F287-F339 HydrophobicContact CG-CD2 4.21Å |
| 288 | N | 96.6 | Very high | 93.6 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 175.3 | -68.9 | -2.2 | 0 | 0 | 0 | 111.9 | A284 G285 R291 K292 D298 V299 R300 | A284-N288 VanDerWaalsContact O-CG 3.3Å; A284-N288 PolarHBondContact O-N 2.63Å; G285-N288 PolarHBondContact O-N 3.35Å; G285-N288 VanDerWaalsContact O-N 3.16Å; N288-R291 CarbonylContact O-C 3.39Å; N288-R291 PolarHBondContact O-N 2.82Å; N288-K292 PolarHBondContact O-N 2.95Å; N288-D298 PolarHBondContact ND2-OD1 3.17Å; N288-D298 PolarHBondContact ND2-OD2 3.39Å; N288-V299 WeakPolarHBondContact OD1-CG1 3.35Å; N288-V299 PolarHBondContact OD1-N 2.64Å; N288-R300 PolarHBondContact ND2-NH1 3.2Å |
| 289 | E | 94.9 | Very high | 93.5 | Very high | 113 Ų | 113 | 64.4 Ų | 64.4 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 172 | -74.2 | 169 | 179.4 | 0 | 0 | 111.4 | R282 G285 L286 F287 R291 K292 | R282-E289 IonicContact NH1-OE2 2.75Å; G285-E289 WeakPolarHBondContact O-CG 3.49Å; G285-E289 PolarHBondContact O-N 3.35Å; L286-E289 PolarHBondContact O-N 3.5Å; F287-E289 VanDerWaalsContact C-N 3.34Å; E289-R291 PolarHBondContact O-N 2.85Å; E289-K292 WeakPolarHBondContact O-CB 3.34Å; E289-K292 PolarHBondContact O-N 3.28Å |
| 290 | Q | 92.5 | Very high | 93.4 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -27.3 | 174.7 | -73.1 | 172.9 | 1.9 | 0 | 0 | 113.4 | L286 F287 K340 | L286-Q290 VanDerWaalsContact O-CG 3.29Å; L286-Q290 WeakPolarHBondContact O-CG 3.26Å; L286-Q290 PolarHBondContact O-N 3.17Å; F287-Q290 PolarHBondContact O-N 2.89Å; Q290-K340 PolarHBondContact NE2-O 2.75Å |
| 291 | R | 90.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 72.6 Ų | 72.6 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 9.2 | 179.1 | -60.4 | -175.3 | 69.7 | -162.5 | 0.9 | 113.9 | F287 N288 E289 G293 Q294 A296 D335 | F287-R291 VanDerWaalsContact CZ-CD 3.46Å; F287-R291 PolarHBondContact O-N 3.39Å; N288-R291 CarbonylContact O-C 3.39Å; N288-R291 PolarHBondContact O-N 2.82Å; E289-R291 PolarHBondContact O-N 2.85Å; R291-G293 PolarHBondContact O-N 2.84Å; R291-Q294 VanDerWaalsContact O-CB 3.31Å; R291-Q294 WeakPolarHBondContact O-CB 3.14Å; R291-Q294 WeakPolarHBondContact O-CG 3.46Å; R291-Q294 PolarHBondContact O-N 3.41Å; R291-A296 HydrophobicContact CB-CB 4.08Å; R291-D335 IonicContact CZ-OD2 3.23Å; R291-D335 VanDerWaalsContact CZ-OD2 3.23Å; R291-D335 IonicContact NH1-OD2 3.84Å; R291-D335 PolarHBondContact NH1-OD2 2.94Å; R291-D335 IonicContact NH2-OD2 2.78Å; R291-D335 PolarHBondContact NH2-OD2 2.87Å |
| 292 | K | 87.8 | Confident | 93.1 | Very high | 183 Ų | 183 | 71 Ų | 71 | 80% | 0.796 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 126.9 | -179.1 | -169.8 | 171.5 | -176.4 | 173.4 | 0 | 111 | N288 E289 | N288-K292 PolarHBondContact O-N 2.95Å; E289-K292 WeakPolarHBondContact O-CB 3.34Å; E289-K292 PolarHBondContact O-N 3.28Å |
| 293 | G | 82.6 | Confident | 93 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 85% | 0.845 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -13.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R291 R295 | R291-G293 PolarHBondContact O-N 2.84Å; G293-R295 PolarHBondContact O-N 3.25Å |
| 294 | Q | 82.9 | Confident | 92.8 | Very high | 117 Ų | 117 | 76 Ų | 76 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 4.5 | -177.6 | -58.5 | 176.2 | 2.8 | 0 | 0 | 114.4 | R291 A296 | R291-Q294 VanDerWaalsContact O-CB 3.31Å; R291-Q294 WeakPolarHBondContact O-CB 3.14Å; R291-Q294 WeakPolarHBondContact O-CG 3.46Å; R291-Q294 PolarHBondContact O-N 3.41Å; Q294-A296 PolarHBondContact O-N 3.41Å; Q294-A296 VanDerWaalsContact O-N 3.17Å |
| 295 | R | 81.1 | Confident | 92.8 | Very high | 251 Ų | 251 | 76 Ų | 76 | 95% | 0.947 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 28.8 | -168.3 | -156 | -174.9 | 177 | 172.2 | -0.2 | 113.5 | G293 | G293-R295 PolarHBondContact O-N 3.25Š|
| 296 | A | 85.3 | Confident | 92.8 | Very high | 39 Ų | 39 | 76 Ų | 76 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -67 | 157.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R291 Q294 | R291-A296 HydrophobicContact CB-CB 4.08Å; Q294-A296 PolarHBondContact O-N 3.41Å; Q294-A296 VanDerWaalsContact O-N 3.17Å |
| 297 | K | 92.7 | Very high | 92.7 | Very high | 130 Ų | 130 | 75.2 Ų | 75.2 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 161.3 | 168.1 | -70.8 | -179.6 | 155.6 | -123.5 | 0 | 111.2 | E301 M334 | K297-E301 WeakPolarHBondContact CD-OE2 3.47Å; K297-E301 IonicContact NZ-OE2 3.95Å; K297-E301 PolarHBondContact NZ-OE2 2.6Å; K297-M334 HydrophobicContact CB-CE 4.14Å; K297-M334 WeakPolarHBondContact O-CE 3.23Å |
| 298 | D | 95.3 | Very high | 92.8 | Very high | 58 Ų | 58 | 76.8 Ų | 76.8 | 31% | 0.31 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 131.1 | 167.9 | -164.9 | -47.6 | 0 | 0 | 0 | 109.6 | N288 R300 E301 | N288-D298 PolarHBondContact ND2-OD1 3.17Å; N288-D298 PolarHBondContact ND2-OD2 3.39Å; D298-R300 PolarHBondContact O-N 3.5Å; D298-R300 VanDerWaalsContact O-N 3.12Å; D298-R300 VanDerWaalsContact OD1-CB 3.25Å; D298-R300 WeakPolarHBondContact OD1-CB 3.49Å; D298-R300 VanDerWaalsContact OD1-CG 3.23Å; D298-R300 WeakPolarHBondContact OD1-CG 3.42Å; D298-R300 IonicContact OD1-CZ 3.15Å; D298-R300 PolarHBondContact OD1-N 2.86Å; D298-R300 IonicContact OD1-NH1 3.18Å; D298-R300 PolarHBondContact OD1-NH1 3.25Å; D298-R300 IonicContact OD2-NH1 3.86Å; D298-R300 PolarHBondContact OD2-NH1 2.97Å; D298-E301 HydrophobicContact CB-CG 4.47Å; D298-E301 VanDerWaalsContact O-CB 3.32Å; D298-E301 WeakPolarHBondContact O-CB 3.47Å; D298-E301 PolarHBondContact O-N 2.9Å |
| 299 | V | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -58.6 | -22.8 | 176.5 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | A284 F287 N288 E301 N302 A305 M306 L309 L333 M334 | A284-V299 HydrophobicContact CB-CG1 3.63Å; F287-V299 HydrophobicContact CD1-CB 3.78Å; F287-V299 HydrophobicContact CD1-CG1 4.22Å; F287-V299 HydrophobicContact CD1-CG2 3.9Å; F287-V299 HydrophobicContact CE1-CB 4.11Å; F287-V299 HydrophobicContact CE1-CG2 4.01Å; N288-V299 WeakPolarHBondContact OD1-CG1 3.35Å; N288-V299 PolarHBondContact OD1-N 2.64Å; V299-E301 PolarHBondContact O-N 2.98Å; V299-N302 PolarHBondContact O-N 3.35Å; V299-A305 HydrophobicContact CG2-CB 3.41Å; V299-A305 VanDerWaalsContact CG2-CB 3.41Å; V299-M306 HydrophobicContact CG1-SD 4.4Å; V299-L309 HydrophobicContact CG1-CD1 4.09Å; V299-L309 HydrophobicContact CG2-CD1 3.89Å; V299-L333 HydrophobicContact CG2-CD2 4.38Å; V299-L333 HydrophobicContact CG2-CG 4.33Å; V299-M334 HydrophobicContact CB-CE 4.3Å; V299-M334 HydrophobicContact CG2-CB 4.48Å; V299-M334 HydrophobicContact CG2-SD 4.36Å |
| 300 | R | 96.3 | Very high | 93 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -64.6 | -23.4 | 172.8 | -63.2 | 167.1 | -170.2 | 74 | -0 | 113.2 | E281 A284 N288 D298 N302 M306 | E281-R300 PolarHBondContact O-NH2 3.12Å; E281-R300 IonicContact OE1-CZ 3.91Å; E281-R300 IonicContact OE1-NE 2.73Å; E281-R300 PolarHBondContact OE1-NE 3.12Å; E281-R300 IonicContact OE1-NH2 3.15Å; E281-R300 PolarHBondContact OE1-NH2 2.62Å; E281-R300 IonicContact OE2-CZ 3.93Å; E281-R300 IonicContact OE2-NE 3.15Å; E281-R300 PolarHBondContact OE2-NE 3.12Å; E281-R300 IonicContact OE2-NH2 2.76Å; A284-R300 HydrophobicContact CB-CG 4.42Å; N288-R300 PolarHBondContact ND2-NH1 3.2Å; D298-R300 PolarHBondContact O-N 3.5Å; D298-R300 VanDerWaalsContact O-N 3.12Å; D298-R300 VanDerWaalsContact OD1-CB 3.25Å; D298-R300 WeakPolarHBondContact OD1-CB 3.49Å; D298-R300 VanDerWaalsContact OD1-CG 3.23Å; D298-R300 WeakPolarHBondContact OD1-CG 3.42Å; D298-R300 IonicContact OD1-CZ 3.15Å; D298-R300 PolarHBondContact OD1-N 2.86Å; D298-R300 IonicContact OD1-NH1 3.18Å; D298-R300 PolarHBondContact OD1-NH1 3.25Å; D298-R300 IonicContact OD2-NH1 3.86Å; D298-R300 PolarHBondContact OD2-NH1 2.97Å; R300-N302 PolarHBondContact O-N 2.74Å; R300-M306 HydrophobicContact CB-SD 4.48Å; R300-M306 HydrophobicContact CG-CE 4.03Å; R300-M306 HydrophobicContact CG-SD 4.07Å |
| 301 | E | 94.8 | Very high | 93.2 | Very high | 115 Ų | 115 | 73.3 Ų | 73.3 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -68.4 | -11.7 | 171.5 | -67.6 | 177.5 | -134.8 | 0 | 0 | 112.9 | K297 D298 V299 P303 | K297-E301 WeakPolarHBondContact CD-OE2 3.47Å; K297-E301 IonicContact NZ-OE2 3.95Å; K297-E301 PolarHBondContact NZ-OE2 2.6Å; D298-E301 HydrophobicContact CB-CG 4.47Å; D298-E301 VanDerWaalsContact O-CB 3.32Å; D298-E301 WeakPolarHBondContact O-CB 3.47Å; D298-E301 PolarHBondContact O-N 2.9Å; V299-E301 PolarHBondContact O-N 2.98Å; E301-P303 WeakPolarHBondContact O-CD 3.46Å |
| 302 | N | 96.1 | Very high | 93.5 | Very high | 50 Ų | 50 | 72.6 Ų | 72.6 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | trans | -117.3 | 98 | -171.4 | -174.1 | -24.1 | 0 | 0 | 0 | 111.9 | V299 R300 R304 A305 M306 M334 | V299-N302 PolarHBondContact O-N 3.35Å; R300-N302 PolarHBondContact O-N 2.74Å; N302-R304 PolarHBondContact O-N 3.17Å; N302-R304 VanDerWaalsContact O-N 3.12Å; N302-R304 WeakPolarHBondContact OD1-CB 3.35Å; N302-R304 PolarHBondContact OD1-N 3.26Å; N302-R304 VanDerWaalsContact OD1-N 3.08Å; N302-A305 HydrophobicContact CB-CB 3.91Å; N302-A305 PolarHBondContact O-N 3.14Å; N302-A305 PolarHBondContact OD1-N 2.88Å; N302-A305 VanDerWaalsContact OD1-N 3.15Å; N302-M306 PolarHBondContact O-N 3.44Å; N302-M334 HydrophobicContact CB-SD 3.56Å; N302-M334 VanDerWaalsContact CB-SD 3.56Å; N302-M334 WeakPolarHBondContact ND2-CG 3.3Å; N302-M334 PolarHBondContact ND2-SD 2.84Å; N302-M334 VanDerWaalsContact ND2-SD 3.43Å | ||
| 303 | P | 95.7 | Very high | 94 | Very high | 44 Ų | 44 | 63.9 Ų | 63.9 | 29% | 0.286 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.4 | -31 | 178.9 | -30.1 | 36.9 | 0 | 0 | 0 | 114.7 | P93 E122 E301 A307 | P93-P303 HydrophobicContact CB-CB 4.21Å; P93-P303 HydrophobicContact CG-CB 3.7Å; E122-P303 HydrophobicContact CB-CB 4.07Å; E122-P303 HydrophobicContact CB-CG 4.33Å; E301-P303 WeakPolarHBondContact O-CD 3.46Å; P303-A307 VanDerWaalsContact O-CB 3.26Å; P303-A307 WeakPolarHBondContact O-CB 3.22Å; P303-A307 PolarHBondContact O-N 2.93Å |
| 304 | R | 96.1 | Very high | 94.7 | Very high | 141 Ų | 141 | 62 Ų | 62 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72.6 | -36.4 | 177.6 | 170 | 160.5 | -177.2 | -142 | -1.7 | 111.8 | I90 N302 K308 | I90-R304 HydrophobicContact CG2-CG 4.17Å; I90-R304 WeakPolarHBondContact O-CD 3.27Å; I90-R304 WeakPolarHBondContact O-CG 3.45Å; N302-R304 PolarHBondContact O-N 3.17Å; N302-R304 VanDerWaalsContact O-N 3.12Å; N302-R304 WeakPolarHBondContact OD1-CB 3.35Å; N302-R304 PolarHBondContact OD1-N 3.26Å; N302-R304 VanDerWaalsContact OD1-N 3.08Å; R304-K308 PolarHBondContact O-N 3.24Å; R304-K308 VanDerWaalsContact O-N 3.13Å |
| 305 | A | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V299 N302 A307 K308 L309 L333 M334 | V299-A305 HydrophobicContact CG2-CB 3.41Å; V299-A305 VanDerWaalsContact CG2-CB 3.41Å; N302-A305 HydrophobicContact CB-CB 3.91Å; N302-A305 PolarHBondContact O-N 3.14Å; N302-A305 PolarHBondContact OD1-N 2.88Å; N302-A305 VanDerWaalsContact OD1-N 3.15Å; A305-A307 VanDerWaalsContact C-N 3.29Å; A305-A307 PolarHBondContact O-N 2.85Å; A305-K308 WeakPolarHBondContact O-CB 3.36Å; A305-K308 PolarHBondContact O-N 3Å; A305-K308 VanDerWaalsContact O-N 3.11Å; A305-L309 WeakPolarHBondContact O-CG 3.23Å; A305-L309 PolarHBondContact O-N 3.48Å; A305-L333 HydrophobicContact CB-CD1 3.85Å; A305-L333 HydrophobicContact CB-CG 4.4Å; A305-L333 WeakPolarHBondContact CB-O 3.46Å; A305-M334 HydrophobicContact CB-CB 4.29Å |
| 306 | M | 97.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -33 | 174.8 | -66.1 | -59.1 | -76.6 | 0 | 0 | 113 | R280 A284 V299 R300 N302 L309 L310 | R280-M306 HydrophobicContact CG-CE 4.03Å; A284-M306 HydrophobicContact CB-CE 4.43Å; A284-M306 HydrophobicContact CB-SD 4.17Å; V299-M306 HydrophobicContact CG1-SD 4.4Å; R300-M306 HydrophobicContact CB-SD 4.48Å; R300-M306 HydrophobicContact CG-CE 4.03Å; R300-M306 HydrophobicContact CG-SD 4.07Å; N302-M306 PolarHBondContact O-N 3.44Å; M306-L309 PolarHBondContact O-N 3.24Å; M306-L309 HydrophobicContact SD-CD1 3.79Å; M306-L310 WeakPolarHBondContact O-CB 3.38Å; M306-L310 PolarHBondContact O-N 2.95Å |
| 307 | A | 96.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -37.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | I90 P93 P303 A305 R311 | I90-A307 HydrophobicContact CG1-CB 4.23Å; P93-A307 HydrophobicContact CB-CB 4.33Å; P303-A307 VanDerWaalsContact O-CB 3.26Å; P303-A307 WeakPolarHBondContact O-CB 3.22Å; P303-A307 PolarHBondContact O-N 2.93Å; A305-A307 VanDerWaalsContact C-N 3.29Å; A305-A307 PolarHBondContact O-N 2.85Å; A307-R311 PolarHBondContact O-N 3.42Å |
| 308 | K | 97.8 | Very high | 97 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 14% | 0.143 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -47.5 | 169.9 | -75.1 | -179.7 | 166.5 | -165.9 | 0 | 110.9 | I90 R304 A305 R311 E312 I330 E331 G332 L333 | I90-K308 HydrophobicContact CD1-CG 4.26Å; I90-K308 HydrophobicContact CG2-CG 3.77Å; R304-K308 PolarHBondContact O-N 3.24Å; R304-K308 VanDerWaalsContact O-N 3.13Å; A305-K308 WeakPolarHBondContact O-CB 3.36Å; A305-K308 PolarHBondContact O-N 3Å; A305-K308 VanDerWaalsContact O-N 3.11Å; K308-R311 PolarHBondContact O-N 3.3Å; K308-E312 PolarHBondContact O-N 3.43Å; K308-E312 VanDerWaalsContact O-N 3.14Å; K308-I330 HydrophobicContact CB-CD1 4.43Å; K308-I330 HydrophobicContact CB-CG2 3.94Å; K308-I330 HydrophobicContact CD-CG2 3.73Å; K308-I330 HydrophobicContact CG-CG2 4.27Å; K308-E331 PolarHBondContact NZ-O 3.06Å; K308-G332 VanDerWaalsContact NZ-C 3.34Å; K308-G332 PolarHBondContact NZ-O 3.38Å; K308-L333 HydrophobicContact CB-CD1 3.9Å; K308-L333 HydrophobicContact CD-CD1 4.08Å |
| 309 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | -179.5 | -71.6 | 160.7 | 0 | 0 | 0 | 112.5 | R280 L283 A284 V299 A305 M306 R311 E312 A313 I330 L333 F339 | R280-L309 HydrophobicContact CG-CB 3.99Å; L283-L309 HydrophobicContact CB-CD2 3.51Å; L283-L309 HydrophobicContact CD1-CD2 4.14Å; A284-L309 HydrophobicContact CB-CD1 4.14Å; V299-L309 HydrophobicContact CG1-CD1 4.09Å; V299-L309 HydrophobicContact CG2-CD1 3.89Å; A305-L309 WeakPolarHBondContact O-CG 3.23Å; A305-L309 PolarHBondContact O-N 3.48Å; M306-L309 PolarHBondContact O-N 3.24Å; M306-L309 HydrophobicContact SD-CD1 3.79Å; L309-R311 PolarHBondContact O-N 2.93Å; L309-E312 PolarHBondContact O-N 3.47Å; L309-A313 WeakPolarHBondContact O-CB 3.38Å; L309-A313 PolarHBondContact O-N 2.92Å; L309-I330 HydrophobicContact CD2-CD1 3.81Å; L309-I330 HydrophobicContact CG-CD1 4.23Å; L309-L333 HydrophobicContact CD1-CD1 4.19Å; L309-L333 HydrophobicContact CD1-CD2 4.27Å; L309-L333 HydrophobicContact CD2-CD1 4.32Å; L309-L333 HydrophobicContact CD2-CD2 3.87Å; L309-L333 HydrophobicContact CG-CD1 3.83Å; L309-L333 HydrophobicContact CG-CD2 4.16Å; L309-F339 HydrophobicContact CD2-CD1 4.41Å; L309-F339 HydrophobicContact CD2-CE1 4.31Å |
| 310 | L | 97.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.7 | -177.2 | 57.4 | 0 | 0 | 0 | 112.2 | F120 E276 R280 M306 A313 N314 | F120-L310 HydrophobicContact CE1-CD2 4.42Å; E276-L310 HydrophobicContact CB-CD1 4.16Å; R280-L310 HydrophobicContact CG-CB 4.41Å; M306-L310 WeakPolarHBondContact O-CB 3.38Å; M306-L310 PolarHBondContact O-N 2.95Å; L310-A313 PolarHBondContact O-N 3.17Å; L310-N314 PolarHBondContact O-N 3.36Å; L310-N314 VanDerWaalsContact O-N 3.08Å |
| 311 | R | 96.9 | Very high | 97.3 | Very high | 159 Ų | 159 | 42.9 Ų | 42.9 | 60% | 0.6 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.8 | -42.8 | 176.2 | -171.3 | -177 | 68.7 | 170.1 | 4.8 | 111.7 | A307 K308 L309 R315 | A307-R311 PolarHBondContact O-N 3.42Å; K308-R311 PolarHBondContact O-N 3.3Å; L309-R311 PolarHBondContact O-N 2.93Å; R311-R315 PolarHBondContact O-N 2.85Å |
| 312 | E | 98.2 | Very high | 97.4 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.3 | -32.8 | 177.3 | -168.5 | 69.2 | 170.1 | 0 | 0 | 111.8 | L283 K308 L309 R315 L316 A328 Q329 I330 | L283-E312 HydrophobicContact CD1-CB 4.3Å; L283-E312 HydrophobicContact CD1-CG 4.29Å; K308-E312 PolarHBondContact O-N 3.43Å; K308-E312 VanDerWaalsContact O-N 3.14Å; L309-E312 PolarHBondContact O-N 3.47Å; E312-R315 WeakPolarHBondContact O-CB 3.39Å; E312-R315 PolarHBondContact O-N 2.85Å; E312-R315 IonicContact OE1-NH1 2.77Å; E312-R315 PolarHBondContact OE1-NH1 2.73Å; E312-R315 WeakPolarHBondContact OE2-CD 3.46Å; E312-R315 IonicContact OE2-NH1 2.84Å; E312-R315 PolarHBondContact OE2-NH1 2.88Å; E312-R315 VanDerWaalsContact OE2-NH1 3.15Å; E312-L316 WeakPolarHBondContact O-CB 3.45Å; E312-L316 VanDerWaalsContact O-CG 3.3Å; E312-L316 WeakPolarHBondContact O-CG 3.21Å; E312-L316 PolarHBondContact O-N 2.96Å; E312-A328 HydrophobicContact CG-CB 4.24Å; E312-A328 WeakPolarHBondContact OE1-CA 3.41Å; E312-Q329 PolarHBondContact OE1-N 3.02Å; E312-I330 HydrophobicContact CB-CD1 3.76Å; E312-I330 HydrophobicContact CB-CG1 4Å; E312-I330 HydrophobicContact CG-CD1 4.19Å; E312-I330 HydrophobicContact CG-CG1 4.03Å |
| 313 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | E276 L279 R280 L309 L310 R315 L316 K317 | E276-A313 WeakPolarHBondContact O-CB 3.28Å; L279-A313 HydrophobicContact CB-CB 3.68Å; L279-A313 WeakPolarHBondContact CD1-O 3.39Å; R280-A313 HydrophobicContact CB-CB 4.2Å; L309-A313 WeakPolarHBondContact O-CB 3.38Å; L309-A313 PolarHBondContact O-N 2.92Å; L310-A313 PolarHBondContact O-N 3.17Å; A313-R315 VanDerWaalsContact C-N 3.35Å; A313-L316 PolarHBondContact O-N 2.79Å; A313-K317 PolarHBondContact O-N 3Å |
| 314 | N | 96.8 | Very high | 97.6 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 24% | 0.235 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 173.9 | -176.2 | -83 | 0 | 0 | 0 | 112 | E43 E276 L310 T318 | E43-N314 PolarHBondContact OE1-ND2 2.69Å; E276-N314 HydrophobicContact CG-CB 4.22Å; E276-N314 PolarHBondContact OE1-ND2 3.16Å; E276-N314 VanDerWaalsContact OE1-ND2 3.12Å; E276-N314 WeakPolarHBondContact OE2-CB 3.49Å; E276-N314 PolarHBondContact OE2-ND2 2.75Å; L310-N314 PolarHBondContact O-N 3.36Å; L310-N314 VanDerWaalsContact O-N 3.08Å; N314-T318 PolarHBondContact O-N 3.3Å; N314-T318 PolarHBondContact O-OG1 3.47Å |
| 315 | R | 97.3 | Very high | 97.7 | Very high | 118 Ų | 118 | 40.4 Ų | 40.4 | 45% | 0.445 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 171.8 | -174.5 | -167 | -178.2 | -172 | -0.6 | 111.7 | R311 E312 A313 T318 V319 | R311-R315 PolarHBondContact O-N 2.85Å; E312-R315 WeakPolarHBondContact O-CB 3.39Å; E312-R315 PolarHBondContact O-N 2.85Å; E312-R315 IonicContact OE1-NH1 2.77Å; E312-R315 PolarHBondContact OE1-NH1 2.73Å; E312-R315 WeakPolarHBondContact OE2-CD 3.46Å; E312-R315 IonicContact OE2-NH1 2.84Å; E312-R315 PolarHBondContact OE2-NH1 2.88Å; E312-R315 VanDerWaalsContact OE2-NH1 3.15Å; A313-R315 VanDerWaalsContact C-N 3.35Å; R315-T318 WeakPolarHBondContact O-CB 3.15Å; R315-T318 PolarHBondContact O-N 3.36Å; R315-T318 VanDerWaalsContact O-N 3.16Å; R315-V319 HydrophobicContact CG-CG2 4.2Å; R315-V319 WeakPolarHBondContact O-CG2 3.34Å; R315-V319 PolarHBondContact O-N 3.25Å |
| 316 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -49 | 179.7 | -75 | 170.5 | 0 | 0 | 0 | 112 | L279 L283 E312 A313 T318 V319 L320 H326 A328 V343 | L279-L316 HydrophobicContact CD1-CB 4.2Å; L283-L316 HydrophobicContact CD1-CD1 3.82Å; L283-L316 HydrophobicContact CD2-CD1 3.9Å; L283-L316 HydrophobicContact CG-CD1 4.24Å; E312-L316 WeakPolarHBondContact O-CB 3.45Å; E312-L316 VanDerWaalsContact O-CG 3.3Å; E312-L316 WeakPolarHBondContact O-CG 3.21Å; E312-L316 PolarHBondContact O-N 2.96Å; A313-L316 PolarHBondContact O-N 2.79Å; L316-T318 PolarHBondContact O-N 2.78Å; L316-V319 PolarHBondContact O-N 2.96Å; L316-L320 HydrophobicContact CB-CD1 4.38Å; L316-L320 VanDerWaalsContact O-CB 3.24Å; L316-L320 WeakPolarHBondContact O-CB 3.33Å; L316-L320 VanDerWaalsContact O-CG 3.24Å; L316-L320 WeakPolarHBondContact O-CG 3.36Å; L316-L320 PolarHBondContact O-N 3.5Å; L316-H326 HydrophobicContact CD2-CB 3.93Å; L316-A328 HydrophobicContact CD1-CB 3.91Å; L316-A328 HydrophobicContact CD2-CB 4.16Å; L316-A328 HydrophobicContact CG-CB 4.45Å; L316-V343 HydrophobicContact CD1-CG2 4.17Å; L316-V343 HydrophobicContact CD2-CB 4.47Å |
| 317 | K | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -47.7 | -46.3 | 172.9 | 178.1 | -162.5 | 66.6 | -178.9 | 0 | 111.1 | E276 L279 A313 S321 F348 V389 | E276-K317 HydrophobicContact CG-CD 4.11Å; E276-K317 IonicContact OE1-NZ 2.69Å; E276-K317 PolarHBondContact OE1-NZ 3.38Å; L279-K317 HydrophobicContact CD1-CB 4.05Å; A313-K317 PolarHBondContact O-N 3Å; K317-S321 PolarHBondContact O-N 3.46Å; K317-S321 PolarHBondContact O-OG 2.66Å; K317-F348 HydrophobicContact CG-CZ 4.22Å; K317-V389 HydrophobicContact CG-CG2 4.45Å |
| 318 | T | 97.2 | Very high | 97.8 | Very high | 82 Ų | 82 | 45.6 Ų | 45.6 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.1 | -47.2 | -178.6 | -52.6 | 0 | 0 | 0 | 0 | 112.1 | N314 R315 L316 S321 | N314-T318 PolarHBondContact O-N 3.3Å; N314-T318 PolarHBondContact O-OG1 3.47Å; R315-T318 WeakPolarHBondContact O-CB 3.15Å; R315-T318 PolarHBondContact O-N 3.36Å; R315-T318 VanDerWaalsContact O-N 3.16Å; L316-T318 PolarHBondContact O-N 2.78Å; T318-S321 WeakPolarHBondContact O-CB 3.42Å; T318-S321 PolarHBondContact O-N 3.23Å |
| 319 | V | 97.9 | Very high | 97.7 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.6 | -41.4 | -178.9 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | R315 L316 S321 A322 N323 H326 | R315-V319 HydrophobicContact CG-CG2 4.2Å; R315-V319 WeakPolarHBondContact O-CG2 3.34Å; R315-V319 PolarHBondContact O-N 3.25Å; L316-V319 PolarHBondContact O-N 2.96Å; V319-S321 PolarHBondContact O-N 2.83Å; V319-A322 PolarHBondContact O-N 3.05Å; V319-A322 VanDerWaalsContact O-N 3.15Å; V319-N323 HydrophobicContact CG1-CB 4.41Å; V319-N323 WeakPolarHBondContact O-CB 3.44Å; V319-N323 PolarHBondContact O-N 2.83Å; V319-N323 PolarHBondContact O-ND2 2.77Å; V319-H326 HydrophobicContact CG1-CB 3.97Å |
| 320 | L | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -18.8 | 177.9 | -65 | 175 | 0 | 0 | 0 | 112.8 | L316 A322 N323 H326 V343 R345 F348 | L316-L320 HydrophobicContact CB-CD1 4.38Å; L316-L320 VanDerWaalsContact O-CB 3.24Å; L316-L320 WeakPolarHBondContact O-CB 3.33Å; L316-L320 VanDerWaalsContact O-CG 3.24Å; L316-L320 WeakPolarHBondContact O-CG 3.36Å; L316-L320 PolarHBondContact O-N 3.5Å; L320-A322 PolarHBondContact O-N 3.5Å; L320-N323 CarbonylContact C-O 3.59Å; L320-N323 WeakPolarHBondContact CA-O 3.36Å; L320-H326 HydrophobicContact CD2-CB 4.31Å; L320-V343 HydrophobicContact CD1-CG1 4.03Å; L320-R345 VanDerWaalsContact O-CZ 3.31Å; L320-R345 PolarHBondContact O-NE 3.13Å; L320-R345 PolarHBondContact O-NH2 2.72Å; L320-F348 HydrophobicContact CD1-CB 3.93Å; L320-F348 HydrophobicContact CD1-CG 4.31Å |
| 321 | S | 97.1 | Very high | 97.6 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -27.5 | 170.4 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | K317 T318 V319 R345 P390 | K317-S321 PolarHBondContact O-N 3.46Å; K317-S321 PolarHBondContact O-OG 2.66Å; T318-S321 WeakPolarHBondContact O-CB 3.42Å; T318-S321 PolarHBondContact O-N 3.23Å; V319-S321 PolarHBondContact O-N 2.83Å; S321-R345 PolarHBondContact O-NH2 2.97Å; S321-P390 WeakPolarHBondContact O-CG 3.43Å |
| 322 | A | 97.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 65% | 0.653 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -98.3 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V319 L320 R345 | V319-A322 PolarHBondContact O-N 3.05Å; V319-A322 VanDerWaalsContact O-N 3.15Å; L320-A322 PolarHBondContact O-N 3.5Å; A322-R345 PolarHBondContact O-NH2 2.8Å |
| 323 | N | 97.9 | Very high | 97.5 | Very high | 82 Ų | 82 | 48.1 Ų | 48.1 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -101.5 | 156.4 | -170.9 | -59.7 | -88.8 | 0 | 0 | 0 | 112.6 | V319 L320 R345 | V319-N323 HydrophobicContact CG1-CB 4.41Å; V319-N323 WeakPolarHBondContact O-CB 3.44Å; V319-N323 PolarHBondContact O-N 2.83Å; V319-N323 PolarHBondContact O-ND2 2.77Å; L320-N323 CarbonylContact C-O 3.59Å; L320-N323 WeakPolarHBondContact CA-O 3.36Å; N323-R345 VanDerWaalsContact C-NH2 3.31Å; N323-R345 PolarHBondContact O-NE 2.96Å; N323-R345 PolarHBondContact O-NH2 2.87Å |
| 324 | A | 98 | Very high | 97.3 | Very high | 73 Ų | 73 | 48.5 Ų | 48.5 | 60% | 0.603 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -75.7 | -26.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R345 | A324-R345 WeakPolarHBondContact O-CB 3.4Å; A324-R345 PolarHBondContact O-N 2.9Å |
| 325 | D | 98 | Very high | 97.1 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 170.2 | 174.7 | 67.6 | 71.7 | 0 | 0 | 0 | 112.2 | K342 V343 T344 | D325-K342 VanDerWaalsContact CB-CE 3.48Å; D325-K342 WeakPolarHBondContact OD1-CE 3.21Å; D325-K342 IonicContact OD1-NZ 2.7Å; D325-K342 PolarHBondContact OD1-NZ 3.08Å; D325-K342 WeakPolarHBondContact OD2-CE 3.22Å; D325-K342 IonicContact OD2-NZ 2.74Å; D325-K342 PolarHBondContact OD2-NZ 2.8Å; D325-V343 WeakPolarHBondContact CA-O 3.38Å; D325-V343 WeakPolarHBondContact CB-O 3.3Å; D325-T344 HydrophobicContact CB-CG2 4.05Å |
| 326 | H | 98.1 | Very high | 96.8 | Very high | 51 Ų | 51 | 52.6 Ų | 52.6 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 158.7 | 170.7 | -159.7 | 56.9 | 0 | 0 | 0 | 111.9 | L316 V319 L320 V343 | L316-H326 HydrophobicContact CD2-CB 3.93Å; V319-H326 HydrophobicContact CG1-CB 3.97Å; L320-H326 HydrophobicContact CD2-CB 4.31Å; H326-V343 PolarHBondContact N-O 3.42Å; H326-V343 PolarHBondContact O-N 3.35Å |
| 327 | M | 97.9 | Very high | 96.6 | Very high | 78 Ų | 78 | 55 Ų | 55 | 38% | 0.384 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 103.7 | 167.2 | -67.8 | -57 | -54.1 | 0 | 0 | 109.4 | Q329 K340 A341 K342 | M327-Q329 PolarHBondContact O-N 2.96Å; M327-K340 HydrophobicContact CE-CD 4.36Å; M327-K340 HydrophobicContact CE-CG 3.72Å; M327-A341 CarbonylContact C-O 3.53Å; M327-A341 WeakPolarHBondContact CA-O 3.22Å; M327-A341 VanDerWaalsContact CE-C 3.49Å; M327-K342 HydrophobicContact CE-CB 4.26Å; M327-K342 HydrophobicContact SD-CB 3.56Å; M327-K342 VanDerWaalsContact SD-CB 3.56Å; M327-K342 HydrophobicContact SD-CD 4.4Å; M327-K342 HydrophobicContact SD-CG 3.93Å |
| 328 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 131.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L283 E312 L316 F339 K340 A341 V343 | L283-A328 HydrophobicContact CD2-CB 3.98Å; E312-A328 HydrophobicContact CG-CB 4.24Å; E312-A328 WeakPolarHBondContact OE1-CA 3.41Å; L316-A328 HydrophobicContact CD1-CB 3.91Å; L316-A328 HydrophobicContact CD2-CB 4.16Å; L316-A328 HydrophobicContact CG-CB 4.45Å; A328-F339 HydrophobicContact CB-CE1 4.32Å; A328-K340 WeakPolarHBondContact O-CA 3.36Å; A328-A341 PolarHBondContact N-O 3.03Å; A328-A341 PolarHBondContact O-N 3.17Å; A328-V343 HydrophobicContact CB-CG2 4.37Å |
| 329 | Q | 97.3 | Very high | 96.5 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 126.6 | 178.5 | -172.3 | 172.9 | -49.2 | 0 | 0 | 112 | E312 M327 F339 | E312-Q329 PolarHBondContact OE1-N 3.02Å; M327-Q329 PolarHBondContact O-N 2.96Å; Q329-F339 WeakPolarHBondContact CA-O 3.36Å |
| 330 | I | 97.7 | Very high | 96.5 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 113.4 | 179.6 | -53.2 | 176.8 | 0 | 0 | 0 | 109.5 | K308 L309 E312 L333 F339 | K308-I330 HydrophobicContact CB-CD1 4.43Å; K308-I330 HydrophobicContact CB-CG2 3.94Å; K308-I330 HydrophobicContact CD-CG2 3.73Å; K308-I330 HydrophobicContact CG-CG2 4.27Å; L309-I330 HydrophobicContact CD2-CD1 3.81Å; L309-I330 HydrophobicContact CG-CD1 4.23Å; E312-I330 HydrophobicContact CB-CD1 3.76Å; E312-I330 HydrophobicContact CB-CG1 4Å; E312-I330 HydrophobicContact CG-CD1 4.19Å; E312-I330 HydrophobicContact CG-CG1 4.03Å; I330-L333 HydrophobicContact CB-CB 4.45Å; I330-L333 HydrophobicContact CD1-CD1 4.29Å; I330-L333 HydrophobicContact CG2-CB 4.11Å; I330-L333 HydrophobicContact CG2-CD1 4.08Å; I330-F339 HydrophobicContact CB-CB 4.37Å; I330-F339 HydrophobicContact CB-CD1 4.4Å; I330-F339 HydrophobicContact CD1-CD1 4.06Å; I330-F339 HydrophobicContact CG1-CD1 4.17Å; I330-F339 PolarHBondContact N-O 3.26Å; I330-F339 PolarHBondContact O-N 3.21Å |
| 331 | E | 96.2 | Very high | 96.5 | Very high | 141 Ų | 141 | 59.5 Ų | 59.5 | 66% | 0.659 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 137.1 | 176 | -69.8 | 162.1 | -166.8 | 0 | 0 | 111.8 | K308 L333 D338 | K308-E331 PolarHBondContact NZ-O 3.06Å; E331-L333 VanDerWaalsContact C-N 3.34Å; E331-L333 PolarHBondContact O-N 3.47Å; E331-D338 WeakPolarHBondContact CA-OD1 3.27Å |
| 332 | G | 95.3 | Very high | 96.5 | Very high | 21 Ų | 21 | 63.6 Ų | 63.6 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.8 | 50.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K308 M334 V337 D338 | K308-G332 VanDerWaalsContact NZ-C 3.34Å; K308-G332 PolarHBondContact NZ-O 3.38Å; G332-M334 PolarHBondContact O-N 3.5Å; G332-V337 CarbonylContact C-O 3.49Å; G332-D338 PolarHBondContact N-OD1 2.96Å |
| 333 | L | 96.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | -49.3 | -171.7 | 171.5 | 58.1 | 0 | 0 | 0 | 111.5 | F287 V299 A305 K308 L309 I330 E331 V337 F339 | F287-L333 HydrophobicContact CB-CD2 4.07Å; F287-L333 HydrophobicContact CD1-CD2 3.9Å; F287-L333 HydrophobicContact CD2-CD2 3.74Å; F287-L333 HydrophobicContact CE1-CD2 4.16Å; F287-L333 HydrophobicContact CE1-CG 4.35Å; F287-L333 HydrophobicContact CE2-CB 4.18Å; F287-L333 HydrophobicContact CE2-CD2 4Å; F287-L333 HydrophobicContact CE2-CG 4.37Å; F287-L333 HydrophobicContact CG-CD2 3.64Å; F287-L333 HydrophobicContact CZ-CB 4.24Å; F287-L333 HydrophobicContact CZ-CD2 4.18Å; F287-L333 HydrophobicContact CZ-CG 4.23Å; V299-L333 HydrophobicContact CG2-CD2 4.38Å; V299-L333 HydrophobicContact CG2-CG 4.33Å; A305-L333 HydrophobicContact CB-CD1 3.85Å; A305-L333 HydrophobicContact CB-CG 4.4Å; A305-L333 WeakPolarHBondContact CB-O 3.46Å; K308-L333 HydrophobicContact CB-CD1 3.9Å; K308-L333 HydrophobicContact CD-CD1 4.08Å; L309-L333 HydrophobicContact CD1-CD1 4.19Å; L309-L333 HydrophobicContact CD1-CD2 4.27Å; L309-L333 HydrophobicContact CD2-CD1 4.32Å; L309-L333 HydrophobicContact CD2-CD2 3.87Å; L309-L333 HydrophobicContact CG-CD1 3.83Å; L309-L333 HydrophobicContact CG-CD2 4.16Å; I330-L333 HydrophobicContact CB-CB 4.45Å; I330-L333 HydrophobicContact CD1-CD1 4.29Å; I330-L333 HydrophobicContact CG2-CB 4.11Å; I330-L333 HydrophobicContact CG2-CD1 4.08Å; E331-L333 VanDerWaalsContact C-N 3.34Å; E331-L333 PolarHBondContact O-N 3.47Å; L333-V337 PolarHBondContact N-O 2.93Å; L333-F339 HydrophobicContact CB-CB 3.97Å; L333-F339 HydrophobicContact CD2-CB 3.56Å; L333-F339 HydrophobicContact CD2-CD1 4.17Å; L333-F339 HydrophobicContact CD2-CG 3.88Å; L333-F339 HydrophobicContact CG-CB 4.41Å |
| 334 | M | 95.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 144.2 | 172.4 | -172.5 | 166.2 | 81.5 | 0 | 0 | 109.8 | F287 K297 V299 N302 A305 G332 D336 V337 | F287-M334 HydrophobicContact CE1-CB 3.94Å; F287-M334 HydrophobicContact CE1-CE 4.4Å; F287-M334 HydrophobicContact CZ-CB 4.03Å; K297-M334 HydrophobicContact CB-CE 4.14Å; K297-M334 WeakPolarHBondContact O-CE 3.23Å; V299-M334 HydrophobicContact CB-CE 4.3Å; V299-M334 HydrophobicContact CG2-CB 4.48Å; V299-M334 HydrophobicContact CG2-SD 4.36Å; N302-M334 HydrophobicContact CB-SD 3.56Å; N302-M334 VanDerWaalsContact CB-SD 3.56Å; N302-M334 WeakPolarHBondContact ND2-CG 3.3Å; N302-M334 PolarHBondContact ND2-SD 2.84Å; N302-M334 VanDerWaalsContact ND2-SD 3.43Å; A305-M334 HydrophobicContact CB-CB 4.29Å; G332-M334 PolarHBondContact O-N 3.5Å; M334-D336 PolarHBondContact O-N 3.4Å; M334-V337 WeakPolarHBondContact O-CB 3.41Å; M334-V337 PolarHBondContact O-N 3.03Å |
| 335 | D | 91.6 | Very high | 96.6 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 37.2 | -178.4 | -40.9 | -39.7 | 0 | 0 | 0 | 113.4 | R291 V337 | R291-D335 IonicContact CZ-OD2 3.23Å; R291-D335 VanDerWaalsContact CZ-OD2 3.23Å; R291-D335 IonicContact NH1-OD2 3.84Å; R291-D335 PolarHBondContact NH1-OD2 2.94Å; R291-D335 IonicContact NH2-OD2 2.78Å; R291-D335 PolarHBondContact NH2-OD2 2.87Å; D335-V337 PolarHBondContact O-N 3.2Å |
| 336 | D | 91.6 | Very high | 96.6 | Very high | 154 Ų | 154 | 58.6 Ų | 58.6 | 82% | 0.824 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 18.5 | -174.8 | -54.5 | -41.7 | 0 | 0 | 0 | 115.1 | M334 | M334-D336 PolarHBondContact O-N 3.4Š|
| 337 | V | 93.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121.2 | 172.4 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | F287 G332 L333 M334 D335 | F287-V337 HydrophobicContact CE2-CB 4.14Å; F287-V337 HydrophobicContact CE2-CG1 3.96Å; F287-V337 HydrophobicContact CZ-CB 4.2Å; F287-V337 HydrophobicContact CZ-CG1 4.45Å; G332-V337 CarbonylContact C-O 3.49Å; L333-V337 PolarHBondContact N-O 2.93Å; M334-V337 WeakPolarHBondContact O-CB 3.41Å; M334-V337 PolarHBondContact O-N 3.03Å; D335-V337 PolarHBondContact O-N 3.2Å |
| 338 | D | 96.1 | Very high | 96.7 | Very high | 107 Ų | 107 | 54 Ų | 54 | 57% | 0.572 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 141.8 | 169.7 | -68 | -23.9 | 0 | 0 | 0 | 111.5 | E331 G332 | E331-D338 WeakPolarHBondContact CA-OD1 3.27Å; G332-D338 PolarHBondContact N-OD1 2.96Å |
| 339 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.6 | 172.5 | 171.6 | -116.1 | 0 | 0 | 0 | 110.7 | L283 L286 F287 L309 A328 Q329 I330 L333 A341 | L283-F339 HydrophobicContact CB-CE1 4.01Å; L283-F339 HydrophobicContact CB-CZ 4.07Å; L283-F339 HydrophobicContact CD1-CE1 4.31Å; L283-F339 HydrophobicContact CD2-CE1 3.88Å; L283-F339 HydrophobicContact CD2-CZ 3.88Å; L283-F339 HydrophobicContact CG-CE1 4.27Å; L283-F339 HydrophobicContact CG-CZ 4.49Å; L286-F339 HydrophobicContact CB-CE2 3.98Å; L286-F339 HydrophobicContact CB-CZ 4.16Å; F287-F339 HydrophobicContact CB-CD2 3.7Å; F287-F339 HydrophobicContact CB-CE2 3.94Å; F287-F339 HydrophobicContact CB-CG 4.36Å; F287-F339 HydrophobicContact CD2-CB 3.79Å; F287-F339 AromaticContact CD2-CD2 3.8Å; F287-F339 HydrophobicContact CD2-CD2 3.8Å; F287-F339 HydrophobicContact CD2-CG 4.11Å; F287-F339 HydrophobicContact CE2-CB 4.22Å; F287-F339 HydrophobicContact CG-CD2 4.21Å; L309-F339 HydrophobicContact CD2-CD1 4.41Å; L309-F339 HydrophobicContact CD2-CE1 4.31Å; A328-F339 HydrophobicContact CB-CE1 4.32Å; Q329-F339 WeakPolarHBondContact CA-O 3.36Å; I330-F339 HydrophobicContact CB-CB 4.37Å; I330-F339 HydrophobicContact CB-CD1 4.4Å; I330-F339 HydrophobicContact CD1-CD1 4.06Å; I330-F339 HydrophobicContact CG1-CD1 4.17Å; I330-F339 PolarHBondContact N-O 3.26Å; I330-F339 PolarHBondContact O-N 3.21Å; L333-F339 HydrophobicContact CB-CB 3.97Å; L333-F339 HydrophobicContact CD2-CB 3.56Å; L333-F339 HydrophobicContact CD2-CD1 4.17Å; L333-F339 HydrophobicContact CD2-CG 3.88Å; L333-F339 HydrophobicContact CG-CB 4.41Å; F339-A341 HydrophobicContact CE1-CB 4.46Å; F339-A341 HydrophobicContact CE2-CB 3.85Å; F339-A341 HydrophobicContact CZ-CB 3.62Å |
| 340 | K | 97.4 | Very high | 96.7 | Very high | 111 Ų | 111 | 58.4 Ų | 58.4 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 130.2 | 172.8 | -170.6 | 163.8 | -173.8 | 152.5 | 0 | 110.5 | Q290 M327 A328 | Q290-K340 PolarHBondContact NE2-O 2.75Å; M327-K340 HydrophobicContact CE-CD 4.36Å; M327-K340 HydrophobicContact CE-CG 3.72Å; A328-K340 WeakPolarHBondContact O-CA 3.36Å |
| 341 | A | 97.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 60.9 Ų | 60.9 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 147.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L286 M327 A328 F339 | L286-A341 HydrophobicContact CD1-CB 4.05Å; M327-A341 CarbonylContact C-O 3.53Å; M327-A341 WeakPolarHBondContact CA-O 3.22Å; M327-A341 VanDerWaalsContact CE-C 3.49Å; A328-A341 PolarHBondContact N-O 3.03Å; A328-A341 PolarHBondContact O-N 3.17Å; F339-A341 HydrophobicContact CE1-CB 4.46Å; F339-A341 HydrophobicContact CE2-CB 3.85Å; F339-A341 HydrophobicContact CZ-CB 3.62Å |
| 342 | K | 97.9 | Very high | 96.9 | Very high | 112 Ų | 112 | 54.2 Ų | 54.2 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 134.2 | 166.5 | -170.5 | 167.8 | 179.5 | 164.8 | 0 | 108.6 | D325 M327 | D325-K342 VanDerWaalsContact CB-CE 3.48Å; D325-K342 WeakPolarHBondContact OD1-CE 3.21Å; D325-K342 IonicContact OD1-NZ 2.7Å; D325-K342 PolarHBondContact OD1-NZ 3.08Å; D325-K342 WeakPolarHBondContact OD2-CE 3.22Å; D325-K342 IonicContact OD2-NZ 2.74Å; D325-K342 PolarHBondContact OD2-NZ 2.8Å; M327-K342 HydrophobicContact CE-CB 4.26Å; M327-K342 HydrophobicContact SD-CB 3.56Å; M327-K342 VanDerWaalsContact SD-CB 3.56Å; M327-K342 HydrophobicContact SD-CD 4.4Å; M327-K342 HydrophobicContact SD-CG 3.93Å |
| 343 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 136.5 | 173 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | L279 L283 L316 L320 D325 H326 A328 E347 | L279-V343 HydrophobicContact CD2-CG1 4.19Å; L283-V343 HydrophobicContact CD2-CG2 3.8Å; L316-V343 HydrophobicContact CD1-CG2 4.17Å; L316-V343 HydrophobicContact CD2-CB 4.47Å; L320-V343 HydrophobicContact CD1-CG1 4.03Å; D325-V343 WeakPolarHBondContact CA-O 3.38Å; D325-V343 WeakPolarHBondContact CB-O 3.3Å; H326-V343 PolarHBondContact N-O 3.42Å; H326-V343 PolarHBondContact O-N 3.35Å; A328-V343 HydrophobicContact CB-CG2 4.37Å; V343-E347 WeakPolarHBondContact CA-OE2 3.33Å |
| 344 | T | 98.6 | Very high | 97.1 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 159.1 | -179 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | D325 V346 E347 F348 | D325-T344 HydrophobicContact CB-CG2 4.05Å; T344-V346 VanDerWaalsContact C-N 3.29Å; T344-E347 PolarHBondContact N-OE2 2.73Å; T344-E347 VanDerWaalsContact OG1-CB 3.23Å; T344-E347 WeakPolarHBondContact OG1-CB 3.38Å; T344-E347 PolarHBondContact OG1-N 2.86Å; T344-F348 WeakPolarHBondContact O-CB 3.15Å; T344-F348 PolarHBondContact O-N 3.24Å |
| 345 | R | 98.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 58 Ų | 58 | 22% | 0.223 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 170.7 | -179.6 | -175.4 | -62.5 | 171.7 | 1.9 | 111 | L320 S321 A322 N323 A324 F348 E349 | L320-R345 VanDerWaalsContact O-CZ 3.31Å; L320-R345 PolarHBondContact O-NE 3.13Å; L320-R345 PolarHBondContact O-NH2 2.72Å; S321-R345 PolarHBondContact O-NH2 2.97Å; A322-R345 PolarHBondContact O-NH2 2.8Å; N323-R345 VanDerWaalsContact C-NH2 3.31Å; N323-R345 PolarHBondContact O-NE 2.96Å; N323-R345 PolarHBondContact O-NH2 2.87Å; A324-R345 WeakPolarHBondContact O-CB 3.4Å; A324-R345 PolarHBondContact O-N 2.9Å; R345-F348 WeakPolarHBondContact O-CB 3.38Å; R345-F348 PolarHBondContact O-N 3.07Å; R345-E349 WeakPolarHBondContact CD-OE1 3.14Å; R345-E349 HydrophobicContact CG-CG 4.2Å; R345-E349 VanDerWaalsContact CG-OE1 3.24Å; R345-E349 WeakPolarHBondContact CG-OE1 3.49Å; R345-E349 WeakPolarHBondContact O-CB 3.38Å; R345-E349 VanDerWaalsContact O-CG 3.32Å; R345-E349 WeakPolarHBondContact O-CG 3.45Å; R345-E349 PolarHBondContact O-N 3.07Å |
| 346 | V | 98.4 | Very high | 97.6 | Very high | 89 Ų | 89 | 54 Ų | 54 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | T344 F348 E349 E350 | T344-V346 VanDerWaalsContact C-N 3.29Å; V346-F348 VanDerWaalsContact C-N 3.33Å; V346-F348 PolarHBondContact O-N 3.1Å; V346-E349 PolarHBondContact O-N 3.05Å; V346-E349 VanDerWaalsContact O-N 3.11Å; V346-E350 HydrophobicContact CG1-CG 4.42Å; V346-E350 WeakPolarHBondContact O-CB 3.35Å; V346-E350 WeakPolarHBondContact O-CG 3.43Å; V346-E350 PolarHBondContact O-N 3.47Å |
| 347 | E | 98.1 | Very high | 97.9 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 174.9 | 176.8 | -178.1 | -153.8 | 0 | 0 | 112.4 | R282 V343 T344 E349 L351 | R282-E347 IonicContact CZ-OE1 3.2Å; R282-E347 IonicContact NE-OE1 2.87Å; R282-E347 PolarHBondContact NE-OE1 2.73Å; R282-E347 IonicContact NH2-OE1 3.2Å; R282-E347 PolarHBondContact NH2-OE1 2.75Å; V343-E347 WeakPolarHBondContact CA-OE2 3.33Å; T344-E347 PolarHBondContact N-OE2 2.73Å; T344-E347 VanDerWaalsContact OG1-CB 3.23Å; T344-E347 WeakPolarHBondContact OG1-CB 3.38Å; T344-E347 PolarHBondContact OG1-N 2.86Å; E347-E349 VanDerWaalsContact C-N 3.34Å; E347-L351 HydrophobicContact CG-CD1 4.38Å; E347-L351 WeakPolarHBondContact O-CB 3.08Å; E347-L351 WeakPolarHBondContact O-CD1 3.47Å; E347-L351 WeakPolarHBondContact O-CG 3.2Å; E347-L351 PolarHBondContact O-N 2.88Å |
| 348 | F | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 174.2 | 167.5 | -123 | 0 | 0 | 0 | 112.4 | M275 L279 K317 L320 T344 R345 V346 C352 V389 | M275-F348 HydrophobicContact CB-CE2 3.91Å; M275-F348 HydrophobicContact CB-CZ 4.07Å; M275-F348 HydrophobicContact CG-CE2 4.47Å; M275-F348 HydrophobicContact CG-CZ 4.35Å; M275-F348 HydrophobicContact SD-CZ 4.21Å; L279-F348 HydrophobicContact CD1-CD2 3.6Å; L279-F348 HydrophobicContact CD1-CE2 3.64Å; L279-F348 HydrophobicContact CD1-CG 4.45Å; L279-F348 HydrophobicContact CD2-CB 4.27Å; L279-F348 HydrophobicContact CD2-CD2 3.72Å; L279-F348 HydrophobicContact CD2-CG 4.33Å; L279-F348 HydrophobicContact CG-CD2 3.62Å; L279-F348 HydrophobicContact CG-CE2 3.96Å; K317-F348 HydrophobicContact CG-CZ 4.22Å; L320-F348 HydrophobicContact CD1-CB 3.93Å; L320-F348 HydrophobicContact CD1-CG 4.31Å; T344-F348 WeakPolarHBondContact O-CB 3.15Å; T344-F348 PolarHBondContact O-N 3.24Å; R345-F348 WeakPolarHBondContact O-CB 3.38Å; R345-F348 PolarHBondContact O-N 3.07Å; V346-F348 VanDerWaalsContact C-N 3.33Å; V346-F348 PolarHBondContact O-N 3.1Å; F348-C352 VanDerWaalsContact CE2-SG 3.52Å; F348-C352 PolarHBondContact O-N 2.94Å; F348-C352 PolarHBondContact O-SG 3.23Å; F348-V389 HydrophobicContact CE1-CG1 3.97Å; F348-V389 HydrophobicContact CE1-CG2 4.35Å; F348-V389 HydrophobicContact CZ-CG2 4.48Å |
| 349 | E | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.9 | -37 | -179.2 | -73.3 | 171.5 | 176.6 | 0 | 0 | 112 | R345 V346 E347 C352 A353 F356 R391 | R345-E349 WeakPolarHBondContact CD-OE1 3.14Å; R345-E349 HydrophobicContact CG-CG 4.2Å; R345-E349 VanDerWaalsContact CG-OE1 3.24Å; R345-E349 WeakPolarHBondContact CG-OE1 3.49Å; R345-E349 WeakPolarHBondContact O-CB 3.38Å; R345-E349 VanDerWaalsContact O-CG 3.32Å; R345-E349 WeakPolarHBondContact O-CG 3.45Å; R345-E349 PolarHBondContact O-N 3.07Å; V346-E349 PolarHBondContact O-N 3.05Å; V346-E349 VanDerWaalsContact O-N 3.11Å; E347-E349 VanDerWaalsContact C-N 3.34Å; E349-C352 CarbonylContact O-C 3.48Å; E349-C352 PolarHBondContact O-N 3Å; E349-A353 PolarHBondContact O-N 2.62Å; E349-A353 VanDerWaalsContact O-N 3.11Å; E349-F356 HydrophobicContact CB-CE2 4.02Å; E349-F356 HydrophobicContact CG-CE2 4.12Å; E349-F356 HydrophobicContact CG-CZ 4.25Å; E349-F356 WeakPolarHBondContact O-CE2 3.43Å; E349-R391 HydrophobicContact CG-CB 3.9Å; E349-R391 HydrophobicContact CG-CG 4.31Å |
| 350 | E | 98.4 | Very high | 98.3 | Very high | 140 Ų | 140 | 51.7 Ų | 51.7 | 65% | 0.654 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.1 | -45.5 | 170.8 | -74.6 | 173.3 | 172.6 | 0 | 0 | 111.7 | V346 C352 A353 | V346-E350 HydrophobicContact CG1-CG 4.42Å; V346-E350 WeakPolarHBondContact O-CB 3.35Å; V346-E350 WeakPolarHBondContact O-CG 3.43Å; V346-E350 PolarHBondContact O-N 3.47Å; E350-C352 PolarHBondContact O-N 3.01Å; E350-A353 PolarHBondContact O-N 3.05Å |
| 351 | L | 98.4 | Very high | 98.4 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -27.8 | 175.6 | -74.6 | 167.1 | 0 | 0 | 0 | 113.2 | R278 R282 E347 | R278-L351 HydrophobicContact CB-CB 4.41Å; R278-L351 WeakPolarHBondContact CD-O 3.47Å; R278-L351 PolarHBondContact NE-O 3.28Å; R278-L351 VanDerWaalsContact NE-O 3.13Å; R282-L351 HydrophobicContact CB-CD1 3.84Å; R282-L351 HydrophobicContact CG-CD1 3.94Å; E347-L351 HydrophobicContact CG-CD1 4.38Å; E347-L351 WeakPolarHBondContact O-CB 3.08Å; E347-L351 WeakPolarHBondContact O-CD1 3.47Å; E347-L351 WeakPolarHBondContact O-CG 3.2Å; E347-L351 PolarHBondContact O-N 2.88Å |
| 352 | C | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 11.9 | -174.7 | -58.4 | 0 | 0 | 0 | 0 | 113.8 | R278 F348 E349 E350 D354 L355 F356 | R278-C352 VanDerWaalsContact CD-SG 3.54Å; F348-C352 VanDerWaalsContact CE2-SG 3.52Å; F348-C352 PolarHBondContact O-N 2.94Å; F348-C352 PolarHBondContact O-SG 3.23Å; E349-C352 CarbonylContact O-C 3.48Å; E349-C352 PolarHBondContact O-N 3Å; E350-C352 PolarHBondContact O-N 3.01Å; C352-D354 VanDerWaalsContact C-N 3.28Å; C352-D354 PolarHBondContact O-N 3.26Å; C352-L355 HydrophobicContact CB-CD1 4.36Å; C352-L355 WeakPolarHBondContact O-CB 3.41Å; C352-L355 PolarHBondContact O-N 3.25Å; C352-F356 HydrophobicContact CB-CD2 4.32Å; C352-F356 HydrophobicContact CB-CE1 4.44Å; C352-F356 HydrophobicContact CB-CE2 3.6Å; C352-F356 HydrophobicContact CB-CZ 3.66Å; C352-F356 VanDerWaalsContact O-CD2 3.26Å; C352-F356 WeakPolarHBondContact O-CD2 3.16Å; C352-F356 PolarHBondContact O-N 3.43Å |
| 353 | A | 98.4 | Very high | 98.4 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 40% | 0.397 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.7 | -43.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E349 E350 L355 F356 E357 | E349-A353 PolarHBondContact O-N 2.62Å; E349-A353 VanDerWaalsContact O-N 3.11Å; E350-A353 PolarHBondContact O-N 3.05Å; A353-L355 VanDerWaalsContact C-N 3.25Å; A353-L355 PolarHBondContact O-N 2.85Å; A353-F356 PolarHBondContact O-N 3.39Å; A353-F356 VanDerWaalsContact O-N 3.12Å; A353-E357 PolarHBondContact O-N 2.86Å; A353-E357 VanDerWaalsContact O-N 3.12Å |
| 354 | D | 98.3 | Very high | 98.4 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -26.4 | 178.8 | 76.2 | -67.2 | 0 | 0 | 0 | 113.7 | R278 C352 R358 | R278-D354 IonicContact CZ-OD1 3.84Å; R278-D354 IonicContact CZ-OD2 3.23Å; R278-D354 IonicContact NE-OD1 3.35Å; R278-D354 PolarHBondContact NE-OD1 3.38Å; R278-D354 IonicContact NH2-OD1 2.7Å; R278-D354 PolarHBondContact NH2-OD1 3.1Å; R278-D354 IonicContact NH2-OD2 2.67Å; R278-D354 PolarHBondContact NH2-OD2 3.35Å; C352-D354 VanDerWaalsContact C-N 3.28Å; C352-D354 PolarHBondContact O-N 3.26Å; D354-R358 VanDerWaalsContact O-CD 3.27Å; D354-R358 WeakPolarHBondContact O-CD 3.31Å |
| 355 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77.4 | -37.9 | 174.5 | -57.4 | -176 | 0 | 0 | 0 | 111 | L270 E274 M275 C352 A353 R358 | L270-L355 HydrophobicContact CD1-CB 3.72Å; L270-L355 HydrophobicContact CD1-CD2 4.19Å; L270-L355 HydrophobicContact CD1-CG 4.47Å; L270-L355 VanDerWaalsContact CD1-O 3.28Å; L270-L355 WeakPolarHBondContact CD1-O 3.37Å; E274-L355 HydrophobicContact CB-CD1 4.02Å; E274-L355 HydrophobicContact CG-CD1 4.02Å; E274-L355 HydrophobicContact CG-CD2 3.84Å; M275-L355 HydrophobicContact CG-CD1 3.78Å; C352-L355 HydrophobicContact CB-CD1 4.36Å; C352-L355 WeakPolarHBondContact O-CB 3.41Å; C352-L355 PolarHBondContact O-N 3.25Å; A353-L355 VanDerWaalsContact C-N 3.25Å; A353-L355 PolarHBondContact O-N 2.85Å; L355-R358 PolarHBondContact O-N 3.47Å |
| 356 | F | 98.5 | Very high | 98.4 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -33 | 179 | -55.4 | -49 | 0 | 0 | 0 | 112.4 | M275 E349 C352 A353 R358 V359 V389 R391 V392 V395 | M275-F356 HydrophobicContact CE-CD1 4.35Å; M275-F356 HydrophobicContact CE-CE1 3.65Å; M275-F356 HydrophobicContact CE-CZ 4.4Å; E349-F356 HydrophobicContact CB-CE2 4.02Å; E349-F356 HydrophobicContact CG-CE2 4.12Å; E349-F356 HydrophobicContact CG-CZ 4.25Å; E349-F356 WeakPolarHBondContact O-CE2 3.43Å; C352-F356 HydrophobicContact CB-CD2 4.32Å; C352-F356 HydrophobicContact CB-CE1 4.44Å; C352-F356 HydrophobicContact CB-CE2 3.6Å; C352-F356 HydrophobicContact CB-CZ 3.66Å; C352-F356 VanDerWaalsContact O-CD2 3.26Å; C352-F356 WeakPolarHBondContact O-CD2 3.16Å; C352-F356 PolarHBondContact O-N 3.43Å; A353-F356 PolarHBondContact O-N 3.39Å; A353-F356 VanDerWaalsContact O-N 3.12Å; F356-R358 PolarHBondContact O-N 2.86Å; F356-R358 VanDerWaalsContact O-N 3.15Å; F356-V359 WeakPolarHBondContact O-CB 3.47Å; F356-V359 PolarHBondContact O-N 3.5Å; F356-V389 HydrophobicContact CE1-CG1 4.2Å; F356-V389 HydrophobicContact CZ-CG1 4.27Å; F356-R391 HydrophobicContact CB-CG 4.42Å; F356-R391 HydrophobicContact CD1-CB 4.33Å; F356-R391 HydrophobicContact CD1-CG 4.02Å; F356-R391 HydrophobicContact CD2-CB 4.31Å; F356-R391 HydrophobicContact CD2-CG 3.44Å; F356-R391 VanDerWaalsContact CD2-CG 3.44Å; F356-R391 HydrophobicContact CE1-CB 4.01Å; F356-R391 HydrophobicContact CE1-CG 4.11Å; F356-R391 HydrophobicContact CE2-CB 3.98Å; F356-R391 HydrophobicContact CE2-CG 3.53Å; F356-R391 HydrophobicContact CG-CB 4.49Å; F356-R391 HydrophobicContact CG-CG 3.71Å; F356-R391 HydrophobicContact CZ-CB 3.82Å; F356-R391 HydrophobicContact CZ-CG 3.88Å; F356-V392 HydrophobicContact CD1-CG2 3.95Å; F356-V392 HydrophobicContact CE1-CG2 3.71Å; F356-V395 HydrophobicContact CB-CG2 4.38Å |
| 357 | E | 98.4 | Very high | 98.4 | Very high | 162 Ų | 162 | 43 Ų | 43 | 76% | 0.757 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.5 | 172 | -70.9 | -177 | 173.5 | 0 | 0 | 113.2 | A353 P360 | A353-E357 PolarHBondContact O-N 2.86Å; A353-E357 VanDerWaalsContact O-N 3.12Å; E357-P360 WeakPolarHBondContact O-CD 3.18Å |
| 358 | R | 98.4 | Very high | 98.4 | Very high | 79 Ų | 79 | 48 Ų | 48 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -16.1 | 179.8 | -65.8 | 158.3 | 60.5 | 177 | 2 | 114.2 | D267 T269 L270 D354 L355 F356 P360 G361 P362 | D267-R358 IonicContact OD1-NH2 3.84Å; D267-R358 PolarHBondContact OD1-NH2 2.65Å; D267-R358 IonicContact OD2-CZ 2.64Å; D267-R358 VanDerWaalsContact OD2-CZ 3.26Å; D267-R358 IonicContact OD2-NE 2.82Å; D267-R358 PolarHBondContact OD2-NE 2.89Å; D267-R358 IonicContact OD2-NH2 3.31Å; D267-R358 PolarHBondContact OD2-NH2 2.73Å; T269-R358 PolarHBondContact OG1-NH2 3.39Å; L270-R358 HydrophobicContact CD1-CB 4.42Å; L270-R358 HydrophobicContact CD2-CB 3.86Å; D354-R358 VanDerWaalsContact O-CD 3.27Å; D354-R358 WeakPolarHBondContact O-CD 3.31Å; L355-R358 PolarHBondContact O-N 3.47Å; F356-R358 PolarHBondContact O-N 2.86Å; F356-R358 VanDerWaalsContact O-N 3.15Å; R358-P360 VanDerWaalsContact C-CD 3.44Å; R358-P360 VanDerWaalsContact C-N 3.33Å; R358-G361 PolarHBondContact O-N 3.44Å; R358-P362 WeakPolarHBondContact O-CD 3.35Å |
| 359 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -39.8 | 179.3 | 163.8 | 0 | 0 | 0 | 0 | 113.7 | Y231 L270 F356 G361 V392 V395 L396 | Y231-V359 WeakPolarHBondContact OH-CG1 2.91Å; Y231-V359 PolarHBondContact OH-O 3.15Å; L270-V359 HydrophobicContact CD2-CG2 4.48Å; F356-V359 WeakPolarHBondContact O-CB 3.47Å; F356-V359 PolarHBondContact O-N 3.5Å; V359-G361 VanDerWaalsContact C-N 3.32Å; V359-G361 PolarHBondContact O-N 3.14Å; V359-V392 HydrophobicContact CG1-CG1 4.45Å; V359-V392 HydrophobicContact CG2-CG1 4.21Å; V359-V395 HydrophobicContact CB-CG1 4.07Å; V359-V395 HydrophobicContact CG1-CB 4.35Å; V359-V395 HydrophobicContact CG1-CG1 4.07Å; V359-L396 HydrophobicContact CG1-CB 3.88Å; V359-L396 HydrophobicContact CG1-CD1 4.39Å |
| 360 | P | 98.6 | Very high | 98.4 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.1 | -19.8 | 176.6 | -21.1 | 35.4 | 0 | 0 | 0 | 115.1 | E357 R358 V363 Q364 V395 A399 | E357-P360 WeakPolarHBondContact O-CD 3.18Å; R358-P360 VanDerWaalsContact C-CD 3.44Å; R358-P360 VanDerWaalsContact C-N 3.33Å; P360-V363 WeakPolarHBondContact O-CB 3.4Å; P360-V363 PolarHBondContact O-N 2.98Å; P360-Q364 WeakPolarHBondContact O-CG 3.38Å; P360-Q364 PolarHBondContact O-N 3.19Å; P360-Q364 VanDerWaalsContact O-N 3.11Å; P360-V395 HydrophobicContact CG-CG1 4.04Å; P360-A399 HydrophobicContact CB-CB 3.88Å; P360-A399 HydrophobicContact CG-CB 3.96Å |
| 361 | G | 98.2 | Very high | 98.3 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -51.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | R358 V359 V363 Q364 Q365 | R358-G361 PolarHBondContact O-N 3.44Å; V359-G361 VanDerWaalsContact C-N 3.32Å; V359-G361 PolarHBondContact O-N 3.14Å; G361-V363 VanDerWaalsContact C-N 3.27Å; G361-V363 PolarHBondContact O-N 3.41Å; G361-Q364 PolarHBondContact O-N 2.73Å; G361-Q365 WeakPolarHBondContact O-CG 3.4Å; G361-Q365 PolarHBondContact O-N 3.45Å |
| 362 | P | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.7 | -35.6 | 174.8 | -29.5 | 38.3 | 0 | 0 | 0 | 113.7 | Y231 T238 C240 G265 D267 R358 A366 | Y231-P362 HydrophobicContact CE2-CB 4.36Å; T238-P362 HydrophobicContact CG2-CB 4.28Å; T238-P362 HydrophobicContact CG2-CG 3.81Å; C240-P362 HydrophobicContact CB-CB 3.71Å; C240-P362 WeakPolarHBondContact CB-O 2.99Å; G265-P362 WeakPolarHBondContact CA-O 3.33Å; D267-P362 HydrophobicContact CB-CG 4.25Å; R358-P362 WeakPolarHBondContact O-CD 3.35Å; P362-A366 VanDerWaalsContact O-CB 3.31Å; P362-A366 WeakPolarHBondContact O-CB 3.47Å; P362-A366 PolarHBondContact O-N 3.22Å |
| 363 | V | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 176.2 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | M229 Y231 P360 G361 A366 L367 L396 V400 | M229-V363 HydrophobicContact CE-CG1 3.92Å; M229-V363 HydrophobicContact SD-CG1 3.97Å; M229-V363 HydrophobicContact SD-CG2 4.37Å; Y231-V363 HydrophobicContact CD2-CG2 3.8Å; Y231-V363 HydrophobicContact CE2-CG2 3.85Å; P360-V363 WeakPolarHBondContact O-CB 3.4Å; P360-V363 PolarHBondContact O-N 2.98Å; G361-V363 VanDerWaalsContact C-N 3.27Å; G361-V363 PolarHBondContact O-N 3.41Å; V363-A366 PolarHBondContact O-N 2.89Å; V363-L367 HydrophobicContact CG1-CD1 4Å; V363-L367 WeakPolarHBondContact O-CG 3.47Å; V363-L367 PolarHBondContact O-N 2.87Å; V363-L396 HydrophobicContact CG2-CD1 3.69Å; V363-V400 HydrophobicContact CG1-CG1 4.16Å; V363-V400 HydrophobicContact CG2-CG1 4.31Å |
| 364 | Q | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 50.6 Ų | 50.6 | 61% | 0.607 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.5 | -44.9 | 179.9 | -66.5 | 169.7 | 10 | 0 | 0 | 111.6 | P360 G361 A366 L367 Q368 | P360-Q364 WeakPolarHBondContact O-CG 3.38Å; P360-Q364 PolarHBondContact O-N 3.19Å; P360-Q364 VanDerWaalsContact O-N 3.11Å; G361-Q364 PolarHBondContact O-N 2.73Å; Q364-A366 PolarHBondContact O-N 2.95Å; Q364-L367 PolarHBondContact O-N 3.37Å; Q364-Q368 VanDerWaalsContact O-CB 3.29Å; Q364-Q368 WeakPolarHBondContact O-CB 3.31Å; Q364-Q368 PolarHBondContact O-N 2.85Å |
| 365 | Q | 98.3 | Very high | 98.1 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 175.1 | -70.6 | 176 | 19.1 | 0 | 0 | 112.8 | G265 F266 G361 S369 | G265-Q365 VanDerWaalsContact CA-CB 3.47Å; F266-Q365 PolarHBondContact O-NE2 3.42Å; F266-Q365 PolarHBondContact O-OE1 2.86Å; G361-Q365 WeakPolarHBondContact O-CG 3.4Å; G361-Q365 PolarHBondContact O-N 3.45Å; Q365-S369 WeakPolarHBondContact O-CB 3.06Å; Q365-S369 PolarHBondContact O-N 2.9Å; Q365-S369 PolarHBondContact O-OG 3.26Å |
| 366 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | C240 I242 G263 P362 V363 Q364 S369 A370 | C240-A366 HydrophobicContact CB-CB 4.07Å; I242-A366 HydrophobicContact CD1-CB 4.03Å; I242-A366 HydrophobicContact CG1-CB 4.16Å; G263-A366 WeakPolarHBondContact CA-O 3.42Å; P362-A366 VanDerWaalsContact O-CB 3.31Å; P362-A366 WeakPolarHBondContact O-CB 3.47Å; P362-A366 PolarHBondContact O-N 3.22Å; V363-A366 PolarHBondContact O-N 2.89Å; Q364-A366 PolarHBondContact O-N 2.95Å; A366-S369 PolarHBondContact O-N 3.12Å; A366-S369 PolarHBondContact O-OG 2.93Å; A366-S369 VanDerWaalsContact O-OG 3.1Å; A366-A370 WeakPolarHBondContact O-CB 3.28Å; A366-A370 PolarHBondContact O-N 2.82Å |
| 367 | L | 98.6 | Very high | 98 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.2 | -71.3 | 166.7 | 0 | 0 | 0 | 111.6 | M229 I242 V363 Q364 S369 A370 E371 M372 L374 I377 | M229-L367 HydrophobicContact CE-CD2 4.07Å; M229-L367 HydrophobicContact CE-CG 4.08Å; I242-L367 HydrophobicContact CD1-CD2 3.78Å; I242-L367 HydrophobicContact CD1-CG 4.12Å; V363-L367 HydrophobicContact CG1-CD1 4Å; V363-L367 WeakPolarHBondContact O-CG 3.47Å; V363-L367 PolarHBondContact O-N 2.87Å; Q364-L367 PolarHBondContact O-N 3.37Å; L367-S369 VanDerWaalsContact C-N 3.33Å; L367-S369 PolarHBondContact O-N 3.14Å; L367-A370 PolarHBondContact O-N 3.44Å; L367-E371 PolarHBondContact O-N 3.04Å; L367-E371 VanDerWaalsContact O-N 3.11Å; L367-M372 PolarHBondContact O-N 2.96Å; L367-M372 VanDerWaalsContact O-N 3.15Å; L367-L374 HydrophobicContact CD1-CB 4.26Å; L367-L374 HydrophobicContact CD1-CD1 4.21Å; L367-I377 HydrophobicContact CD2-CD1 4.31Å; L367-I377 HydrophobicContact CD2-CG1 4.04Å |
| 368 | Q | 97.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 55.9 Ų | 55.9 | 64% | 0.64 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.3 | -39.2 | 178.4 | -170.3 | -169.8 | 31.3 | 0 | 0 | 112.5 | Q364 E371 | Q364-Q368 VanDerWaalsContact O-CB 3.29Å; Q364-Q368 WeakPolarHBondContact O-CB 3.31Å; Q364-Q368 PolarHBondContact O-N 2.85Å; Q368-E371 PolarHBondContact O-N 3.33Å |
| 369 | S | 97.4 | Very high | 97.9 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -78.4 | -25.6 | 178.6 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | G263 V264 Q365 A366 L367 E371 M473 | G263-S369 WeakPolarHBondContact CA-OG 3.37Å; V264-S369 PolarHBondContact N-OG 3.01Å; V264-S369 PolarHBondContact O-OG 3.4Å; V264-S369 VanDerWaalsContact O-OG 3.07Å; Q365-S369 WeakPolarHBondContact O-CB 3.06Å; Q365-S369 PolarHBondContact O-N 2.9Å; Q365-S369 PolarHBondContact O-OG 3.26Å; A366-S369 PolarHBondContact O-N 3.12Å; A366-S369 PolarHBondContact O-OG 2.93Å; A366-S369 VanDerWaalsContact O-OG 3.1Å; L367-S369 VanDerWaalsContact C-N 3.33Å; L367-S369 PolarHBondContact O-N 3.14Å; S369-E371 VanDerWaalsContact C-N 3.29Å; S369-M473 WeakPolarHBondContact O-CG 3.31Å |
| 370 | A | 97.9 | Very high | 97.8 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 17% | 0.165 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.7 | -15.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I242 R262 A366 L367 M372 | I242-A370 HydrophobicContact CD1-CB 3.99Å; R262-A370 HydrophobicContact CB-CB 4.04Å; R262-A370 WeakPolarHBondContact O-CA 3.35Å; A366-A370 WeakPolarHBondContact O-CB 3.28Å; A366-A370 PolarHBondContact O-N 2.82Å; L367-A370 PolarHBondContact O-N 3.44Å; A370-M372 HydrophobicContact CB-CB 3.93Å; A370-M372 HydrophobicContact CB-CG 3.77Å; A370-M372 HydrophobicContact CB-SD 3.84Å; A370-M372 PolarHBondContact O-N 2.82Å |
| 371 | E | 97.5 | Very high | 97.8 | Very high | 187 Ų | 187 | 53.1 Ų | 53.1 | 87% | 0.874 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 34.2 | -165.8 | -60.1 | 179.4 | -166.9 | 0 | 0 | 112.5 | L367 Q368 S369 | L367-E371 PolarHBondContact O-N 3.04Å; L367-E371 VanDerWaalsContact O-N 3.11Å; Q368-E371 PolarHBondContact O-N 3.33Å; S369-E371 VanDerWaalsContact C-N 3.29Å |
| 372 | M | 97.9 | Very high | 97.8 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | trans | -116.2 | 151.7 | -173.9 | -71.5 | 177.9 | 67.5 | 0 | 0 | 113.4 | N227 I242 R262 L367 A370 E376 I377 | N227-M372 HydrophobicContact CB-CE 3.9Å; N227-M372 WeakPolarHBondContact ND2-CE 3.47Å; I242-M372 HydrophobicContact CG2-CE 4.45Å; I242-M372 HydrophobicContact CG2-SD 3.98Å; R262-M372 HydrophobicContact CB-SD 4.41Å; L367-M372 PolarHBondContact O-N 2.96Å; L367-M372 VanDerWaalsContact O-N 3.15Å; A370-M372 HydrophobicContact CB-CB 3.93Å; A370-M372 HydrophobicContact CB-CG 3.77Å; A370-M372 HydrophobicContact CB-SD 3.84Å; A370-M372 PolarHBondContact O-N 2.82Å; M372-E376 HydrophobicContact CE-CB 3.6Å; M372-I377 HydrophobicContact CE-CD1 3.92Å | ||
| 373 | S | 97.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | trans | -84.5 | 163.2 | 168 | 70.6 | 0 | 0 | 0 | 0 | 112.6 | D375 E376 | S373-D375 VanDerWaalsContact C-N 3.3Å; S373-D375 PolarHBondContact O-N 3.37Å; S373-E376 WeakPolarHBondContact CB-OE2 3.49Å; S373-E376 PolarHBondContact N-OE2 3.23Å; S373-E376 PolarHBondContact O-N 3.38Å; S373-E376 WeakPolarHBondContact OG-CG 3.42Å; S373-E376 PolarHBondContact OG-OE2 3.12Å | ||
| 374 | L | 97.1 | Very high | 97.5 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -72.8 | -22.9 | 179.5 | -176.7 | 59.7 | 0 | 0 | 0 | 112.8 | L367 E376 I377 V400 K402 | L367-L374 HydrophobicContact CD1-CB 4.26Å; L367-L374 HydrophobicContact CD1-CD1 4.21Å; L374-E376 VanDerWaalsContact C-N 3.34Å; L374-I377 PolarHBondContact O-N 3.16Å; L374-V400 HydrophobicContact CD1-CB 4.21Å; L374-V400 WeakPolarHBondContact CD2-O 3.41Å; L374-K402 PolarHBondContact O-NZ 2.92Å |
| 375 | D | 96.6 | Very high | 97.3 | Very high | 145 Ų | 145 | 48.3 Ų | 48.3 | 78% | 0.775 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -27.1 | 177.7 | -61.7 | -42.9 | 0 | 0 | 0 | 112.2 | S373 I377 | S373-D375 VanDerWaalsContact C-N 3.3Å; S373-D375 PolarHBondContact O-N 3.37Å; D375-I377 PolarHBondContact O-N 2.93Å |
| 376 | E | 97.4 | Very high | 97.3 | Very high | 92 Ų | 92 | 45.6 Ų | 45.6 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6.1 | 174.9 | -68.6 | 165.1 | 81.4 | 0 | 0 | 114 | N227 M372 S373 L374 | N227-E376 WeakPolarHBondContact CB-O 3.23Å; N227-E376 PolarHBondContact ND2-O 3.43Å; N227-E376 VanDerWaalsContact ND2-O 3.15Å; M372-E376 HydrophobicContact CE-CB 3.6Å; S373-E376 WeakPolarHBondContact CB-OE2 3.49Å; S373-E376 PolarHBondContact N-OE2 3.23Å; S373-E376 PolarHBondContact O-N 3.38Å; S373-E376 WeakPolarHBondContact OG-CG 3.42Å; S373-E376 PolarHBondContact OG-OE2 3.12Å; L374-E376 VanDerWaalsContact C-N 3.34Å |
| 377 | I | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | -93 | 115.4 | 178.6 | -52.9 | -59.8 | 0 | 0 | 0 | 109.6 | N227 M229 I242 L367 M372 L374 D375 V380 K402 | N227-I377 HydrophobicContact CB-CD1 4.38Å; M229-I377 HydrophobicContact CB-CG2 3.73Å; M229-I377 HydrophobicContact CE-CD1 4.42Å; M229-I377 HydrophobicContact CE-CG1 4.17Å; I242-I377 HydrophobicContact CD1-CD1 4.06Å; I242-I377 HydrophobicContact CG1-CD1 4.17Å; I242-I377 HydrophobicContact CG2-CD1 3.74Å; L367-I377 HydrophobicContact CD2-CD1 4.31Å; L367-I377 HydrophobicContact CD2-CG1 4.04Å; M372-I377 HydrophobicContact CE-CD1 3.92Å; L374-I377 PolarHBondContact O-N 3.16Å; D375-I377 PolarHBondContact O-N 2.93Å; I377-V380 HydrophobicContact CG2-CG2 4.2Å; I377-K402 WeakPolarHBondContact O-CE 3.45Å; I377-K402 PolarHBondContact O-NZ 3.39Å | ||
| 378 | E | 96.4 | Very high | 97.1 | Very high | 109 Ų | 109 | 50.1 Ų | 50.1 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | trans | -73.8 | -45.3 | -177.8 | -59.7 | 179.5 | 156.3 | 0 | 0 | 111.9 | Q226 N227 I228 | Q226-E378 WeakPolarHBondContact CA-OE2 3.44Å; Q226-E378 VanDerWaalsContact CB-OE2 3.24Å; Q226-E378 WeakPolarHBondContact CB-OE2 3.39Å; Q226-E378 WeakPolarHBondContact CG-OE2 3.48Å; N227-E378 PolarHBondContact O-N 3.34Å; I228-E378 HydrophobicContact CD1-CB 4.22Å | ||
| 379 | Q | 96.7 | Very high | 97.1 | Very high | 42 Ų | 42 | 43.6 Ų | 43.6 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 143.4 | -179.3 | -167.5 | 173.3 | 38.6 | 0 | 0 | 111.4 | I228 M229 I381 N408 | I228-Q379 HydrophobicContact CD1-CB 3.99Å; M229-Q379 PolarHBondContact N-O 3.01Å; Q379-I381 HydrophobicContact CG-CG1 3.93Å; Q379-N408 PolarHBondContact NE2-ND2 3.42Å; Q379-N408 PolarHBondContact OE1-ND2 2.98Å |
| 380 | V | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.3 | 166.8 | -175.6 | 0 | 0 | 0 | 0 | 108 | M229 I377 V400 K402 L405 G406 | M229-V380 HydrophobicContact CB-CG2 4.19Å; M229-V380 HydrophobicContact CG-CG1 4.28Å; M229-V380 HydrophobicContact CG-CG2 4.5Å; M229-V380 CarbonylContact O-C 3.51Å; M229-V380 WeakPolarHBondContact O-CA 3.47Å; M229-V380 HydrophobicContact SD-CG1 4.14Å; M229-V380 HydrophobicContact SD-CG2 3.97Å; I377-V380 HydrophobicContact CG2-CG2 4.2Å; V380-V400 HydrophobicContact CB-CG2 4.45Å; V380-V400 HydrophobicContact CG1-CG1 4.36Å; V380-V400 HydrophobicContact CG2-CB 3.93Å; V380-V400 HydrophobicContact CG2-CG1 4.04Å; V380-V400 HydrophobicContact CG2-CG2 3.97Å; V380-K402 HydrophobicContact CG2-CG 4.35Å; V380-L405 HydrophobicContact CB-CD2 4.04Å; V380-L405 HydrophobicContact CG1-CD2 3.88Å; V380-G406 WeakPolarHBondContact O-CA 3.3Å; V380-G406 PolarHBondContact O-N 3.16Å |
| 381 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.7 | -175.1 | -60 | -179.1 | 0 | 0 | 0 | 109.8 | Y213 I228 M229 F230 Y231 Q379 G406 I409 | Y213-I381 HydrophobicContact CD2-CD1 3.7Å; Y213-I381 HydrophobicContact CE2-CD1 3.26Å; Y213-I381 HydrophobicContact CG-CD1 4.49Å; I228-I381 HydrophobicContact CG2-CD1 3.52Å; I228-I381 HydrophobicContact CG2-CG1 3.94Å; M229-I381 PolarHBondContact O-N 2.74Å; F230-I381 HydrophobicContact CD1-CB 4.08Å; F230-I381 HydrophobicContact CD1-CG2 4.18Å; F230-I381 HydrophobicContact CE1-CB 4.21Å; F230-I381 HydrophobicContact CE1-CD1 3.91Å; F230-I381 HydrophobicContact CE1-CG2 4.21Å; F230-I381 HydrophobicContact CZ-CD1 4.15Å; Y231-I381 PolarHBondContact N-O 3.09Å; Q379-I381 HydrophobicContact CG-CG1 3.93Å; I381-G406 WeakPolarHBondContact CA-O 3.3Å; I381-I409 HydrophobicContact CG2-CG2 3.7Å |
| 382 | L | 98.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 134.3 | -178.9 | -57.7 | -179.8 | 0 | 0 | 0 | 112.3 | T387 Q393 L396 L405 G406 K407 | L382-T387 HydrophobicContact CD2-CG2 4.33Å; L382-Q393 HydrophobicContact CD1-CG 3.74Å; L382-L396 HydrophobicContact CD2-CD2 3.55Å; L382-L405 HydrophobicContact CD1-CB 3.86Å; L382-L405 HydrophobicContact CD1-CD1 4.33Å; L382-L405 HydrophobicContact CD2-CB 4.16Å; L382-L405 HydrophobicContact CD2-CD1 4.18Å; L382-L405 HydrophobicContact CD2-CD2 4.3Å; L382-L405 HydrophobicContact CD2-CG 4.44Å; L382-L405 HydrophobicContact CG-CB 3.97Å; L382-G406 PolarHBondContact N-O 3.44Å; L382-K407 HydrophobicContact CD1-CG 4.29Å |
| 383 | V | 96.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 162.8 | 176.9 | -163.5 | 0 | 0 | 0 | 0 | 108.1 | T209 F230 Y231 D232 M233 T387 | T209-V383 HydrophobicContact CG2-CG1 4.06Å; T209-V383 HydrophobicContact CG2-CG2 3.78Å; F230-V383 HydrophobicContact CB-CG2 4.38Å; F230-V383 HydrophobicContact CD1-CG2 4.18Å; Y231-V383 PolarHBondContact O-N 3.35Å; D232-V383 WeakPolarHBondContact CA-O 3.48Å; D232-V383 HydrophobicContact CB-CB 3.83Å; D232-V383 HydrophobicContact CB-CG1 4.21Å; D232-V383 VanDerWaalsContact OD2-CG1 3.32Å; D232-V383 WeakPolarHBondContact OD2-CG1 3.2Å; M233-V383 PolarHBondContact N-O 2.97Å; V383-T387 WeakPolarHBondContact O-CG2 3.5Å; V383-T387 PolarHBondContact O-OG1 3.12Å |
| 384 | G | 94.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 79.5 | 154 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D232 M233 A386 T387 | D232-G384 WeakPolarHBondContact OD1-CA 3.43Å; M233-G384 CarbonylContact O-C 3.48Å; M233-G384 VanDerWaalsContact O-C 3.26Å; G384-A386 PolarHBondContact O-N 3.03Å; G384-T387 PolarHBondContact O-OG1 2.92Å |
| 385 | G | 94.1 | Very high | 97.4 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 37% | 0.371 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -71.7 | -29.2 | -169 | 0 | 0 | 0 | 0 | 0 | 115.7 | M233 R388 | M233-G385 PolarHBondContact O-N 3.14Å; G385-R388 WeakPolarHBondContact O-CB 3.34Å |
| 386 | A | 97.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -90.3 | -12 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | M233 G234 G384 R388 V389 | M233-A386 HydrophobicContact CB-CB 4.5Å; M233-A386 HydrophobicContact CE-CB 4.34Å; M233-A386 HydrophobicContact CG-CB 3.95Å; M233-A386 WeakPolarHBondContact O-CB 3.27Å; M233-A386 PolarHBondContact O-N 3.29Å; M233-A386 HydrophobicContact SD-CB 4.34Å; G234-A386 WeakPolarHBondContact O-CB 3.39Å; G384-A386 PolarHBondContact O-N 3.03Å; A386-R388 PolarHBondContact O-N 3.08Å; A386-R388 VanDerWaalsContact O-N 3.12Å; A386-V389 WeakPolarHBondContact O-CB 3.39Å; A386-V389 PolarHBondContact O-N 3.25Å; A386-V389 VanDerWaalsContact O-N 3.11Å |
| 387 | T | 97.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -60.1 | -18.2 | 165.6 | 58 | 0 | 0 | 0 | 0 | 112.6 | Y231 M233 L382 V383 G384 V389 Q393 | Y231-T387 HydrophobicContact CD1-CG2 3.98Å; Y231-T387 HydrophobicContact CE1-CG2 4.25Å; M233-T387 HydrophobicContact CB-CG2 3.65Å; L382-T387 HydrophobicContact CD2-CG2 4.33Å; V383-T387 WeakPolarHBondContact O-CG2 3.5Å; V383-T387 PolarHBondContact O-OG1 3.12Å; G384-T387 PolarHBondContact O-OG1 2.92Å; T387-V389 PolarHBondContact O-N 3.22Å; T387-Q393 WeakPolarHBondContact O-CG 3.03Å; T387-Q393 PolarHBondContact O-NE2 3.27Å |
| 388 | R | 96.4 | Very high | 97.5 | Very high | 114 Ų | 114 | 41.6 Ų | 41.6 | 43% | 0.43 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -67.7 | -15.2 | 174.9 | -62.8 | -174.9 | 173.2 | 103 | 2.1 | 114.1 | G385 A386 D412 | G385-R388 WeakPolarHBondContact O-CB 3.34Å; A386-R388 PolarHBondContact O-N 3.08Å; A386-R388 VanDerWaalsContact O-N 3.12Å; R388-D412 IonicContact CZ-OD1 2.83Å; R388-D412 IonicContact NH1-OD1 2.75Å; R388-D412 PolarHBondContact NH1-OD1 3.24Å; R388-D412 IonicContact NH1-OD2 3.55Å; R388-D412 IonicContact NH2-OD1 2.69Å; R388-D412 PolarHBondContact NH2-OD1 3.45Å; R388-D412 IonicContact NH2-OD2 2.74Å |
| 389 | V | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -69.5 | 123.5 | 173.8 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | M275 K317 F348 F356 A386 T387 R391 V392 Q393 | M275-V389 HydrophobicContact SD-CG2 4.13Å; K317-V389 HydrophobicContact CG-CG2 4.45Å; F348-V389 HydrophobicContact CE1-CG1 3.97Å; F348-V389 HydrophobicContact CE1-CG2 4.35Å; F348-V389 HydrophobicContact CZ-CG2 4.48Å; F356-V389 HydrophobicContact CE1-CG1 4.2Å; F356-V389 HydrophobicContact CZ-CG1 4.27Å; A386-V389 WeakPolarHBondContact O-CB 3.39Å; A386-V389 PolarHBondContact O-N 3.25Å; A386-V389 VanDerWaalsContact O-N 3.11Å; T387-V389 PolarHBondContact O-N 3.22Å; V389-R391 HydrophobicContact CG1-CB 4.48Å; V389-R391 PolarHBondContact O-N 3.07Å; V389-V392 HydrophobicContact CB-CB 4.43Å; V389-V392 HydrophobicContact CB-CG2 3.9Å; V389-V392 HydrophobicContact CG1-CG2 4.15Å; V389-V392 WeakPolarHBondContact O-CB 3.32Å; V389-V392 PolarHBondContact O-N 2.85Å; V389-Q393 PolarHBondContact O-N 3.48Å |
| 390 | P | 97.8 | Very high | 97.6 | Very high | 40 Ų | 40 | 36 Ų | 36 | 26% | 0.26 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -53.7 | -45.3 | -174.5 | -30.6 | 36.7 | 0 | 0 | 0 | 114.3 | S321 V392 Q393 E394 | S321-P390 WeakPolarHBondContact O-CG 3.43Å; P390-V392 VanDerWaalsContact C-N 3.27Å; P390-V392 PolarHBondContact O-N 2.94Å; P390-Q393 WeakPolarHBondContact O-CB 3.49Å; P390-Q393 PolarHBondContact O-N 2.95Å; P390-Q393 VanDerWaalsContact O-N 3.09Å; P390-E394 PolarHBondContact O-N 2.97Å |
| 391 | R | 98.3 | Very high | 97.4 | Very high | 91 Ų | 91 | 39 Ų | 39 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.8 | -29.2 | 178.8 | -168.9 | 60.9 | 174.5 | 175.2 | 2.8 | 114.3 | E349 F356 V389 E394 V395 | E349-R391 HydrophobicContact CG-CB 3.9Å; E349-R391 HydrophobicContact CG-CG 4.31Å; F356-R391 HydrophobicContact CB-CG 4.42Å; F356-R391 HydrophobicContact CD1-CB 4.33Å; F356-R391 HydrophobicContact CD1-CG 4.02Å; F356-R391 HydrophobicContact CD2-CB 4.31Å; F356-R391 HydrophobicContact CD2-CG 3.44Å; F356-R391 VanDerWaalsContact CD2-CG 3.44Å; F356-R391 HydrophobicContact CE1-CB 4.01Å; F356-R391 HydrophobicContact CE1-CG 4.11Å; F356-R391 HydrophobicContact CE2-CB 3.98Å; F356-R391 HydrophobicContact CE2-CG 3.53Å; F356-R391 HydrophobicContact CG-CB 4.49Å; F356-R391 HydrophobicContact CG-CG 3.71Å; F356-R391 HydrophobicContact CZ-CB 3.82Å; F356-R391 HydrophobicContact CZ-CG 3.88Å; V389-R391 HydrophobicContact CG1-CB 4.48Å; V389-R391 PolarHBondContact O-N 3.07Å; R391-E394 WeakPolarHBondContact CD-OE2 3.49Å; R391-E394 IonicContact CZ-OE1 3.48Å; R391-E394 IonicContact CZ-OE2 2.81Å; R391-E394 IonicContact NE-OE2 2.75Å; R391-E394 IonicContact NH1-OE1 3.67Å; R391-E394 PolarHBondContact NH1-OE1 3.5Å; R391-E394 IonicContact NH1-OE2 2.66Å; R391-E394 PolarHBondContact NH1-OE2 3.1Å; R391-V395 WeakPolarHBondContact O-CG2 3.43Å; R391-V395 PolarHBondContact O-N 3.1Å; R391-V395 VanDerWaalsContact O-N 3.1Å |
| 392 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.6 | -45.8 | 173 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | M233 M275 F356 V359 V389 P390 L396 | M233-V392 HydrophobicContact CE-CG2 4.47Å; M233-V392 HydrophobicContact SD-CB 4.48Å; M233-V392 HydrophobicContact SD-CG1 3.66Å; M233-V392 HydrophobicContact SD-CG2 3.92Å; M275-V392 HydrophobicContact CE-CG2 3.95Å; F356-V392 HydrophobicContact CD1-CG2 3.95Å; F356-V392 HydrophobicContact CE1-CG2 3.71Å; V359-V392 HydrophobicContact CG1-CG1 4.45Å; V359-V392 HydrophobicContact CG2-CG1 4.21Å; V389-V392 HydrophobicContact CB-CB 4.43Å; V389-V392 HydrophobicContact CB-CG2 3.9Å; V389-V392 HydrophobicContact CG1-CG2 4.15Å; V389-V392 WeakPolarHBondContact O-CB 3.32Å; V389-V392 PolarHBondContact O-N 2.85Å; P390-V392 VanDerWaalsContact C-N 3.27Å; P390-V392 PolarHBondContact O-N 2.94Å; V392-L396 WeakPolarHBondContact O-CB 3.45Å; V392-L396 PolarHBondContact O-N 2.69Å |
| 393 | Q | 98.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176 | -84.3 | 169.4 | 73.9 | 0 | 0 | 112.3 | L382 T387 V389 P390 L397 L405 | L382-Q393 HydrophobicContact CD1-CG 3.74Å; T387-Q393 WeakPolarHBondContact O-CG 3.03Å; T387-Q393 PolarHBondContact O-NE2 3.27Å; V389-Q393 PolarHBondContact O-N 3.48Å; P390-Q393 WeakPolarHBondContact O-CB 3.49Å; P390-Q393 PolarHBondContact O-N 2.95Å; P390-Q393 VanDerWaalsContact O-N 3.09Å; Q393-L397 WeakPolarHBondContact O-CB 3.41Å; Q393-L397 PolarHBondContact O-N 2.62Å; Q393-L405 HydrophobicContact CB-CD1 4.09Å; Q393-L405 HydrophobicContact CG-CD1 4.05Å; Q393-L405 WeakPolarHBondContact O-CD1 3.4Å |
| 394 | E | 98.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 56.8 Ų | 56.8 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -51.5 | 177.7 | -171.3 | -153.4 | 143.9 | 0 | 0 | 111.9 | P390 R391 L396 L397 K398 | P390-E394 PolarHBondContact O-N 2.97Å; R391-E394 WeakPolarHBondContact CD-OE2 3.49Å; R391-E394 IonicContact CZ-OE1 3.48Å; R391-E394 IonicContact CZ-OE2 2.81Å; R391-E394 IonicContact NE-OE2 2.75Å; R391-E394 IonicContact NH1-OE1 3.67Å; R391-E394 PolarHBondContact NH1-OE1 3.5Å; R391-E394 IonicContact NH1-OE2 2.66Å; R391-E394 PolarHBondContact NH1-OE2 3.1Å; E394-L396 PolarHBondContact O-N 3.15Å; E394-L397 PolarHBondContact O-N 2.9Å; E394-K398 WeakPolarHBondContact O-CB 3.34Å; E394-K398 PolarHBondContact O-N 3.26Å |
| 395 | V | 98.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 57 Ų | 57 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67 | -38.3 | -179.3 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | F356 V359 P360 R391 A399 | F356-V395 HydrophobicContact CB-CG2 4.38Å; V359-V395 HydrophobicContact CB-CG1 4.07Å; V359-V395 HydrophobicContact CG1-CB 4.35Å; V359-V395 HydrophobicContact CG1-CG1 4.07Å; P360-V395 HydrophobicContact CG-CG1 4.04Å; R391-V395 WeakPolarHBondContact O-CG2 3.43Å; R391-V395 PolarHBondContact O-N 3.1Å; R391-V395 VanDerWaalsContact O-N 3.1Å; V395-A399 VanDerWaalsContact O-CB 3.3Å; V395-A399 WeakPolarHBondContact O-CB 3.47Å; V395-A399 PolarHBondContact O-N 2.69Å |
| 396 | L | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 176.2 | -177.4 | 62.5 | 0 | 0 | 0 | 111.9 | Y231 V359 V363 L382 V392 E394 K398 A399 V400 L405 | Y231-L396 HydrophobicContact CD1-CD1 4.41Å; Y231-L396 HydrophobicContact CD1-CD2 3.48Å; Y231-L396 VanDerWaalsContact CD1-CD2 3.48Å; Y231-L396 HydrophobicContact CD2-CD1 3.71Å; Y231-L396 HydrophobicContact CD2-CD2 4.19Å; Y231-L396 HydrophobicContact CE1-CD1 4.41Å; Y231-L396 HydrophobicContact CE1-CD2 3.83Å; Y231-L396 HydrophobicContact CE2-CD1 3.71Å; Y231-L396 HydrophobicContact CE2-CD2 4.49Å; Y231-L396 HydrophobicContact CG-CD1 4.08Å; Y231-L396 HydrophobicContact CG-CD2 3.68Å; V359-L396 HydrophobicContact CG1-CB 3.88Å; V359-L396 HydrophobicContact CG1-CD1 4.39Å; V363-L396 HydrophobicContact CG2-CD1 3.69Å; L382-L396 HydrophobicContact CD2-CD2 3.55Å; V392-L396 WeakPolarHBondContact O-CB 3.45Å; V392-L396 PolarHBondContact O-N 2.69Å; E394-L396 PolarHBondContact O-N 3.15Å; L396-K398 VanDerWaalsContact C-N 3.29Å; L396-K398 PolarHBondContact O-N 3.36Å; L396-A399 CarbonylContact O-C 3.58Å; L396-A399 WeakPolarHBondContact O-CA 3.23Å; L396-A399 WeakPolarHBondContact O-CB 3.44Å; L396-A399 PolarHBondContact O-N 2.94Å; L396-V400 HydrophobicContact CD1-CG1 3.93Å; L396-V400 HydrophobicContact CG-CG1 4.43Å; L396-V400 WeakPolarHBondContact O-CG1 3.41Å; L396-V400 WeakPolarHBondContact O-CG2 3.5Å; L396-V400 PolarHBondContact O-N 3.09Å; L396-L405 HydrophobicContact CB-CD1 4.32Å; L396-L405 HydrophobicContact CD2-CD1 4.23Å; L396-L405 HydrophobicContact CD2-CD2 4.1Å; L396-L405 HydrophobicContact CG-CD1 4.33Å; L396-L405 HydrophobicContact CG-CD2 4.07Å |
| 397 | L | 98.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.8 | -47.2 | 177.4 | -176.3 | 72.9 | 0 | 0 | 0 | 110.4 | Q393 E394 A399 V400 G401 K402 L405 | Q393-L397 WeakPolarHBondContact O-CB 3.41Å; Q393-L397 PolarHBondContact O-N 2.62Å; E394-L397 PolarHBondContact O-N 2.9Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 2.91Å; L397-V400 PolarHBondContact O-N 2.93Å; L397-G401 PolarHBondContact O-N 2.83Å; L397-K402 VanDerWaalsContact CD1-O 3.22Å; L397-K402 WeakPolarHBondContact CD1-O 3.29Å; L397-L405 HydrophobicContact CB-CD1 3.93Å; L397-L405 HydrophobicContact CB-CG 4.26Å; L397-L405 HydrophobicContact CD1-CD1 4.43Å; L397-L405 HydrophobicContact CD1-CG 3.9Å |
| 398 | K | 98.1 | Very high | 96.7 | Very high | 180 Ų | 180 | 64.4 Ų | 64.4 | 78% | 0.783 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.9 | -35.8 | 175 | -175.5 | 176.9 | -179.9 | 178.4 | 0 | 113.1 | E394 L396 | E394-K398 WeakPolarHBondContact O-CB 3.34Å; E394-K398 PolarHBondContact O-N 3.26Å; L396-K398 VanDerWaalsContact C-N 3.29Å; L396-K398 PolarHBondContact O-N 3.36Å |
| 399 | A | 97.6 | Very high | 96.5 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -75.5 | -28.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P360 V395 L396 L397 | P360-A399 HydrophobicContact CB-CB 3.88Å; P360-A399 HydrophobicContact CG-CB 3.96Å; V395-A399 VanDerWaalsContact O-CB 3.3Å; V395-A399 WeakPolarHBondContact O-CB 3.47Å; V395-A399 PolarHBondContact O-N 2.69Å; L396-A399 CarbonylContact O-C 3.58Å; L396-A399 WeakPolarHBondContact O-CA 3.23Å; L396-A399 WeakPolarHBondContact O-CB 3.44Å; L396-A399 PolarHBondContact O-N 2.94Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 2.91Å |
| 400 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -97.4 | -9.5 | 179.9 | -53.2 | 0 | 0 | 0 | 0 | 114.6 | M229 V363 L374 V380 L396 L397 K402 L405 | M229-V400 HydrophobicContact SD-CG1 4.5Å; V363-V400 HydrophobicContact CG1-CG1 4.16Å; V363-V400 HydrophobicContact CG2-CG1 4.31Å; L374-V400 HydrophobicContact CD1-CB 4.21Å; L374-V400 WeakPolarHBondContact CD2-O 3.41Å; V380-V400 HydrophobicContact CB-CG2 4.45Å; V380-V400 HydrophobicContact CG1-CG1 4.36Å; V380-V400 HydrophobicContact CG2-CB 3.93Å; V380-V400 HydrophobicContact CG2-CG1 4.04Å; V380-V400 HydrophobicContact CG2-CG2 3.97Å; L396-V400 HydrophobicContact CD1-CG1 3.93Å; L396-V400 HydrophobicContact CG-CG1 4.43Å; L396-V400 WeakPolarHBondContact O-CG1 3.41Å; L396-V400 WeakPolarHBondContact O-CG2 3.5Å; L396-V400 PolarHBondContact O-N 3.09Å; L397-V400 PolarHBondContact O-N 2.93Å; V400-K402 HydrophobicContact CB-CG 4.41Å; V400-K402 HydrophobicContact CG2-CB 4.23Å; V400-K402 HydrophobicContact CG2-CG 3.96Å; V400-K402 WeakPolarHBondContact O-CE 3.18Å; V400-K402 WeakPolarHBondContact O-CG 3.41Å; V400-K402 PolarHBondContact O-N 3.16Å; V400-K402 VanDerWaalsContact O-N 3.1Å; V400-L405 HydrophobicContact CG2-CD2 3.92Å |
| 401 | G | 95.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 67% | 0.67 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 19.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L397 | L397-G401 PolarHBondContact O-N 2.83Š|
| 402 | K | 94.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | trans | -94.7 | 160.6 | 176.9 | -52.2 | -59.1 | 167.3 | 172.1 | 0 | 110.1 | L374 I377 V380 L397 V400 | L374-K402 PolarHBondContact O-NZ 2.92Å; I377-K402 WeakPolarHBondContact O-CE 3.45Å; I377-K402 PolarHBondContact O-NZ 3.39Å; V380-K402 HydrophobicContact CG2-CG 4.35Å; L397-K402 VanDerWaalsContact CD1-O 3.22Å; L397-K402 WeakPolarHBondContact CD1-O 3.29Å; V400-K402 HydrophobicContact CB-CG 4.41Å; V400-K402 HydrophobicContact CG2-CB 4.23Å; V400-K402 HydrophobicContact CG2-CG 3.96Å; V400-K402 WeakPolarHBondContact O-CE 3.18Å; V400-K402 WeakPolarHBondContact O-CG 3.41Å; V400-K402 PolarHBondContact O-N 3.16Å; V400-K402 VanDerWaalsContact O-N 3.1Å | ||
| 403 | E | 94.5 | Very high | 95.5 | Very high | 198 Ų | 198 | 61.1 Ų | 61.1 | 93% | 0.925 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -69.2 | -35 | 177.4 | -60.9 | -176.6 | 161.5 | 0 | 0 | 112.3 | ||
| 404 | E | 96.4 | Very high | 95.5 | Very high | 136 Ų | 136 | 59.2 Ų | 59.2 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | trans | -142.5 | 166.4 | 177.4 | 62.5 | 160.1 | -151.2 | 0 | 0 | 113.5 | ||||
| 405 | L | 97.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | trans | -109 | 122.9 | 171.7 | -68.2 | 165.9 | 0 | 0 | 0 | 109.4 | V380 L382 Q393 L396 L397 V400 K407 | V380-L405 HydrophobicContact CB-CD2 4.04Å; V380-L405 HydrophobicContact CG1-CD2 3.88Å; L382-L405 HydrophobicContact CD1-CB 3.86Å; L382-L405 HydrophobicContact CD1-CD1 4.33Å; L382-L405 HydrophobicContact CD2-CB 4.16Å; L382-L405 HydrophobicContact CD2-CD1 4.18Å; L382-L405 HydrophobicContact CD2-CD2 4.3Å; L382-L405 HydrophobicContact CD2-CG 4.44Å; L382-L405 HydrophobicContact CG-CB 3.97Å; Q393-L405 HydrophobicContact CB-CD1 4.09Å; Q393-L405 HydrophobicContact CG-CD1 4.05Å; Q393-L405 WeakPolarHBondContact O-CD1 3.4Å; L396-L405 HydrophobicContact CB-CD1 4.32Å; L396-L405 HydrophobicContact CD2-CD1 4.23Å; L396-L405 HydrophobicContact CD2-CD2 4.1Å; L396-L405 HydrophobicContact CG-CD1 4.33Å; L396-L405 HydrophobicContact CG-CD2 4.07Å; L397-L405 HydrophobicContact CB-CD1 3.93Å; L397-L405 HydrophobicContact CB-CG 4.26Å; L397-L405 HydrophobicContact CD1-CD1 4.43Å; L397-L405 HydrophobicContact CD1-CG 3.9Å; V400-L405 HydrophobicContact CG2-CD2 3.92Å; L405-K407 PolarHBondContact O-N 3.12Å | ||
| 406 | G | 95.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 126.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V380 I381 L382 | V380-G406 WeakPolarHBondContact O-CA 3.3Å; V380-G406 PolarHBondContact O-N 3.16Å; I381-G406 WeakPolarHBondContact CA-O 3.3Å; L382-G406 PolarHBondContact N-O 3.44Å |
| 407 | K | 94.3 | Very high | 95.4 | Very high | 143 Ų | 143 | 55.1 Ų | 55.1 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | trans | -118.9 | 22.9 | 178.1 | -67 | 159.5 | -173.2 | 173.3 | 0 | 111.6 | L382 L405 I409 | L382-K407 HydrophobicContact CD1-CG 4.29Å; L405-K407 PolarHBondContact O-N 3.12Å; K407-I409 PolarHBondContact O-N 2.99Å; K407-I409 VanDerWaalsContact O-N 3.16Å | ||
| 408 | N | 89.1 | Confident | 95.4 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | trans | -83.2 | 26.2 | -172.4 | 56.6 | -9.9 | 0 | 0 | 0 | 114.1 | R217 Q379 | R217-N408 PolarHBondContact NH1-ND2 2.8Å; R217-N408 PolarHBondContact NH2-ND2 2.81Å; Q379-N408 PolarHBondContact NE2-ND2 3.42Å; Q379-N408 PolarHBondContact OE1-ND2 2.98Å | ||
| 409 | I | 92.4 | Very high | 95.4 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -150.6 | 149.5 | 178.9 | -161 | 170.9 | 0 | 0 | 0 | 110.4 | T209 I381 K407 A411 A414 | T209-I409 HydrophobicContact CG2-CD1 4.1Å; I381-I409 HydrophobicContact CG2-CG2 3.7Å; K407-I409 PolarHBondContact O-N 2.99Å; K407-I409 VanDerWaalsContact O-N 3.16Å; I409-A411 VanDerWaalsContact C-N 3.34Å; I409-A411 PolarHBondContact O-N 3.31Å; I409-A414 HydrophobicContact CD1-CB 3.56Å; I409-A414 HydrophobicContact CG1-CB 3.88Å |
| 410 | N | 93.8 | Very high | 95.5 | Very high | 76 Ų | 76 | 42 Ų | 42 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | trans | -74 | 89.9 | 169.3 | -174.5 | -10.9 | 0 | 0 | 0 | 109.8 | D412 E413 A414 | N410-D412 PolarHBondContact O-N 3.1Å; N410-D412 PolarHBondContact OD1-N 2.9Å; N410-D412 VanDerWaalsContact OD1-N 3.17Å; N410-E413 HydrophobicContact CB-CB 4.41Å; N410-E413 WeakPolarHBondContact ND2-CG 3.48Å; N410-E413 PolarHBondContact ND2-OE1 2.9Å; N410-E413 VanDerWaalsContact ND2-OE1 3.08Å; N410-E413 PolarHBondContact ND2-OE2 3.42Å; N410-E413 PolarHBondContact O-N 3.16Å; N410-A414 WeakPolarHBondContact O-CB 3.43Å; N410-A414 PolarHBondContact O-N 2.79Å | ||
| 411 | A | 89.3 | Confident | 95.5 | Very high | 19 Ų | 19 | 43 Ų | 43 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -17.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I409 | I409-A411 VanDerWaalsContact C-N 3.34Å; I409-A411 PolarHBondContact O-N 3.31Å |
| 412 | D | 92.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 40.9 Ų | 40.9 | 11% | 0.112 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -23.7 | 176.8 | -78.6 | 17.1 | 0 | 0 | 0 | 113 | K46 K67 R388 N410 | K46-D412 WeakPolarHBondContact CD-O 3.49Å; K46-D412 WeakPolarHBondContact CE-O 3.49Å; K46-D412 PolarHBondContact NZ-O 2.76Å; K67-D412 HydrophobicContact CD-CB 4.24Å; K67-D412 WeakPolarHBondContact CD-OD2 3.44Å; K67-D412 WeakPolarHBondContact CE-OD2 3.47Å; K67-D412 IonicContact NZ-OD2 2.71Å; K67-D412 PolarHBondContact NZ-OD2 2.94Å; R388-D412 IonicContact CZ-OD1 2.83Å; R388-D412 IonicContact NH1-OD1 2.75Å; R388-D412 PolarHBondContact NH1-OD1 3.24Å; R388-D412 IonicContact NH1-OD2 3.55Å; R388-D412 IonicContact NH2-OD1 2.69Å; R388-D412 PolarHBondContact NH2-OD1 3.45Å; R388-D412 IonicContact NH2-OD2 2.74Å; N410-D412 PolarHBondContact O-N 3.1Å; N410-D412 PolarHBondContact OD1-N 2.9Å; N410-D412 VanDerWaalsContact OD1-N 3.17Å |
| 413 | E | 96 | Very high | 95.7 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 13% | 0.131 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -15.4 | -170.7 | -66.9 | 174.8 | -151.2 | 0 | 0 | 113.7 | I58 R66 N410 A415 A416 M417 | I58-E413 HydrophobicContact CD1-CB 4.23Å; I58-E413 HydrophobicContact CD1-CG 4.35Å; I58-E413 HydrophobicContact CG1-CB 4.26Å; I58-E413 HydrophobicContact CG1-CG 3.98Å; I58-E413 WeakPolarHBondContact CG1-OE2 3.43Å; R66-E413 IonicContact CZ-OE1 3.94Å; R66-E413 IonicContact CZ-OE2 2.79Å; R66-E413 IonicContact NE-OE1 2.7Å; R66-E413 PolarHBondContact NE-OE1 3.18Å; R66-E413 IonicContact NE-OE2 3.96Å; R66-E413 PolarHBondContact NE-OE2 2.67Å; R66-E413 IonicContact NH2-OE1 2.78Å; R66-E413 IonicContact NH2-OE2 3.47Å; R66-E413 PolarHBondContact NH2-OE2 2.88Å; N410-E413 HydrophobicContact CB-CB 4.41Å; N410-E413 WeakPolarHBondContact ND2-CG 3.48Å; N410-E413 PolarHBondContact ND2-OE1 2.9Å; N410-E413 VanDerWaalsContact ND2-OE1 3.08Å; N410-E413 PolarHBondContact ND2-OE2 3.42Å; N410-E413 PolarHBondContact O-N 3.16Å; E413-A415 VanDerWaalsContact C-N 3.35Å; E413-A415 PolarHBondContact O-N 2.96Å; E413-A416 PolarHBondContact O-N 3.31Å; E413-M417 HydrophobicContact CB-CG 4.48Å; E413-M417 WeakPolarHBondContact O-CG 3.47Å; E413-M417 PolarHBondContact O-N 3.11Å |
| 414 | A | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.6 | -45.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T209 S212 I409 N410 M417 G418 | T209-A414 HydrophobicContact CG2-CB 3.78Å; S212-A414 WeakPolarHBondContact CB-O 3.41Å; S212-A414 PolarHBondContact OG-O 3.31Å; I409-A414 HydrophobicContact CD1-CB 3.56Å; I409-A414 HydrophobicContact CG1-CB 3.88Å; N410-A414 WeakPolarHBondContact O-CB 3.43Å; N410-A414 PolarHBondContact O-N 2.79Å; A414-M417 PolarHBondContact O-N 3.12Å; A414-G418 PolarHBondContact O-N 2.83Å |
| 415 | A | 98 | Very high | 95.7 | Very high | 9 Ų | 9 | 25 Ų | 25 | 7% | 0.074 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D39 T175 A208 T209 E413 G418 A419 | D39-A415 HydrophobicContact CB-CB 4.34Å; T175-A415 HydrophobicContact CG2-CB 4.28Å; A208-A415 HydrophobicContact CB-CB 4.41Å; A208-A415 WeakPolarHBondContact CB-O 3.45Å; T209-A415 PolarHBondContact OG1-N 2.73Å; E413-A415 VanDerWaalsContact C-N 3.35Å; E413-A415 PolarHBondContact O-N 2.96Å; A415-G418 PolarHBondContact O-N 2.89Å; A415-A419 WeakPolarHBondContact O-CB 3.35Å; A415-A419 PolarHBondContact O-N 3.47Å |
| 416 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S37 D39 K46 A48 I58 E413 G418 A419 V420 | S37-A416 PolarHBondContact OG-O 3.02Å; D39-A416 HydrophobicContact CB-CB 3.91Å; K46-A416 HydrophobicContact CB-CB 4.27Å; A48-A416 HydrophobicContact CB-CB 3.94Å; I58-A416 HydrophobicContact CD1-CB 3.89Å; E413-A416 PolarHBondContact O-N 3.31Å; A416-G418 PolarHBondContact O-N 2.94Å; A416-A419 PolarHBondContact O-N 2.93Å; A416-V420 PolarHBondContact O-N 2.81Å |
| 417 | M | 98 | Very high | 95.4 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 16% | 0.158 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -37.5 | 178.8 | -69.2 | -56 | -62 | 0 | 0 | 112.9 | M56 I58 E413 A414 V420 Y421 | M56-M417 HydrophobicContact CB-CE 3.83Å; I58-M417 HydrophobicContact CD1-CG 3.96Å; I58-M417 HydrophobicContact CD1-SD 3.59Å; I58-M417 VanDerWaalsContact CD1-SD 3.59Å; I58-M417 HydrophobicContact CG1-SD 4.06Å; E413-M417 HydrophobicContact CB-CG 4.48Å; E413-M417 WeakPolarHBondContact O-CG 3.47Å; E413-M417 PolarHBondContact O-N 3.11Å; A414-M417 PolarHBondContact O-N 3.12Å; M417-V420 WeakPolarHBondContact O-CG1 3.41Å; M417-Y421 PolarHBondContact O-N 2.85Å |
| 418 | G | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.8 | -39.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A208 L211 A414 A415 A416 Y421 Q422 | A208-G418 WeakPolarHBondContact O-CA 3.46Å; L211-G418 WeakPolarHBondContact CD2-O 3.45Å; A414-G418 PolarHBondContact O-N 2.83Å; A415-G418 PolarHBondContact O-N 2.89Å; A416-G418 PolarHBondContact O-N 2.94Å; G418-Y421 WeakPolarHBondContact O-CB 3.27Å; G418-Y421 PolarHBondContact O-N 3.01Å; G418-Q422 PolarHBondContact O-N 2.86Å |
| 419 | A | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V173 T175 I203 A208 A415 A416 Q422 A423 | V173-A419 HydrophobicContact CG1-CB 3.96Å; T175-A419 HydrophobicContact CG2-CB 4.13Å; I203-A419 HydrophobicContact CG2-CB 4.05Å; A208-A419 HydrophobicContact CB-CB 4.37Å; A415-A419 WeakPolarHBondContact O-CB 3.35Å; A415-A419 PolarHBondContact O-N 3.47Å; A416-A419 PolarHBondContact O-N 2.93Å; A419-Q422 PolarHBondContact O-N 2.84Å; A419-A423 PolarHBondContact O-N 3.47Å |
| 420 | V | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.9 | -31.7 | 173.8 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | S37 A48 V50 M56 A416 M417 Q422 A423 A424 | S37-V420 PolarHBondContact OG-N 2.95Å; S37-V420 VanDerWaalsContact OG-N 3.16Å; A48-V420 HydrophobicContact CB-CB 3.9Å; A48-V420 HydrophobicContact CB-CG1 3.79Å; V50-V420 HydrophobicContact CB-CG2 4.24Å; V50-V420 HydrophobicContact CG1-CG2 4.03Å; M56-V420 HydrophobicContact CB-CG1 3.93Å; M56-V420 HydrophobicContact CG-CG1 3.98Å; M56-V420 HydrophobicContact SD-CG1 4.38Å; A416-V420 PolarHBondContact O-N 2.81Å; M417-V420 WeakPolarHBondContact O-CG1 3.41Å; V420-Q422 VanDerWaalsContact C-N 3.28Å; V420-Q422 PolarHBondContact O-N 3.33Å; V420-A423 PolarHBondContact O-N 2.91Å; V420-A424 WeakPolarHBondContact O-CB 3.32Å; V420-A424 PolarHBondContact O-N 2.97Å |
| 421 | Y | 97.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 8% | 0.078 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 169.1 | -170.3 | -81.4 | 0 | 0 | 0 | 111.2 | M56 L211 V215 R218 M417 G418 A424 A425 V432 K433 F435 | M56-Y421 HydrophobicContact CE-CD2 3.84Å; M56-Y421 HydrophobicContact CE-CG 4.28Å; M56-Y421 HydrophobicContact SD-CD2 3.81Å; M56-Y421 HydrophobicContact SD-CG 4.37Å; L211-Y421 HydrophobicContact CD1-CD1 4.34Å; L211-Y421 HydrophobicContact CD2-CD1 4.3Å; L211-Y421 HydrophobicContact CG-CD1 4.39Å; V215-Y421 HydrophobicContact CB-CD2 4.38Å; V215-Y421 HydrophobicContact CB-CE2 4.21Å; V215-Y421 HydrophobicContact CG1-CD2 3.67Å; V215-Y421 HydrophobicContact CG1-CE2 3.41Å; V215-Y421 VanDerWaalsContact CG1-CE2 3.41Å; V215-Y421 HydrophobicContact CG1-CG 4.5Å; V215-Y421 HydrophobicContact CG2-CD1 3.85Å; V215-Y421 HydrophobicContact CG2-CD2 3.88Å; V215-Y421 HydrophobicContact CG2-CE1 3.65Å; V215-Y421 HydrophobicContact CG2-CE2 3.65Å; V215-Y421 HydrophobicContact CG2-CG 3.96Å; R218-Y421 PolarHBondContact NH1-OH 3.42Å; R218-Y421 VanDerWaalsContact NH1-OH 3.08Å; R218-Y421 PolarHBondContact NH2-OH 2.95Å; M417-Y421 PolarHBondContact O-N 2.85Å; G418-Y421 WeakPolarHBondContact O-CB 3.27Å; G418-Y421 PolarHBondContact O-N 3.01Å; Y421-A424 PolarHBondContact O-N 3.31Å; Y421-A425 PolarHBondContact O-N 3.35Å; Y421-V432 HydrophobicContact CE1-CB 4.48Å; Y421-V432 HydrophobicContact CE1-CG2 4.13Å; Y421-V432 HydrophobicContact CE2-CB 4.39Å; Y421-K433 PolarHBondContact OH-O 3.49Å; Y421-F435 HydrophobicContact CE1-CB 4.19Å |
| 422 | Q | 97.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 176 | -171 | 63.3 | 5.2 | 0 | 0 | 112.2 | I203 L211 G418 A419 V420 A424 A425 L426 | I203-Q422 HydrophobicContact CD1-CB 4.33Å; I203-Q422 HydrophobicContact CD1-CG 4.29Å; L211-Q422 HydrophobicContact CD2-CB 3.89Å; G418-Q422 PolarHBondContact O-N 2.86Å; A419-Q422 PolarHBondContact O-N 2.84Å; V420-Q422 VanDerWaalsContact C-N 3.28Å; V420-Q422 PolarHBondContact O-N 3.33Å; Q422-A424 VanDerWaalsContact C-N 3.29Å; Q422-A424 PolarHBondContact O-N 2.87Å; Q422-A425 WeakPolarHBondContact O-CB 3.31Å; Q422-A425 PolarHBondContact O-N 2.63Å; Q422-A425 VanDerWaalsContact O-N 3.08Å; Q422-L426 HydrophobicContact CG-CD1 4.11Å; Q422-L426 WeakPolarHBondContact O-CG 3.34Å; Q422-L426 PolarHBondContact O-N 2.71Å |
| 423 | A | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V35 V173 L200 A419 V420 A425 L426 S427 | V35-A423 HydrophobicContact CB-CB 4.31Å; V35-A423 HydrophobicContact CG2-CB 3.72Å; V173-A423 HydrophobicContact CB-CB 4.11Å; V173-A423 HydrophobicContact CG2-CB 3.64Å; L200-A423 HydrophobicContact CD1-CB 4.46Å; A419-A423 PolarHBondContact O-N 3.47Å; V420-A423 PolarHBondContact O-N 2.91Å; A423-A425 VanDerWaalsContact C-N 3.32Å; A423-A425 PolarHBondContact O-N 3.19Å; A423-L426 PolarHBondContact O-N 3.17Å; A423-S427 WeakPolarHBondContact O-CB 3.38Å; A423-S427 PolarHBondContact O-N 3.27Å |
| 424 | A | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -24.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | V50 M56 V420 Y421 Q422 F430 V432 | V50-A424 HydrophobicContact CG1-CB 3.99Å; M56-A424 HydrophobicContact CE-CB 3.52Å; V420-A424 WeakPolarHBondContact O-CB 3.32Å; V420-A424 PolarHBondContact O-N 2.97Å; Y421-A424 PolarHBondContact O-N 3.31Å; Q422-A424 VanDerWaalsContact C-N 3.29Å; Q422-A424 PolarHBondContact O-N 2.87Å; A424-F430 HydrophobicContact CB-CB 4.28Å; A424-F430 HydrophobicContact CB-CD2 4.37Å; A424-F430 HydrophobicContact CB-CG 4.41Å; A424-V432 HydrophobicContact CB-CG1 3.63Å |
| 425 | A | 94.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -78.3 | -31.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y421 Q422 A423 V432 | Y421-A425 PolarHBondContact O-N 3.35Å; Q422-A425 WeakPolarHBondContact O-CB 3.31Å; Q422-A425 PolarHBondContact O-N 2.63Å; Q422-A425 VanDerWaalsContact O-N 3.08Å; A423-A425 VanDerWaalsContact C-N 3.32Å; A423-A425 PolarHBondContact O-N 3.19Å; A425-V432 HydrophobicContact CB-CG2 3.74Å |
| 426 | L | 94.8 | Very high | 94.5 | Very high | 62 Ų | 62 | 48.5 Ų | 48.5 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -88.5 | -25.6 | 178.9 | -65.6 | 171.9 | 0 | 0 | 0 | 113 | V173 L200 Q201 Q422 A423 | V173-L426 HydrophobicContact CG2-CD1 4.33Å; L200-L426 HydrophobicContact CB-CB 4.3Å; L200-L426 HydrophobicContact CB-CD1 3.95Å; L200-L426 HydrophobicContact CD1-CB 4.12Å; Q201-L426 HydrophobicContact CB-CD1 3.74Å; Q422-L426 HydrophobicContact CG-CD1 4.11Å; Q422-L426 WeakPolarHBondContact O-CG 3.34Å; Q422-L426 PolarHBondContact O-N 2.71Å; A423-L426 PolarHBondContact O-N 3.17Å |
| 427 | S | 92 | Very high | 94.4 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | trans | -75.4 | 135.6 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | A423 A429 | A423-S427 WeakPolarHBondContact O-CB 3.38Å; A423-S427 PolarHBondContact O-N 3.27Å; S427-A429 PolarHBondContact O-N 3.14Å; S427-A429 WeakPolarHBondContact OG-CB 3.24Å; S427-A429 PolarHBondContact OG-N 2.92Å | ||
| 428 | K | 87.6 | Confident | 94.3 | Very high | 217 Ų | 217 | 52.2 Ų | 52.2 | 94% | 0.943 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12.2 | 173.8 | -62.9 | -178.7 | -178.9 | 178.7 | 0 | 113.5 | F430 | K428-F430 VanDerWaalsContact C-N 3.34Š|
| 429 | A | 87.6 | Confident | 94.3 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -17.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | L33 S427 | L33-A429 HydrophobicContact CB-CB 4.23Å; L33-A429 HydrophobicContact CD2-CB 3.68Å; S427-A429 PolarHBondContact O-N 3.14Å; S427-A429 WeakPolarHBondContact OG-CB 3.24Å; S427-A429 PolarHBondContact OG-N 2.92Å |
| 430 | F | 90.7 | Very high | 94.3 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 20% | 0.197 | 26% | 0.262 | C | S | . | . | trans | -125.7 | 162.8 | -173.4 | -59.5 | -76.1 | 0 | 0 | 0 | 112.6 | L33 V35 V50 A424 K428 | L33-F430 WeakPolarHBondContact O-CE2 3.4Å; L33-F430 WeakPolarHBondContact O-CZ 3.37Å; V35-F430 HydrophobicContact CG1-CE2 4.36Å; V35-F430 HydrophobicContact CG2-CD2 4.23Å; V35-F430 HydrophobicContact CG2-CE2 3.86Å; V50-F430 HydrophobicContact CB-CZ 4.36Å; V50-F430 HydrophobicContact CG1-CD2 4.15Å; V50-F430 HydrophobicContact CG1-CE1 4.25Å; V50-F430 HydrophobicContact CG1-CE2 3.71Å; V50-F430 HydrophobicContact CG1-CZ 3.77Å; V50-F430 HydrophobicContact CG2-CD1 4.25Å; V50-F430 HydrophobicContact CG2-CE1 3.79Å; V50-F430 HydrophobicContact CG2-CZ 4.06Å; A424-F430 HydrophobicContact CB-CB 4.28Å; A424-F430 HydrophobicContact CB-CD2 4.37Å; A424-F430 HydrophobicContact CB-CG 4.41Å; K428-F430 VanDerWaalsContact C-N 3.34Å | ||
| 431 | K | 90.3 | Very high | 94.3 | Very high | 211 Ų | 211 | 53 Ų | 53 | 92% | 0.917 | 27% | 0.265 | S | S | * | . | trans | -136.2 | 81.3 | 174.5 | -170.2 | 174.3 | -177.1 | 173.9 | 0 | 110.4 | ||||
| 432 | V | 91.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 21% | 0.212 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 165.9 | 173.2 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | M56 Y421 A424 A425 | M56-V432 HydrophobicContact CE-CG1 3.8Å; Y421-V432 HydrophobicContact CE1-CB 4.48Å; Y421-V432 HydrophobicContact CE1-CG2 4.13Å; Y421-V432 HydrophobicContact CE2-CB 4.39Å; A424-V432 HydrophobicContact CB-CG1 3.63Å; A425-V432 HydrophobicContact CB-CG2 3.74Å |
| 433 | K | 91.9 | Very high | 94.2 | Very high | 148 Ų | 148 | 52.3 Ų | 52.3 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 128.6 | 173.4 | -65.9 | 177.8 | -177.7 | 174.8 | 0 | 109 | R218 Y421 F435 | R218-K433 VanDerWaalsContact NH2-C 3.34Å; R218-K433 PolarHBondContact NH2-O 3.1Å; Y421-K433 PolarHBondContact OH-O 3.49Å; K433-F435 PolarHBondContact O-N 2.88Å |
| 434 | P | 91.9 | Very high | 94.2 | Very high | 68 Ų | 68 | 52.7 Ų | 52.7 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 129.7 | -177.1 | -26.9 | 35.1 | 0 | 0 | 0 | 112.8 | R218 A253 Q256 | R218-P434 VanDerWaalsContact NH2-C 3.3Å; R218-P434 PolarHBondContact NH2-O 2.85Å; A253-P434 HydrophobicContact CB-CG 4.35Å; Q256-P434 HydrophobicContact CG-CB 4.24Å; Q256-P434 PolarHBondContact OE1-O 3.19Å; Q256-P434 VanDerWaalsContact OE1-O 3.11Å |
| 435 | F | 95.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 10% | 0.101 | 27% | 0.265 | C | S | . | . | trans | -131.8 | 125.1 | 173.1 | -158.3 | -71.1 | 0 | 0 | 0 | 107 | L211 G214 V215 I221 Y245 P257 L259 Y421 K433 V437 | L211-F435 HydrophobicContact CD1-CB 4.21Å; L211-F435 HydrophobicContact CD1-CD1 3.64Å; L211-F435 HydrophobicContact CD1-CE1 4.2Å; L211-F435 HydrophobicContact CD1-CG 3.91Å; G214-F435 VanDerWaalsContact C-CE2 3.46Å; G214-F435 WeakPolarHBondContact O-CE2 3.34Å; V215-F435 HydrophobicContact CG2-CD2 3.98Å; V215-F435 HydrophobicContact CG2-CE2 4.48Å; V215-F435 HydrophobicContact CG2-CG 4.38Å; I221-F435 HydrophobicContact CD1-CE2 3.88Å; I221-F435 HydrophobicContact CD1-CZ 3.72Å; Y245-F435 HydrophobicContact CD1-CZ 4.3Å; Y245-F435 HydrophobicContact CE1-CZ 4.47Å; P257-F435 HydrophobicContact CB-CD2 4.03Å; P257-F435 HydrophobicContact CB-CE2 3.65Å; P257-F435 HydrophobicContact CB-CZ 3.99Å; P257-F435 HydrophobicContact CG-CD2 3.54Å; P257-F435 HydrophobicContact CG-CE2 3.67Å; P257-F435 HydrophobicContact CG-CG 4.17Å; P257-F435 HydrophobicContact CG-CZ 4.41Å; L259-F435 HydrophobicContact CB-CE1 3.94Å; L259-F435 HydrophobicContact CD2-CD1 4.41Å; L259-F435 HydrophobicContact CD2-CE1 3.85Å; L259-F435 HydrophobicContact CG-CE1 4.08Å; Y421-F435 HydrophobicContact CE1-CB 4.19Å; K433-F435 PolarHBondContact O-N 2.88Å; F435-V437 PolarHBondContact O-N 2.96Å | ||
| 436 | V | 95.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 19% | 0.188 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 112.9 | -173.6 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | V248 T250 Q256 P257 Q258 L259 R438 | V248-V436 HydrophobicContact CG2-CG2 4.33Å; T250-V436 HydrophobicContact CG2-CG2 3.76Å; Q256-V436 HydrophobicContact CB-CG2 4.27Å; P257-V436 PolarHBondContact O-N 3.48Å; Q258-V436 CarbonylContact C-O 3.59Å; Q258-V436 VanDerWaalsContact CA-O 3.25Å; Q258-V436 WeakPolarHBondContact CA-O 3.47Å; Q258-V436 HydrophobicContact CB-CB 3.97Å; Q258-V436 HydrophobicContact CB-CG1 4.44Å; Q258-V436 HydrophobicContact CG-CB 4.23Å; Q258-V436 HydrophobicContact CG-CG1 4.22Å; L259-V436 PolarHBondContact N-O 2.88Å; V436-R438 HydrophobicContact CG1-CG 4.4Å |
| 437 | V | 96.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.3 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | T207 L211 L259 F435 | T207-V437 HydrophobicContact CG2-CG1 3.82Å; L211-V437 HydrophobicContact CD1-CG2 3.92Å; L211-V437 HydrophobicContact CD2-CG2 4.07Å; L259-V437 HydrophobicContact CD1-CG1 4.29Å; L259-V437 HydrophobicContact CD2-CG2 4.43Å; F435-V437 PolarHBondContact O-N 2.96Å |
| 438 | R | 96.9 | Very high | 94.8 | Very high | 87 Ų | 87 | 48.6 Ų | 48.6 | 33% | 0.328 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 96.9 | 170.2 | -70.2 | -61.5 | 178.2 | -175.3 | -3.9 | 110.2 | L259 Q260 I261 V436 P475 Y476 P477 | L259-R438 PolarHBondContact O-N 2.83Å; Q260-R438 WeakPolarHBondContact CA-O 3.32Å; Q260-R438 HydrophobicContact CB-CB 4.11Å; Q260-R438 HydrophobicContact CG-CB 4.04Å; I261-R438 PolarHBondContact N-O 2.96Å; V436-R438 HydrophobicContact CG1-CG 4.4Å; R438-P475 HydrophobicContact CB-CB 4.24Å; R438-Y476 PolarHBondContact NH1-O 3.31Å; R438-P477 PolarHBondContact NH1-O 2.98Å |
| 439 | D | 97.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 163.6 | 176.1 | -150.6 | -38.9 | 0 | 0 | 0 | 111 | N204 T207 I261 P475 Y476 | N204-D439 PolarHBondContact ND2-OD1 2.81Å; N204-D439 PolarHBondContact ND2-OD2 2.89Å; T207-D439 WeakPolarHBondContact CB-OD2 3.41Å; T207-D439 HydrophobicContact CG2-CB 4.4Å; T207-D439 VanDerWaalsContact CG2-OD2 3.31Å; T207-D439 WeakPolarHBondContact CG2-OD2 3.36Å; T207-D439 VanDerWaalsContact OG1-CG 3.25Å; T207-D439 PolarHBondContact OG1-OD2 3.41Å; I261-D439 HydrophobicContact CG1-CB 4.5Å; D439-P475 CarbonylContact O-C 3.51Å; D439-P475 VanDerWaalsContact O-CA 3.24Å; D439-P475 WeakPolarHBondContact O-CA 3.46Å; D439-Y476 HydrophobicContact CB-CD1 4.16Å; D439-Y476 HydrophobicContact CB-CE1 3.66Å; D439-Y476 HydrophobicContact CB-CE2 4.04Å; D439-Y476 WeakPolarHBondContact O-CD1 3.23Å; D439-Y476 PolarHBondContact O-N 3.04Å |
| 440 | A | 97.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I261 V442 M473 | I261-A440 HydrophobicContact CB-CB 3.8Å; I261-A440 HydrophobicContact CG2-CB 3.71Å; A440-V442 PolarHBondContact O-N 2.83Å; A440-M473 HydrophobicContact CB-CE 4.07Å; A440-M473 HydrophobicContact CB-SD 3.87Å |
| 441 | V | 98.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | trans | -71.8 | 98.6 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | Y443 F470 S471 R472 M473 G474 Y476 L545 | V441-Y443 WeakPolarHBondContact CG1-O 3.42Å; V441-F470 HydrophobicContact CG1-CB 4.13Å; V441-F470 HydrophobicContact CG2-CB 4.33Å; V441-S471 WeakPolarHBondContact CB-O 3.4Å; V441-R472 CarbonylContact O-C 3.56Å; V441-R472 WeakPolarHBondContact O-CA 3.06Å; V441-M473 PolarHBondContact O-N 2.7Å; V441-G474 WeakPolarHBondContact CG2-O 3.26Å; V441-G474 PolarHBondContact N-O 2.78Å; V441-Y476 HydrophobicContact CG2-CD1 3.82Å; V441-Y476 HydrophobicContact CG2-CG 4.43Å; V441-L545 HydrophobicContact CG2-CD2 3.41Å; V441-L545 VanDerWaalsContact CG2-CD2 3.41Å | ||
| 442 | V | 96.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -63.3 | -48.8 | 177.4 | -178 | 0 | 0 | 0 | 0 | 111.5 | V178 V264 F266 A440 M473 F502 | V178-V442 HydrophobicContact CG2-CG2 3.82Å; V264-V442 HydrophobicContact CB-CG2 4.44Å; V264-V442 HydrophobicContact CG1-CG2 4.21Å; V264-V442 HydrophobicContact CG2-CG2 4.46Å; F266-V442 HydrophobicContact CE1-CG1 4.12Å; A440-V442 PolarHBondContact O-N 2.83Å; V442-M473 HydrophobicContact CB-CE 4.38Å; V442-M473 HydrophobicContact CG2-CE 4.16Å; V442-F502 HydrophobicContact CG1-CE2 4.42Å; V442-F502 HydrophobicContact CG1-CZ 4.29Å; V442-F502 WeakPolarHBondContact O-CZ 3.2Å |
| 443 | Y | 97.7 | Very high | 93.8 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -104.4 | 111.2 | -177.5 | -54 | -61.2 | 0 | 0 | 0 | 109.2 | F179 N181 F266 V441 L500 F502 L503 F511 | F179-Y443 WeakPolarHBondContact CA-OH 3.47Å; F179-Y443 WeakPolarHBondContact O-CE2 3.37Å; F179-Y443 PolarHBondContact O-OH 2.9Å; N181-Y443 HydrophobicContact CB-CD2 4.41Å; N181-Y443 HydrophobicContact CB-CE2 4.35Å; F266-Y443 WeakPolarHBondContact CZ-OH 3.25Å; V441-Y443 WeakPolarHBondContact CG1-O 3.42Å; Y443-L500 HydrophobicContact CD1-CD2 3.76Å; Y443-L500 HydrophobicContact CG-CD2 4.48Å; Y443-F502 AromaticContact CD1-CZ 3.83Å; Y443-F502 HydrophobicContact CD1-CZ 3.83Å; Y443-F502 HydrophobicContact CE1-CE2 4.39Å; Y443-F502 AromaticContact CE1-CZ 3.95Å; Y443-F502 HydrophobicContact CE1-CZ 3.95Å; Y443-L503 HydrophobicContact CE1-CD1 4.07Å; Y443-L503 HydrophobicContact CE1-CD2 4.3Å; Y443-F511 HydrophobicContact CD1-CD2 4.3Å; Y443-F511 AromaticContact CD1-CE2 3.55Å; Y443-F511 HydrophobicContact CD1-CE2 3.55Å; Y443-F511 HydrophobicContact CD1-CZ 4.23Å; Y443-F511 AromaticContact CD2-CE2 3.84Å; Y443-F511 HydrophobicContact CD2-CE2 3.84Å; Y443-F511 AromaticContact CE1-CD2 3.96Å; Y443-F511 HydrophobicContact CE1-CD2 3.96Å; Y443-F511 AromaticContact CE1-CE2 3.62Å; Y443-F511 HydrophobicContact CE1-CE2 3.62Å; Y443-F511 HydrophobicContact CE2-CD2 4.5Å; Y443-F511 AromaticContact CE2-CE2 3.89Å; Y443-F511 HydrophobicContact CE2-CE2 3.89Å; Y443-F511 AromaticContact CG-CE2 3.67Å; Y443-F511 HydrophobicContact CG-CE2 3.67Å; Y443-F511 HydrophobicContact CG-CZ 4.18Å; Y443-F511 AromaticContact CZ-CE2 3.79Å |
| 444 | P | 97.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | trans | -61.8 | 152.9 | 177.4 | 25.1 | -32.5 | 0 | 0 | 0 | 110.9 | F470 R472 Y497 G498 D499 | P444-F470 CarbonylContact C-O 3.57Å; P444-F470 WeakPolarHBondContact CA-O 3.32Å; P444-F470 WeakPolarHBondContact CB-O 3.47Å; P444-R472 HydrophobicContact CB-CB 4.46Å; P444-R472 HydrophobicContact CG-CB 4.34Å; P444-Y497 CarbonylContact O-C 3.56Å; P444-Y497 VanDerWaalsContact O-CA 3.28Å; P444-Y497 WeakPolarHBondContact O-CA 3.32Å; P444-G498 PolarHBondContact O-N 3.35Å; P444-D499 WeakPolarHBondContact CG-O 3.36Å | ||
| 445 | I | 98.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.2 | 179.1 | -59.2 | 178 | 0 | 0 | 0 | 108.5 | L469 F470 I495 Y497 L516 L545 L551 | I445-L469 HydrophobicContact CG2-CD1 4.27Å; I445-L469 WeakPolarHBondContact O-CA 3.42Å; I445-L469 WeakPolarHBondContact O-CB 3.43Å; I445-L469 PolarHBondContact O-N 3.04Å; I445-F470 HydrophobicContact CB-CB 4.45Å; I445-F470 HydrophobicContact CB-CD2 4.19Å; I445-F470 HydrophobicContact CD1-CD2 4.45Å; I445-F470 PolarHBondContact N-O 3.37Å; I445-F470 PolarHBondContact O-N 3.23Å; I445-I495 HydrophobicContact CG2-CG2 3.79Å; I445-Y497 HydrophobicContact CG1-CD1 4.27Å; I445-L516 HydrophobicContact CD1-CD1 4.31Å; I445-L516 HydrophobicContact CG1-CD1 4.36Å; I445-L516 HydrophobicContact CG2-CD1 4.13Å; I445-L545 HydrophobicContact CD1-CD1 4.39Å; I445-L551 HydrophobicContact CD1-CB 4.45Å; I445-L551 HydrophobicContact CD1-CD2 4.35Å; I445-L551 HydrophobicContact CG2-CD2 4.11Å |
| 446 | L | 97.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 166.9 | 179.8 | 60.9 | 67.8 | 0 | 0 | 0 | 112.6 | E448 K466 R467 V468 I495 N496 | L446-E448 HydrophobicContact CD1-CG 3.4Å; L446-E448 WeakPolarHBondContact CD1-OE1 3.48Å; L446-K466 HydrophobicContact CD2-CD 4.4Å; L446-R467 CarbonylContact C-O 3.51Å; L446-R467 VanDerWaalsContact CA-O 3.29Å; L446-R467 WeakPolarHBondContact CA-O 3.37Å; L446-R467 WeakPolarHBondContact CB-O 3.49Å; L446-V468 HydrophobicContact CB-CG2 4.49Å; L446-I495 WeakPolarHBondContact O-CA 3.1Å; L446-N496 HydrophobicContact CD1-CB 3.9Å; L446-N496 PolarHBondContact N-O 2.92Å; L446-N496 PolarHBondContact O-N 3.3Å |
| 447 | V | 97.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.3 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 109.9 | F449 K466 R467 L469 F484 F493 H494 I495 F543 | V447-F449 HydrophobicContact CG1-CD1 4.09Å; V447-K466 CarbonylContact O-C 3.59Å; V447-K466 WeakPolarHBondContact O-CA 3.45Å; V447-R467 PolarHBondContact N-O 3.31Å; V447-R467 PolarHBondContact O-N 2.89Å; V447-L469 HydrophobicContact CG2-CD1 3.61Å; V447-L469 HydrophobicContact CG2-CD2 4.24Å; V447-L469 HydrophobicContact CG2-CG 3.82Å; V447-F484 HydrophobicContact CG1-CE1 4.16Å; V447-F484 HydrophobicContact CG1-CZ 3.97Å; V447-F493 HydrophobicContact CG1-CB 4.41Å; V447-F493 HydrophobicContact CG1-CD2 3.7Å; V447-F493 HydrophobicContact CG1-CE2 4.28Å; V447-F493 HydrophobicContact CG1-CG 4.29Å; V447-F493 HydrophobicContact CG2-CE2 4.48Å; V447-H494 CarbonylContact C-O 3.57Å; V447-H494 VanDerWaalsContact CA-O 3.23Å; V447-H494 WeakPolarHBondContact CA-O 3.38Å; V447-I495 HydrophobicContact CG2-CG1 4.45Å; V447-F543 HydrophobicContact CG2-CE1 4.2Å; V447-F543 HydrophobicContact CG2-CE2 4.23Å; V447-F543 HydrophobicContact CG2-CZ 3.73Å |
| 448 | E | 95.6 | Very high | 89.4 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.1 | 179.5 | -50.9 | -167.8 | -178.8 | 0 | 0 | 111.9 | L446 H464 N465 K466 H494 N496 | L446-E448 HydrophobicContact CD1-CG 3.4Å; L446-E448 WeakPolarHBondContact CD1-OE1 3.48Å; E448-H464 IonicContact OE2-CE1 2.67Å; E448-H464 PolarHBondContact OE2-CE1 2.89Å; E448-H464 IonicContact OE2-NE2 2.73Å; E448-H464 PolarHBondContact OE2-NE2 3.5Å; E448-N465 WeakPolarHBondContact CA-O 3.49Å; E448-K466 VanDerWaalsContact CD-CE 3.42Å; E448-K466 VanDerWaalsContact CD-NZ 3.29Å; E448-K466 HydrophobicContact CG-CB 4.49Å; E448-K466 HydrophobicContact CG-CD 4.13Å; E448-K466 HydrophobicContact CG-CG 3.96Å; E448-K466 WeakPolarHBondContact OE1-CD 3.19Å; E448-K466 WeakPolarHBondContact OE1-CE 3.21Å; E448-K466 IonicContact OE1-NZ 2.9Å; E448-K466 PolarHBondContact OE1-NZ 3.03Å; E448-K466 IonicContact OE2-NZ 2.75Å; E448-K466 PolarHBondContact OE2-NZ 3.19Å; E448-H494 HydrophobicContact CB-CB 4.34Å; E448-H494 PolarHBondContact N-O 3.2Å; E448-H494 PolarHBondContact O-N 2.85Å; E448-N496 PolarHBondContact OE1-ND2 3.31Å; E448-N496 VanDerWaalsContact OE1-ND2 3.14Å; E448-N496 PolarHBondContact OE2-ND2 3.04Å |
| 449 | F | 93.9 | Very high | 88.4 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 4% | 0.044 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 140.3 | -176.2 | 59.6 | -78.8 | 0 | 0 | 0 | 112.7 | V447 N465 R467 F484 Y487 F493 | V447-F449 HydrophobicContact CG1-CD1 4.09Å; F449-N465 HydrophobicContact CD1-CB 4.31Å; F449-N465 HydrophobicContact CD2-CB 4.22Å; F449-N465 HydrophobicContact CE1-CB 3.93Å; F449-N465 HydrophobicContact CE2-CB 3.84Å; F449-N465 HydrophobicContact CG-CB 4.45Å; F449-N465 HydrophobicContact CZ-CB 3.69Å; F449-N465 PolarHBondContact N-O 3.27Å; F449-N465 PolarHBondContact O-N 2.77Å; F449-N465 PolarHBondContact O-ND2 2.95Å; F449-R467 HydrophobicContact CE1-CG 4.02Å; F449-R467 HydrophobicContact CZ-CG 4.4Å; F449-F484 HydrophobicContact CB-CD1 4.46Å; F449-F484 HydrophobicContact CB-CE1 4.05Å; F449-F484 HydrophobicContact CD1-CD1 4.31Å; F449-F484 AromaticContact CD1-CE1 3.77Å; F449-F484 HydrophobicContact CD1-CE1 3.77Å; F449-F484 AromaticContact CD2-CD1 3.93Å; F449-F484 HydrophobicContact CD2-CD1 3.93Å; F449-F484 HydrophobicContact CD2-CE1 4.16Å; F449-F484 HydrophobicContact CE1-CE1 4.23Å; F449-F484 HydrophobicContact CE2-CD1 4.19Å; F449-F484 AromaticContact CG-CD1 3.98Å; F449-F484 HydrophobicContact CG-CD1 3.98Å; F449-F484 AromaticContact CG-CE1 3.73Å; F449-F484 HydrophobicContact CG-CE1 3.73Å; F449-F484 HydrophobicContact CZ-CD1 4.5Å; F449-Y487 WeakPolarHBondContact CD2-OH 3.34Å; F449-F493 HydrophobicContact CB-CB 4Å |
| 450 | T | 89.4 | Confident | 87.5 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.6 | 175.9 | 43.2 | 0 | 0 | 0 | 0 | 110.7 | H464 Y487 | T450-H464 HydrophobicContact CG2-CB 4.43Å; T450-Y487 VanDerWaalsContact C-OH 3.26Å; T450-Y487 PolarHBondContact O-OH 3.39Å |
| 451 | R | 83.8 | Confident | 86.8 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.3 | 177.1 | -170 | -171.6 | 60.9 | 81.7 | -8.8 | 109.8 | K463 Y487 | R451-K463 PolarHBondContact N-O 3.28Å; R451-K463 PolarHBondContact O-N 3.35Å; R451-Y487 VanDerWaalsContact CA-OH 3.29Å; R451-Y487 WeakPolarHBondContact CA-OH 3.49Å; R451-Y487 VanDerWaalsContact CB-OH 3.32Å; R451-Y487 WeakPolarHBondContact CB-OH 3.34Å; R451-Y487 HydrophobicContact CG-CE2 4.4Å |
| 452 | E | 80.8 | Confident | 86.1 | Confident | 137 Ų | 137 | 61.9 Ų | 61.9 | 64% | 0.64 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 135.5 | 169.3 | -69.9 | 175.1 | 176.5 | 0 | 0 | 111 | S461 L462 | E452-S461 CarbonylContact C-O 3.57Å; E452-S461 WeakPolarHBondContact CA-O 3.1Å; E452-L462 HydrophobicContact CG-CD2 3.61Å |
| 453 | V | 79.3 | Confident | 85.6 | Confident | 27 Ų | 27 | 67 Ų | 67 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 123.5 | 176.6 | -158.4 | 0 | 0 | 0 | 0 | 107.4 | H460 S461 K463 | V453-H460 CarbonylContact O-C 3.6Å; V453-H460 VanDerWaalsContact O-CA 3.31Å; V453-H460 WeakPolarHBondContact O-CA 3.47Å; V453-S461 PolarHBondContact N-O 3.32Å; V453-S461 PolarHBondContact O-N 2.71Å; V453-K463 HydrophobicContact CG2-CB 3.43Å; V453-K463 VanDerWaalsContact CG2-CB 3.43Å; V453-K463 HydrophobicContact CG2-CD 4.4Å |
| 454 | E | 77.9 | Confident | 85.2 | Confident | 114 Ų | 114 | 70.7 Ų | 70.7 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 121.7 | 162.6 | -168.7 | 168.2 | -156.9 | 0 | 0 | 107.9 | E456 P457 G458 I459 H460 | E454-E456 VanDerWaalsContact CG-O 3.23Å; E454-E456 WeakPolarHBondContact CG-O 3.2Å; E454-P457 WeakPolarHBondContact OE1-CA 3.02Å; E454-G458 PolarHBondContact OE1-N 3.44Å; E454-I459 WeakPolarHBondContact CA-O 3.42Å; E454-H460 IonicContact OE1-CE1 2.62Å |
| 455 | E | 76.1 | Confident | 84.9 | Confident | 135 Ų | 135 | 71.9 Ų | 71.9 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -41.2 | -179.3 | -66 | -175.3 | 175.5 | 0 | 0 | 110.8 | I459 S461 | E455-I459 PolarHBondContact N-O 3.15Å; E455-S461 VanDerWaalsContact CD-OG 3.3Å; E455-S461 VanDerWaalsContact OE1-CB 3.25Å; E455-S461 WeakPolarHBondContact OE1-CB 3.48Å; E455-S461 PolarHBondContact OE1-OG 3.23Å |
| 456 | E | 76.2 | Confident | 84.8 | Confident | 128 Ų | 128 | 77.7 Ų | 77.7 | 60% | 0.598 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 161.7 | 167.2 | -63.8 | -170.6 | 165.7 | 0 | 0 | 108.6 | E454 G458 I459 | E454-E456 VanDerWaalsContact CG-O 3.23Å; E454-E456 WeakPolarHBondContact CG-O 3.2Å; E456-G458 PolarHBondContact O-N 2.88Å; E456-I459 HydrophobicContact CB-CB 4.29Å; E456-I459 HydrophobicContact CB-CD1 4.17Å; E456-I459 HydrophobicContact CB-CG1 4.33Å; E456-I459 PolarHBondContact O-N 3.07Å |
| 457 | P | 73.9 | Confident | 84.7 | Confident | 127 Ų | 127 | 82 Ų | 82 | 83% | 0.825 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 113.2 | -176.8 | -28.3 | 36.8 | 0 | 0 | 0 | 113.4 | E454 I459 | E454-P457 WeakPolarHBondContact OE1-CA 3.02Å; P457-I459 VanDerWaalsContact C-N 3.35Å |
| 458 | G | 74.8 | Confident | 84.6 | Confident | 57 Ų | 57 | 86.1 Ų | 86.1 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 3.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | E454 E456 | E454-G458 PolarHBondContact OE1-N 3.44Å; E456-G458 PolarHBondContact O-N 2.88Å |
| 459 | I | 75.9 | Confident | 84.6 | Confident | 91 Ų | 91 | 85 Ų | 85 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 106.8 | 171.7 | -57.8 | -172.6 | 0 | 0 | 0 | 109 | E454 E455 E456 P457 | E454-I459 WeakPolarHBondContact CA-O 3.42Å; E455-I459 PolarHBondContact N-O 3.15Å; E456-I459 HydrophobicContact CB-CB 4.29Å; E456-I459 HydrophobicContact CB-CD1 4.17Å; E456-I459 HydrophobicContact CB-CG1 4.33Å; E456-I459 PolarHBondContact O-N 3.07Å; P457-I459 VanDerWaalsContact C-N 3.35Å |
| 460 | H | 78.1 | Confident | 84.8 | Confident | 118 Ų | 118 | 84.5 Ų | 84.5 | 55% | 0.546 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.7 | -179.3 | -54.9 | -63 | 0 | 0 | 0 | 112.1 | V453 E454 | V453-H460 CarbonylContact O-C 3.6Å; V453-H460 VanDerWaalsContact O-CA 3.31Å; V453-H460 WeakPolarHBondContact O-CA 3.47Å; E454-H460 IonicContact OE1-CE1 2.62Å |
| 461 | S | 83.6 | Confident | 85.2 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 23% | 0.231 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 153.2 | 174.2 | 83.7 | 0 | 0 | 0 | 0 | 111.8 | E452 V453 E455 | E452-S461 CarbonylContact C-O 3.57Å; E452-S461 WeakPolarHBondContact CA-O 3.1Å; V453-S461 PolarHBondContact N-O 3.32Å; V453-S461 PolarHBondContact O-N 2.71Å; E455-S461 VanDerWaalsContact CD-OG 3.3Å; E455-S461 VanDerWaalsContact OE1-CB 3.25Å; E455-S461 WeakPolarHBondContact OE1-CB 3.48Å; E455-S461 PolarHBondContact OE1-OG 3.23Å |
| 462 | L | 83.6 | Confident | 85.8 | Confident | 121 Ų | 121 | 85.2 Ų | 85.2 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 94.4 | 175.8 | -76 | 171.5 | 0 | 0 | 0 | 110.8 | E452 H464 | E452-L462 HydrophobicContact CG-CD2 3.61Å; L462-H464 PolarHBondContact O-N 3.32Å |
| 463 | K | 86.3 | Confident | 86.6 | Confident | 117 Ų | 117 | 80 Ų | 80 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 114.8 | 173.6 | -178.2 | 163 | -176.3 | 158.8 | 0 | 110.4 | R451 V453 N465 | R451-K463 PolarHBondContact N-O 3.28Å; R451-K463 PolarHBondContact O-N 3.35Å; V453-K463 HydrophobicContact CG2-CB 3.43Å; V453-K463 VanDerWaalsContact CG2-CB 3.43Å; V453-K463 HydrophobicContact CG2-CD 4.4Å; K463-N465 PolarHBondContact O-ND2 2.92Å |
| 464 | H | 89.8 | Confident | 87.4 | Confident | 93 Ų | 93 | 79 Ų | 79 | 43% | 0.431 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.9 | 165.9 | -178.8 | 99.6 | 0 | 0 | 0 | 110.3 | E448 T450 L462 K466 | E448-H464 IonicContact OE2-CE1 2.67Å; E448-H464 PolarHBondContact OE2-CE1 2.89Å; E448-H464 IonicContact OE2-NE2 2.73Å; E448-H464 PolarHBondContact OE2-NE2 3.5Å; T450-H464 HydrophobicContact CG2-CB 4.43Å; L462-H464 PolarHBondContact O-N 3.32Å; H464-K466 WeakPolarHBondContact NE2-CE 3.45Å; H464-K466 WeakPolarHBondContact NE2-CG 3.45Å |
| 465 | N | 91.8 | Very high | 88.3 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 18% | 0.176 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.4 | -178.9 | -48.2 | -94.3 | 0 | 0 | 0 | 109.4 | E448 F449 K463 | E448-N465 WeakPolarHBondContact CA-O 3.49Å; F449-N465 HydrophobicContact CD1-CB 4.31Å; F449-N465 HydrophobicContact CD2-CB 4.22Å; F449-N465 HydrophobicContact CE1-CB 3.93Å; F449-N465 HydrophobicContact CE2-CB 3.84Å; F449-N465 HydrophobicContact CG-CB 4.45Å; F449-N465 HydrophobicContact CZ-CB 3.69Å; F449-N465 PolarHBondContact N-O 3.27Å; F449-N465 PolarHBondContact O-N 2.77Å; F449-N465 PolarHBondContact O-ND2 2.95Å; K463-N465 PolarHBondContact O-ND2 2.92Å |
| 466 | K | 94.8 | Very high | 89.3 | Confident | 125 Ų | 125 | 69.8 Ų | 69.8 | 54% | 0.543 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.8 | 169.7 | -52.6 | -160.9 | 177.4 | -151.8 | 0 | 109.6 | L446 V447 E448 H464 | L446-K466 HydrophobicContact CD2-CD 4.4Å; V447-K466 CarbonylContact O-C 3.59Å; V447-K466 WeakPolarHBondContact O-CA 3.45Å; E448-K466 VanDerWaalsContact CD-CE 3.42Å; E448-K466 VanDerWaalsContact CD-NZ 3.29Å; E448-K466 HydrophobicContact CG-CB 4.49Å; E448-K466 HydrophobicContact CG-CD 4.13Å; E448-K466 HydrophobicContact CG-CG 3.96Å; E448-K466 WeakPolarHBondContact OE1-CD 3.19Å; E448-K466 WeakPolarHBondContact OE1-CE 3.21Å; E448-K466 IonicContact OE1-NZ 2.9Å; E448-K466 PolarHBondContact OE1-NZ 3.03Å; E448-K466 IonicContact OE2-NZ 2.75Å; E448-K466 PolarHBondContact OE2-NZ 3.19Å; H464-K466 WeakPolarHBondContact NE2-CE 3.45Å; H464-K466 WeakPolarHBondContact NE2-CG 3.45Å |
| 467 | R | 95.2 | Very high | 90.2 | Very high | 108 Ų | 108 | 65.6 Ų | 65.6 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 119 | 174.8 | -74.5 | -176 | 174.8 | 166.3 | -5.3 | 110.3 | L446 V447 F449 L469 I482 T483 | L446-R467 CarbonylContact C-O 3.51Å; L446-R467 VanDerWaalsContact CA-O 3.29Å; L446-R467 WeakPolarHBondContact CA-O 3.37Å; L446-R467 WeakPolarHBondContact CB-O 3.49Å; V447-R467 PolarHBondContact N-O 3.31Å; V447-R467 PolarHBondContact O-N 2.89Å; F449-R467 HydrophobicContact CE1-CG 4.02Å; F449-R467 HydrophobicContact CZ-CG 4.4Å; R467-L469 PolarHBondContact O-N 3.05Å; R467-I482 HydrophobicContact CB-CD1 4.36Å; R467-T483 PolarHBondContact NH1-O 3.16Å |
| 468 | V | 95.9 | Very high | 91.3 | Very high | 85 Ų | 85 | 61.6 Ų | 61.6 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 122.3 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | L446 | L446-V468 HydrophobicContact CB-CG2 4.49Å |
| 469 | L | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -70.2 | 164.6 | -71.3 | 178.1 | 0 | 0 | 0 | 108 | I445 V447 R467 K480 I482 F543 | I445-L469 HydrophobicContact CG2-CD1 4.27Å; I445-L469 WeakPolarHBondContact O-CA 3.42Å; I445-L469 WeakPolarHBondContact O-CB 3.43Å; I445-L469 PolarHBondContact O-N 3.04Å; V447-L469 HydrophobicContact CG2-CD1 3.61Å; V447-L469 HydrophobicContact CG2-CD2 4.24Å; V447-L469 HydrophobicContact CG2-CG 3.82Å; R467-L469 PolarHBondContact O-N 3.05Å; L469-K480 HydrophobicContact CD2-CB 4.48Å; L469-K480 WeakPolarHBondContact O-CD 3.25Å; L469-K480 WeakPolarHBondContact O-CE 3.18Å; L469-K480 PolarHBondContact O-NZ 3.43Å; L469-I482 HydrophobicContact CD2-CD1 3.9Å; L469-I482 HydrophobicContact CD2-CG1 3.51Å; L469-F543 HydrophobicContact CD1-CB 4.14Å; L469-F543 HydrophobicContact CD1-CD1 3.67Å; L469-F543 HydrophobicContact CD1-CD2 3.94Å; L469-F543 HydrophobicContact CD1-CE1 3.98Å; L469-F543 HydrophobicContact CD1-CE2 4.23Å; L469-F543 HydrophobicContact CD1-CG 3.63Å; L469-F543 HydrophobicContact CD1-CZ 4.25Å; L469-F543 HydrophobicContact CD2-CB 4.43Å; L469-F543 HydrophobicContact CD2-CD2 3.54Å; L469-F543 HydrophobicContact CD2-CE2 3.91Å; L469-F543 HydrophobicContact CD2-CG 4.01Å; L469-F543 HydrophobicContact CG-CD2 4.42Å |
| 470 | F | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.2 | -173.1 | -54.4 | -69 | 0 | 0 | 0 | 108.5 | V441 P444 I445 Q478 K480 F543 L545 L551 | V441-F470 HydrophobicContact CG1-CB 4.13Å; V441-F470 HydrophobicContact CG2-CB 4.33Å; P444-F470 CarbonylContact C-O 3.57Å; P444-F470 WeakPolarHBondContact CA-O 3.32Å; P444-F470 WeakPolarHBondContact CB-O 3.47Å; I445-F470 HydrophobicContact CB-CB 4.45Å; I445-F470 HydrophobicContact CB-CD2 4.19Å; I445-F470 HydrophobicContact CD1-CD2 4.45Å; I445-F470 PolarHBondContact N-O 3.37Å; I445-F470 PolarHBondContact O-N 3.23Å; F470-Q478 HydrophobicContact CD1-CB 4.01Å; F470-Q478 HydrophobicContact CE1-CB 3.6Å; F470-K480 HydrophobicContact CD1-CD 4.3Å; F470-K480 HydrophobicContact CE1-CB 4.4Å; F470-K480 HydrophobicContact CE1-CD 4.02Å; F470-K480 HydrophobicContact CE1-CG 4.09Å; F470-K480 HydrophobicContact CZ-CB 4.43Å; F470-F543 HydrophobicContact CE2-CB 4.36Å; F470-F543 HydrophobicContact CZ-CB 4.3Å; F470-L545 HydrophobicContact CB-CD2 4.33Å; F470-L545 HydrophobicContact CD1-CB 4.2Å; F470-L545 HydrophobicContact CD1-CD2 4.27Å; F470-L545 HydrophobicContact CD2-CB 4.22Å; F470-L545 HydrophobicContact CD2-CD2 4.37Å; F470-L545 HydrophobicContact CE1-CB 3.93Å; F470-L545 HydrophobicContact CE2-CB 3.95Å; F470-L545 HydrophobicContact CG-CB 4.36Å; F470-L545 HydrophobicContact CG-CD2 4.04Å; F470-L545 HydrophobicContact CZ-CB 3.8Å; F470-L551 HydrophobicContact CD2-CD1 4.24Å; F470-L551 HydrophobicContact CE2-CD1 3.59Å |
| 471 | S | 96.8 | Very high | 94.2 | Very high | 55 Ų | 55 | 64.3 Ų | 64.3 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | trans | -82.7 | 153.1 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | V441 M473 G474 | V441-S471 WeakPolarHBondContact CB-O 3.4Å; S471-M473 PolarHBondContact O-N 3.01Å; S471-G474 PolarHBondContact O-N 3.21Å | ||
| 472 | R | 96.8 | Very high | 94.8 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 137.6 | 172.5 | -171.5 | 171.5 | -179.5 | -132.8 | -2.6 | 109.8 | V441 P444 G474 F502 | V441-R472 CarbonylContact O-C 3.56Å; V441-R472 WeakPolarHBondContact O-CA 3.06Å; P444-R472 HydrophobicContact CB-CB 4.46Å; P444-R472 HydrophobicContact CG-CB 4.34Å; R472-G474 PolarHBondContact O-N 2.67Å; R472-F502 VanDerWaalsContact NH2-CG 3.3Å |
| 473 | M | 97.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 14% | 0.143 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 15.1 | -170.8 | -60.4 | -63 | 96.5 | 0 | 0 | 115.8 | V264 S369 A440 V441 V442 S471 | V264-M473 HydrophobicContact CB-CE 4.25Å; V264-M473 HydrophobicContact CB-SD 4.44Å; V264-M473 HydrophobicContact CG2-CE 4.22Å; V264-M473 HydrophobicContact CG2-SD 4.23Å; S369-M473 WeakPolarHBondContact O-CG 3.31Å; A440-M473 HydrophobicContact CB-CE 4.07Å; A440-M473 HydrophobicContact CB-SD 3.87Å; V441-M473 PolarHBondContact O-N 2.7Å; V442-M473 HydrophobicContact CB-CE 4.38Å; V442-M473 HydrophobicContact CG2-CE 4.16Å; S471-M473 PolarHBondContact O-N 3.01Å |
| 474 | G | 97.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | trans | -65.3 | 136.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V441 S471 R472 | V441-G474 WeakPolarHBondContact CG2-O 3.26Å; V441-G474 PolarHBondContact N-O 2.78Å; S471-G474 PolarHBondContact O-N 3.21Å; R472-G474 PolarHBondContact O-N 2.67Å | ||
| 475 | P | 96.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 131 | -175.7 | 29.6 | -34.5 | 0 | 0 | 0 | 111.7 | R438 D439 Q478 | R438-P475 HydrophobicContact CB-CB 4.24Å; D439-P475 CarbonylContact O-C 3.51Å; D439-P475 VanDerWaalsContact O-CA 3.24Å; D439-P475 WeakPolarHBondContact O-CA 3.46Å; P475-Q478 WeakPolarHBondContact O-CG 3.5Å; P475-Q478 PolarHBondContact O-NE2 3.45Å |
| 476 | Y | 96.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 169.7 | 178.5 | 74.6 | -97.9 | 0 | 0 | 0 | 112.4 | N204 R438 D439 V441 L545 D546 G549 | N204-Y476 PolarHBondContact ND2-OH 2.79Å; N204-Y476 VanDerWaalsContact ND2-OH 3.09Å; R438-Y476 PolarHBondContact NH1-O 3.31Å; D439-Y476 HydrophobicContact CB-CD1 4.16Å; D439-Y476 HydrophobicContact CB-CE1 3.66Å; D439-Y476 HydrophobicContact CB-CE2 4.04Å; D439-Y476 WeakPolarHBondContact O-CD1 3.23Å; D439-Y476 PolarHBondContact O-N 3.04Å; V441-Y476 HydrophobicContact CG2-CD1 3.82Å; V441-Y476 HydrophobicContact CG2-CG 4.43Å; Y476-L545 HydrophobicContact CG-CD2 4.28Å; Y476-D546 VanDerWaalsContact CD2-O 3.29Å; Y476-D546 WeakPolarHBondContact CD2-O 3.21Å; Y476-G549 VanDerWaalsContact CE2-CA 3.47Å; Y476-G549 VanDerWaalsContact CE2-N 3.34Å |
| 477 | P | 95.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 58 Ų | 58 | 26% | 0.26 | 28% | 0.275 | S | S | . | . | S | Bend | cis | -60.8 | 153 | -6.7 | 27.1 | -37.3 | 0 | 0 | 0 | 113.8 | R438 L545 E547 | R438-P477 PolarHBondContact NH1-O 2.98Å; P477-L545 CarbonylContact C-O 3.58Å; P477-L545 VanDerWaalsContact CA-O 3.25Å; P477-L545 WeakPolarHBondContact CA-O 3.2Å; P477-L545 WeakPolarHBondContact CB-O 3.34Å; P477-E547 HydrophobicContact CG-CG 4.14Å |
| 478 | Q | 96.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 20% | 0.201 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144 | 176.2 | -72.3 | -170.1 | 17 | 0 | 0 | 112.6 | F470 P475 L545 | F470-Q478 HydrophobicContact CD1-CB 4.01Å; F470-Q478 HydrophobicContact CE1-CB 3.6Å; P475-Q478 WeakPolarHBondContact O-CG 3.5Å; P475-Q478 PolarHBondContact O-NE2 3.45Å; Q478-L545 PolarHBondContact N-O 3.18Å; Q478-L545 PolarHBondContact O-N 3.36Å |
| 479 | R | 97.1 | Very high | 94.1 | Very high | 190 Ų | 190 | 57.9 Ų | 57.9 | 72% | 0.717 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138 | 164.7 | -70.8 | -178.7 | -179.9 | 167.7 | -0.5 | 110.9 | F543 N544 | R479-F543 CarbonylContact C-O 3.47Å; R479-F543 WeakPolarHBondContact CA-O 3.42Å; R479-N544 HydrophobicContact CG-CB 3.95Å; R479-N544 WeakPolarHBondContact CG-OD1 3.48Å; R479-N544 PolarHBondContact NE-OD1 3.48Å |
| 480 | K | 97.2 | Very high | 94 | Very high | 73 Ų | 73 | 62 Ų | 62 | 32% | 0.317 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 149 | 177.7 | -74.8 | -172.3 | 176.2 | 177.6 | 0 | 111.7 | L469 F470 F543 | L469-K480 HydrophobicContact CD2-CB 4.48Å; L469-K480 WeakPolarHBondContact O-CD 3.25Å; L469-K480 WeakPolarHBondContact O-CE 3.18Å; L469-K480 PolarHBondContact O-NZ 3.43Å; F470-K480 HydrophobicContact CD1-CD 4.3Å; F470-K480 HydrophobicContact CE1-CB 4.4Å; F470-K480 HydrophobicContact CE1-CD 4.02Å; F470-K480 HydrophobicContact CE1-CG 4.09Å; F470-K480 HydrophobicContact CZ-CB 4.43Å; K480-F543 PolarHBondContact N-O 2.91Å; K480-F543 PolarHBondContact O-N 2.93Å |
| 481 | V | 96.8 | Very high | 93.8 | Very high | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.2 | -179.7 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | K540 A541 H542 | V481-K540 HydrophobicContact CG1-CB 3.85Å; V481-K540 HydrophobicContact CG1-CG 4.35Å; V481-A541 VanDerWaalsContact CA-O 3.31Å; V481-A541 WeakPolarHBondContact CA-O 3.26Å; V481-H542 WeakPolarHBondContact CG2-CE1 3.24Å; V481-H542 WeakPolarHBondContact CG2-ND1 3.48Å |
| 482 | I | 95.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119 | 171.6 | -63.3 | -63.9 | 0 | 0 | 0 | 108.8 | R467 L469 F484 K540 A541 F543 | R467-I482 HydrophobicContact CB-CD1 4.36Å; L469-I482 HydrophobicContact CD2-CD1 3.9Å; L469-I482 HydrophobicContact CD2-CG1 3.51Å; I482-F484 HydrophobicContact CB-CE2 4.41Å; I482-F484 HydrophobicContact CB-CZ 4.48Å; I482-F484 HydrophobicContact CG2-CD1 4.36Å; I482-F484 HydrophobicContact CG2-CD2 4.31Å; I482-F484 HydrophobicContact CG2-CE1 3.98Å; I482-F484 HydrophobicContact CG2-CE2 3.94Å; I482-F484 HydrophobicContact CG2-CZ 3.76Å; I482-K540 WeakPolarHBondContact O-CA 3.31Å; I482-A541 PolarHBondContact N-O 2.89Å; I482-A541 PolarHBondContact O-N 3.35Å; I482-F543 HydrophobicContact CB-CE2 4.04Å; I482-F543 HydrophobicContact CG1-CD2 4.29Å; I482-F543 HydrophobicContact CG1-CE2 3.83Å |
| 483 | T | 95.2 | Very high | 93.7 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.8 | 169.2 | -42.5 | 0 | 0 | 0 | 0 | 110.6 | R467 N485 K537 I539 K540 | R467-T483 PolarHBondContact NH1-O 3.16Å; T483-N485 WeakPolarHBondContact CG2-OD1 3.46Å; T483-K537 WeakPolarHBondContact CG2-O 3.46Å; T483-I539 CarbonylContact C-O 3.59Å; T483-I539 WeakPolarHBondContact CA-O 3.46Å; T483-K540 HydrophobicContact CG2-CG 3.96Å |
| 484 | F | 93.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 104.3 | 168.9 | -55.8 | -85.7 | 0 | 0 | 0 | 108.6 | V447 F449 I482 Y487 F491 F493 G538 I539 A541 | V447-F484 HydrophobicContact CG1-CE1 4.16Å; V447-F484 HydrophobicContact CG1-CZ 3.97Å; F449-F484 HydrophobicContact CB-CD1 4.46Å; F449-F484 HydrophobicContact CB-CE1 4.05Å; F449-F484 HydrophobicContact CD1-CD1 4.31Å; F449-F484 AromaticContact CD1-CE1 3.77Å; F449-F484 HydrophobicContact CD1-CE1 3.77Å; F449-F484 AromaticContact CD2-CD1 3.93Å; F449-F484 HydrophobicContact CD2-CD1 3.93Å; F449-F484 HydrophobicContact CD2-CE1 4.16Å; F449-F484 HydrophobicContact CE1-CE1 4.23Å; F449-F484 HydrophobicContact CE2-CD1 4.19Å; F449-F484 AromaticContact CG-CD1 3.98Å; F449-F484 HydrophobicContact CG-CD1 3.98Å; F449-F484 AromaticContact CG-CE1 3.73Å; F449-F484 HydrophobicContact CG-CE1 3.73Å; F449-F484 HydrophobicContact CZ-CD1 4.5Å; I482-F484 HydrophobicContact CB-CE2 4.41Å; I482-F484 HydrophobicContact CB-CZ 4.48Å; I482-F484 HydrophobicContact CG2-CD1 4.36Å; I482-F484 HydrophobicContact CG2-CD2 4.31Å; I482-F484 HydrophobicContact CG2-CE1 3.98Å; I482-F484 HydrophobicContact CG2-CE2 3.94Å; I482-F484 HydrophobicContact CG2-CZ 3.76Å; F484-Y487 HydrophobicContact CB-CD2 3.68Å; F484-Y487 HydrophobicContact CB-CE2 3.95Å; F484-F491 HydrophobicContact CB-CE2 4.31Å; F484-F491 HydrophobicContact CB-CZ 3.71Å; F484-F491 AromaticContact CD1-CE2 3.95Å; F484-F491 HydrophobicContact CD1-CE2 3.95Å; F484-F491 HydrophobicContact CD1-CZ 4.15Å; F484-F491 HydrophobicContact CD2-CE2 4.41Å; F484-F491 AromaticContact CD2-CZ 3.97Å; F484-F491 HydrophobicContact CD2-CZ 3.97Å; F484-F491 HydrophobicContact CE1-CE2 4.33Å; F484-F491 AromaticContact CG-CE2 4Å; F484-F491 HydrophobicContact CG-CE2 4Å; F484-F491 AromaticContact CG-CZ 3.7Å; F484-F491 HydrophobicContact CG-CZ 3.7Å; F484-F493 HydrophobicContact CE1-CB 4.13Å; F484-F493 HydrophobicContact CE1-CD1 4.13Å; F484-F493 HydrophobicContact CE1-CG 4.13Å; F484-F493 AromaticContact CE2-CD1 3.81Å; F484-F493 HydrophobicContact CE2-CD1 3.81Å; F484-F493 AromaticContact CE2-CE1 3.69Å; F484-F493 HydrophobicContact CE2-CE1 3.69Å; F484-F493 HydrophobicContact CE2-CG 4.42Å; F484-F493 HydrophobicContact CE2-CZ 4.21Å; F484-F493 HydrophobicContact CZ-CB 4.14Å; F484-F493 AromaticContact CZ-CD1 3.44Å; F484-F493 HydrophobicContact CZ-CD1 3.44Å; F484-F493 VanDerWaalsContact CZ-CD1 3.44Å; F484-F493 HydrophobicContact CZ-CD2 4.05Å; F484-F493 AromaticContact CZ-CE1 3.7Å; F484-F493 HydrophobicContact CZ-CE1 3.7Å; F484-F493 HydrophobicContact CZ-CE2 4.28Å; F484-F493 AromaticContact CZ-CG 3.62Å; F484-F493 HydrophobicContact CZ-CG 3.62Å; F484-F493 HydrophobicContact CZ-CZ 4.11Å; F484-G538 WeakPolarHBondContact O-CA 3.4Å; F484-I539 HydrophobicContact CB-CB 4.42Å; F484-I539 PolarHBondContact N-O 2.9Å; F484-I539 PolarHBondContact O-N 3.13Å; F484-A541 HydrophobicContact CE2-CB 3.84Å |
| 485 | N | 87.6 | Confident | 93.8 | Very high | 94 Ų | 94 | 62.2 Ų | 62.2 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | trans | -92.1 | 150.3 | 176.5 | -67.7 | -17.8 | 0 | 0 | 0 | 110.3 | T483 Y487 | T483-N485 WeakPolarHBondContact CG2-OD1 3.46Å; N485-Y487 WeakPolarHBondContact O-CD2 3.47Å | ||
| 486 | R | 82.8 | Confident | 93.8 | Very high | 207 Ų | 207 | 60.6 Ų | 60.6 | 78% | 0.781 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 68.4 | 26.9 | -179.1 | -47.9 | -176.3 | -178.5 | -168.8 | -0.8 | 115.3 | ||
| 487 | Y | 85.8 | Confident | 93.9 | Very high | 28 Ų | 28 | 60.6 Ų | 60.6 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | trans | -108.5 | 118.2 | 166.5 | -63.7 | -92.7 | 0 | 0 | 0 | 109 | F449 T450 R451 F484 N485 F491 F528 | F449-Y487 WeakPolarHBondContact CD2-OH 3.34Å; T450-Y487 VanDerWaalsContact C-OH 3.26Å; T450-Y487 PolarHBondContact O-OH 3.39Å; R451-Y487 VanDerWaalsContact CA-OH 3.29Å; R451-Y487 WeakPolarHBondContact CA-OH 3.49Å; R451-Y487 VanDerWaalsContact CB-OH 3.32Å; R451-Y487 WeakPolarHBondContact CB-OH 3.34Å; R451-Y487 HydrophobicContact CG-CE2 4.4Å; F484-Y487 HydrophobicContact CB-CD2 3.68Å; F484-Y487 HydrophobicContact CB-CE2 3.95Å; N485-Y487 WeakPolarHBondContact O-CD2 3.47Å; Y487-F491 HydrophobicContact CD1-CB 3.96Å; Y487-F491 AromaticContact CD1-CD1 3.58Å; Y487-F491 HydrophobicContact CD1-CD1 3.58Å; Y487-F491 AromaticContact CD1-CD2 3.72Å; Y487-F491 HydrophobicContact CD1-CD2 3.72Å; Y487-F491 AromaticContact CD1-CE1 3.91Å; Y487-F491 HydrophobicContact CD1-CE1 3.91Å; Y487-F491 HydrophobicContact CD1-CE2 4.05Å; Y487-F491 AromaticContact CD1-CG 3.47Å; Y487-F491 HydrophobicContact CD1-CG 3.47Å; Y487-F491 VanDerWaalsContact CD1-CG 3.47Å; Y487-F491 HydrophobicContact CD1-CZ 4.14Å; Y487-F491 HydrophobicContact CD2-CE1 4.38Å; Y487-F491 HydrophobicContact CD2-CZ 4.22Å; Y487-F491 HydrophobicContact CE1-CB 4.36Å; Y487-F491 HydrophobicContact CE1-CD1 4.47Å; Y487-F491 AromaticContact CE1-CD2 3.8Å; Y487-F491 HydrophobicContact CE1-CD2 3.8Å; Y487-F491 HydrophobicContact CE1-CE2 4.17Å; Y487-F491 AromaticContact CE1-CG 3.97Å; Y487-F491 HydrophobicContact CE1-CG 3.97Å; Y487-F491 AromaticContact CG-CD1 3.8Å; Y487-F491 HydrophobicContact CG-CD1 3.8Å; Y487-F491 HydrophobicContact CG-CD2 4.33Å; Y487-F491 AromaticContact CG-CE1 3.67Å; Y487-F491 HydrophobicContact CG-CE1 3.67Å; Y487-F491 HydrophobicContact CG-CE2 4.23Å; Y487-F491 HydrophobicContact CG-CG 4.13Å; Y487-F491 AromaticContact CG-CZ 3.91Å; Y487-F491 HydrophobicContact CG-CZ 3.91Å; Y487-F528 WeakPolarHBondContact O-CE2 3.4Å; Y487-F528 VanDerWaalsContact O-CZ 3.32Å; Y487-F528 WeakPolarHBondContact O-CZ 3.48Å | ||
| 488 | S | 86.3 | Confident | 93.9 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 38% | 0.378 | 28% | 0.282 | S | S | . | . | trans | -116.4 | 1.9 | 179.1 | 54 | 0 | 0 | 0 | 0 | 113.2 | G525 | S488-G525 VanDerWaalsContact O-CA 3.27Å; S488-G525 WeakPolarHBondContact O-CA 3.45Å | ||
| 489 | H | 90.8 | Very high | 93.8 | Very high | 136 Ų | 136 | 63.3 Ų | 63.3 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -138.6 | 166.1 | -176.9 | -68.1 | 83.9 | 0 | 0 | 0 | 109.5 | V524 | H489-V524 WeakPolarHBondContact O-CG1 3.48Š|
| 490 | D | 94.2 | Very high | 93.8 | Very high | 85 Ų | 85 | 54.6 Ų | 54.6 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | trans | -60.8 | 132.4 | 179.4 | -70.7 | 5.8 | 0 | 0 | 0 | 110.8 | L521 K522 G523 V524 G525 | D490-L521 VanDerWaalsContact CB-O 3.31Å; D490-L521 WeakPolarHBondContact CB-O 3.45Å; D490-K522 WeakPolarHBondContact OD2-CA 3.41Å; D490-G523 VanDerWaalsContact CG-N 3.35Å; D490-G523 PolarHBondContact OD1-N 2.92Å; D490-G523 PolarHBondContact OD2-N 3.21Å; D490-V524 WeakPolarHBondContact OD1-CA 3.2Å; D490-V524 WeakPolarHBondContact OD1-CB 3.42Å; D490-V524 PolarHBondContact OD1-N 2.84Å; D490-G525 PolarHBondContact OD1-N 3.17Å | ||
| 491 | F | 94.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | trans | -148.8 | 165.3 | -174.6 | 75.7 | -83.2 | 0 | 0 | 0 | 112.1 | F484 Y487 F493 L521 I539 | F484-F491 HydrophobicContact CB-CE2 4.31Å; F484-F491 HydrophobicContact CB-CZ 3.71Å; F484-F491 AromaticContact CD1-CE2 3.95Å; F484-F491 HydrophobicContact CD1-CE2 3.95Å; F484-F491 HydrophobicContact CD1-CZ 4.15Å; F484-F491 HydrophobicContact CD2-CE2 4.41Å; F484-F491 AromaticContact CD2-CZ 3.97Å; F484-F491 HydrophobicContact CD2-CZ 3.97Å; F484-F491 HydrophobicContact CE1-CE2 4.33Å; F484-F491 AromaticContact CG-CE2 4Å; F484-F491 HydrophobicContact CG-CE2 4Å; F484-F491 AromaticContact CG-CZ 3.7Å; F484-F491 HydrophobicContact CG-CZ 3.7Å; Y487-F491 HydrophobicContact CD1-CB 3.96Å; Y487-F491 AromaticContact CD1-CD1 3.58Å; Y487-F491 HydrophobicContact CD1-CD1 3.58Å; Y487-F491 AromaticContact CD1-CD2 3.72Å; Y487-F491 HydrophobicContact CD1-CD2 3.72Å; Y487-F491 AromaticContact CD1-CE1 3.91Å; Y487-F491 HydrophobicContact CD1-CE1 3.91Å; Y487-F491 HydrophobicContact CD1-CE2 4.05Å; Y487-F491 AromaticContact CD1-CG 3.47Å; Y487-F491 HydrophobicContact CD1-CG 3.47Å; Y487-F491 VanDerWaalsContact CD1-CG 3.47Å; Y487-F491 HydrophobicContact CD1-CZ 4.14Å; Y487-F491 HydrophobicContact CD2-CE1 4.38Å; Y487-F491 HydrophobicContact CD2-CZ 4.22Å; Y487-F491 HydrophobicContact CE1-CB 4.36Å; Y487-F491 HydrophobicContact CE1-CD1 4.47Å; Y487-F491 AromaticContact CE1-CD2 3.8Å; Y487-F491 HydrophobicContact CE1-CD2 3.8Å; Y487-F491 HydrophobicContact CE1-CE2 4.17Å; Y487-F491 AromaticContact CE1-CG 3.97Å; Y487-F491 HydrophobicContact CE1-CG 3.97Å; Y487-F491 AromaticContact CG-CD1 3.8Å; Y487-F491 HydrophobicContact CG-CD1 3.8Å; Y487-F491 HydrophobicContact CG-CD2 4.33Å; Y487-F491 AromaticContact CG-CE1 3.67Å; Y487-F491 HydrophobicContact CG-CE1 3.67Å; Y487-F491 HydrophobicContact CG-CE2 4.23Å; Y487-F491 HydrophobicContact CG-CG 4.13Å; Y487-F491 AromaticContact CG-CZ 3.91Å; Y487-F491 HydrophobicContact CG-CZ 3.91Å; F491-F493 HydrophobicContact CE2-CD1 4.19Å; F491-L521 HydrophobicContact CD1-CD1 4.17Å; F491-L521 HydrophobicContact CE1-CD1 3.6Å; F491-L521 HydrophobicContact CE2-CD1 4.16Å; F491-L521 HydrophobicContact CZ-CD1 3.59Å; F491-L521 WeakPolarHBondContact O-CB 3.49Å; F491-L521 PolarHBondContact O-N 3.11Å; F491-I539 HydrophobicContact CE1-CB 4.43Å; F491-I539 HydrophobicContact CE1-CG1 4.2Å | ||
| 492 | N | 95.4 | Very high | 93.4 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 148.6 | 179.2 | -54.6 | -23.6 | 0 | 0 | 0 | 110.7 | T518 V519 K520 | N492-T518 HydrophobicContact CB-CG2 4.34Å; N492-V519 CarbonylContact C-O 3.52Å; N492-V519 VanDerWaalsContact CA-O 3.23Å; N492-V519 WeakPolarHBondContact CA-O 3.34Å; N492-K520 VanDerWaalsContact OD1-CA 3.29Å; N492-K520 WeakPolarHBondContact OD1-CA 3.4Å; N492-K520 VanDerWaalsContact OD1-CB 3.24Å; N492-K520 WeakPolarHBondContact OD1-CB 3.33Å; N492-K520 WeakPolarHBondContact OD1-CG 3.46Å |
| 493 | F | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 163 | 165.3 | 67.4 | -98.4 | 0 | 0 | 0 | 110.6 | V447 F449 F484 F491 I495 V519 L521 A541 F543 L553 | V447-F493 HydrophobicContact CG1-CB 4.41Å; V447-F493 HydrophobicContact CG1-CD2 3.7Å; V447-F493 HydrophobicContact CG1-CE2 4.28Å; V447-F493 HydrophobicContact CG1-CG 4.29Å; V447-F493 HydrophobicContact CG2-CE2 4.48Å; F449-F493 HydrophobicContact CB-CB 4Å; F484-F493 HydrophobicContact CE1-CB 4.13Å; F484-F493 HydrophobicContact CE1-CD1 4.13Å; F484-F493 HydrophobicContact CE1-CG 4.13Å; F484-F493 AromaticContact CE2-CD1 3.81Å; F484-F493 HydrophobicContact CE2-CD1 3.81Å; F484-F493 AromaticContact CE2-CE1 3.69Å; F484-F493 HydrophobicContact CE2-CE1 3.69Å; F484-F493 HydrophobicContact CE2-CG 4.42Å; F484-F493 HydrophobicContact CE2-CZ 4.21Å; F484-F493 HydrophobicContact CZ-CB 4.14Å; F484-F493 AromaticContact CZ-CD1 3.44Å; F484-F493 HydrophobicContact CZ-CD1 3.44Å; F484-F493 VanDerWaalsContact CZ-CD1 3.44Å; F484-F493 HydrophobicContact CZ-CD2 4.05Å; F484-F493 AromaticContact CZ-CE1 3.7Å; F484-F493 HydrophobicContact CZ-CE1 3.7Å; F484-F493 HydrophobicContact CZ-CE2 4.28Å; F484-F493 AromaticContact CZ-CG 3.62Å; F484-F493 HydrophobicContact CZ-CG 3.62Å; F484-F493 HydrophobicContact CZ-CZ 4.11Å; F491-F493 HydrophobicContact CE2-CD1 4.19Å; F493-I495 HydrophobicContact CE2-CG1 4.15Å; F493-V519 HydrophobicContact CD1-CB 4.17Å; F493-V519 HydrophobicContact CD1-CG1 4.3Å; F493-V519 HydrophobicContact CD2-CB 3.98Å; F493-V519 HydrophobicContact CD2-CG2 4.1Å; F493-V519 HydrophobicContact CE1-CB 3.87Å; F493-V519 HydrophobicContact CE1-CG1 3.63Å; F493-V519 HydrophobicContact CE2-CB 3.66Å; F493-V519 HydrophobicContact CE2-CG1 4.12Å; F493-V519 HydrophobicContact CE2-CG2 3.51Å; F493-V519 HydrophobicContact CG-CB 4.24Å; F493-V519 HydrophobicContact CZ-CB 3.61Å; F493-V519 HydrophobicContact CZ-CG1 3.53Å; F493-V519 HydrophobicContact CZ-CG2 3.78Å; F493-V519 PolarHBondContact N-O 3.2Å; F493-V519 PolarHBondContact O-N 2.92Å; F493-L521 HydrophobicContact CD1-CD1 4.38Å; F493-L521 HydrophobicContact CE1-CD1 4.17Å; F493-L521 HydrophobicContact CE1-CD2 4.31Å; F493-L521 HydrophobicContact CE1-CG 4.4Å; F493-A541 HydrophobicContact CE1-CB 4.33Å; F493-A541 HydrophobicContact CZ-CB 3.95Å; F493-F543 HydrophobicContact CE2-CE1 4.12Å; F493-F543 AromaticContact CE2-CZ 3.68Å; F493-F543 HydrophobicContact CE2-CZ 3.68Å; F493-F543 HydrophobicContact CZ-CE1 4.44Å; F493-F543 AromaticContact CZ-CZ 3.88Å; F493-F543 HydrophobicContact CZ-CZ 3.88Å; F493-L553 HydrophobicContact CZ-CD2 4.16Å |
| 494 | H | 97.3 | Very high | 93.2 | Very high | 71 Ų | 71 | 52.6 Ų | 52.6 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.5 | -177.7 | -59.1 | 82.5 | 0 | 0 | 0 | 110.2 | V447 E448 T517 T518 | V447-H494 CarbonylContact C-O 3.57Å; V447-H494 VanDerWaalsContact CA-O 3.23Å; V447-H494 WeakPolarHBondContact CA-O 3.38Å; E448-H494 HydrophobicContact CB-CB 4.34Å; E448-H494 PolarHBondContact N-O 3.2Å; E448-H494 PolarHBondContact O-N 2.85Å; H494-T517 CarbonylContact C-O 3.5Å; H494-T517 WeakPolarHBondContact CA-O 3.36Å; H494-T518 PolarHBondContact CD2-OG1 2.8Å; H494-T518 PolarHBondContact NE2-OG1 2.89Å; H494-T518 VanDerWaalsContact NE2-OG1 3.17Å |
| 495 | I | 97.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.5 | 167 | -49.2 | 177.5 | 0 | 0 | 0 | 106.2 | I445 L446 V447 F493 L516 T517 V519 F543 L551 | I445-I495 HydrophobicContact CG2-CG2 3.79Å; L446-I495 WeakPolarHBondContact O-CA 3.1Å; V447-I495 HydrophobicContact CG2-CG1 4.45Å; F493-I495 HydrophobicContact CE2-CG1 4.15Å; I495-L516 HydrophobicContact CB-CB 4.35Å; I495-L516 HydrophobicContact CG2-CB 4.22Å; I495-L516 HydrophobicContact CG2-CD1 4.05Å; I495-L516 WeakPolarHBondContact O-CA 3.5Å; I495-L516 WeakPolarHBondContact O-CB 3.42Å; I495-L516 PolarHBondContact O-N 3.41Å; I495-T517 PolarHBondContact N-O 2.78Å; I495-T517 PolarHBondContact O-N 2.85Å; I495-V519 HydrophobicContact CD1-CG2 3.84Å; I495-V519 HydrophobicContact CG1-CG2 4.01Å; I495-F543 HydrophobicContact CD1-CD1 4.41Å; I495-F543 HydrophobicContact CD1-CE1 3.77Å; I495-F543 HydrophobicContact CG1-CE1 4.24Å; I495-L551 HydrophobicContact CD1-CD2 4.31Å; I495-L551 HydrophobicContact CG2-CD2 3.65Å |
| 496 | N | 97.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.064 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 165.2 | 179 | -59.3 | -22 | 0 | 0 | 0 | 109.5 | L446 E448 Q514 N515 | L446-N496 HydrophobicContact CD1-CB 3.9Å; L446-N496 PolarHBondContact N-O 2.92Å; L446-N496 PolarHBondContact O-N 3.3Å; E448-N496 PolarHBondContact OE1-ND2 3.31Å; E448-N496 VanDerWaalsContact OE1-ND2 3.14Å; E448-N496 PolarHBondContact OE2-ND2 3.04Å; N496-Q514 WeakPolarHBondContact CA-O 3.47Å; N496-N515 WeakPolarHBondContact OD1-CA 3.36Å; N496-N515 PolarHBondContact OD1-OD1 2.95Å |
| 497 | Y | 97.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 156 | 161.6 | -65.2 | -81.2 | 0 | 0 | 0 | 110.4 | N181 Q182 P444 I445 F511 Q514 L516 | N181-Y497 WeakPolarHBondContact CB-OH 3.44Å; Q182-Y497 WeakPolarHBondContact CB-OH 3.46Å; Q182-Y497 HydrophobicContact CG-CE1 4.3Å; Q182-Y497 WeakPolarHBondContact CG-OH 3.31Å; Q182-Y497 PolarHBondContact N-OH 2.96Å; P444-Y497 CarbonylContact O-C 3.56Å; P444-Y497 VanDerWaalsContact O-CA 3.28Å; P444-Y497 WeakPolarHBondContact O-CA 3.32Å; I445-Y497 HydrophobicContact CG1-CD1 4.27Å; Y497-F511 AromaticContact CD1-CZ 3.87Å; Y497-F511 HydrophobicContact CD1-CZ 3.87Å; Y497-F511 AromaticContact CD2-CE1 3.61Å; Y497-F511 HydrophobicContact CD2-CE1 3.61Å; Y497-F511 AromaticContact CD2-CZ 3.72Å; Y497-F511 HydrophobicContact CD2-CZ 3.72Å; Y497-F511 AromaticContact CE1-CZ 3.71Å; Y497-F511 HydrophobicContact CE1-CZ 3.71Å; Y497-F511 AromaticContact CE2-CE1 3.59Å; Y497-F511 HydrophobicContact CE2-CE1 3.59Å; Y497-F511 AromaticContact CE2-CZ 3.54Å; Y497-F511 HydrophobicContact CE2-CZ 3.54Å; Y497-F511 HydrophobicContact CG-CE1 4.09Å; Y497-F511 AromaticContact CG-CZ 3.86Å; Y497-F511 HydrophobicContact CG-CZ 3.86Å; Y497-F511 AromaticContact CZ-CZ 3.51Å; Y497-Q514 WeakPolarHBondContact CD2-O 3.48Å; Y497-Q514 PolarHBondContact N-O 2.83Å; Y497-L516 HydrophobicContact CD1-CD1 4.48Å; Y497-L516 HydrophobicContact CD2-CD1 4.42Å; Y497-L516 HydrophobicContact CD2-CD2 4.3Å; Y497-L516 HydrophobicContact CD2-CG 4.08Å; Y497-L516 HydrophobicContact CE1-CD1 4.3Å; Y497-L516 HydrophobicContact CE1-CD2 4.44Å; Y497-L516 HydrophobicContact CE2-CD1 4.26Å; Y497-L516 HydrophobicContact CE2-CD2 3.49Å; Y497-L516 VanDerWaalsContact CE2-CD2 3.49Å; Y497-L516 HydrophobicContact CE2-CG 3.77Å |
| 498 | G | 96.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | trans | -85.1 | -143.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P444 L500 | P444-G498 PolarHBondContact O-N 3.35Å; G498-L500 PolarHBondContact O-N 2.85Å | ||
| 499 | D | 94.6 | Very high | 94.7 | Very high | 127 Ų | 127 | 55.7 Ų | 55.7 | 68% | 0.679 | 30% | 0.303 | S | S | * | . | trans | -66.2 | 122.5 | 174.3 | -177.4 | 20.1 | 0 | 0 | 0 | 111.5 | P444 G501 | P444-D499 WeakPolarHBondContact CG-O 3.36Å; D499-G501 PolarHBondContact OD1-N 3.49Å | ||
| 500 | L | 96.1 | Very high | 94.9 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | trans | -115.1 | 10.6 | 176.7 | -63.6 | 179.1 | 0 | 0 | 0 | 112.1 | Y443 G498 F502 L503 L508 F511 Q514 | Y443-L500 HydrophobicContact CD1-CD2 3.76Å; Y443-L500 HydrophobicContact CG-CD2 4.48Å; G498-L500 PolarHBondContact O-N 2.85Å; L500-F502 HydrophobicContact CD2-CE1 4.11Å; L500-F502 HydrophobicContact CD2-CZ 4.48Å; L500-F502 PolarHBondContact O-N 3.05Å; L500-L503 HydrophobicContact CB-CD1 4.33Å; L500-L503 HydrophobicContact CD2-CD1 4.43Å; L500-L503 WeakPolarHBondContact O-CB 3.49Å; L500-L503 PolarHBondContact O-N 2.61Å; L500-L508 HydrophobicContact CB-CD2 3.8Å; L500-L508 HydrophobicContact CD1-CD2 4.39Å; L500-F511 HydrophobicContact CD1-CD1 4.04Å; L500-F511 HydrophobicContact CD1-CE1 3.62Å; L500-F511 HydrophobicContact CD1-CZ 3.97Å; L500-F511 HydrophobicContact CD2-CZ 4.48Å; L500-Q514 HydrophobicContact CD1-CG 4.01Å | ||
| 501 | G | 94.1 | Very high | 94.9 | Very high | 63 Ų | 63 | 45.9 Ų | 45.9 | 65% | 0.649 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 1.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D499 | D499-G501 PolarHBondContact OD1-N 3.49Š|
| 502 | F | 92.8 | Very high | 94.8 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 20% | 0.202 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.4 | 168 | 71.3 | -90.7 | 0 | 0 | 0 | 113.6 | V442 Y443 R472 L500 | V442-F502 HydrophobicContact CG1-CE2 4.42Å; V442-F502 HydrophobicContact CG1-CZ 4.29Å; V442-F502 WeakPolarHBondContact O-CZ 3.2Å; Y443-F502 AromaticContact CD1-CZ 3.83Å; Y443-F502 HydrophobicContact CD1-CZ 3.83Å; Y443-F502 HydrophobicContact CE1-CE2 4.39Å; Y443-F502 AromaticContact CE1-CZ 3.95Å; Y443-F502 HydrophobicContact CE1-CZ 3.95Å; R472-F502 VanDerWaalsContact NH2-CG 3.3Å; L500-F502 HydrophobicContact CD2-CE1 4.11Å; L500-F502 HydrophobicContact CD2-CZ 4.48Å; L500-F502 PolarHBondContact O-N 3.05Å |
| 503 | L | 94.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -86.7 | 139.6 | 173.1 | -62.7 | -178 | 0 | 0 | 0 | 109.6 | F266 Y443 L500 D507 L508 F511 | F266-L503 HydrophobicContact CE2-CD2 4.35Å; F266-L503 HydrophobicContact CZ-CD2 3.76Å; Y443-L503 HydrophobicContact CE1-CD1 4.07Å; Y443-L503 HydrophobicContact CE1-CD2 4.3Å; L500-L503 HydrophobicContact CB-CD1 4.33Å; L500-L503 HydrophobicContact CD2-CD1 4.43Å; L500-L503 WeakPolarHBondContact O-CB 3.49Å; L500-L503 PolarHBondContact O-N 2.61Å; L503-D507 HydrophobicContact CB-CB 3.92Å; L503-D507 HydrophobicContact CD2-CB 4.21Å; L503-L508 HydrophobicContact CB-CD2 3.91Å; L503-L508 HydrophobicContact CB-CG 3.82Å; L503-L508 HydrophobicContact CD1-CD2 3.96Å; L503-F511 HydrophobicContact CD1-CB 4.37Å; L503-F511 HydrophobicContact CD1-CD2 4.14Å; L503-F511 HydrophobicContact CD1-CG 4.32Å |
| 504 | G | 91.8 | Very high | 94.6 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | trans | -64.9 | 162.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | E506 D507 L508 | G504-E506 PolarHBondContact O-N 3.17Å; G504-E506 VanDerWaalsContact O-N 3.14Å; G504-D507 PolarHBondContact N-OD2 3.28Å; G504-D507 PolarHBondContact O-N 3.12Å; G504-D507 VanDerWaalsContact O-N 3.1Å; G504-L508 WeakPolarHBondContact O-CG 3.29Å; G504-L508 PolarHBondContact O-N 2.9Å | ||
| 505 | P | 92.3 | Very high | 94.4 | Very high | 107 Ų | 107 | 49 Ų | 49 | 70% | 0.695 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -54 | -34.5 | 175.4 | -27 | 35.6 | 0 | 0 | 0 | 113.2 | R509 | P505-R509 WeakPolarHBondContact O-CG 3.29Å; P505-R509 PolarHBondContact O-N 2.99Å |
| 506 | E | 90.9 | Very high | 94.3 | Very high | 103 Ų | 103 | 49 Ų | 49 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.5 | -48.7 | 174.7 | -63.1 | -54.1 | 142.9 | 0 | 0 | 112.6 | G504 L508 R509 V510 | G504-E506 PolarHBondContact O-N 3.17Å; G504-E506 VanDerWaalsContact O-N 3.14Å; E506-L508 VanDerWaalsContact C-N 3.25Å; E506-L508 PolarHBondContact O-N 3.13Å; E506-R509 PolarHBondContact O-N 2.75Å; E506-R509 IonicContact OE1-CZ 3.29Å; E506-R509 IonicContact OE1-NE 2.66Å; E506-R509 IonicContact OE1-NH2 3.08Å; E506-R509 PolarHBondContact OE1-NH2 2.84Å; E506-R509 IonicContact OE2-CZ 2.66Å; E506-R509 IonicContact OE2-NE 3.49Å; E506-R509 PolarHBondContact OE2-NE 2.88Å; E506-R509 IonicContact OE2-NH2 2.67Å; E506-R509 PolarHBondContact OE2-NH2 3.15Å; E506-V510 WeakPolarHBondContact O-CG2 3.38Å; E506-V510 PolarHBondContact O-N 3.11Å |
| 507 | D | 93.6 | Very high | 94.3 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -35.5 | 176.8 | -66.5 | -67.3 | 0 | 0 | 0 | 112.1 | L503 G504 V510 F511 | L503-D507 HydrophobicContact CB-CB 3.92Å; L503-D507 HydrophobicContact CD2-CB 4.21Å; G504-D507 PolarHBondContact N-OD2 3.28Å; G504-D507 PolarHBondContact O-N 3.12Å; G504-D507 VanDerWaalsContact O-N 3.1Å; D507-V510 CarbonylContact O-C 3.54Å; D507-V510 PolarHBondContact O-N 3.06Å; D507-F511 WeakPolarHBondContact O-CB 3.31Å; D507-F511 PolarHBondContact O-N 2.78Å |
| 508 | L | 94.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 50 Ų | 50 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 173.7 | -72.6 | 168.2 | 0 | 0 | 0 | 112.3 | L500 L503 G504 E506 F511 G512 | L500-L508 HydrophobicContact CB-CD2 3.8Å; L500-L508 HydrophobicContact CD1-CD2 4.39Å; L503-L508 HydrophobicContact CB-CD2 3.91Å; L503-L508 HydrophobicContact CB-CG 3.82Å; L503-L508 HydrophobicContact CD1-CD2 3.96Å; G504-L508 WeakPolarHBondContact O-CG 3.29Å; G504-L508 PolarHBondContact O-N 2.9Å; E506-L508 VanDerWaalsContact C-N 3.25Å; E506-L508 PolarHBondContact O-N 3.13Å; L508-F511 PolarHBondContact O-N 3.42Å; L508-G512 PolarHBondContact O-N 2.96Å |
| 509 | R | 94.7 | Very high | 94.3 | Very high | 144 Ų | 144 | 49.4 Ų | 49.4 | 54% | 0.543 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.4 | -37.2 | 173 | -64.8 | -165.4 | -60.9 | -157.2 | 8.6 | 112.1 | N110 P111 P505 E506 | N110-R509 PolarHBondContact ND2-O 3.49Å; P111-R509 HydrophobicContact CG-CB 3.75Å; P505-R509 WeakPolarHBondContact O-CG 3.29Å; P505-R509 PolarHBondContact O-N 2.99Å; E506-R509 PolarHBondContact O-N 2.75Å; E506-R509 IonicContact OE1-CZ 3.29Å; E506-R509 IonicContact OE1-NE 2.66Å; E506-R509 IonicContact OE1-NH2 3.08Å; E506-R509 PolarHBondContact OE1-NH2 2.84Å; E506-R509 IonicContact OE2-CZ 2.66Å; E506-R509 IonicContact OE2-NE 3.49Å; E506-R509 PolarHBondContact OE2-NE 2.88Å; E506-R509 IonicContact OE2-NH2 2.67Å; E506-R509 PolarHBondContact OE2-NH2 3.15Å |
| 510 | V | 95.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 112.1 | K106 N110 P111 H112 E506 D507 | K106-V510 PolarHBondContact NZ-O 3.35Å; N110-V510 PolarHBondContact ND2-O 2.87Å; P111-V510 HydrophobicContact CB-CG2 4.04Å; P111-V510 HydrophobicContact CG-CG2 4.25Å; H112-V510 VanDerWaalsContact CD2-CG2 3.42Å; H112-V510 WeakPolarHBondContact CD2-CG2 3.45Å; E506-V510 WeakPolarHBondContact O-CG2 3.38Å; E506-V510 PolarHBondContact O-N 3.11Å; D507-V510 CarbonylContact O-C 3.54Å; D507-V510 PolarHBondContact O-N 3.06Å |
| 511 | F | 95.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 176.4 | -174.7 | -90.6 | 0 | 0 | 0 | 112 | N181 Y443 Y497 L500 L503 D507 L508 | N181-F511 HydrophobicContact CB-CD2 4.19Å; N181-F511 HydrophobicContact CB-CE2 3.62Å; N181-F511 HydrophobicContact CB-CZ 4.06Å; N181-F511 PolarHBondContact ND2-O 3.28Å; N181-F511 VanDerWaalsContact ND2-O 3.07Å; Y443-F511 HydrophobicContact CD1-CD2 4.3Å; Y443-F511 AromaticContact CD1-CE2 3.55Å; Y443-F511 HydrophobicContact CD1-CE2 3.55Å; Y443-F511 HydrophobicContact CD1-CZ 4.23Å; Y443-F511 AromaticContact CD2-CE2 3.84Å; Y443-F511 HydrophobicContact CD2-CE2 3.84Å; Y443-F511 AromaticContact CE1-CD2 3.96Å; Y443-F511 HydrophobicContact CE1-CD2 3.96Å; Y443-F511 AromaticContact CE1-CE2 3.62Å; Y443-F511 HydrophobicContact CE1-CE2 3.62Å; Y443-F511 HydrophobicContact CE2-CD2 4.5Å; Y443-F511 AromaticContact CE2-CE2 3.89Å; Y443-F511 HydrophobicContact CE2-CE2 3.89Å; Y443-F511 AromaticContact CG-CE2 3.67Å; Y443-F511 HydrophobicContact CG-CE2 3.67Å; Y443-F511 HydrophobicContact CG-CZ 4.18Å; Y443-F511 AromaticContact CZ-CE2 3.79Å; Y497-F511 AromaticContact CD1-CZ 3.87Å; Y497-F511 HydrophobicContact CD1-CZ 3.87Å; Y497-F511 AromaticContact CD2-CE1 3.61Å; Y497-F511 HydrophobicContact CD2-CE1 3.61Å; Y497-F511 AromaticContact CD2-CZ 3.72Å; Y497-F511 HydrophobicContact CD2-CZ 3.72Å; Y497-F511 AromaticContact CE1-CZ 3.71Å; Y497-F511 HydrophobicContact CE1-CZ 3.71Å; Y497-F511 AromaticContact CE2-CE1 3.59Å; Y497-F511 HydrophobicContact CE2-CE1 3.59Å; Y497-F511 AromaticContact CE2-CZ 3.54Å; Y497-F511 HydrophobicContact CE2-CZ 3.54Å; Y497-F511 HydrophobicContact CG-CE1 4.09Å; Y497-F511 AromaticContact CG-CZ 3.86Å; Y497-F511 HydrophobicContact CG-CZ 3.86Å; Y497-F511 AromaticContact CZ-CZ 3.51Å; L500-F511 HydrophobicContact CD1-CD1 4.04Å; L500-F511 HydrophobicContact CD1-CE1 3.62Å; L500-F511 HydrophobicContact CD1-CZ 3.97Å; L500-F511 HydrophobicContact CD2-CZ 4.48Å; L503-F511 HydrophobicContact CD1-CB 4.37Å; L503-F511 HydrophobicContact CD1-CD2 4.14Å; L503-F511 HydrophobicContact CD1-CG 4.32Å; D507-F511 WeakPolarHBondContact O-CB 3.31Å; D507-F511 PolarHBondContact O-N 2.78Å; L508-F511 PolarHBondContact O-N 3.42Å |
| 512 | G | 92.3 | Very high | 94.5 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 35% | 0.351 | 26% | 0.255 | S | S | . | . | trans | 87.4 | -139 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L508 Q514 | L508-G512 PolarHBondContact O-N 2.96Å; G512-Q514 PolarHBondContact O-N 2.92Å | ||
| 513 | S | 91.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | trans | -60.1 | 132.1 | -174.6 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | N515 L644 | S513-N515 PolarHBondContact OG-N 3.48Å; S513-N515 PolarHBondContact OG-O 3.25Å; S513-L644 PolarHBondContact OG-O 2.91Å | ||
| 514 | Q | 94.3 | Very high | 94.4 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -91.2 | -6.3 | 175.6 | -59 | -176.4 | 18.7 | 0 | 0 | 112.7 | N496 Y497 L500 G512 | N496-Q514 WeakPolarHBondContact CA-O 3.47Å; Y497-Q514 WeakPolarHBondContact CD2-O 3.48Å; Y497-Q514 PolarHBondContact N-O 2.83Å; L500-Q514 HydrophobicContact CD1-CG 4.01Å; G512-Q514 PolarHBondContact O-N 2.92Å |
| 515 | N | 94.8 | Very high | 94.4 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.1 | 179.5 | -50.8 | -58.9 | 0 | 0 | 0 | 108.8 | N496 S513 L644 D645 | N496-N515 WeakPolarHBondContact OD1-CA 3.36Å; N496-N515 PolarHBondContact OD1-OD1 2.95Å; S513-N515 PolarHBondContact OG-N 3.48Å; S513-N515 PolarHBondContact OG-O 3.25Å; N515-L644 HydrophobicContact CB-CB 4.03Å; N515-L644 HydrophobicContact CB-CD1 3.98Å; N515-L644 CarbonylContact O-C 3.54Å; N515-L644 VanDerWaalsContact O-C 3.22Å; N515-L644 WeakPolarHBondContact O-CB 3.33Å; N515-D645 PolarHBondContact O-N 3.41Å |
| 516 | L | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -52 | -177.6 | -72.3 | 167.7 | 0 | 0 | 0 | 111.6 | Q182 I445 I495 Y497 L551 L644 D645 | Q182-L516 HydrophobicContact CB-CD2 3.77Å; Q182-L516 HydrophobicContact CG-CD1 4.35Å; Q182-L516 HydrophobicContact CG-CD2 3.81Å; I445-L516 HydrophobicContact CD1-CD1 4.31Å; I445-L516 HydrophobicContact CG1-CD1 4.36Å; I445-L516 HydrophobicContact CG2-CD1 4.13Å; I495-L516 HydrophobicContact CB-CB 4.35Å; I495-L516 HydrophobicContact CG2-CB 4.22Å; I495-L516 HydrophobicContact CG2-CD1 4.05Å; I495-L516 WeakPolarHBondContact O-CA 3.5Å; I495-L516 WeakPolarHBondContact O-CB 3.42Å; I495-L516 PolarHBondContact O-N 3.41Å; Y497-L516 HydrophobicContact CD1-CD1 4.48Å; Y497-L516 HydrophobicContact CD2-CD1 4.42Å; Y497-L516 HydrophobicContact CD2-CD2 4.3Å; Y497-L516 HydrophobicContact CD2-CG 4.08Å; Y497-L516 HydrophobicContact CE1-CD1 4.3Å; Y497-L516 HydrophobicContact CE1-CD2 4.44Å; Y497-L516 HydrophobicContact CE2-CD1 4.26Å; Y497-L516 HydrophobicContact CE2-CD2 3.49Å; Y497-L516 VanDerWaalsContact CE2-CD2 3.49Å; Y497-L516 HydrophobicContact CE2-CG 3.77Å; L516-L551 HydrophobicContact CD1-CD2 4.31Å; L516-L644 PolarHBondContact O-N 2.8Å; L516-D645 HydrophobicContact CD2-CB 4.17Å; L516-D645 WeakPolarHBondContact CD2-OD2 3.18Å |
| 517 | T | 96.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 13% | 0.129 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 130.2 | -169.9 | -42.3 | 0 | 0 | 0 | 0 | 112.3 | H494 I495 V519 L641 V642 | H494-T517 CarbonylContact C-O 3.5Å; H494-T517 WeakPolarHBondContact CA-O 3.36Å; I495-T517 PolarHBondContact N-O 2.78Å; I495-T517 PolarHBondContact O-N 2.85Å; T517-V519 HydrophobicContact CG2-CG2 4.33Å; T517-L641 HydrophobicContact CG2-CB 4.04Å; T517-L641 HydrophobicContact CG2-CD2 4.13Å; T517-V642 CarbonylContact C-O 3.57Å; T517-V642 VanDerWaalsContact CA-O 3.27Å; T517-V642 WeakPolarHBondContact CA-O 3.2Å; T517-V642 WeakPolarHBondContact CG2-O 3.33Å |
| 518 | T | 97.3 | Very high | 94.3 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 13% | 0.129 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.3 | 156.9 | -60.7 | 0 | 0 | 0 | 0 | 108.4 | N492 H494 K520 V642 | N492-T518 HydrophobicContact CB-CG2 4.34Å; H494-T518 PolarHBondContact CD2-OG1 2.8Å; H494-T518 PolarHBondContact NE2-OG1 2.89Å; H494-T518 VanDerWaalsContact NE2-OG1 3.17Å; T518-K520 HydrophobicContact CG2-CG 4.16Å; T518-V642 PolarHBondContact N-O 3.18Å; T518-V642 PolarHBondContact O-N 3.09Å |
| 519 | V | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.2 | 172.3 | -176.6 | 0 | 0 | 0 | 0 | 108 | N492 F493 I495 T517 L521 L553 V639 L641 | N492-V519 CarbonylContact C-O 3.52Å; N492-V519 VanDerWaalsContact CA-O 3.23Å; N492-V519 WeakPolarHBondContact CA-O 3.34Å; F493-V519 HydrophobicContact CD1-CB 4.17Å; F493-V519 HydrophobicContact CD1-CG1 4.3Å; F493-V519 HydrophobicContact CD2-CB 3.98Å; F493-V519 HydrophobicContact CD2-CG2 4.1Å; F493-V519 HydrophobicContact CE1-CB 3.87Å; F493-V519 HydrophobicContact CE1-CG1 3.63Å; F493-V519 HydrophobicContact CE2-CB 3.66Å; F493-V519 HydrophobicContact CE2-CG1 4.12Å; F493-V519 HydrophobicContact CE2-CG2 3.51Å; F493-V519 HydrophobicContact CG-CB 4.24Å; F493-V519 HydrophobicContact CZ-CB 3.61Å; F493-V519 HydrophobicContact CZ-CG1 3.53Å; F493-V519 HydrophobicContact CZ-CG2 3.78Å; F493-V519 PolarHBondContact N-O 3.2Å; F493-V519 PolarHBondContact O-N 2.92Å; I495-V519 HydrophobicContact CD1-CG2 3.84Å; I495-V519 HydrophobicContact CG1-CG2 4.01Å; T517-V519 HydrophobicContact CG2-CG2 4.33Å; V519-L521 HydrophobicContact CG1-CD2 3.86Å; V519-L553 HydrophobicContact CG1-CD2 3.69Å; V519-L553 HydrophobicContact CG2-CD2 3.99Å; V519-V639 HydrophobicContact CG1-CG1 3.83Å; V519-L641 HydrophobicContact CB-CD2 4.39Å; V519-L641 HydrophobicContact CG1-CD2 4.14Å; V519-L641 HydrophobicContact CG2-CD2 3.83Å |
| 520 | K | 97.4 | Very high | 94 | Very high | 61 Ų | 61 | 44 Ų | 44 | 27% | 0.265 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.5 | 174 | -46.1 | 177.7 | -166.7 | 160.3 | 0 | 109.3 | N492 T518 E640 | N492-K520 VanDerWaalsContact OD1-CA 3.29Å; N492-K520 WeakPolarHBondContact OD1-CA 3.4Å; N492-K520 VanDerWaalsContact OD1-CB 3.24Å; N492-K520 WeakPolarHBondContact OD1-CB 3.33Å; N492-K520 WeakPolarHBondContact OD1-CG 3.46Å; T518-K520 HydrophobicContact CG2-CG 4.16Å; K520-E640 HydrophobicContact CB-CB 4.26Å; K520-E640 WeakPolarHBondContact CD-OE1 3.37Å; K520-E640 WeakPolarHBondContact CE-OE1 3.34Å; K520-E640 PolarHBondContact N-O 2.86Å; K520-E640 IonicContact NZ-OE1 2.8Å; K520-E640 PolarHBondContact NZ-OE1 3.45Å; K520-E640 PolarHBondContact O-N 3.37Å |
| 521 | L | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 137.8 | -179.3 | -55.8 | -176.6 | 0 | 0 | 0 | 111.1 | D490 F491 F493 V519 V524 I539 V556 I637 G638 V639 | D490-L521 VanDerWaalsContact CB-O 3.31Å; D490-L521 WeakPolarHBondContact CB-O 3.45Å; F491-L521 HydrophobicContact CD1-CD1 4.17Å; F491-L521 HydrophobicContact CE1-CD1 3.6Å; F491-L521 HydrophobicContact CE2-CD1 4.16Å; F491-L521 HydrophobicContact CZ-CD1 3.59Å; F491-L521 WeakPolarHBondContact O-CB 3.49Å; F491-L521 PolarHBondContact O-N 3.11Å; F493-L521 HydrophobicContact CD1-CD1 4.38Å; F493-L521 HydrophobicContact CE1-CD1 4.17Å; F493-L521 HydrophobicContact CE1-CD2 4.31Å; F493-L521 HydrophobicContact CE1-CG 4.4Å; V519-L521 HydrophobicContact CG1-CD2 3.86Å; L521-V524 HydrophobicContact CB-CG2 3.92Å; L521-I539 HydrophobicContact CD1-CG2 4.13Å; L521-V556 HydrophobicContact CD1-CG1 4.04Å; L521-V556 HydrophobicContact CD2-CB 4.19Å; L521-V556 HydrophobicContact CD2-CG1 4.01Å; L521-V556 HydrophobicContact CD2-CG2 3.89Å; L521-I637 HydrophobicContact CB-CG2 3.91Å; L521-I637 HydrophobicContact CD2-CG2 4.29Å; L521-I637 HydrophobicContact CG-CG2 4.49Å; L521-G638 CarbonylContact C-O 3.53Å; L521-G638 WeakPolarHBondContact CA-O 3.38Å; L521-V639 HydrophobicContact CD2-CG2 4.05Å |
| 522 | K | 95.3 | Very high | 93.3 | Very high | 109 Ų | 109 | 49.5 Ų | 49.5 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.1 | -176.4 | -73.1 | 173.5 | 172.3 | 170.3 | 0 | 111.8 | D490 G638 E640 | D490-K522 WeakPolarHBondContact OD2-CA 3.41Å; K522-G638 PolarHBondContact N-O 3.41Å; K522-G638 PolarHBondContact O-N 2.9Å; K522-E640 IonicContact NZ-OE2 2.67Å; K522-E640 PolarHBondContact NZ-OE2 2.92Å |
| 523 | G | 92.6 | Very high | 93 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 24% | 0.237 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 80.9 | 12.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | D490 G525 D526 S527 | D490-G523 VanDerWaalsContact CG-N 3.35Å; D490-G523 PolarHBondContact OD1-N 2.92Å; D490-G523 PolarHBondContact OD2-N 3.21Å; G523-G525 VanDerWaalsContact C-N 3.34Å; G523-D526 PolarHBondContact O-N 3Å; G523-S527 PolarHBondContact O-N 3.25Å; G523-S527 VanDerWaalsContact O-N 3.12Å |
| 524 | V | 93 | Very high | 93 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -50.5 | 172.7 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | H489 D490 L521 D526 S527 F528 I539 I637 | H489-V524 WeakPolarHBondContact O-CG1 3.48Å; D490-V524 WeakPolarHBondContact OD1-CA 3.2Å; D490-V524 WeakPolarHBondContact OD1-CB 3.42Å; D490-V524 PolarHBondContact OD1-N 2.84Å; L521-V524 HydrophobicContact CB-CG2 3.92Å; V524-D526 VanDerWaalsContact C-N 3.28Å; V524-D526 PolarHBondContact O-N 3.4Å; V524-S527 WeakPolarHBondContact O-CB 3.35Å; V524-S527 PolarHBondContact O-N 2.9Å; V524-S527 VanDerWaalsContact O-N 3.15Å; V524-S527 PolarHBondContact O-OG 2.86Å; V524-F528 HydrophobicContact CG1-CE2 4.26Å; V524-F528 WeakPolarHBondContact O-CD2 3.37Å; V524-F528 PolarHBondContact O-N 2.94Å; V524-I539 HydrophobicContact CG1-CD1 3.89Å; V524-I539 HydrophobicContact CG1-CG1 4.06Å; V524-I637 HydrophobicContact CG2-CD1 4.36Å; V524-I637 HydrophobicContact CG2-CG1 4.48Å; V524-I637 HydrophobicContact CG2-CG2 3.72Å |
| 525 | G | 91.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.7 | -31.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S488 D490 G523 F528 K529 | S488-G525 VanDerWaalsContact O-CA 3.27Å; S488-G525 WeakPolarHBondContact O-CA 3.45Å; D490-G525 PolarHBondContact OD1-N 3.17Å; G523-G525 VanDerWaalsContact C-N 3.34Å; G525-F528 PolarHBondContact O-N 2.95Å; G525-K529 WeakPolarHBondContact O-CG 3.37Å; G525-K529 PolarHBondContact O-N 3.28Å |
| 526 | D | 92.6 | Very high | 92.6 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.7 | -31.7 | 176.5 | -61.9 | -47.3 | 0 | 0 | 0 | 112.1 | G523 V524 F528 K529 K530 | G523-D526 PolarHBondContact O-N 3Å; V524-D526 VanDerWaalsContact C-N 3.28Å; V524-D526 PolarHBondContact O-N 3.4Å; D526-F528 VanDerWaalsContact C-N 3.28Å; D526-F528 PolarHBondContact O-N 2.85Å; D526-K529 PolarHBondContact O-N 2.93Å; D526-K529 WeakPolarHBondContact OD1-CD 3.48Å; D526-K529 WeakPolarHBondContact OD1-CE 3.34Å; D526-K529 IonicContact OD1-NZ 3.37Å; D526-K529 PolarHBondContact OD1-NZ 3.38Å; D526-K530 PolarHBondContact O-N 3.48Å |
| 527 | S | 92.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -36.2 | 171.6 | 80.2 | 0 | 0 | 0 | 0 | 112.7 | G523 V524 K530 Y531 S558 F560 | G523-S527 PolarHBondContact O-N 3.25Å; G523-S527 VanDerWaalsContact O-N 3.12Å; V524-S527 WeakPolarHBondContact O-CB 3.35Å; V524-S527 PolarHBondContact O-N 2.9Å; V524-S527 VanDerWaalsContact O-N 3.15Å; V524-S527 PolarHBondContact O-OG 2.86Å; S527-K530 PolarHBondContact O-N 2.97Å; S527-Y531 PolarHBondContact O-N 3.33Å; S527-S558 WeakPolarHBondContact OG-CB 3.33Å; S527-S558 PolarHBondContact OG-OG 2.86Å; S527-F560 WeakPolarHBondContact O-CZ 3.17Å |
| 528 | F | 90.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 25% | 0.25 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.6 | -39.6 | 175 | -79.9 | -101.6 | 0 | 0 | 0 | 112.3 | Y487 V524 G525 D526 K530 Y531 S536 I539 F560 | Y487-F528 WeakPolarHBondContact O-CE2 3.4Å; Y487-F528 VanDerWaalsContact O-CZ 3.32Å; Y487-F528 WeakPolarHBondContact O-CZ 3.48Å; V524-F528 HydrophobicContact CG1-CE2 4.26Å; V524-F528 WeakPolarHBondContact O-CD2 3.37Å; V524-F528 PolarHBondContact O-N 2.94Å; G525-F528 PolarHBondContact O-N 2.95Å; D526-F528 VanDerWaalsContact C-N 3.28Å; D526-F528 PolarHBondContact O-N 2.85Å; F528-K530 PolarHBondContact O-N 3.43Å; F528-Y531 CarbonylContact O-C 3.47Å; F528-Y531 PolarHBondContact O-N 3.44Å; F528-S536 WeakPolarHBondContact CZ-OG 3.34Å; F528-I539 HydrophobicContact CE2-CD1 4.27Å; F528-F560 HydrophobicContact CB-CZ 4.46Å; F528-F560 AromaticContact CD1-CE1 3.78Å; F528-F560 HydrophobicContact CD1-CE1 3.78Å; F528-F560 HydrophobicContact CD1-CZ 4.24Å; F528-F560 HydrophobicContact CD2-CE1 4.22Å; F528-F560 AromaticContact CD2-CZ 3.85Å; F528-F560 HydrophobicContact CD2-CZ 3.85Å; F528-F560 AromaticContact CE1-CE1 3.95Å; F528-F560 HydrophobicContact CE1-CE1 3.95Å; F528-F560 HydrophobicContact CE1-CZ 4.48Å; F528-F560 HydrophobicContact CE2-CE1 4.36Å; F528-F560 HydrophobicContact CE2-CZ 4.11Å; F528-F560 AromaticContact CG-CE1 3.94Å; F528-F560 HydrophobicContact CG-CE1 3.94Å; F528-F560 AromaticContact CG-CZ 3.92Å; F528-F560 HydrophobicContact CG-CZ 3.92Å; F528-F560 HydrophobicContact CZ-CE1 4.24Å; F528-F560 HydrophobicContact CZ-CZ 4.42Å |
| 529 | K | 91.6 | Very high | 92.4 | Very high | 152 Ų | 152 | 54.6 Ų | 54.6 | 66% | 0.661 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.5 | -28.5 | 174.1 | -63.8 | 169.5 | -157.6 | 164.5 | 0 | 112.7 | G525 D526 | G525-K529 WeakPolarHBondContact O-CG 3.37Å; G525-K529 PolarHBondContact O-N 3.28Å; D526-K529 PolarHBondContact O-N 2.93Å; D526-K529 WeakPolarHBondContact OD1-CD 3.48Å; D526-K529 WeakPolarHBondContact OD1-CE 3.34Å; D526-K529 IonicContact OD1-NZ 3.37Å; D526-K529 PolarHBondContact OD1-NZ 3.38Å |
| 530 | K | 90.7 | Very high | 92.4 | Very high | 112 Ų | 112 | 56.4 Ų | 56.4 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -75.9 | -25.4 | 178.5 | -164.9 | -178.1 | -179.5 | -164.9 | 0 | 113.2 | D526 S527 F528 E635 | D526-K530 PolarHBondContact O-N 3.48Å; S527-K530 PolarHBondContact O-N 2.97Å; F528-K530 PolarHBondContact O-N 3.43Å; K530-E635 HydrophobicContact CD-CG 4.38Å; K530-E635 WeakPolarHBondContact CD-OE2 3.33Å; K530-E635 IonicContact NZ-OE1 2.67Å; K530-E635 PolarHBondContact NZ-OE1 3.41Å; K530-E635 IonicContact NZ-OE2 3.92Å; K530-E635 PolarHBondContact NZ-OE2 3.18Å |
| 531 | Y | 88.8 | Confident | 92.4 | Very high | 38 Ų | 38 | 53.5 Ų | 53.5 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | trans | -134.4 | 59.6 | -177.4 | -61.5 | -67.2 | 0 | 0 | 0 | 112.7 | S527 F528 D533 Y534 F560 M633 E635 | S527-Y531 PolarHBondContact O-N 3.33Å; F528-Y531 CarbonylContact O-C 3.47Å; F528-Y531 PolarHBondContact O-N 3.44Å; Y531-D533 VanDerWaalsContact C-N 3.28Å; Y531-D533 PolarHBondContact O-N 3Å; Y531-Y534 HydrophobicContact CD1-CD2 4.05Å; Y531-Y534 AromaticContact CD1-CE2 3.99Å; Y531-Y534 HydrophobicContact CD1-CE2 3.99Å; Y531-Y534 HydrophobicContact CD1-CG 4.43Å; Y531-Y534 HydrophobicContact CG-CD2 4.47Å; Y531-Y534 PolarHBondContact O-N 3.48Å; Y531-F560 AromaticContact CD2-CD2 3.88Å; Y531-F560 HydrophobicContact CD2-CD2 3.88Å; Y531-F560 HydrophobicContact CD2-CE2 4.12Å; Y531-F560 HydrophobicContact CD2-CG 4.46Å; Y531-F560 HydrophobicContact CG-CD2 4.39Å; Y531-M633 HydrophobicContact CD1-CB 4.34Å; Y531-M633 HydrophobicContact CD1-CG 3.92Å; Y531-M633 HydrophobicContact CD2-CB 4.37Å; Y531-M633 HydrophobicContact CE1-CB 4.1Å; Y531-M633 HydrophobicContact CE1-CE 3.99Å; Y531-M633 HydrophobicContact CE1-CG 3.61Å; Y531-M633 HydrophobicContact CE1-SD 4.08Å; Y531-M633 HydrophobicContact CE2-CB 4.1Å; Y531-M633 HydrophobicContact CG-CB 4.49Å; Y531-E635 HydrophobicContact CD2-CG 4.28Å; Y531-E635 HydrophobicContact CE2-CG 3.69Å; Y531-E635 WeakPolarHBondContact CE2-OE1 3.35Å; Y531-E635 PolarHBondContact OH-OE1 2.86Å | ||
| 532 | P | 86.1 | Confident | 92.4 | Very high | 94 Ų | 94 | 55.7 Ų | 55.7 | 61% | 0.61 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -32.4 | -175.9 | 27.1 | -34.4 | 0 | 0 | 0 | 112.9 | Y534 | P532-Y534 VanDerWaalsContact C-N 3.3Å; P532-Y534 PolarHBondContact O-N 3.4Å |
| 533 | D | 87.9 | Confident | 92.6 | Very high | 133 Ų | 133 | 50.6 Ų | 50.6 | 71% | 0.711 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 17.2 | -177.3 | -44.1 | -68.6 | 0 | 0 | 0 | 113.7 | Y531 T562 | Y531-D533 VanDerWaalsContact C-N 3.28Å; Y531-D533 PolarHBondContact O-N 3Å; D533-T562 PolarHBondContact O-OG1 2.75Å |
| 534 | Y | 90.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 18% | 0.184 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -121.7 | 139.7 | -178.5 | -67.2 | -122.4 | 0 | 0 | 0 | 111.4 | Y531 P532 S536 F560 T562 M633 | Y531-Y534 HydrophobicContact CD1-CD2 4.05Å; Y531-Y534 AromaticContact CD1-CE2 3.99Å; Y531-Y534 HydrophobicContact CD1-CE2 3.99Å; Y531-Y534 HydrophobicContact CD1-CG 4.43Å; Y531-Y534 HydrophobicContact CG-CD2 4.47Å; Y531-Y534 PolarHBondContact O-N 3.48Å; P532-Y534 VanDerWaalsContact C-N 3.3Å; P532-Y534 PolarHBondContact O-N 3.4Å; Y534-S536 PolarHBondContact O-N 3.47Å; Y534-F560 HydrophobicContact CD1-CB 4.29Å; Y534-F560 HydrophobicContact CG-CB 4.35Å; Y534-T562 HydrophobicContact CD1-CG2 3.67Å; Y534-T562 HydrophobicContact CD2-CG2 4.39Å; Y534-T562 HydrophobicContact CE1-CG2 3.36Å; Y534-T562 HydrophobicContact CE2-CG2 4.13Å; Y534-T562 HydrophobicContact CG-CG2 4.16Å; Y534-M633 HydrophobicContact CD1-CG 3.96Å; Y534-M633 HydrophobicContact CE1-CE 3.97Å; Y534-M633 HydrophobicContact CE1-CG 3.5Å; Y534-M633 VanDerWaalsContact OH-CE 3.27Å; Y534-M633 WeakPolarHBondContact OH-CE 3.22Å |
| 535 | E | 90.4 | Very high | 93 | Very high | 122 Ų | 122 | 50.5 Ų | 50.5 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 115.7 | 176.5 | -163.3 | -151.5 | 140.1 | 0 | 0 | 110.4 | K537 F560 E561 | E535-K537 PolarHBondContact O-N 2.83Å; E535-K537 IonicContact OE1-NZ 2.73Å; E535-K537 PolarHBondContact OE1-NZ 3.42Å; E535-K537 IonicContact OE2-NZ 2.65Å; E535-K537 PolarHBondContact OE2-NZ 3.39Å; E535-F560 WeakPolarHBondContact O-CA 3.45Å; E535-E561 WeakPolarHBondContact CB-O 3.38Å; E535-E561 PolarHBondContact N-O 3.43Å; E535-E561 PolarHBondContact O-N 2.93Å |
| 536 | S | 91.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 130.4 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | F528 Y534 G538 | F528-S536 WeakPolarHBondContact CZ-OG 3.34Å; Y534-S536 PolarHBondContact O-N 3.47Å; S536-G538 VanDerWaalsContact C-N 3.33Å; S536-G538 PolarHBondContact OG-N 3.06Å |
| 537 | K | 94.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 51.7 Ų | 51.7 | 21% | 0.213 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 23.7 | 172.6 | -53.5 | -59 | 176.3 | 177.9 | 0 | 112.2 | T483 E535 K540 V559 E561 | T483-K537 WeakPolarHBondContact CG2-O 3.46Å; E535-K537 PolarHBondContact O-N 2.83Å; E535-K537 IonicContact OE1-NZ 2.73Å; E535-K537 PolarHBondContact OE1-NZ 3.42Å; E535-K537 IonicContact OE2-NZ 2.65Å; E535-K537 PolarHBondContact OE2-NZ 3.39Å; K537-K540 WeakPolarHBondContact O-CE 3.33Å; K537-V559 HydrophobicContact CB-CB 4.21Å; K537-V559 HydrophobicContact CB-CG1 4.02Å; K537-V559 HydrophobicContact CG-CG1 4.41Å; K537-V559 PolarHBondContact N-O 2.97Å; K537-E561 VanDerWaalsContact CE-CD 3.49Å; K537-E561 WeakPolarHBondContact CE-OE2 3.35Å; K537-E561 HydrophobicContact CG-CB 4.35Å; K537-E561 HydrophobicContact CG-CG 3.92Å; K537-E561 IonicContact NZ-OE2 3.39Å |
| 538 | G | 93.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | 169.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F484 S536 V559 | F484-G538 WeakPolarHBondContact O-CA 3.4Å; S536-G538 VanDerWaalsContact C-N 3.33Å; S536-G538 PolarHBondContact OG-N 3.06Å; G538-V559 PolarHBondContact O-N 3.24Å |
| 539 | I | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.1 | 175.7 | -48.7 | -54.3 | 0 | 0 | 0 | 108.6 | T483 F484 F491 L521 V524 F528 V556 E557 S558 | T483-I539 CarbonylContact C-O 3.59Å; T483-I539 WeakPolarHBondContact CA-O 3.46Å; F484-I539 HydrophobicContact CB-CB 4.42Å; F484-I539 PolarHBondContact N-O 2.9Å; F484-I539 PolarHBondContact O-N 3.13Å; F491-I539 HydrophobicContact CE1-CB 4.43Å; F491-I539 HydrophobicContact CE1-CG1 4.2Å; L521-I539 HydrophobicContact CD1-CG2 4.13Å; V524-I539 HydrophobicContact CG1-CD1 3.89Å; V524-I539 HydrophobicContact CG1-CG1 4.06Å; F528-I539 HydrophobicContact CE2-CD1 4.27Å; I539-V556 HydrophobicContact CG2-CG1 3.46Å; I539-V556 VanDerWaalsContact CG2-CG1 3.46Å; I539-E557 CarbonylContact C-O 3.55Å; I539-S558 WeakPolarHBondContact CD1-OG 3.47Å |
| 540 | K | 96.9 | Very high | 94.3 | Very high | 38 Ų | 38 | 43 Ų | 43 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 112.8 | -172 | -64.6 | 179.6 | -167.9 | 175.8 | 0 | 110.6 | V481 I482 T483 K537 H542 V556 E557 V559 | V481-K540 HydrophobicContact CG1-CB 3.85Å; V481-K540 HydrophobicContact CG1-CG 4.35Å; I482-K540 WeakPolarHBondContact O-CA 3.31Å; T483-K540 HydrophobicContact CG2-CG 3.96Å; K537-K540 WeakPolarHBondContact O-CE 3.33Å; K540-H542 PolarHBondContact O-CD2 3.29Å; K540-V556 CarbonylContact O-C 3.59Å; K540-V556 WeakPolarHBondContact O-CA 3.23Å; K540-E557 HydrophobicContact CB-CG 3.87Å; K540-E557 PolarHBondContact N-O 3.42Å; K540-E557 PolarHBondContact O-N 3Å; K540-V559 HydrophobicContact CD-CG2 3.82Å; K540-V559 HydrophobicContact CG-CG2 4.46Å |
| 541 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | V481 I482 F484 F493 F543 L553 V556 | V481-A541 VanDerWaalsContact CA-O 3.31Å; V481-A541 WeakPolarHBondContact CA-O 3.26Å; I482-A541 PolarHBondContact N-O 2.89Å; I482-A541 PolarHBondContact O-N 3.35Å; F484-A541 HydrophobicContact CE2-CB 3.84Å; F493-A541 HydrophobicContact CE1-CB 4.33Å; F493-A541 HydrophobicContact CZ-CB 3.95Å; A541-F543 HydrophobicContact CB-CD2 4.38Å; A541-F543 HydrophobicContact CB-CE2 3.51Å; A541-F543 HydrophobicContact CB-CZ 3.7Å; A541-L553 HydrophobicContact CB-CD1 3.82Å; A541-V556 HydrophobicContact CB-CG2 4.05Å |
| 542 | H | 97.8 | Very high | 95 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 106.2 | -178.1 | -68.1 | -101.5 | 0 | 0 | 0 | 110.3 | V481 K540 L553 D554 R555 E557 | V481-H542 WeakPolarHBondContact CG2-CE1 3.24Å; V481-H542 WeakPolarHBondContact CG2-ND1 3.48Å; K540-H542 PolarHBondContact O-CD2 3.29Å; H542-L553 CarbonylContact O-C 3.54Å; H542-D554 HydrophobicContact CB-CB 4.44Å; H542-D554 PolarHBondContact O-N 3.03Å; H542-R555 HydrophobicContact CB-CG 4.29Å; H542-R555 PolarHBondContact N-O 3.34Å; H542-R555 PolarHBondContact NE2-NH2 3.46Å; H542-E557 IonicContact CD2-OE2 2.72Å; H542-E557 IonicContact NE2-OE2 2.96Å |
| 543 | F | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 141.7 | 178.9 | -55.4 | -89.8 | 0 | 0 | 0 | 110.8 | V447 L469 F470 R479 K480 I482 F493 I495 A541 L551 S552 L553 | V447-F543 HydrophobicContact CG2-CE1 4.2Å; V447-F543 HydrophobicContact CG2-CE2 4.23Å; V447-F543 HydrophobicContact CG2-CZ 3.73Å; L469-F543 HydrophobicContact CD1-CB 4.14Å; L469-F543 HydrophobicContact CD1-CD1 3.67Å; L469-F543 HydrophobicContact CD1-CD2 3.94Å; L469-F543 HydrophobicContact CD1-CE1 3.98Å; L469-F543 HydrophobicContact CD1-CE2 4.23Å; L469-F543 HydrophobicContact CD1-CG 3.63Å; L469-F543 HydrophobicContact CD1-CZ 4.25Å; L469-F543 HydrophobicContact CD2-CB 4.43Å; L469-F543 HydrophobicContact CD2-CD2 3.54Å; L469-F543 HydrophobicContact CD2-CE2 3.91Å; L469-F543 HydrophobicContact CD2-CG 4.01Å; L469-F543 HydrophobicContact CG-CD2 4.42Å; F470-F543 HydrophobicContact CE2-CB 4.36Å; F470-F543 HydrophobicContact CZ-CB 4.3Å; R479-F543 CarbonylContact C-O 3.47Å; R479-F543 WeakPolarHBondContact CA-O 3.42Å; K480-F543 PolarHBondContact N-O 2.91Å; K480-F543 PolarHBondContact O-N 2.93Å; I482-F543 HydrophobicContact CB-CE2 4.04Å; I482-F543 HydrophobicContact CG1-CD2 4.29Å; I482-F543 HydrophobicContact CG1-CE2 3.83Å; F493-F543 HydrophobicContact CE2-CE1 4.12Å; F493-F543 AromaticContact CE2-CZ 3.68Å; F493-F543 HydrophobicContact CE2-CZ 3.68Å; F493-F543 HydrophobicContact CZ-CE1 4.44Å; F493-F543 AromaticContact CZ-CZ 3.88Å; F493-F543 HydrophobicContact CZ-CZ 3.88Å; I495-F543 HydrophobicContact CD1-CD1 4.41Å; I495-F543 HydrophobicContact CD1-CE1 3.77Å; I495-F543 HydrophobicContact CG1-CE1 4.24Å; A541-F543 HydrophobicContact CB-CD2 4.38Å; A541-F543 HydrophobicContact CB-CE2 3.51Å; A541-F543 HydrophobicContact CB-CZ 3.7Å; F543-L551 HydrophobicContact CB-CD1 4.49Å; F543-S552 WeakPolarHBondContact CA-O 3.47Å; F543-L553 HydrophobicContact CD1-CB 4.35Å; F543-L553 HydrophobicContact CD1-CD1 4.03Å; F543-L553 HydrophobicContact CE1-CB 4.41Å; F543-L553 HydrophobicContact CE1-CD1 3.85Å; F543-L553 HydrophobicContact CG-CD1 4.47Å; F543-L553 HydrophobicContact CZ-CD1 4.13Å |
| 544 | N | 97.8 | Very high | 95.9 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 10% | 0.096 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 130.6 | 173.8 | 173.8 | 90.3 | 0 | 0 | 0 | 108.5 | R479 S552 D554 | R479-N544 HydrophobicContact CG-CB 3.95Å; R479-N544 WeakPolarHBondContact CG-OD1 3.48Å; R479-N544 PolarHBondContact NE-OD1 3.48Å; N544-S552 WeakPolarHBondContact CB-OG 3.48Å; N544-S552 PolarHBondContact N-O 2.74Å; N544-S552 PolarHBondContact O-N 3.21Å; N544-S552 PolarHBondContact O-OG 2.71Å; N544-D554 WeakPolarHBondContact CB-OD1 3.16Å; N544-D554 WeakPolarHBondContact CB-OD2 3.04Å |
| 545 | L | 97.7 | Very high | 96.2 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 108.8 | 165 | -168.9 | 73.6 | 0 | 0 | 0 | 105.6 | V441 I445 F470 Y476 P477 Q478 G549 L551 | V441-L545 HydrophobicContact CG2-CD2 3.41Å; V441-L545 VanDerWaalsContact CG2-CD2 3.41Å; I445-L545 HydrophobicContact CD1-CD1 4.39Å; F470-L545 HydrophobicContact CB-CD2 4.33Å; F470-L545 HydrophobicContact CD1-CB 4.2Å; F470-L545 HydrophobicContact CD1-CD2 4.27Å; F470-L545 HydrophobicContact CD2-CB 4.22Å; F470-L545 HydrophobicContact CD2-CD2 4.37Å; F470-L545 HydrophobicContact CE1-CB 3.93Å; F470-L545 HydrophobicContact CE2-CB 3.95Å; F470-L545 HydrophobicContact CG-CB 4.36Å; F470-L545 HydrophobicContact CG-CD2 4.04Å; F470-L545 HydrophobicContact CZ-CB 3.8Å; Y476-L545 HydrophobicContact CG-CD2 4.28Å; P477-L545 CarbonylContact C-O 3.58Å; P477-L545 VanDerWaalsContact CA-O 3.25Å; P477-L545 WeakPolarHBondContact CA-O 3.2Å; P477-L545 WeakPolarHBondContact CB-O 3.34Å; Q478-L545 PolarHBondContact N-O 3.18Å; Q478-L545 PolarHBondContact O-N 3.36Å; L545-G549 WeakPolarHBondContact CD1-O 3.47Å; L545-L551 HydrophobicContact CD1-CB 4.29Å |
| 546 | D | 96.9 | Very high | 96.5 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | trans | -75.9 | -178.3 | -168.2 | 81.1 | -18.7 | 0 | 0 | 0 | 113.1 | Y476 S548 G549 V550 | Y476-D546 VanDerWaalsContact CD2-O 3.29Å; Y476-D546 WeakPolarHBondContact CD2-O 3.21Å; D546-S548 VanDerWaalsContact CG-N 3.33Å; D546-S548 PolarHBondContact O-N 3.04Å; D546-S548 VanDerWaalsContact OD1-CA 3.26Å; D546-S548 WeakPolarHBondContact OD1-CA 3.5Å; D546-S548 VanDerWaalsContact OD1-CB 3.23Å; D546-S548 WeakPolarHBondContact OD1-CB 3.39Å; D546-S548 PolarHBondContact OD1-N 3Å; D546-S548 WeakPolarHBondContact OD2-CB 3.36Å; D546-S548 PolarHBondContact OD2-OG 3.39Å; D546-G549 PolarHBondContact O-N 2.84Å; D546-G549 VanDerWaalsContact O-N 3.07Å; D546-G549 PolarHBondContact OD1-N 2.77Å; D546-V550 PolarHBondContact N-O 2.92Å; D546-V550 VanDerWaalsContact N-O 3.07Å; D546-V550 WeakPolarHBondContact OD1-CA 3.33Å; D546-V550 PolarHBondContact OD1-N 3.22Å | ||
| 547 | E | 95.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 28.5 Ų | 28.5 | 40% | 0.402 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.6 | 174.5 | -70.5 | 70.6 | -161.7 | 0 | 0 | 112.6 | Q201 P477 G549 | Q201-E547 HydrophobicContact CG-CB 3.96Å; Q201-E547 WeakPolarHBondContact CG-O 3.49Å; Q201-E547 PolarHBondContact NE2-O 3.42Å; P477-E547 HydrophobicContact CG-CG 4.14Å; E547-G549 VanDerWaalsContact C-N 3.33Å |
| 548 | S | 97.9 | Very high | 96.8 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.5 | 177.6 | -51.3 | 0 | 0 | 0 | 0 | 113.8 | R185 L202 D546 V550 | R185-S548 PolarHBondContact NH1-O 3.49Å; L202-S548 PolarHBondContact N-OG 3.02Å; L202-S548 VanDerWaalsContact N-OG 3.1Å; L202-S548 WeakPolarHBondContact O-CA 3.45Å; D546-S548 VanDerWaalsContact CG-N 3.33Å; D546-S548 PolarHBondContact O-N 3.04Å; D546-S548 VanDerWaalsContact OD1-CA 3.26Å; D546-S548 WeakPolarHBondContact OD1-CA 3.5Å; D546-S548 VanDerWaalsContact OD1-CB 3.23Å; D546-S548 WeakPolarHBondContact OD1-CB 3.39Å; D546-S548 PolarHBondContact OD1-N 3Å; D546-S548 WeakPolarHBondContact OD2-CB 3.36Å; D546-S548 PolarHBondContact OD2-OG 3.39Å; S548-V550 VanDerWaalsContact C-N 3.31Å |
| 549 | G | 97.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 26 Ų | 26 | 6% | 0.062 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 73.9 | 21.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q182 Y476 L545 D546 E547 | Q182-G549 PolarHBondContact NE2-O 3.06Å; Y476-G549 VanDerWaalsContact CE2-CA 3.47Å; Y476-G549 VanDerWaalsContact CE2-N 3.34Å; L545-G549 WeakPolarHBondContact CD1-O 3.47Å; D546-G549 PolarHBondContact O-N 2.84Å; D546-G549 VanDerWaalsContact O-N 3.07Å; D546-G549 PolarHBondContact OD1-N 2.77Å; E547-G549 VanDerWaalsContact C-N 3.33Å |
| 550 | V | 97.4 | Very high | 96.7 | Very high | 20 Ų | 20 | 26 Ų | 26 | 12% | 0.121 | 13% | 0.131 | C | C | . | . | trans | -99.4 | 137.1 | 180 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | R185 L189 D546 S548 | R185-V550 HydrophobicContact CB-CG2 3.95Å; L189-V550 HydrophobicContact CD1-CG2 4.21Å; D546-V550 PolarHBondContact N-O 2.92Å; D546-V550 VanDerWaalsContact N-O 3.07Å; D546-V550 WeakPolarHBondContact OD1-CA 3.33Å; D546-V550 PolarHBondContact OD1-N 3.22Å; S548-V550 VanDerWaalsContact C-N 3.31Å | ||
| 551 | L | 97.5 | Very high | 96.5 | Very high | 33 Ų | 33 | 26.2 Ų | 26.2 | 17% | 0.173 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.6 | -176.8 | -179.1 | 70.9 | 0 | 0 | 0 | 112.1 | I445 F470 I495 L516 F543 L545 | I445-L551 HydrophobicContact CD1-CB 4.45Å; I445-L551 HydrophobicContact CD1-CD2 4.35Å; I445-L551 HydrophobicContact CG2-CD2 4.11Å; F470-L551 HydrophobicContact CD2-CD1 4.24Å; F470-L551 HydrophobicContact CE2-CD1 3.59Å; I495-L551 HydrophobicContact CD1-CD2 4.31Å; I495-L551 HydrophobicContact CG2-CD2 3.65Å; L516-L551 HydrophobicContact CD1-CD2 4.31Å; F543-L551 HydrophobicContact CB-CD1 4.49Å; L545-L551 HydrophobicContact CD1-CB 4.29Å |
| 552 | S | 96.3 | Very high | 96.1 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 30% | 0.301 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 148.8 | 163.1 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | F543 N544 D554 | F543-S552 WeakPolarHBondContact CA-O 3.47Å; N544-S552 WeakPolarHBondContact CB-OG 3.48Å; N544-S552 PolarHBondContact N-O 2.74Å; N544-S552 PolarHBondContact O-N 3.21Å; N544-S552 PolarHBondContact O-OG 2.71Å; S552-D554 WeakPolarHBondContact CB-OD1 3.36Å; S552-D554 PolarHBondContact OG-OD1 2.91Å |
| 553 | L | 97 | Very high | 95.5 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 99 | 158.8 | 172.7 | 59 | 0 | 0 | 0 | 106.6 | F493 V519 A541 H542 F543 R555 V556 V639 L641 | F493-L553 HydrophobicContact CZ-CD2 4.16Å; V519-L553 HydrophobicContact CG1-CD2 3.69Å; V519-L553 HydrophobicContact CG2-CD2 3.99Å; A541-L553 HydrophobicContact CB-CD1 3.82Å; H542-L553 CarbonylContact O-C 3.54Å; F543-L553 HydrophobicContact CD1-CB 4.35Å; F543-L553 HydrophobicContact CD1-CD1 4.03Å; F543-L553 HydrophobicContact CE1-CB 4.41Å; F543-L553 HydrophobicContact CE1-CD1 3.85Å; F543-L553 HydrophobicContact CG-CD1 4.47Å; F543-L553 HydrophobicContact CZ-CD1 4.13Å; L553-R555 PolarHBondContact O-N 2.98Å; L553-V556 HydrophobicContact CD1-CG2 4.01Å; L553-V556 HydrophobicContact CD2-CG2 3.94Å; L553-V556 HydrophobicContact CG-CG2 4.26Å; L553-V639 HydrophobicContact CD2-CG1 4.2Å; L553-L641 HydrophobicContact CD2-CD2 4.17Å |
| 554 | D | 95.9 | Very high | 94.5 | Very high | 68 Ų | 68 | 33.9 Ų | 33.9 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -37.9 | -169 | -63.7 | -5.8 | 0 | 0 | 0 | 112.3 | H542 N544 S552 | H542-D554 HydrophobicContact CB-CB 4.44Å; H542-D554 PolarHBondContact O-N 3.03Å; N544-D554 WeakPolarHBondContact CB-OD1 3.16Å; N544-D554 WeakPolarHBondContact CB-OD2 3.04Å; S552-D554 WeakPolarHBondContact CB-OD1 3.36Å; S552-D554 PolarHBondContact OG-OD1 2.91Å |
| 555 | R | 95.5 | Very high | 92.5 | Very high | 93 Ų | 93 | 41 Ų | 41 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | 171.3 | 171.4 | 65.7 | 176.9 | -175.1 | -75.5 | -4.3 | 111.6 | H542 L553 E557 E636 | H542-R555 HydrophobicContact CB-CG 4.29Å; H542-R555 PolarHBondContact N-O 3.34Å; H542-R555 PolarHBondContact NE2-NH2 3.46Å; L553-R555 PolarHBondContact O-N 2.98Å; R555-E557 IonicContact CZ-OE2 2.79Å; R555-E557 VanDerWaalsContact CZ-OE2 3.3Å; R555-E557 IonicContact NE-OE2 2.66Å; R555-E557 PolarHBondContact NE-OE2 3.44Å; R555-E557 IonicContact NH2-OE2 2.65Å; R555-E557 PolarHBondContact NH2-OE2 2.9Å; R555-E636 WeakPolarHBondContact CB-OE1 3.34Å |
| 556 | V | 97.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.3 | 166.7 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | L521 I539 K540 A541 L553 I637 V639 | L521-V556 HydrophobicContact CD1-CG1 4.04Å; L521-V556 HydrophobicContact CD2-CB 4.19Å; L521-V556 HydrophobicContact CD2-CG1 4.01Å; L521-V556 HydrophobicContact CD2-CG2 3.89Å; I539-V556 HydrophobicContact CG2-CG1 3.46Å; I539-V556 VanDerWaalsContact CG2-CG1 3.46Å; K540-V556 CarbonylContact O-C 3.59Å; K540-V556 WeakPolarHBondContact O-CA 3.23Å; A541-V556 HydrophobicContact CB-CG2 4.05Å; L553-V556 HydrophobicContact CD1-CG2 4.01Å; L553-V556 HydrophobicContact CD2-CG2 3.94Å; L553-V556 HydrophobicContact CG-CG2 4.26Å; V556-I637 HydrophobicContact CB-CB 4.32Å; V556-I637 HydrophobicContact CG1-CB 4.11Å; V556-I637 HydrophobicContact CG1-CG2 4.38Å; V556-I637 PolarHBondContact O-N 3.36Å; V556-V639 HydrophobicContact CB-CG2 3.94Å; V556-V639 HydrophobicContact CG2-CG2 3.66Å |
| 557 | E | 96.8 | Very high | 87.4 | Confident | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.7 | -177.9 | 67.2 | 179.9 | -123 | 0 | 0 | 112.5 | I539 K540 H542 R555 V559 R632 V634 E635 | I539-E557 CarbonylContact C-O 3.55Å; K540-E557 HydrophobicContact CB-CG 3.87Å; K540-E557 PolarHBondContact N-O 3.42Å; K540-E557 PolarHBondContact O-N 3Å; H542-E557 IonicContact CD2-OE2 2.72Å; H542-E557 IonicContact NE2-OE2 2.96Å; R555-E557 IonicContact CZ-OE2 2.79Å; R555-E557 VanDerWaalsContact CZ-OE2 3.3Å; R555-E557 IonicContact NE-OE2 2.66Å; R555-E557 PolarHBondContact NE-OE2 3.44Å; R555-E557 IonicContact NH2-OE2 2.65Å; R555-E557 PolarHBondContact NH2-OE2 2.9Å; E557-V559 HydrophobicContact CG-CG2 4Å; E557-V559 WeakPolarHBondContact OE1-CG2 3.45Å; E557-R632 IonicContact OE1-NH2 2.97Å; E557-R632 PolarHBondContact OE1-NH2 2.73Å; E557-V634 HydrophobicContact CB-CG1 3.67Å; E557-V634 HydrophobicContact CG-CG1 4.08Å; E557-E635 CarbonylContact C-O 3.39Å; E557-E635 VanDerWaalsContact CA-O 3.25Å; E557-E635 WeakPolarHBondContact CA-O 3.39Å |
| 558 | S | 95.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.6 | 167.8 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | S527 I539 F560 V634 E635 | S527-S558 WeakPolarHBondContact OG-CB 3.33Å; S527-S558 PolarHBondContact OG-OG 2.86Å; I539-S558 WeakPolarHBondContact CD1-OG 3.47Å; S558-F560 WeakPolarHBondContact OG-CE2 2.78Å; S558-F560 WeakPolarHBondContact OG-CZ 3.44Å; S558-V634 WeakPolarHBondContact O-CA 3.32Å; S558-E635 PolarHBondContact N-O 3.45Å; S558-E635 PolarHBondContact O-N 2.96Å |
| 559 | V | 94.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.5 | -174.3 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | K537 G538 K540 E557 R632 V634 | K537-V559 HydrophobicContact CB-CB 4.21Å; K537-V559 HydrophobicContact CB-CG1 4.02Å; K537-V559 HydrophobicContact CG-CG1 4.41Å; K537-V559 PolarHBondContact N-O 2.97Å; G538-V559 PolarHBondContact O-N 3.24Å; K540-V559 HydrophobicContact CD-CG2 3.82Å; K540-V559 HydrophobicContact CG-CG2 4.46Å; E557-V559 HydrophobicContact CG-CG2 4Å; E557-V559 WeakPolarHBondContact OE1-CG2 3.45Å; V559-R632 HydrophobicContact CG1-CG 3.97Å; V559-R632 VanDerWaalsContact CG1-NE 3.29Å; V559-V634 HydrophobicContact CG2-CG1 4.39Å; V559-V634 HydrophobicContact CG2-CG2 4.35Å |
| 560 | F | 93 | Very high | 79.4 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.5 | 177.9 | -58.3 | -91.6 | 0 | 0 | 0 | 110.7 | S527 F528 Y531 Y534 E535 S558 R632 M633 | S527-F560 WeakPolarHBondContact O-CZ 3.17Å; F528-F560 HydrophobicContact CB-CZ 4.46Å; F528-F560 AromaticContact CD1-CE1 3.78Å; F528-F560 HydrophobicContact CD1-CE1 3.78Å; F528-F560 HydrophobicContact CD1-CZ 4.24Å; F528-F560 HydrophobicContact CD2-CE1 4.22Å; F528-F560 AromaticContact CD2-CZ 3.85Å; F528-F560 HydrophobicContact CD2-CZ 3.85Å; F528-F560 AromaticContact CE1-CE1 3.95Å; F528-F560 HydrophobicContact CE1-CE1 3.95Å; F528-F560 HydrophobicContact CE1-CZ 4.48Å; F528-F560 HydrophobicContact CE2-CE1 4.36Å; F528-F560 HydrophobicContact CE2-CZ 4.11Å; F528-F560 AromaticContact CG-CE1 3.94Å; F528-F560 HydrophobicContact CG-CE1 3.94Å; F528-F560 AromaticContact CG-CZ 3.92Å; F528-F560 HydrophobicContact CG-CZ 3.92Å; F528-F560 HydrophobicContact CZ-CE1 4.24Å; F528-F560 HydrophobicContact CZ-CZ 4.42Å; Y531-F560 AromaticContact CD2-CD2 3.88Å; Y531-F560 HydrophobicContact CD2-CD2 3.88Å; Y531-F560 HydrophobicContact CD2-CE2 4.12Å; Y531-F560 HydrophobicContact CD2-CG 4.46Å; Y531-F560 HydrophobicContact CG-CD2 4.39Å; Y534-F560 HydrophobicContact CD1-CB 4.29Å; Y534-F560 HydrophobicContact CG-CB 4.35Å; E535-F560 WeakPolarHBondContact O-CA 3.45Å; S558-F560 WeakPolarHBondContact OG-CE2 2.78Å; S558-F560 WeakPolarHBondContact OG-CZ 3.44Å; F560-R632 CarbonylContact O-C 3.58Å; F560-R632 WeakPolarHBondContact O-CA 3.47Å; F560-M633 HydrophobicContact CB-CB 4.38Å; F560-M633 PolarHBondContact N-O 2.86Å; F560-M633 PolarHBondContact O-N 3.16Å |
| 561 | E | 92.6 | Very high | 76.5 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 20% | 0.201 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141 | 173 | -72.2 | 178.4 | -161.6 | 0 | 0 | 110.7 | E535 K537 K630 R631 R632 | E535-E561 WeakPolarHBondContact CB-O 3.38Å; E535-E561 PolarHBondContact N-O 3.43Å; E535-E561 PolarHBondContact O-N 2.93Å; K537-E561 VanDerWaalsContact CE-CD 3.49Å; K537-E561 WeakPolarHBondContact CE-OE2 3.35Å; K537-E561 HydrophobicContact CG-CB 4.35Å; K537-E561 HydrophobicContact CG-CG 3.92Å; K537-E561 IonicContact NZ-OE2 3.39Å; E561-K630 IonicContact OE2-NZ 3.42Å; E561-K630 PolarHBondContact OE2-NZ 3.5Å; E561-R631 WeakPolarHBondContact CA-O 3.36Å; E561-R632 HydrophobicContact CG-CB 4.27Å; E561-R632 HydrophobicContact CG-CG 4.37Å |
| 562 | T | 89.2 | Confident | 74.1 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 25% | 0.252 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 162.8 | 164.3 | -157.2 | 0 | 0 | 0 | 0 | 111 | D533 Y534 K630 R631 | D533-T562 PolarHBondContact O-OG1 2.75Å; Y534-T562 HydrophobicContact CD1-CG2 3.67Å; Y534-T562 HydrophobicContact CD2-CG2 4.39Å; Y534-T562 HydrophobicContact CE1-CG2 3.36Å; Y534-T562 HydrophobicContact CE2-CG2 4.13Å; Y534-T562 HydrophobicContact CG-CG2 4.16Å; T562-K630 WeakPolarHBondContact O-CA 3.32Å; T562-R631 HydrophobicContact CG2-CB 4.43Å; T562-R631 PolarHBondContact N-O 2.78Å; T562-R631 PolarHBondContact O-N 3.34Å |
| 563 | L | 84.4 | Confident | 71.7 | Confident | 118 Ų | 118 | 78.6 Ų | 78.6 | 62% | 0.618 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.1 | 173.8 | -64.4 | 175 | 0 | 0 | 0 | 109 | A628 K630 | L563-A628 HydrophobicContact CD2-CB 4.37Å; L563-K630 HydrophobicContact CD2-CG 3.97Å |
| 564 | V | 77.3 | Confident | 69.4 | Low | 53 Ų | 53 | 83.3 Ų | 83.3 | 32% | 0.321 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | R629 R631 | V564-R629 WeakPolarHBondContact CB-O 3.39Å; V564-R629 PolarHBondContact N-O 3.13Å; V564-R629 PolarHBondContact O-N 2.97Å; V564-R631 HydrophobicContact CG2-CB 3.66Å |
| 565 | E | 57 | Low | 67.3 | Low | 168 Ų | 168 | 83.7 Ų | 83.7 | 79% | 0.785 | 45% | 0.453 | S | S | * | . | trans | -81.1 | 140.2 | 163.2 | -60.7 | -166.2 | 142.7 | 0 | 0 | 108.8 | S567 | E565-S567 VanDerWaalsContact C-N 3.25Å; E565-S567 PolarHBondContact O-N 3.08Å | ||
| 566 | D | 47.7 | Very low | 64.8 | Low | 123 Ų | 123 | 85.1 Ų | 85.1 | 66% | 0.658 | 46% | 0.462 | S | S | * | . | trans | -74 | 71.6 | -175.9 | -72.7 | -35.3 | 0 | 0 | 0 | 111.8 | A568 | D566-A568 PolarHBondContact O-N 3.34Š| ||
| 567 | S | 39.1 | Very low | 62.4 | Low | 107 Ų | 107 | 90.4 Ų | 90.4 | 75% | 0.748 | 49% | 0.49 | S | S | * | . | trans | -74 | 112.3 | 163.3 | 61.4 | 0 | 0 | 0 | 0 | 109.4 | E565 E569 | E565-S567 VanDerWaalsContact C-N 3.25Å; E565-S567 PolarHBondContact O-N 3.08Å; S567-E569 PolarHBondContact O-N 3.27Å; S567-E569 VanDerWaalsContact O-N 3.08Å | ||
| 568 | A | 42.6 | Very low | 60.1 | Low | 98 Ų | 98 | 91.8 Ų | 91.8 | 81% | 0.81 | 51% | 0.506 | S | S | * | . | trans | -81.5 | 86.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D566 | D566-A568 PolarHBondContact O-N 3.34Š| ||
| 569 | E | 40.2 | Very low | 57.8 | Low | 186 Ų | 186 | 97.1 Ų | 97.1 | 87% | 0.869 | 54% | 0.535 | S | S | * | . | trans | -157.6 | 149.4 | 154 | -115.1 | 152.3 | -149.1 | 0 | 0 | 112.9 | S567 | S567-E569 PolarHBondContact O-N 3.27Å; S567-E569 VanDerWaalsContact O-N 3.08Å | ||
| 570 | E | 40 | Very low | 55.4 | Low | 189 Ų | 189 | 101.1 Ų | 101.1 | 88% | 0.883 | 56% | 0.559 | S | S | * | * | trans | 51.3 | 86.2 | 173 | -54 | -154.6 | 151.8 | 0 | 0 | 120.2 | S572 | E570-S572 PolarHBondContact O-N 3.22Š| ||
| 571 | E | 36.8 | Very low | 53.3 | Low | 141 Ų | 141 | 105.9 Ų | 105.9 | 66% | 0.659 | 58% | 0.584 | S | S | * | * | trans | -64.2 | 93.4 | 157.1 | -84.3 | -157.1 | 141.9 | 0 | 0 | 111.5 | T573 K576 | E571-T573 PolarHBondContact O-N 3.16Å; E571-K576 VanDerWaalsContact OE2-CE 3.24Å; E571-K576 WeakPolarHBondContact OE2-CE 3.44Å; E571-K576 IonicContact OE2-NZ 3.95Å; E571-K576 PolarHBondContact OE2-NZ 3.42Å | ||
| 572 | S | 46.7 | Very low | 50.9 | Low | 71 Ų | 71 | 108.5 Ų | 108.5 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | trans | -60.5 | 136.4 | 169.3 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | E570 L574 T575 | E570-S572 PolarHBondContact O-N 3.22Å; S572-L574 PolarHBondContact O-N 3.01Å; S572-L574 VanDerWaalsContact O-N 3.13Å; S572-T575 WeakPolarHBondContact O-CB 3.35Å; S572-T575 PolarHBondContact O-N 3.37Å; S572-T575 PolarHBondContact O-OG1 2.82Å | ||
| 573 | T | 45.9 | Very low | 48.6 | Very low | 110 Ų | 110 | 110.4 Ų | 110.4 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -25.7 | -172.1 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | E571 T575 K576 | E571-T573 PolarHBondContact O-N 3.16Å; T573-T575 PolarHBondContact O-N 3.31Å; T573-K576 PolarHBondContact O-N 2.92Å |
| 574 | L | 49.8 | Very low | 46.5 | Very low | 131 Ų | 131 | 111.3 Ų | 111.3 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -56 | -32.9 | 174 | -76.8 | 163.3 | 0 | 0 | 0 | 112.9 | S572 K576 L577 G578 | S572-L574 PolarHBondContact O-N 3.01Å; S572-L574 VanDerWaalsContact O-N 3.13Å; L574-K576 PolarHBondContact O-N 2.88Å; L574-L577 PolarHBondContact O-N 3.48Å; L574-L577 VanDerWaalsContact O-N 3.11Å; L574-G578 PolarHBondContact O-N 2.9Å |
| 575 | T | 51.4 | Low | 45 | Very low | 75 Ų | 75 | 117.5 Ų | 117.5 | 46% | 0.46 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.1 | -24.3 | 178.8 | -35.7 | 0 | 0 | 0 | 0 | 112.3 | S572 T573 N579 | S572-T575 WeakPolarHBondContact O-CB 3.35Å; S572-T575 PolarHBondContact O-N 3.37Å; S572-T575 PolarHBondContact O-OG1 2.82Å; T573-T575 PolarHBondContact O-N 3.31Å; T575-N579 PolarHBondContact O-ND2 3.09Å |
| 576 | K | 43.4 | Very low | 44 | Very low | 123 Ų | 123 | 112.6 Ų | 112.6 | 54% | 0.535 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -81.7 | -26.8 | 177.4 | -74.8 | 166.8 | -179.9 | 152 | 0 | 112.8 | E571 T573 L574 T580 | E571-K576 VanDerWaalsContact OE2-CE 3.24Å; E571-K576 WeakPolarHBondContact OE2-CE 3.44Å; E571-K576 IonicContact OE2-NZ 3.95Å; E571-K576 PolarHBondContact OE2-NZ 3.42Å; T573-K576 PolarHBondContact O-N 2.92Å; L574-K576 PolarHBondContact O-N 2.88Å; K576-T580 PolarHBondContact O-OG1 3.46Å |
| 577 | L | 47.1 | Very low | 43.2 | Very low | 113 Ų | 113 | 110.7 Ų | 110.7 | 59% | 0.592 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.2 | -42.9 | 174.2 | -88.8 | 85.3 | 0 | 0 | 0 | 113 | L574 N579 T580 I581 | L574-L577 PolarHBondContact O-N 3.48Å; L574-L577 VanDerWaalsContact O-N 3.11Å; L577-N579 VanDerWaalsContact C-N 3.25Å; L577-N579 PolarHBondContact O-N 3.15Å; L577-T580 PolarHBondContact O-N 3.18Å; L577-T580 VanDerWaalsContact O-N 3.13Å; L577-I581 PolarHBondContact O-N 3.44Å |
| 578 | G | 48.4 | Very low | 42.7 | Very low | 37 Ų | 37 | 109.1 Ų | 109.1 | 38% | 0.381 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -60.9 | -33.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L574 S582 | L574-G578 PolarHBondContact O-N 2.9Å; G578-S582 PolarHBondContact O-N 3.07Å; G578-S582 PolarHBondContact O-OG 3.29Å |
| 579 | N | 45.9 | Very low | 42.1 | Very low | 112 Ų | 112 | 111 Ų | 111 | 60% | 0.599 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.7 | -34.9 | 176.9 | -71.1 | -31.4 | 0 | 0 | 0 | 112.5 | T575 L577 S582 S583 | T575-N579 PolarHBondContact O-ND2 3.09Å; L577-N579 VanDerWaalsContact C-N 3.25Å; L577-N579 PolarHBondContact O-N 3.15Å; N579-S582 PolarHBondContact O-N 3Å; N579-S583 PolarHBondContact O-N 2.92Å |
| 580 | T | 44.9 | Very low | 41.6 | Very low | 84 Ų | 84 | 108.5 Ų | 108.5 | 52% | 0.515 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.3 | -33.5 | 177.4 | -32 | 0 | 0 | 0 | 0 | 112.5 | K576 L577 S582 S583 L584 | K576-T580 PolarHBondContact O-OG1 3.46Å; L577-T580 PolarHBondContact O-N 3.18Å; L577-T580 VanDerWaalsContact O-N 3.13Å; T580-S582 VanDerWaalsContact C-N 3.32Å; T580-S583 PolarHBondContact O-N 3.36Å; T580-S583 PolarHBondContact O-OG 3.41Å; T580-S583 VanDerWaalsContact O-OG 3.05Å; T580-L584 PolarHBondContact O-N 3.46Å |
| 581 | I | 48.4 | Very low | 41.7 | Very low | 101 Ų | 101 | 104.8 Ų | 104.8 | 52% | 0.518 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.1 | -36.9 | 173.9 | -63.3 | 169 | 0 | 0 | 0 | 110.2 | L577 S583 L584 F585 | L577-I581 PolarHBondContact O-N 3.44Å; I581-S583 VanDerWaalsContact C-N 3.27Å; I581-S583 PolarHBondContact O-N 3Å; I581-L584 PolarHBondContact O-N 2.92Å; I581-L584 VanDerWaalsContact O-N 3.16Å; I581-F585 HydrophobicContact CG2-CD2 4.5Å; I581-F585 HydrophobicContact CG2-CE2 4.16Å |
| 582 | S | 41.5 | Very low | 41.3 | Very low | 97 Ų | 97 | 106.1 Ų | 106.1 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65 | -26.5 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | G578 N579 T580 | G578-S582 PolarHBondContact O-N 3.07Å; G578-S582 PolarHBondContact O-OG 3.29Å; N579-S582 PolarHBondContact O-N 3Å; T580-S582 VanDerWaalsContact C-N 3.32Å |
| 583 | S | 41.6 | Very low | 40.4 | Very low | 82 Ų | 82 | 106.9 Ų | 106.9 | 57% | 0.573 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -88.6 | -19.7 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 114 | N579 T580 I581 F585 G586 | N579-S583 PolarHBondContact O-N 2.92Å; T580-S583 PolarHBondContact O-N 3.36Å; T580-S583 PolarHBondContact O-OG 3.41Å; T580-S583 VanDerWaalsContact O-OG 3.05Å; I581-S583 VanDerWaalsContact C-N 3.27Å; I581-S583 PolarHBondContact O-N 3Å; S583-F585 VanDerWaalsContact C-N 3.34Å; S583-F585 PolarHBondContact O-N 3.21Å; S583-G586 PolarHBondContact O-N 3.35Å |
| 584 | L | 40.9 | Very low | 39.5 | Very low | 137 Ų | 137 | 110.1 Ų | 110.1 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.2 | -21.6 | -174.7 | -141.7 | 80.8 | 0 | 0 | 0 | 114.3 | T580 I581 G586 | T580-L584 PolarHBondContact O-N 3.46Å; I581-L584 PolarHBondContact O-N 2.92Å; I581-L584 VanDerWaalsContact O-N 3.16Å; L584-G586 VanDerWaalsContact C-N 3.33Å |
| 585 | F | 45.2 | Very low | 38.3 | Very low | 182 Ų | 182 | 110 Ų | 110 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 1.4 | 178.5 | -77.4 | -83.1 | 0 | 0 | 0 | 114.2 | I581 S583 G587 | I581-F585 HydrophobicContact CG2-CD2 4.5Å; I581-F585 HydrophobicContact CG2-CE2 4.16Å; S583-F585 VanDerWaalsContact C-N 3.34Å; S583-F585 PolarHBondContact O-N 3.21Å; F585-G587 PolarHBondContact O-N 3.43Å |
| 586 | G | 37 | Very low | 37 | Very low | 66 Ų | 66 | 113.6 Ų | 113.6 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -82.1 | 82.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S583 L584 G588 | S583-G586 PolarHBondContact O-N 3.35Å; L584-G586 VanDerWaalsContact C-N 3.33Å; G586-G588 PolarHBondContact O-N 3Å |
| 587 | G | 30.6 | Very low | 36.1 | Very low | 82 Ų | 82 | 111.4 Ų | 111.4 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | trans | -60.6 | 123.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F585 | F585-G587 PolarHBondContact O-N 3.43Š| ||
| 588 | G | 28.4 | Very low | 34.9 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | -178.4 | 87.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G586 | G586-G588 PolarHBondContact O-N 3Š| ||
| 589 | T | 29.2 | Very low | 33.8 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | -114.8 | 114.3 | -172.7 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 590 | T | 30.7 | Very low | 32.8 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | trans | -145.2 | 136.1 | 150 | 43.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 591 | P | 42.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -84.7 | 154.3 | 176.3 | 36.1 | -34.9 | 0 | 0 | 0 | 111.7 | ||||
| 592 | D | 27.9 | Very low | 30.7 | Very low | 168 Ų | 168 | 123.6 Ų | 123.6 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | -174.7 | 172.5 | 105.7 | -105.8 | -32.9 | 0 | 0 | 0 | 111.2 | |||||
| 593 | A | 28.2 | Very low | 30 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -134.4 | 140.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 594 | K | 25.9 | Very low | 29.4 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | trans | -174.9 | 134.9 | 130.1 | -106.7 | 166.3 | 175 | -86.6 | 0 | 115.5 | ||||
| 595 | E | 24.1 | Very low | 28.7 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 60% | 0.603 | 77% | 0.773 | S | S | * | * | trans | 46 | 124.2 | 134.8 | -71.2 | -178.4 | 98.3 | 0 | 0 | 123.7 | ||||
| 596 | N | 23.8 | Very low | 27.8 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 73.4 | 132.9 | 138.2 | -57.1 | -24.5 | 0 | 0 | 0 | 120.1 | ||||
| 597 | G | 24.6 | Very low | 27.3 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 155.3 | 70.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 598 | T | 23.5 | Very low | 27.1 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | trans | -72.6 | 132.2 | 161 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 599 | D | 25.3 | Very low | 27 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | -165.1 | 176.5 | 112.5 | -119.8 | -42 | 0 | 0 | 0 | 115.5 | |||||
| 600 | T | 24.2 | Very low | 26.9 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | -100.7 | 164.6 | -165.6 | 39.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 601 | V | 24.9 | Very low | 26.7 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 92.7 | 152.8 | 140.5 | 143.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 602 | Q | 25.4 | Very low | 26.8 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 76.7 | 88 | 165.7 | -88.7 | 152.3 | 33.7 | 0 | 0 | 121.3 | ||||
| 603 | K | 25.8 | Very low | 26.9 | Very low | 177 Ų | 177 | 133 Ų | 133 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | -49.8 | 151.9 | 126.2 | -121.9 | -178.6 | -174.1 | -175.8 | 0 | 110.2 | |||||
| 604 | P | 28.9 | Very low | 27 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | -138.2 | 174.2 | 84.5 | 37.5 | -23.7 | 0 | 0 | 0 | 115.3 | |||||
| 605 | S | 25.7 | Very low | 27.2 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | -119.2 | 156.8 | -178.6 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 606 | E | 27.1 | Very low | 27.6 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | 169.9 | 156.6 | 151.2 | -94.4 | -170.6 | 163.9 | 0 | 0 | 106.5 | ||||
| 607 | K | 25.5 | Very low | 28.1 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | cis | -160.5 | 173.8 | -1.7 | -109.8 | 158.5 | 179.3 | 149.1 | 0 | 105.4 | ||||
| 608 | A | 26.3 | Very low | 28.3 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | cis | 179 | -178.4 | -32.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 609 | E | 27.5 | Very low | 28.9 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | 73.5 | 144 | 169.6 | -53.3 | -175.7 | 173.7 | 0 | 0 | 116.7 | ||||
| 610 | A | 26 | Very low | 29.3 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | cis | -139.1 | 168.9 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 611 | G | 27 | Very low | 30 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -103.2 | -141.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 612 | P | 45.3 | Very low | 30.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | cis | -144.5 | -171.8 | 3.6 | 44.3 | -25 | 0 | 0 | 0 | 117.1 | ||||
| 613 | E | 29.8 | Very low | 30.8 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | 77.1 | 145.9 | 148.3 | -84.8 | 171 | -143.7 | 0 | 0 | 124.2 | ||||
| 614 | G | 29.8 | Very low | 31.2 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 137.3 | 92.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 615 | V | 30.5 | Very low | 31.7 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -133.7 | 132.4 | -177.6 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 616 | A | 32.5 | Very low | 32.7 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -150.1 | 145.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 617 | P | 35.3 | Very low | 33.7 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -98 | 161.1 | -166.1 | 37.4 | -36.4 | 0 | 0 | 0 | 115.4 | ||||
| 618 | A | 28.9 | Very low | 35.3 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -133 | 151.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 619 | P | 35.3 | Very low | 37.4 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -78.6 | 164.7 | -167.5 | 31.6 | -36.7 | 0 | 0 | 0 | 114.8 | ||||
| 620 | E | 33.5 | Very low | 39.9 | Very low | 200 Ų | 200 | 138.3 Ų | 138.3 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | trans | -64 | 158.6 | 169.4 | -53.4 | 179.2 | 117.7 | 0 | 0 | 111.7 | ||||
| 621 | G | 38.7 | Very low | 42.8 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 169.9 | -33.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 622 | E | 31.7 | Very low | 45.8 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | -112.4 | 121.6 | -170.4 | -69.2 | -158.1 | 147.7 | 0 | 0 | 115.1 | K624 | E622-K624 PolarHBondContact O-N 3.43Š| ||
| 623 | K | 35.9 | Very low | 48 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | trans | -73.4 | 104.5 | 172 | -68.3 | 177.8 | -179.6 | 174.9 | 0 | 109.8 | Q625 | K623-Q625 PolarHBondContact O-N 3.08Š| ||
| 624 | K | 34.5 | Very low | 51 | Low | 209 Ų | 209 | 132.2 Ų | 132.2 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -59.2 | 106.7 | 165.9 | -78.8 | -178.4 | 175.1 | 175.8 | 0 | 110 | E622 | E622-K624 PolarHBondContact O-N 3.43Š| ||
| 625 | Q | 38.6 | Very low | 54 | Low | 184 Ų | 184 | 130.8 Ų | 130.8 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -59 | 145.3 | 167.5 | -70.2 | 176.5 | -24.8 | 0 | 0 | 109.7 | K623 | K623-Q625 PolarHBondContact O-N 3.08Š|
| 626 | K | 46.2 | Very low | 57.1 | Low | 182 Ų | 182 | 130.7 Ų | 130.7 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 140.6 | 165.9 | -71.6 | 178.9 | 177.4 | 176.7 | 0 | 108.5 | A628 | K626-A628 PolarHBondContact O-N 3.49Š|
| 627 | P | 48.8 | Very low | 60.1 | Low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 127.2 | 174.7 | 27.2 | -33.5 | 0 | 0 | 0 | 110.2 | ||
| 628 | A | 58.6 | Low | 63 | Low | 56 Ų | 56 | 122 Ų | 122 | 46% | 0.463 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 141.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L563 K626 K630 | L563-A628 HydrophobicContact CD2-CB 4.37Å; K626-A628 PolarHBondContact O-N 3.49Å; A628-K630 PolarHBondContact O-N 3.21Å |
| 629 | R | 72 | Confident | 66.2 | Low | 186 Ų | 186 | 120.4 Ų | 120.4 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 114.5 | -170.4 | -156.1 | 172.6 | -174.4 | -175.9 | 0.1 | 109.8 | V564 | V564-R629 WeakPolarHBondContact CB-O 3.39Å; V564-R629 PolarHBondContact N-O 3.13Å; V564-R629 PolarHBondContact O-N 2.97Å |
| 630 | K | 79.8 | Confident | 69.1 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 56% | 0.557 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.8 | 129.6 | 177.8 | -72.9 | -174.5 | 161.7 | -152.4 | 0 | 111.5 | E561 T562 L563 A628 | E561-K630 IonicContact OE2-NZ 3.42Å; E561-K630 PolarHBondContact OE2-NZ 3.5Å; T562-K630 WeakPolarHBondContact O-CA 3.32Å; L563-K630 HydrophobicContact CD2-CG 3.97Å; A628-K630 PolarHBondContact O-N 3.21Å |
| 631 | R | 85.8 | Confident | 72 | Confident | 133 Ų | 133 | 112.2 Ų | 112.2 | 50% | 0.502 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 115.5 | 169.5 | -172.8 | 176.8 | -170.7 | 175.6 | 1.9 | 109.1 | E561 T562 V564 M633 | E561-R631 WeakPolarHBondContact CA-O 3.36Å; T562-R631 HydrophobicContact CG2-CB 4.43Å; T562-R631 PolarHBondContact N-O 2.78Å; T562-R631 PolarHBondContact O-N 3.34Å; V564-R631 HydrophobicContact CG2-CB 3.66Å; R631-M633 HydrophobicContact CG-CE 4.34Å; R631-M633 VanDerWaalsContact NE-CE 3.35Å |
| 632 | R | 90.8 | Very high | 74.7 | Confident | 126 Ų | 126 | 110.9 Ų | 110.9 | 48% | 0.475 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.6 | 175.8 | -179.7 | -179 | 167.5 | -164.8 | -3.8 | 109.9 | E557 V559 F560 E561 V634 | E557-R632 IonicContact OE1-NH2 2.97Å; E557-R632 PolarHBondContact OE1-NH2 2.73Å; V559-R632 HydrophobicContact CG1-CG 3.97Å; V559-R632 VanDerWaalsContact CG1-NE 3.29Å; F560-R632 CarbonylContact O-C 3.58Å; F560-R632 WeakPolarHBondContact O-CA 3.47Å; E561-R632 HydrophobicContact CG-CB 4.27Å; E561-R632 HydrophobicContact CG-CG 4.37Å; R632-V634 HydrophobicContact CG-CG2 4.15Å |
| 633 | M | 91 | Very high | 77.6 | Confident | 34 Ų | 34 | 103.9 Ų | 103.9 | 17% | 0.167 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 150.7 | 166.7 | -58.8 | -64.2 | -166.4 | 0 | 0 | 109.4 | Y531 Y534 F560 R631 | Y531-M633 HydrophobicContact CD1-CB 4.34Å; Y531-M633 HydrophobicContact CD1-CG 3.92Å; Y531-M633 HydrophobicContact CD2-CB 4.37Å; Y531-M633 HydrophobicContact CE1-CB 4.1Å; Y531-M633 HydrophobicContact CE1-CE 3.99Å; Y531-M633 HydrophobicContact CE1-CG 3.61Å; Y531-M633 HydrophobicContact CE1-SD 4.08Å; Y531-M633 HydrophobicContact CE2-CB 4.1Å; Y531-M633 HydrophobicContact CG-CB 4.49Å; Y534-M633 HydrophobicContact CD1-CG 3.96Å; Y534-M633 HydrophobicContact CE1-CE 3.97Å; Y534-M633 HydrophobicContact CE1-CG 3.5Å; Y534-M633 VanDerWaalsContact OH-CE 3.27Å; Y534-M633 WeakPolarHBondContact OH-CE 3.22Å; F560-M633 HydrophobicContact CB-CB 4.38Å; F560-M633 PolarHBondContact N-O 2.86Å; F560-M633 PolarHBondContact O-N 3.16Å; R631-M633 HydrophobicContact CG-CE 4.34Å; R631-M633 VanDerWaalsContact NE-CE 3.35Å |
| 634 | V | 92.4 | Very high | 80.2 | Confident | 63 Ų | 63 | 97.2 Ų | 97.2 | 38% | 0.382 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 121.5 | 179 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | E557 S558 V559 R632 | E557-V634 HydrophobicContact CB-CG1 3.67Å; E557-V634 HydrophobicContact CG-CG1 4.08Å; S558-V634 WeakPolarHBondContact O-CA 3.32Å; V559-V634 HydrophobicContact CG2-CG1 4.39Å; V559-V634 HydrophobicContact CG2-CG2 4.35Å; R632-V634 HydrophobicContact CG-CG2 4.15Å |
| 635 | E | 93.4 | Very high | 82.8 | Confident | 43 Ų | 43 | 88.1 Ų | 88.1 | 20% | 0.201 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138 | 172.8 | -65.1 | -67.1 | 118.7 | 0 | 0 | 109.4 | K530 Y531 E557 S558 | K530-E635 HydrophobicContact CD-CG 4.38Å; K530-E635 WeakPolarHBondContact CD-OE2 3.33Å; K530-E635 IonicContact NZ-OE1 2.67Å; K530-E635 PolarHBondContact NZ-OE1 3.41Å; K530-E635 IonicContact NZ-OE2 3.92Å; K530-E635 PolarHBondContact NZ-OE2 3.18Å; Y531-E635 HydrophobicContact CD2-CG 4.28Å; Y531-E635 HydrophobicContact CE2-CG 3.69Å; Y531-E635 WeakPolarHBondContact CE2-OE1 3.35Å; Y531-E635 PolarHBondContact OH-OE1 2.86Å; E557-E635 CarbonylContact C-O 3.39Å; E557-E635 VanDerWaalsContact CA-O 3.25Å; E557-E635 WeakPolarHBondContact CA-O 3.39Å; S558-E635 PolarHBondContact N-O 3.45Å; S558-E635 PolarHBondContact O-N 2.96Å |
| 636 | E | 95.1 | Very high | 85.3 | Confident | 145 Ų | 145 | 79.5 Ų | 79.5 | 68% | 0.678 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 134.6 | 168.9 | -171.1 | 154.9 | -138.3 | 0 | 0 | 109.8 | R555 | R555-E636 WeakPolarHBondContact CB-OE1 3.34Å |
| 637 | I | 96.5 | Very high | 87.3 | Confident | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 136.2 | -177 | -66 | -54.8 | 0 | 0 | 0 | 109.2 | L521 V524 V556 V639 | L521-I637 HydrophobicContact CB-CG2 3.91Å; L521-I637 HydrophobicContact CD2-CG2 4.29Å; L521-I637 HydrophobicContact CG-CG2 4.49Å; V524-I637 HydrophobicContact CG2-CD1 4.36Å; V524-I637 HydrophobicContact CG2-CG1 4.48Å; V524-I637 HydrophobicContact CG2-CG2 3.72Å; V556-I637 HydrophobicContact CB-CB 4.32Å; V556-I637 HydrophobicContact CG1-CB 4.11Å; V556-I637 HydrophobicContact CG1-CG2 4.38Å; V556-I637 PolarHBondContact O-N 3.36Å; I637-V639 WeakPolarHBondContact O-CG2 3.41Å; I637-V639 PolarHBondContact O-N 3.48Å |
| 638 | G | 95.1 | Very high | 89.2 | Confident | 38 Ų | 38 | 71.3 Ų | 71.3 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 130.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | L521 K522 | L521-G638 CarbonylContact C-O 3.53Å; L521-G638 WeakPolarHBondContact CA-O 3.38Å; K522-G638 PolarHBondContact N-O 3.41Å; K522-G638 PolarHBondContact O-N 2.9Å |
| 639 | V | 96.8 | Very high | 90.6 | Very high | 61 Ų | 61 | 69.9 Ų | 69.9 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.4 | -178.5 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | V519 L521 L553 V556 I637 L641 | V519-V639 HydrophobicContact CG1-CG1 3.83Å; L521-V639 HydrophobicContact CD2-CG2 4.05Å; L553-V639 HydrophobicContact CD2-CG1 4.2Å; V556-V639 HydrophobicContact CB-CG2 3.94Å; V556-V639 HydrophobicContact CG2-CG2 3.66Å; I637-V639 WeakPolarHBondContact O-CG2 3.41Å; I637-V639 PolarHBondContact O-N 3.48Å; V639-L641 HydrophobicContact CG1-CD2 3.57Å; V639-L641 HydrophobicContact CG1-CG 4.07Å |
| 640 | E | 96.3 | Very high | 91.5 | Very high | 65 Ų | 65 | 63.4 Ų | 63.4 | 30% | 0.304 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.4 | 165.7 | -179.8 | -170.2 | 133.3 | 0 | 0 | 108.6 | K520 K522 | K520-E640 HydrophobicContact CB-CB 4.26Å; K520-E640 WeakPolarHBondContact CD-OE1 3.37Å; K520-E640 WeakPolarHBondContact CE-OE1 3.34Å; K520-E640 PolarHBondContact N-O 2.86Å; K520-E640 IonicContact NZ-OE1 2.8Å; K520-E640 PolarHBondContact NZ-OE1 3.45Å; K520-E640 PolarHBondContact O-N 3.37Å; K522-E640 IonicContact NZ-OE2 2.67Å; K522-E640 PolarHBondContact NZ-OE2 2.92Å |
| 641 | L | 94.6 | Very high | 92.1 | Very high | 94 Ų | 94 | 62.8 Ų | 62.8 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.9 | 178.8 | -57.9 | -177.9 | 0 | 0 | 0 | 110 | T517 V519 L553 V639 | T517-L641 HydrophobicContact CG2-CB 4.04Å; T517-L641 HydrophobicContact CG2-CD2 4.13Å; V519-L641 HydrophobicContact CB-CD2 4.39Å; V519-L641 HydrophobicContact CG1-CD2 4.14Å; V519-L641 HydrophobicContact CG2-CD2 3.83Å; L553-L641 HydrophobicContact CD2-CD2 4.17Å; V639-L641 HydrophobicContact CG1-CD2 3.57Å; V639-L641 HydrophobicContact CG1-CG 4.07Å |
| 642 | V | 94.5 | Very high | 92.5 | Very high | 50 Ų | 50 | 60.6 Ų | 60.6 | 30% | 0.303 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 105.9 | 167.9 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | T517 T518 L644 | T517-V642 CarbonylContact C-O 3.57Å; T517-V642 VanDerWaalsContact CA-O 3.27Å; T517-V642 WeakPolarHBondContact CA-O 3.2Å; T517-V642 WeakPolarHBondContact CG2-O 3.33Å; T518-V642 PolarHBondContact N-O 3.18Å; T518-V642 PolarHBondContact O-N 3.09Å; V642-L644 HydrophobicContact CG1-CD2 4.02Å |
| 643 | V | 92.3 | Very high | 92.6 | Very high | 48 Ų | 48 | 59 Ų | 59 | 29% | 0.291 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 134.1 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | D645 L646 | V643-D645 WeakPolarHBondContact CG1-OD1 3.35Å; V643-L646 WeakPolarHBondContact CG1-O 3.41Å |
| 644 | L | 91.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 57.9 Ų | 57.9 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -123.2 | -7.1 | -169.1 | -60.8 | -179.7 | 0 | 0 | 0 | 114.5 | S513 N515 L516 V642 | S513-L644 PolarHBondContact OG-O 2.91Å; N515-L644 HydrophobicContact CB-CB 4.03Å; N515-L644 HydrophobicContact CB-CD1 3.98Å; N515-L644 CarbonylContact O-C 3.54Å; N515-L644 VanDerWaalsContact O-C 3.22Å; N515-L644 WeakPolarHBondContact O-CB 3.33Å; L516-L644 PolarHBondContact O-N 2.8Å; V642-L644 HydrophobicContact CG1-CD2 4.02Å |
| 645 | D | 89.5 | Confident | 92.9 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -88.9 | -57 | 174.8 | 61.6 | -24.3 | 0 | 0 | 0 | 110.8 | A183 R186 N515 L516 V643 | A183-D645 PolarHBondContact N-OD2 3.45Å; R186-D645 IonicContact CZ-OD1 3.3Å; R186-D645 IonicContact CZ-OD2 2.89Å; R186-D645 IonicContact NH2-OD1 2.81Å; R186-D645 PolarHBondContact NH2-OD1 2.87Å; R186-D645 IonicContact NH2-OD2 2.76Å; R186-D645 PolarHBondContact NH2-OD2 3.15Å; N515-D645 PolarHBondContact O-N 3.41Å; L516-D645 HydrophobicContact CD2-CB 4.17Å; L516-D645 WeakPolarHBondContact CD2-OD2 3.18Å; V643-D645 WeakPolarHBondContact CG1-OD1 3.35Å |
| 646 | L | 90.8 | Very high | 93 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | trans | -160.8 | 120.7 | 169.8 | -177.8 | 68.3 | 0 | 0 | 0 | 108.5 | G105 Q107 R131 T133 A183 R186 V643 | G105-L646 VanDerWaalsContact CA-CD2 3.5Å; Q107-L646 HydrophobicContact CG-CD1 4.09Å; R131-L646 HydrophobicContact CB-CD1 4.44Å; T133-L646 HydrophobicContact CG2-CD1 3.61Å; T133-L646 HydrophobicContact CG2-CD2 3.98Å; T133-L646 HydrophobicContact CG2-CG 4.41Å; A183-L646 HydrophobicContact CB-CB 3.89Å; A183-L646 HydrophobicContact CB-CD2 4.41Å; R186-L646 PolarHBondContact NH1-O 2.86Å; R186-L646 PolarHBondContact NH2-O 3.24Å; V643-L646 WeakPolarHBondContact CG1-O 3.41Å | ||
| 647 | P | 87.9 | Confident | 93 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 145.3 | 174.2 | 26.6 | -33.8 | 0 | 0 | 0 | 111.4 | R131 | R131-P647 PolarHBondContact NE-O 3.15Š|
| 648 | D | 88.1 | Confident | 93.1 | Very high | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 159 | 169.9 | -62.7 | -45.6 | 0 | 0 | 0 | 110.6 | R186 Q190 | R186-D648 IonicContact CZ-OD1 2.63Å; R186-D648 IonicContact NH1-OD1 2.62Å; R186-D648 PolarHBondContact NH1-OD1 2.95Å; R186-D648 IonicContact NH1-OD2 2.64Å; Q190-D648 PolarHBondContact NE2-OD1 3.49Å |
| 649 | L | 89.1 | Confident | 93.1 | Very high | 26 Ų | 26 | 58 Ų | 58 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 133.8 | 170.8 | -86.3 | 86.2 | 0 | 0 | 0 | 109.4 | M194 K653 L654 | M194-L649 HydrophobicContact CE-CD2 4.15Å; L649-K653 HydrophobicContact CD2-CB 4.28Å; L649-L654 HydrophobicContact CB-CB 4.39Å |
| 650 | P | 90.5 | Very high | 93 | Very high | 51 Ų | 51 | 58 Ų | 58 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 143.2 | 168.4 | -28.1 | 36.3 | 0 | 0 | 0 | 111.4 | D652 K653 L654 | P650-D652 WeakPolarHBondContact CB-OD1 3.49Å; P650-D652 PolarHBondContact O-N 2.87Å; P650-D652 VanDerWaalsContact O-N 3.15Å; P650-K653 HydrophobicContact CB-CB 4.4Å; P650-K653 HydrophobicContact CB-CG 4.19Å; P650-K653 HydrophobicContact CG-CG 4.36Å; P650-K653 CarbonylContact O-C 3.52Å; P650-K653 WeakPolarHBondContact O-CA 3.42Å; P650-K653 WeakPolarHBondContact O-CB 3.49Å; P650-K653 PolarHBondContact O-N 2.95Å; P650-L654 PolarHBondContact O-N 3.4Å |
| 651 | E | 92.2 | Very high | 92.9 | Very high | 114 Ų | 114 | 55.3 Ų | 55.3 | 53% | 0.533 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -29.2 | -170.5 | -164.8 | 78.9 | 154.9 | 0 | 0 | 112.6 | R193 A655 | R193-E651 IonicContact CZ-OE1 2.69Å; R193-E651 IonicContact CZ-OE2 3.14Å; R193-E651 IonicContact NH1-OE1 2.73Å; R193-E651 PolarHBondContact NH1-OE1 3.09Å; R193-E651 IonicContact NH1-OE2 2.75Å; R193-E651 PolarHBondContact NH1-OE2 3.3Å; R193-E651 IonicContact NH2-OE1 3.88Å; R193-E651 PolarHBondContact NH2-OE1 2.86Å; R193-E651 IonicContact NH2-OE2 2.66Å; E651-A655 WeakPolarHBondContact O-CB 3.24Å; E651-A655 PolarHBondContact O-N 3.48Å |
| 652 | D | 94.3 | Very high | 92.9 | Very high | 87 Ų | 87 | 55.4 Ų | 55.4 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 171.8 | 76 | -70.3 | 0 | 0 | 0 | 112.1 | P650 A655 Q656 | P650-D652 WeakPolarHBondContact CB-OD1 3.49Å; P650-D652 PolarHBondContact O-N 2.87Å; P650-D652 VanDerWaalsContact O-N 3.15Å; D652-A655 PolarHBondContact O-N 3.39Å; D652-Q656 WeakPolarHBondContact O-CG 3.39Å; D652-Q656 PolarHBondContact O-N 2.62Å; D652-Q656 PolarHBondContact O-NE2 3.15Å; D652-Q656 PolarHBondContact OD2-NE2 2.9Å |
| 653 | K | 92.9 | Very high | 92.9 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 40% | 0.404 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.1 | -40.7 | 177.9 | -64.9 | -58.1 | 177.6 | -174.7 | 0 | 111.7 | L649 P650 A655 Q656 S657 | L649-K653 HydrophobicContact CD2-CB 4.28Å; P650-K653 HydrophobicContact CB-CB 4.4Å; P650-K653 HydrophobicContact CB-CG 4.19Å; P650-K653 HydrophobicContact CG-CG 4.36Å; P650-K653 CarbonylContact O-C 3.52Å; P650-K653 WeakPolarHBondContact O-CA 3.42Å; P650-K653 WeakPolarHBondContact O-CB 3.49Å; P650-K653 PolarHBondContact O-N 2.95Å; K653-A655 VanDerWaalsContact C-N 3.32Å; K653-A655 PolarHBondContact O-N 3.49Å; K653-Q656 WeakPolarHBondContact O-CB 3.31Å; K653-Q656 PolarHBondContact O-N 2.8Å; K653-S657 PolarHBondContact O-N 3.15Å; K653-S657 PolarHBondContact O-OG 3.39Å |
| 654 | L | 94.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 170.2 | -179 | 62.6 | 0 | 0 | 0 | 111.2 | R193 M194 L649 P650 S657 V658 | R193-L654 HydrophobicContact CG-CD2 4.39Å; M194-L654 HydrophobicContact CE-CD1 3.61Å; M194-L654 HydrophobicContact CG-CD1 3.6Å; M194-L654 HydrophobicContact SD-CD1 4.46Å; L649-L654 HydrophobicContact CB-CB 4.39Å; P650-L654 PolarHBondContact O-N 3.4Å; L654-S657 PolarHBondContact O-N 3.11Å; L654-V658 HydrophobicContact CD1-CG2 4.42Å; L654-V658 HydrophobicContact CG-CG2 4.45Å; L654-V658 WeakPolarHBondContact O-CB 3.46Å; L654-V658 VanDerWaalsContact O-CG2 3.24Å; L654-V658 WeakPolarHBondContact O-CG2 3.45Å; L654-V658 PolarHBondContact O-N 3.3Å |
| 655 | A | 95.9 | Very high | 93 | Very high | 58 Ų | 58 | 51.9 Ų | 51.9 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | E651 D652 K653 V658 Q659 | E651-A655 WeakPolarHBondContact O-CB 3.24Å; E651-A655 PolarHBondContact O-N 3.48Å; D652-A655 PolarHBondContact O-N 3.39Å; K653-A655 VanDerWaalsContact C-N 3.32Å; K653-A655 PolarHBondContact O-N 3.49Å; A655-V658 PolarHBondContact O-N 3.47Å; A655-Q659 WeakPolarHBondContact O-CB 3.3Å; A655-Q659 PolarHBondContact O-N 2.89Å |
| 656 | Q | 95.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 172.2 | -76.9 | 151.8 | 64.9 | 0 | 0 | 111.4 | D652 K653 K660 | D652-Q656 WeakPolarHBondContact O-CG 3.39Å; D652-Q656 PolarHBondContact O-N 2.62Å; D652-Q656 PolarHBondContact O-NE2 3.15Å; D652-Q656 PolarHBondContact OD2-NE2 2.9Å; K653-Q656 WeakPolarHBondContact O-CB 3.31Å; K653-Q656 PolarHBondContact O-N 2.8Å; Q656-K660 WeakPolarHBondContact O-CB 3.25Å; Q656-K660 PolarHBondContact O-N 2.84Å |
| 657 | S | 95.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 175.4 | -70.3 | 0 | 0 | 0 | 0 | 113 | E148 K653 L654 K660 L661 | E148-S657 VanDerWaalsContact OE1-CB 3.23Å; E148-S657 WeakPolarHBondContact OE1-CB 3.5Å; E148-S657 PolarHBondContact OE1-OG 3.36Å; K653-S657 PolarHBondContact O-N 3.15Å; K653-S657 PolarHBondContact O-OG 3.39Å; L654-S657 PolarHBondContact O-N 3.11Å; S657-K660 PolarHBondContact O-N 3.26Å; S657-L661 WeakPolarHBondContact O-CG 3.32Å; S657-L661 PolarHBondContact O-N 3.03Å |
| 658 | V | 97 | Very high | 93.2 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.4 | -52.2 | 174.9 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | M194 L654 A655 K660 L661 Q662 | M194-V658 HydrophobicContact CG-CG2 4.4Å; L654-V658 HydrophobicContact CD1-CG2 4.42Å; L654-V658 HydrophobicContact CG-CG2 4.45Å; L654-V658 WeakPolarHBondContact O-CB 3.46Å; L654-V658 VanDerWaalsContact O-CG2 3.24Å; L654-V658 WeakPolarHBondContact O-CG2 3.45Å; L654-V658 PolarHBondContact O-N 3.3Å; A655-V658 PolarHBondContact O-N 3.47Å; V658-K660 PolarHBondContact O-N 2.86Å; V658-L661 PolarHBondContact O-N 2.99Å; V658-Q662 HydrophobicContact CG1-CG 4.45Å; V658-Q662 WeakPolarHBondContact O-CB 3.43Å; V658-Q662 VanDerWaalsContact O-CG 3.31Å; V658-Q662 WeakPolarHBondContact O-CG 3.4Å; V658-Q662 PolarHBondContact O-N 3.43Å |
| 659 | Q | 96.3 | Very high | 93.3 | Very high | 102 Ų | 102 | 60.7 Ų | 60.7 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 178.9 | -174.7 | 63.7 | 57 | 0 | 0 | 111.2 | A655 L661 Q662 D663 | A655-Q659 WeakPolarHBondContact O-CB 3.3Å; A655-Q659 PolarHBondContact O-N 2.89Å; Q659-L661 VanDerWaalsContact C-N 3.33Å; Q659-L661 PolarHBondContact O-N 3.41Å; Q659-Q662 PolarHBondContact O-N 2.91Å; Q659-Q662 VanDerWaalsContact O-N 3.16Å; Q659-D663 PolarHBondContact NE2-OD1 3.49Å; Q659-D663 VanDerWaalsContact O-CB 3.3Å; Q659-D663 WeakPolarHBondContact O-CB 3.4Å; Q659-D663 PolarHBondContact O-N 3.45Å |
| 660 | K | 94.3 | Very high | 93.4 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 177.2 | 173.8 | -173 | 172.4 | -164.1 | 0 | 113.1 | Q143 F144 E148 Q656 S657 V658 L664 | Q143-K660 PolarHBondContact O-NZ 2.79Å; F144-K660 HydrophobicContact CE1-CD 4.44Å; E148-K660 WeakPolarHBondContact OE1-CD 3.46Å; E148-K660 IonicContact OE1-NZ 2.78Å; E148-K660 PolarHBondContact OE1-NZ 3.39Å; E148-K660 IonicContact OE2-NZ 3.47Å; E148-K660 PolarHBondContact OE2-NZ 3.41Å; Q656-K660 WeakPolarHBondContact O-CB 3.25Å; Q656-K660 PolarHBondContact O-N 2.84Å; S657-K660 PolarHBondContact O-N 3.26Å; V658-K660 PolarHBondContact O-N 2.86Å; K660-L664 WeakPolarHBondContact O-CD1 3.38Å; K660-L664 WeakPolarHBondContact O-CG 3.39Å; K660-L664 PolarHBondContact O-N 3.25Å |
| 661 | L | 95 | Very high | 93.4 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -76.9 | -32.4 | 175.3 | -64.2 | -163.2 | 0 | 0 | 0 | 113 | F144 E148 M152 M194 S657 V658 Q659 L664 T665 | F144-L661 HydrophobicContact CE1-CD2 4.45Å; E148-L661 WeakPolarHBondContact O-CD1 3.47Å; M152-L661 HydrophobicContact CE-CD2 3.66Å; M152-L661 HydrophobicContact CG-CD1 4.29Å; M152-L661 HydrophobicContact CG-CD2 3.77Å; M152-L661 HydrophobicContact SD-CD2 4.45Å; M194-L661 HydrophobicContact CB-CD1 4.12Å; S657-L661 WeakPolarHBondContact O-CG 3.32Å; S657-L661 PolarHBondContact O-N 3.03Å; V658-L661 PolarHBondContact O-N 2.99Å; Q659-L661 VanDerWaalsContact C-N 3.33Å; Q659-L661 PolarHBondContact O-N 3.41Å; L661-L664 HydrophobicContact CD2-CD1 4.37Å; L661-T665 WeakPolarHBondContact O-CB 3.2Å; L661-T665 PolarHBondContact O-N 3.41Å; L661-T665 VanDerWaalsContact O-N 3.09Å; L661-T665 PolarHBondContact O-OG1 3.45Å |
| 662 | Q | 94.4 | Very high | 93.3 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.5 | -47.7 | 173.3 | -73.6 | 175.1 | 0.9 | 0 | 0 | 111.2 | V658 Q659 L664 T665 L666 | V658-Q662 HydrophobicContact CG1-CG 4.45Å; V658-Q662 WeakPolarHBondContact O-CB 3.43Å; V658-Q662 VanDerWaalsContact O-CG 3.31Å; V658-Q662 WeakPolarHBondContact O-CG 3.4Å; V658-Q662 PolarHBondContact O-N 3.43Å; Q659-Q662 PolarHBondContact O-N 2.91Å; Q659-Q662 VanDerWaalsContact O-N 3.16Å; Q662-L664 VanDerWaalsContact C-N 3.3Å; Q662-L664 PolarHBondContact O-N 3.41Å; Q662-T665 CarbonylContact O-C 3.6Å; Q662-T665 WeakPolarHBondContact O-CA 3.48Å; Q662-T665 WeakPolarHBondContact O-CB 3.31Å; Q662-T665 PolarHBondContact O-N 3.38Å; Q662-L666 WeakPolarHBondContact O-CG 3.37Å; Q662-L666 PolarHBondContact O-N 3.43Å |
| 663 | D | 93.5 | Very high | 93.2 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -49 | -46.8 | 172.4 | -95.7 | 41.4 | 0 | 0 | 0 | 113 | Q659 R667 | Q659-D663 PolarHBondContact NE2-OD1 3.49Å; Q659-D663 VanDerWaalsContact O-CB 3.3Å; Q659-D663 WeakPolarHBondContact O-CB 3.4Å; Q659-D663 PolarHBondContact O-N 3.45Å; D663-R667 WeakPolarHBondContact O-CG 3.31Å; D663-R667 PolarHBondContact O-N 3.1Å; D663-R667 IonicContact OD2-CZ 2.77Å; D663-R667 IonicContact OD2-NH2 3.91Å; D663-R667 PolarHBondContact OD2-NH2 3.07Å |
| 664 | L | 92.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 176.2 | -69.9 | 163.4 | 0 | 0 | 0 | 111.6 | F144 M152 K660 L661 Q662 R667 D668 | F144-L664 HydrophobicContact CE1-CD1 3.87Å; F144-L664 HydrophobicContact CZ-CD1 3.97Å; M152-L664 HydrophobicContact CE-CD1 4.4Å; K660-L664 WeakPolarHBondContact O-CD1 3.38Å; K660-L664 WeakPolarHBondContact O-CG 3.39Å; K660-L664 PolarHBondContact O-N 3.25Å; L661-L664 HydrophobicContact CD2-CD1 4.37Å; Q662-L664 VanDerWaalsContact C-N 3.3Å; Q662-L664 PolarHBondContact O-N 3.41Å; L664-R667 PolarHBondContact O-N 3.35Å; L664-D668 PolarHBondContact O-N 3.03Å |
| 665 | T | 92.4 | Very high | 93.2 | Very high | 29 Ų | 29 | 66.2 Ų | 66.2 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.6 | -36.1 | 178.4 | -51.3 | 0 | 0 | 0 | 0 | 112.4 | R79 L661 Q662 D668 L669 | R79-T665 PolarHBondContact NH2-OG1 3.21Å; L661-T665 WeakPolarHBondContact O-CB 3.2Å; L661-T665 PolarHBondContact O-N 3.41Å; L661-T665 VanDerWaalsContact O-N 3.09Å; L661-T665 PolarHBondContact O-OG1 3.45Å; Q662-T665 CarbonylContact O-C 3.6Å; Q662-T665 WeakPolarHBondContact O-CA 3.48Å; Q662-T665 WeakPolarHBondContact O-CB 3.31Å; Q662-T665 PolarHBondContact O-N 3.38Å; T665-D668 PolarHBondContact O-N 2.91Å; T665-L669 HydrophobicContact CG2-CD1 4.23Å; T665-L669 WeakPolarHBondContact O-CB 3.21Å; T665-L669 VanDerWaalsContact O-CG 3.27Å; T665-L669 WeakPolarHBondContact O-CG 3.36Å; T665-L669 PolarHBondContact O-N 2.82Å |
| 666 | L | 92.2 | Very high | 93.1 | Very high | 100 Ų | 100 | 69 Ų | 69 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 172.8 | -67.3 | 172.4 | 0 | 0 | 0 | 110.9 | Q662 D668 L669 E670 | Q662-L666 WeakPolarHBondContact O-CG 3.37Å; Q662-L666 PolarHBondContact O-N 3.43Å; L666-D668 PolarHBondContact O-N 3.39Å; L666-L669 PolarHBondContact O-N 2.87Å; L666-E670 WeakPolarHBondContact O-CB 3.43Å; L666-E670 VanDerWaalsContact O-CG 3.3Å; L666-E670 WeakPolarHBondContact O-CG 3.41Å; L666-E670 PolarHBondContact O-N 2.97Å |
| 667 | R | 91.1 | Very high | 93.1 | Very high | 108 Ų | 108 | 64.7 Ų | 64.7 | 41% | 0.408 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.4 | -67.8 | 171.6 | -162.4 | 117.1 | 15.3 | 112.6 | D663 L664 L669 E670 K671 | D663-R667 WeakPolarHBondContact O-CG 3.31Å; D663-R667 PolarHBondContact O-N 3.1Å; D663-R667 IonicContact OD2-CZ 2.77Å; D663-R667 IonicContact OD2-NH2 3.91Å; D663-R667 PolarHBondContact OD2-NH2 3.07Å; L664-R667 PolarHBondContact O-N 3.35Å; R667-L669 VanDerWaalsContact C-N 3.33Å; R667-L669 PolarHBondContact O-N 3.19Å; R667-E670 PolarHBondContact O-N 2.76Å; R667-K671 WeakPolarHBondContact O-CB 3.46Å; R667-K671 PolarHBondContact O-N 3.49Å |
| 668 | D | 90.4 | Very high | 93.1 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 175.9 | -64.9 | -24.4 | 0 | 0 | 0 | 111.2 | R79 L664 T665 L666 Q672 | R79-D668 IonicContact CZ-OD2 3.46Å; R79-D668 IonicContact NE-OD2 3.98Å; R79-D668 PolarHBondContact NE-OD2 2.96Å; R79-D668 IonicContact NH2-OD2 3.47Å; R79-D668 PolarHBondContact NH2-OD2 2.91Å; L664-D668 PolarHBondContact O-N 3.03Å; T665-D668 PolarHBondContact O-N 2.91Å; L666-D668 PolarHBondContact O-N 3.39Å; D668-Q672 WeakPolarHBondContact O-CB 3.37Å; D668-Q672 PolarHBondContact O-N 2.94Å |
| 669 | L | 90.4 | Very high | 93.1 | Very high | 97 Ų | 97 | 67.8 Ų | 67.8 | 51% | 0.508 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.3 | -42.2 | 178.1 | -72.2 | 169.8 | 0 | 0 | 0 | 112.9 | T665 L666 R667 K671 Q672 E673 | T665-L669 HydrophobicContact CG2-CD1 4.23Å; T665-L669 WeakPolarHBondContact O-CB 3.21Å; T665-L669 VanDerWaalsContact O-CG 3.27Å; T665-L669 WeakPolarHBondContact O-CG 3.36Å; T665-L669 PolarHBondContact O-N 2.82Å; L666-L669 PolarHBondContact O-N 2.87Å; R667-L669 VanDerWaalsContact C-N 3.33Å; R667-L669 PolarHBondContact O-N 3.19Å; L669-K671 VanDerWaalsContact C-N 3.31Å; L669-K671 PolarHBondContact O-N 3.29Å; L669-Q672 PolarHBondContact O-N 3.2Å; L669-E673 PolarHBondContact O-N 2.82Å |
| 670 | E | 91.4 | Very high | 93.1 | Very high | 130 Ų | 130 | 65.3 Ų | 65.3 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.5 | -43.2 | 174.1 | -76.4 | 174.3 | 167 | 0 | 0 | 111.1 | L666 R667 R674 | L666-E670 WeakPolarHBondContact O-CB 3.43Å; L666-E670 VanDerWaalsContact O-CG 3.3Å; L666-E670 WeakPolarHBondContact O-CG 3.41Å; L666-E670 PolarHBondContact O-N 2.97Å; R667-E670 PolarHBondContact O-N 2.76Å; E670-R674 WeakPolarHBondContact O-CB 3.14Å; E670-R674 PolarHBondContact O-N 2.86Å |
| 671 | K | 89.6 | Confident | 93.2 | Very high | 65 Ų | 65 | 62.4 Ų | 62.4 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -51 | 173 | -177.4 | -178 | 171.5 | -177.2 | 0 | 111.2 | E78 R667 L669 E673 R674 E675 | E78-K671 IonicContact OE1-NZ 3.18Å; E78-K671 PolarHBondContact OE1-NZ 2.9Å; E78-K671 IonicContact OE2-NZ 3.4Å; E78-K671 PolarHBondContact OE2-NZ 3.47Å; R667-K671 WeakPolarHBondContact O-CB 3.46Å; R667-K671 PolarHBondContact O-N 3.49Å; L669-K671 VanDerWaalsContact C-N 3.31Å; L669-K671 PolarHBondContact O-N 3.29Å; K671-E673 VanDerWaalsContact C-N 3.33Å; K671-E673 PolarHBondContact O-N 3.05Å; K671-R674 WeakPolarHBondContact O-CA 3.41Å; K671-R674 WeakPolarHBondContact O-CB 3.38Å; K671-R674 PolarHBondContact O-N 3.4Å; K671-E675 WeakPolarHBondContact CE-OE1 3.35Å; K671-E675 WeakPolarHBondContact CE-OE2 3.44Å; K671-E675 HydrophobicContact CG-CG 4.42Å; K671-E675 IonicContact NZ-OE1 3.05Å; K671-E675 PolarHBondContact O-N 2.64Å |
| 672 | Q | 89.6 | Confident | 93.3 | Very high | 89 Ų | 89 | 66.2 Ų | 66.2 | 42% | 0.416 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | -178.5 | -171 | 178 | -54.7 | 0 | 0 | 112.1 | D668 L669 K676 | D668-Q672 WeakPolarHBondContact O-CB 3.37Å; D668-Q672 PolarHBondContact O-N 2.94Å; L669-Q672 PolarHBondContact O-N 3.2Å; Q672-K676 WeakPolarHBondContact O-CB 3.3Å; Q672-K676 PolarHBondContact O-N 2.82Å |
| 673 | E | 92.7 | Very high | 93.5 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.1 | -29.1 | 174.2 | -90.3 | -72.6 | 130.2 | 0 | 0 | 113.2 | L669 K671 K676 A677 T729 K733 | L669-E673 PolarHBondContact O-N 2.82Å; K671-E673 VanDerWaalsContact C-N 3.33Å; K671-E673 PolarHBondContact O-N 3.05Å; E673-K676 WeakPolarHBondContact OE1-CD 3.29Å; E673-K676 WeakPolarHBondContact OE1-CE 3.27Å; E673-K676 IonicContact OE1-NZ 3.84Å; E673-K676 PolarHBondContact OE1-NZ 3.44Å; E673-A677 VanDerWaalsContact O-CB 3.32Å; E673-A677 WeakPolarHBondContact O-CB 3.16Å; E673-A677 PolarHBondContact O-N 3.32Å; E673-A677 VanDerWaalsContact O-N 3.08Å; E673-T729 HydrophobicContact CB-CG2 4.39Å; E673-T729 WeakPolarHBondContact O-CG2 3.36Å; E673-K733 IonicContact OE2-NZ 2.68Å; E673-K733 PolarHBondContact OE2-NZ 2.77Å |
| 674 | R | 93.9 | Very high | 93.7 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 25% | 0.245 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.6 | -48.8 | 172.1 | -162.7 | -164.1 | 84.1 | 92 | 1.1 | 111.5 | E670 K671 A677 A678 G724 V725 A727 T729 L732 | E670-R674 WeakPolarHBondContact O-CB 3.14Å; E670-R674 PolarHBondContact O-N 2.86Å; K671-R674 WeakPolarHBondContact O-CA 3.41Å; K671-R674 WeakPolarHBondContact O-CB 3.38Å; K671-R674 PolarHBondContact O-N 3.4Å; R674-A677 WeakPolarHBondContact O-CB 3.4Å; R674-A677 PolarHBondContact O-N 2.97Å; R674-A677 VanDerWaalsContact O-N 3.16Å; R674-A678 PolarHBondContact O-N 3.37Å; R674-G724 PolarHBondContact NH1-O 3.47Å; R674-G724 VanDerWaalsContact NH1-O 3.09Å; R674-V725 PolarHBondContact NH1-O 3.47Å; R674-V725 VanDerWaalsContact NH1-O 3.08Å; R674-V725 PolarHBondContact NH2-O 3.23Å; R674-A727 WeakPolarHBondContact CD-O 2.99Å; R674-A727 PolarHBondContact NH1-O 2.89Å; R674-T729 WeakPolarHBondContact CA-OG1 3.42Å; R674-T729 VanDerWaalsContact CB-OG1 3.29Å; R674-T729 WeakPolarHBondContact CB-OG1 3.19Å; R674-T729 WeakPolarHBondContact CG-OG1 3.13Å; R674-L732 HydrophobicContact CG-CD1 3.85Å |
| 675 | E | 92.8 | Very high | 93.9 | Very high | 78 Ų | 78 | 62.3 Ų | 62.3 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 179.4 | -69.3 | 176.8 | 151.9 | 0 | 0 | 110.9 | K671 A677 A678 N679 | K671-E675 WeakPolarHBondContact CE-OE1 3.35Å; K671-E675 WeakPolarHBondContact CE-OE2 3.44Å; K671-E675 HydrophobicContact CG-CG 4.42Å; K671-E675 IonicContact NZ-OE1 3.05Å; K671-E675 PolarHBondContact O-N 2.64Å; E675-A677 PolarHBondContact O-N 2.96Å; E675-A678 PolarHBondContact O-N 2.97Å; E675-A678 VanDerWaalsContact O-N 3.1Å; E675-N679 VanDerWaalsContact O-CG 3.27Å; E675-N679 PolarHBondContact O-N 3.18Å; E675-N679 PolarHBondContact O-OD1 3.45Å |
| 676 | K | 94 | Very high | 94.1 | Very high | 116 Ų | 116 | 66.3 Ų | 66.3 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.3 | -35.5 | 171.7 | -178.9 | 178 | 166.7 | -163.2 | 0 | 112.7 | Q672 E673 S680 | Q672-K676 WeakPolarHBondContact O-CB 3.3Å; Q672-K676 PolarHBondContact O-N 2.82Å; E673-K676 WeakPolarHBondContact OE1-CD 3.29Å; E673-K676 WeakPolarHBondContact OE1-CE 3.27Å; E673-K676 IonicContact OE1-NZ 3.84Å; E673-K676 PolarHBondContact OE1-NZ 3.44Å; K676-S680 VanDerWaalsContact O-CB 3.24Å; K676-S680 WeakPolarHBondContact O-CB 3.49Å; K676-S680 PolarHBondContact O-N 3.46Å; K676-S680 PolarHBondContact O-OG 3.27Å |
| 677 | A | 96.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.2 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E673 R674 E675 S680 L681 T729 L732 K733 | E673-A677 VanDerWaalsContact O-CB 3.32Å; E673-A677 WeakPolarHBondContact O-CB 3.16Å; E673-A677 PolarHBondContact O-N 3.32Å; E673-A677 VanDerWaalsContact O-N 3.08Å; R674-A677 WeakPolarHBondContact O-CB 3.4Å; R674-A677 PolarHBondContact O-N 2.97Å; R674-A677 VanDerWaalsContact O-N 3.16Å; E675-A677 PolarHBondContact O-N 2.96Å; A677-S680 PolarHBondContact O-N 3.02Å; A677-L681 PolarHBondContact O-N 3.23Å; A677-L681 VanDerWaalsContact O-N 3.11Å; A677-T729 HydrophobicContact CB-CG2 4.16Å; A677-L732 HydrophobicContact CB-CB 3.91Å; A677-L732 HydrophobicContact CB-CD1 4.3Å; A677-K733 HydrophobicContact CB-CD 4.5Å; A677-K733 HydrophobicContact CB-CG 3.95Å |
| 678 | A | 95.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -52.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R674 E675 S680 L681 E682 L720 L732 | R674-A678 PolarHBondContact O-N 3.37Å; E675-A678 PolarHBondContact O-N 2.97Å; E675-A678 VanDerWaalsContact O-N 3.1Å; A678-S680 PolarHBondContact O-N 3.48Å; A678-L681 WeakPolarHBondContact O-CA 3.39Å; A678-L681 WeakPolarHBondContact O-CB 3.23Å; A678-L681 PolarHBondContact O-N 3.24Å; A678-E682 WeakPolarHBondContact O-CB 3.34Å; A678-E682 PolarHBondContact O-N 2.89Å; A678-L720 HydrophobicContact CB-CD1 4.46Å; A678-L732 HydrophobicContact CB-CD1 4.06Å; A678-L732 HydrophobicContact CB-CD2 4.3Å |
| 679 | N | 96 | Very high | 94.8 | Very high | 96 Ų | 96 | 61.9 Ų | 61.9 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -32.9 | 178.5 | -60 | 18.7 | 0 | 0 | 0 | 111.8 | E675 L681 A683 | E675-N679 VanDerWaalsContact O-CG 3.27Å; E675-N679 PolarHBondContact O-N 3.18Å; E675-N679 PolarHBondContact O-OD1 3.45Å; N679-L681 VanDerWaalsContact C-N 3.33Å; N679-A683 WeakPolarHBondContact O-CB 3.37Å; N679-A683 PolarHBondContact O-N 3.47Å |
| 680 | S | 97.1 | Very high | 95 | Very high | 50 Ų | 50 | 62 Ų | 62 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.8 | -26.7 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | K676 A677 A678 F684 | K676-S680 VanDerWaalsContact O-CB 3.24Å; K676-S680 WeakPolarHBondContact O-CB 3.49Å; K676-S680 PolarHBondContact O-N 3.46Å; K676-S680 PolarHBondContact O-OG 3.27Å; A677-S680 PolarHBondContact O-N 3.02Å; A678-S680 PolarHBondContact O-N 3.48Å; S680-F684 WeakPolarHBondContact O-CB 3.4Å; S680-F684 PolarHBondContact O-N 2.85Å |
| 681 | L | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -79.4 | -48.9 | 174.1 | 173.1 | 58.6 | 0 | 0 | 0 | 110.3 | A677 A678 N679 F684 I685 W719 L720 L732 K735 L736 L739 | A677-L681 PolarHBondContact O-N 3.23Å; A677-L681 VanDerWaalsContact O-N 3.11Å; A678-L681 WeakPolarHBondContact O-CA 3.39Å; A678-L681 WeakPolarHBondContact O-CB 3.23Å; A678-L681 PolarHBondContact O-N 3.24Å; N679-L681 VanDerWaalsContact C-N 3.33Å; L681-F684 PolarHBondContact O-N 2.91Å; L681-I685 HydrophobicContact CD1-CD1 3.92Å; L681-I685 HydrophobicContact CD1-CG1 4.31Å; L681-I685 HydrophobicContact CG-CD1 3.98Å; L681-I685 WeakPolarHBondContact O-CG1 3.26Å; L681-I685 PolarHBondContact O-N 3.43Å; L681-W719 HydrophobicContact CD2-CZ3 4.05Å; L681-L720 HydrophobicContact CD2-CD1 4.23Å; L681-L720 HydrophobicContact CG-CD2 4.38Å; L681-L732 HydrophobicContact CD2-CD2 4.08Å; L681-K735 HydrophobicContact CD1-CB 4.2Å; L681-K735 HydrophobicContact CD2-CB 3.79Å; L681-L736 HydrophobicContact CB-CB 4.48Å; L681-L736 HydrophobicContact CD1-CB 4.16Å; L681-L739 HydrophobicContact CD1-CD1 3.65Å |
| 682 | E | 96.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.1 | -53.8 | 175.5 | -173.1 | 179.4 | -162.2 | 0 | 0 | 112.1 | A678 F684 I685 F686 L720 | A678-E682 WeakPolarHBondContact O-CB 3.34Å; A678-E682 PolarHBondContact O-N 2.89Å; E682-F684 VanDerWaalsContact C-N 3.28Å; E682-F684 PolarHBondContact O-N 3.41Å; E682-I685 WeakPolarHBondContact O-CB 3.44Å; E682-I685 PolarHBondContact O-N 3.02Å; E682-I685 VanDerWaalsContact O-N 3.08Å; E682-F686 HydrophobicContact CG-CD2 3.9Å; E682-F686 HydrophobicContact CG-CE2 3.59Å; E682-F686 WeakPolarHBondContact O-CD2 3.49Å; E682-F686 PolarHBondContact O-N 3.48Å; E682-L720 HydrophobicContact CB-CD2 3.84Å; E682-L720 HydrophobicContact CG-CD2 4.41Å |
| 683 | A | 97.7 | Very high | 95.5 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N679 I685 E687 | N679-A683 WeakPolarHBondContact O-CB 3.37Å; N679-A683 PolarHBondContact O-N 3.47Å; A683-I685 VanDerWaalsContact C-N 3.35Å; A683-E687 WeakPolarHBondContact O-CB 3.48Å; A683-E687 PolarHBondContact O-N 3.02Å |
| 684 | F | 97.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 57 Ų | 57 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 175.8 | -174.1 | -88.6 | 0 | 0 | 0 | 112.4 | S680 L681 E682 T688 L713 L736 L739 R740 C743 F747 | S680-F684 WeakPolarHBondContact O-CB 3.4Å; S680-F684 PolarHBondContact O-N 2.85Å; L681-F684 PolarHBondContact O-N 2.91Å; E682-F684 VanDerWaalsContact C-N 3.28Å; E682-F684 PolarHBondContact O-N 3.41Å; F684-T688 WeakPolarHBondContact CE1-OG1 3.39Å; F684-T688 WeakPolarHBondContact O-CB 3.49Å; F684-T688 PolarHBondContact O-N 2.89Å; F684-T688 PolarHBondContact O-OG1 3.3Å; F684-L713 HydrophobicContact CE1-CD2 4.45Å; F684-L736 HydrophobicContact CB-CD1 3.52Å; F684-L736 HydrophobicContact CD1-CD1 3.95Å; F684-L736 HydrophobicContact CD2-CD1 4.04Å; F684-L736 HydrophobicContact CG-CD1 3.54Å; F684-L739 HydrophobicContact CD1-CB 4.05Å; F684-L739 HydrophobicContact CD1-CD1 4.48Å; F684-L739 HydrophobicContact CE1-CB 3.72Å; F684-R740 HydrophobicContact CD2-CG 4.03Å; F684-R740 HydrophobicContact CE1-CG 4.2Å; F684-R740 HydrophobicContact CE2-CG 3.48Å; F684-R740 VanDerWaalsContact CE2-CG 3.48Å; F684-R740 HydrophobicContact CZ-CB 4.34Å; F684-R740 HydrophobicContact CZ-CG 3.59Å; F684-C743 HydrophobicContact CZ-CB 4.32Å; F684-F747 AromaticContact CE2-CE2 3.84Å; F684-F747 HydrophobicContact CE2-CE2 3.84Å; F684-F747 HydrophobicContact CE2-CZ 4.38Å; F684-F747 AromaticContact CZ-CE2 3.82Å; F684-F747 HydrophobicContact CZ-CE2 3.82Å; F684-F747 HydrophobicContact CZ-CZ 4.13Å |
| 685 | I | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.1 | -57.3 | 176.3 | -72.6 | 162.2 | 0 | 0 | 0 | 109.8 | L681 E682 A683 T688 Q689 L713 A716 L739 | L681-I685 HydrophobicContact CD1-CD1 3.92Å; L681-I685 HydrophobicContact CD1-CG1 4.31Å; L681-I685 HydrophobicContact CG-CD1 3.98Å; L681-I685 WeakPolarHBondContact O-CG1 3.26Å; L681-I685 PolarHBondContact O-N 3.43Å; E682-I685 WeakPolarHBondContact O-CB 3.44Å; E682-I685 PolarHBondContact O-N 3.02Å; E682-I685 VanDerWaalsContact O-N 3.08Å; A683-I685 VanDerWaalsContact C-N 3.35Å; I685-T688 PolarHBondContact O-N 2.78Å; I685-Q689 WeakPolarHBondContact O-CB 3.38Å; I685-Q689 WeakPolarHBondContact O-CG 3.44Å; I685-Q689 PolarHBondContact O-N 3.04Å; I685-L713 HydrophobicContact CG1-CD2 4.37Å; I685-L713 HydrophobicContact CG2-CB 4.39Å; I685-A716 HydrophobicContact CD1-CB 3.84Å; I685-A716 HydrophobicContact CG1-CB 4.39Å; I685-L739 HydrophobicContact CD1-CD1 4.35Å; I685-L739 HydrophobicContact CG1-CD1 3.88Å |
| 686 | F | 95.8 | Very high | 95.7 | Very high | 112 Ų | 112 | 58.7 Ų | 58.7 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | -178.3 | -68.3 | -57.9 | 0 | 0 | 0 | 113 | E682 T688 Q689 D690 | E682-F686 HydrophobicContact CG-CD2 3.9Å; E682-F686 HydrophobicContact CG-CE2 3.59Å; E682-F686 WeakPolarHBondContact O-CD2 3.49Å; E682-F686 PolarHBondContact O-N 3.48Å; F686-T688 VanDerWaalsContact C-N 3.28Å; F686-T688 PolarHBondContact O-N 3.03Å; F686-Q689 PolarHBondContact O-N 2.87Å; F686-D690 PolarHBondContact O-N 2.92Å; F686-D690 VanDerWaalsContact O-N 3.1Å |
| 687 | E | 96.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 54.4 Ų | 54.4 | 49% | 0.486 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 178.9 | -165 | -151.4 | -167 | 0 | 0 | 111.5 | A683 K691 | A683-E687 WeakPolarHBondContact O-CB 3.48Å; A683-E687 PolarHBondContact O-N 3.02Å; E687-K691 HydrophobicContact CG-CD 4.36Å; E687-K691 WeakPolarHBondContact O-CB 3.41Å; E687-K691 VanDerWaalsContact O-CD 3.3Å; E687-K691 WeakPolarHBondContact O-CD 3.48Å; E687-K691 WeakPolarHBondContact O-CG 3.39Å; E687-K691 PolarHBondContact O-N 2.9Å; E687-K691 WeakPolarHBondContact OE1-CE 3.4Å; E687-K691 IonicContact OE1-NZ 3.93Å; E687-K691 PolarHBondContact OE1-NZ 3.09Å; E687-K691 IonicContact OE2-NZ 2.68Å; E687-K691 PolarHBondContact OE2-NZ 3.32Å |
| 688 | T | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -76.6 | -37.5 | 176.5 | -52 | 0 | 0 | 0 | 0 | 112.1 | F684 I685 F686 D690 K691 L692 I709 L713 F747 | F684-T688 WeakPolarHBondContact CE1-OG1 3.39Å; F684-T688 WeakPolarHBondContact O-CB 3.49Å; F684-T688 PolarHBondContact O-N 2.89Å; F684-T688 PolarHBondContact O-OG1 3.3Å; I685-T688 PolarHBondContact O-N 2.78Å; F686-T688 VanDerWaalsContact C-N 3.28Å; F686-T688 PolarHBondContact O-N 3.03Å; T688-D690 PolarHBondContact O-N 3.4Å; T688-K691 PolarHBondContact O-N 3.29Å; T688-L692 WeakPolarHBondContact O-CG 3.47Å; T688-L692 PolarHBondContact O-N 2.97Å; T688-L692 VanDerWaalsContact O-N 3.11Å; T688-I709 HydrophobicContact CG2-CG2 4.45Å; T688-L713 HydrophobicContact CG2-CD1 3.63Å; T688-L713 HydrophobicContact CG2-CD2 4.33Å; T688-F747 HydrophobicContact CG2-CE1 4.06Å; T688-F747 HydrophobicContact CG2-CZ 3.77Å |
| 689 | Q | 95.3 | Very high | 95.5 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 175.6 | -80.8 | 175.3 | -27 | 0 | 0 | 111.4 | I685 F686 Y693 L713 | I685-Q689 WeakPolarHBondContact O-CB 3.38Å; I685-Q689 WeakPolarHBondContact O-CG 3.44Å; I685-Q689 PolarHBondContact O-N 3.04Å; F686-Q689 PolarHBondContact O-N 2.87Å; Q689-Y693 VanDerWaalsContact O-CD2 3.24Å; Q689-Y693 WeakPolarHBondContact O-CD2 3.39Å; Q689-L713 HydrophobicContact CG-CB 4.06Å; Q689-L713 HydrophobicContact CG-CD1 3.96Å |
| 690 | D | 95.1 | Very high | 95.5 | Very high | 99 Ų | 99 | 58.1 Ų | 58.1 | 53% | 0.529 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 175 | 179.4 | 81.3 | 0 | 0 | 0 | 111.8 | F686 T688 L692 Y693 Q694 | F686-D690 PolarHBondContact O-N 2.92Å; F686-D690 VanDerWaalsContact O-N 3.1Å; T688-D690 PolarHBondContact O-N 3.4Å; D690-L692 PolarHBondContact O-N 3.41Å; D690-L692 VanDerWaalsContact O-N 3.13Å; D690-Y693 PolarHBondContact O-N 3.49Å; D690-Q694 PolarHBondContact OD2-NE2 2.83Å |
| 691 | K | 95.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 15% | 0.148 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51.7 | -38.8 | 179.3 | -79.9 | 167.9 | -179.1 | 173.2 | 0 | 113.5 | E687 T688 Y693 Q694 Y697 | E687-K691 HydrophobicContact CG-CD 4.36Å; E687-K691 WeakPolarHBondContact O-CB 3.41Å; E687-K691 VanDerWaalsContact O-CD 3.3Å; E687-K691 WeakPolarHBondContact O-CD 3.48Å; E687-K691 WeakPolarHBondContact O-CG 3.39Å; E687-K691 PolarHBondContact O-N 2.9Å; E687-K691 WeakPolarHBondContact OE1-CE 3.4Å; E687-K691 IonicContact OE1-NZ 3.93Å; E687-K691 PolarHBondContact OE1-NZ 3.09Å; E687-K691 IonicContact OE2-NZ 2.68Å; E687-K691 PolarHBondContact OE2-NZ 3.32Å; T688-K691 PolarHBondContact O-N 3.29Å; K691-Y693 PolarHBondContact O-N 3.18Å; K691-Y693 VanDerWaalsContact O-N 3.09Å; K691-Q694 WeakPolarHBondContact O-CB 3.49Å; K691-Q694 PolarHBondContact O-N 2.64Å; K691-Y697 HydrophobicContact CB-CD1 4.05Å; K691-Y697 HydrophobicContact CB-CD2 4.27Å; K691-Y697 HydrophobicContact CB-CE1 3.81Å; K691-Y697 HydrophobicContact CB-CE2 4.03Å; K691-Y697 HydrophobicContact CB-CG 4.3Å; K691-Y697 HydrophobicContact CD-CE1 4.1Å; K691-Y697 WeakPolarHBondContact CD-OH 3.44Å; K691-Y697 HydrophobicContact CG-CE1 4.12Å; K691-Y697 HydrophobicContact CG-CE2 3.95Å; K691-Y697 WeakPolarHBondContact O-CB 3.06Å; K691-Y697 VanDerWaalsContact O-CD2 3.3Å; K691-Y697 WeakPolarHBondContact O-CD2 3.42Å |
| 692 | L | 94.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.8 | -179.9 | -71.8 | 170.7 | 0 | 0 | 0 | 113.9 | T688 D690 R706 I709 L713 L746 | T688-L692 WeakPolarHBondContact O-CG 3.47Å; T688-L692 PolarHBondContact O-N 2.97Å; T688-L692 VanDerWaalsContact O-N 3.11Å; D690-L692 PolarHBondContact O-N 3.41Å; D690-L692 VanDerWaalsContact O-N 3.13Å; L692-R706 HydrophobicContact CD2-CB 4.39Å; L692-R706 HydrophobicContact CD2-CG 4.14Å; L692-R706 WeakPolarHBondContact O-CD 3.49Å; L692-I709 HydrophobicContact CD1-CB 4.25Å; L692-I709 HydrophobicContact CD1-CG2 4Å; L692-I709 HydrophobicContact CD2-CB 4.27Å; L692-I709 HydrophobicContact CD2-CD1 4.31Å; L692-I709 HydrophobicContact CD2-CG2 4.18Å; L692-L713 HydrophobicContact CD1-CD1 3.97Å; L692-L746 HydrophobicContact CD2-CD2 3.65Å |
| 693 | Y | 90.6 | Very high | 94.9 | Very high | 149 Ų | 149 | 61 Ų | 61 | 58% | 0.584 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -3.6 | 179.5 | -59.5 | -79.3 | 0 | 0 | 0 | 113.9 | Q689 D690 K691 Q698 | Q689-Y693 VanDerWaalsContact O-CD2 3.24Å; Q689-Y693 WeakPolarHBondContact O-CD2 3.39Å; D690-Y693 PolarHBondContact O-N 3.49Å; K691-Y693 PolarHBondContact O-N 3.18Å; K691-Y693 VanDerWaalsContact O-N 3.09Å; Y693-Q698 PolarHBondContact O-NE2 2.9Å; Y693-Q698 VanDerWaalsContact O-NE2 3.16Å |
| 694 | Q | 95.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -75 | 142.4 | 175.4 | -62.8 | 179.1 | 9 | 0 | 0 | 111.1 | D690 K691 E696 Y697 Q698 | D690-Q694 PolarHBondContact OD2-NE2 2.83Å; K691-Q694 WeakPolarHBondContact O-CB 3.49Å; K691-Q694 PolarHBondContact O-N 2.64Å; Q694-E696 VanDerWaalsContact C-N 3.31Å; Q694-E696 PolarHBondContact O-N 2.71Å; Q694-Y697 HydrophobicContact CB-CD2 3.92Å; Q694-Y697 PolarHBondContact O-N 2.94Å; Q694-Q698 PolarHBondContact O-N 2.9Å |
| 695 | P | 94.5 | Very high | 94.5 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.3 | -40.2 | -175 | -28.9 | 35.8 | 0 | 0 | 0 | 114.7 | Y697 Q698 E699 | P695-Y697 PolarHBondContact O-N 3.1Å; P695-Q698 PolarHBondContact O-N 3.26Å; P695-E699 PolarHBondContact O-N 2.99Å |
| 696 | E | 93.9 | Very high | 94.3 | Very high | 76 Ų | 76 | 68.4 Ų | 68.4 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -32.1 | 178.4 | -62.2 | -178.3 | -137.3 | 0 | 0 | 112.9 | Q694 V750 K754 | Q694-E696 VanDerWaalsContact C-N 3.31Å; Q694-E696 PolarHBondContact O-N 2.71Å; E696-V750 HydrophobicContact CB-CG1 4.08Å; E696-K754 IonicContact OE1-NZ 3.82Å; E696-K754 PolarHBondContact OE1-NZ 2.78Å; E696-K754 IonicContact OE2-NZ 3.24Å; E696-K754 PolarHBondContact OE2-NZ 2.88Å |
| 697 | Y | 95.3 | Very high | 94.2 | Very high | 26 Ų | 26 | 69.4 Ų | 69.4 | 10% | 0.102 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -88.8 | -34.3 | 179.8 | -67.5 | -104.8 | 0 | 0 | 0 | 111.5 | K691 Q694 P695 V700 S701 L746 F747 V750 | K691-Y697 HydrophobicContact CB-CD1 4.05Å; K691-Y697 HydrophobicContact CB-CD2 4.27Å; K691-Y697 HydrophobicContact CB-CE1 3.81Å; K691-Y697 HydrophobicContact CB-CE2 4.03Å; K691-Y697 HydrophobicContact CB-CG 4.3Å; K691-Y697 HydrophobicContact CD-CE1 4.1Å; K691-Y697 WeakPolarHBondContact CD-OH 3.44Å; K691-Y697 HydrophobicContact CG-CE1 4.12Å; K691-Y697 HydrophobicContact CG-CE2 3.95Å; K691-Y697 WeakPolarHBondContact O-CB 3.06Å; K691-Y697 VanDerWaalsContact O-CD2 3.3Å; K691-Y697 WeakPolarHBondContact O-CD2 3.42Å; Q694-Y697 HydrophobicContact CB-CD2 3.92Å; Q694-Y697 PolarHBondContact O-N 2.94Å; P695-Y697 PolarHBondContact O-N 3.1Å; Y697-V700 WeakPolarHBondContact O-CG2 3.46Å; Y697-V700 PolarHBondContact O-N 3.31Å; Y697-S701 WeakPolarHBondContact O-CB 3.35Å; Y697-S701 PolarHBondContact O-N 2.98Å; Y697-S701 PolarHBondContact O-OG 3.32Å; Y697-L746 HydrophobicContact CD1-CD1 4.4Å; Y697-L746 HydrophobicContact CD1-CD2 4.18Å; Y697-L746 HydrophobicContact CD1-CG 4.1Å; Y697-F747 HydrophobicContact CD1-CD1 4.45Å; Y697-F747 AromaticContact CE1-CD1 3.76Å; Y697-F747 HydrophobicContact CE1-CD1 3.76Å; Y697-F747 AromaticContact CE1-CE1 3.91Å; Y697-F747 HydrophobicContact CE1-CE1 3.91Å; Y697-V750 HydrophobicContact CD1-CG2 3.7Å; Y697-V750 HydrophobicContact CD2-CG1 4.45Å; Y697-V750 HydrophobicContact CD2-CG2 4.26Å; Y697-V750 HydrophobicContact CE1-CB 4.45Å; Y697-V750 HydrophobicContact CE1-CG2 3.89Å; Y697-V750 HydrophobicContact CE2-CG1 4.07Å; Y697-V750 HydrophobicContact CE2-CG2 4.45Å; Y697-V750 HydrophobicContact CG-CG2 3.88Å |
| 698 | Q | 94.2 | Very high | 94.2 | Very high | 83 Ų | 83 | 69.8 Ų | 69.8 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.4 | -70.2 | -179 | -15.2 | 0 | 0 | 112 | Y693 Q694 P695 V700 S701 R706 | Y693-Q698 PolarHBondContact O-NE2 2.9Å; Y693-Q698 VanDerWaalsContact O-NE2 3.16Å; Q694-Q698 PolarHBondContact O-N 2.9Å; P695-Q698 PolarHBondContact O-N 3.26Å; Q698-V700 VanDerWaalsContact C-N 3.26Å; Q698-V700 PolarHBondContact O-N 2.8Å; Q698-S701 PolarHBondContact O-N 3Å; Q698-R706 PolarHBondContact O-NH1 2.83Å |
| 699 | E | 93.2 | Very high | 94.2 | Very high | 110 Ų | 110 | 69.9 Ų | 69.9 | 51% | 0.514 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.6 | -38.8 | 176.7 | -168.5 | -163 | 123.2 | 0 | 0 | 112.4 | P695 R753 A818 | P695-E699 PolarHBondContact O-N 2.99Å; E699-R753 WeakPolarHBondContact OE1-CD 3.48Å; E699-R753 IonicContact OE1-CZ 2.95Å; E699-R753 IonicContact OE1-NE 2.91Å; E699-R753 IonicContact OE1-NH1 2.69Å; E699-R753 PolarHBondContact OE1-NH1 3.45Å; E699-A818 HydrophobicContact CG-CB 4.23Å; E699-A818 VanDerWaalsContact O-CB 3.24Å; E699-A818 WeakPolarHBondContact O-CB 3.39Å |
| 700 | V | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 10.6 | -173.9 | -58.1 | 0 | 0 | 0 | 0 | 114.4 | Y697 Q698 L746 R749 V750 R753 A818 | Y697-V700 WeakPolarHBondContact O-CG2 3.46Å; Y697-V700 PolarHBondContact O-N 3.31Å; Q698-V700 VanDerWaalsContact C-N 3.26Å; Q698-V700 PolarHBondContact O-N 2.8Å; V700-L746 HydrophobicContact CG2-CD1 3.62Å; V700-R749 HydrophobicContact CB-CB 3.83Å; V700-R749 HydrophobicContact CG1-CB 4.02Å; V700-R749 HydrophobicContact CG2-CB 4.08Å; V700-R749 PolarHBondContact O-NE 2.69Å; V700-R749 PolarHBondContact O-NH1 2.7Å; V700-R749 VanDerWaalsContact O-NH1 3.11Å; V700-R749 PolarHBondContact O-NH2 3.26Å; V700-R749 VanDerWaalsContact O-NH2 3.12Å; V700-V750 HydrophobicContact CG2-CG2 3.51Å; V700-R753 VanDerWaalsContact CG1-CD 3.43Å; V700-A818 WeakPolarHBondContact CA-O 3.37Å; V700-A818 WeakPolarHBondContact CB-O 3.31Å |
| 701 | S | 94.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 66 Ų | 66 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | trans | -134.2 | 150.2 | -178.9 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | Y697 Q698 R706 | Y697-S701 WeakPolarHBondContact O-CB 3.35Å; Y697-S701 PolarHBondContact O-N 2.98Å; Y697-S701 PolarHBondContact O-OG 3.32Å; Q698-S701 PolarHBondContact O-N 3Å; S701-R706 PolarHBondContact O-NH1 2.88Å; S701-R706 WeakPolarHBondContact OG-CD 3.28Å; S701-R706 VanDerWaalsContact OG-CG 3.32Å; S701-R706 WeakPolarHBondContact OG-CG 3.44Å; S701-R706 PolarHBondContact OG-NH1 2.81Å | ||
| 702 | T | 93.3 | Very high | 94.4 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 36% | 0.362 | 34% | 0.344 | S | S | . | . | trans | -82.4 | 164.9 | 165.1 | 79.3 | 0 | 0 | 0 | 0 | 109.8 | E704 Q705 R706 T819 | T702-E704 WeakPolarHBondContact CB-OE2 3.31Å; T702-E704 PolarHBondContact OG1-OE2 3.17Å; T702-Q705 PolarHBondContact O-N 2.87Å; T702-Q705 PolarHBondContact OG1-N 2.86Å; T702-R706 PolarHBondContact O-N 2.84Å; T702-R706 VanDerWaalsContact O-N 3.15Å; T702-R706 PolarHBondContact O-NH1 2.76Å; T702-T819 HydrophobicContact CG2-CG2 4.01Å | ||
| 703 | E | 91.7 | Very high | 94.5 | Very high | 131 Ų | 131 | 69.9 Ų | 69.9 | 61% | 0.612 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66 | -43.9 | 179.7 | -170.2 | 151.7 | -133.9 | 0 | 0 | 111.4 | Q705 R706 E707 | E703-Q705 VanDerWaalsContact C-N 3.28Å; E703-Q705 PolarHBondContact O-N 3.36Å; E703-R706 WeakPolarHBondContact O-CA 3.41Å; E703-R706 WeakPolarHBondContact O-CB 3.34Å; E703-R706 PolarHBondContact O-N 3Å; E703-E707 WeakPolarHBondContact O-CG 3.42Å; E703-E707 PolarHBondContact O-N 3.22Å |
| 704 | E | 92.9 | Very high | 94.8 | Very high | 128 Ų | 128 | 65 Ų | 65 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.4 | -35.2 | 177.5 | -42.7 | 85.4 | 164 | 0 | 0 | 111.7 | T702 E707 E708 | T702-E704 WeakPolarHBondContact CB-OE2 3.31Å; T702-E704 PolarHBondContact OG1-OE2 3.17Å; E704-E707 PolarHBondContact O-N 2.64Å; E704-E708 PolarHBondContact O-N 2.78Å |
| 705 | Q | 93 | Very high | 94.9 | Very high | 62 Ų | 62 | 64.8 Ų | 64.8 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.2 | -36.7 | 173.8 | 176.8 | 165.4 | 67.1 | 0 | 0 | 111.9 | T702 E703 I709 R749 | T702-Q705 PolarHBondContact O-N 2.87Å; T702-Q705 PolarHBondContact OG1-N 2.86Å; E703-Q705 VanDerWaalsContact C-N 3.28Å; E703-Q705 PolarHBondContact O-N 3.36Å; Q705-I709 HydrophobicContact CG-CD1 4.01Å; Q705-I709 WeakPolarHBondContact O-CD1 3.39Å; Q705-I709 WeakPolarHBondContact O-CG1 3.27Å; Q705-I709 PolarHBondContact O-N 3.27Å; Q705-R749 VanDerWaalsContact OE1-NH1 3.08Å |
| 706 | R | 94.3 | Very high | 95 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 16% | 0.158 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 174.1 | -68.3 | -174.3 | -68.1 | -88.8 | 3.8 | 111.2 | L692 Q698 S701 T702 E703 I709 S710 | L692-R706 HydrophobicContact CD2-CB 4.39Å; L692-R706 HydrophobicContact CD2-CG 4.14Å; L692-R706 WeakPolarHBondContact O-CD 3.49Å; Q698-R706 PolarHBondContact O-NH1 2.83Å; S701-R706 PolarHBondContact O-NH1 2.88Å; S701-R706 WeakPolarHBondContact OG-CD 3.28Å; S701-R706 VanDerWaalsContact OG-CG 3.32Å; S701-R706 WeakPolarHBondContact OG-CG 3.44Å; S701-R706 PolarHBondContact OG-NH1 2.81Å; T702-R706 PolarHBondContact O-N 2.84Å; T702-R706 VanDerWaalsContact O-N 3.15Å; T702-R706 PolarHBondContact O-NH1 2.76Å; E703-R706 WeakPolarHBondContact O-CA 3.41Å; E703-R706 WeakPolarHBondContact O-CB 3.34Å; E703-R706 PolarHBondContact O-N 3Å; R706-I709 PolarHBondContact O-N 2.83Å; R706-S710 WeakPolarHBondContact O-CB 3.4Å; R706-S710 PolarHBondContact O-N 3.35Å |
| 707 | E | 94.4 | Very high | 95.1 | Very high | 133 Ų | 133 | 57.6 Ų | 57.6 | 62% | 0.621 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 175.6 | -70.8 | -171.4 | 148.7 | 0 | 0 | 112.4 | E703 E704 I709 S710 G711 | E703-E707 WeakPolarHBondContact O-CG 3.42Å; E703-E707 PolarHBondContact O-N 3.22Å; E704-E707 PolarHBondContact O-N 2.64Å; E707-I709 PolarHBondContact O-N 3.21Å; E707-S710 PolarHBondContact O-N 3.32Å; E707-G711 PolarHBondContact O-N 2.74Å |
| 708 | E | 95.5 | Very high | 95.1 | Very high | 111 Ų | 111 | 59.9 Ų | 59.9 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59 | -49.7 | 175.8 | -173.3 | -173.4 | -175.7 | 0 | 0 | 110.8 | E704 G711 K712 | E704-E708 PolarHBondContact O-N 2.78Å; E708-G711 PolarHBondContact O-N 2.68Å; E708-K712 VanDerWaalsContact O-CG 3.28Å; E708-K712 WeakPolarHBondContact O-CG 3.48Å; E708-K712 PolarHBondContact O-N 2.86Å |
| 709 | I | 96.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -48.2 | -179.6 | -61.5 | 167.9 | 0 | 0 | 0 | 110.1 | T688 L692 Q705 R706 E707 G711 K712 L713 L742 L746 | T688-I709 HydrophobicContact CG2-CG2 4.45Å; L692-I709 HydrophobicContact CD1-CB 4.25Å; L692-I709 HydrophobicContact CD1-CG2 4Å; L692-I709 HydrophobicContact CD2-CB 4.27Å; L692-I709 HydrophobicContact CD2-CD1 4.31Å; L692-I709 HydrophobicContact CD2-CG2 4.18Å; Q705-I709 HydrophobicContact CG-CD1 4.01Å; Q705-I709 WeakPolarHBondContact O-CD1 3.39Å; Q705-I709 WeakPolarHBondContact O-CG1 3.27Å; Q705-I709 PolarHBondContact O-N 3.27Å; R706-I709 PolarHBondContact O-N 2.83Å; E707-I709 PolarHBondContact O-N 3.21Å; I709-G711 VanDerWaalsContact C-N 3.34Å; I709-G711 PolarHBondContact O-N 3.42Å; I709-K712 PolarHBondContact O-N 2.89Å; I709-K712 VanDerWaalsContact O-N 3.12Å; I709-L713 HydrophobicContact CG2-CD1 3.78Å; I709-L713 HydrophobicContact CG2-CG 4.19Å; I709-L713 VanDerWaalsContact O-CG 3.26Å; I709-L713 WeakPolarHBondContact O-CG 3.45Å; I709-L713 PolarHBondContact O-N 3.47Å; I709-L742 HydrophobicContact CB-CD2 4.47Å; I709-L742 HydrophobicContact CG1-CD2 4.16Å; I709-L742 HydrophobicContact CG1-CG 4.14Å; I709-L742 HydrophobicContact CG2-CD2 4.45Å; I709-L746 HydrophobicContact CD1-CD2 3.92Å |
| 710 | S | 96.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 53.7 Ų | 53.7 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 179 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | R706 E707 K712 L713 S714 | R706-S710 WeakPolarHBondContact O-CB 3.4Å; R706-S710 PolarHBondContact O-N 3.35Å; E707-S710 PolarHBondContact O-N 3.32Å; S710-K712 PolarHBondContact O-N 2.78Å; S710-L713 PolarHBondContact O-N 3.35Å; S710-S714 WeakPolarHBondContact O-CB 3.26Å; S710-S714 PolarHBondContact O-N 2.88Å; S710-S714 PolarHBondContact O-OG 3.3Å |
| 711 | G | 96.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E707 E708 I709 A715 | E707-G711 PolarHBondContact O-N 2.74Å; E708-G711 PolarHBondContact O-N 2.68Å; I709-G711 VanDerWaalsContact C-N 3.34Å; I709-G711 PolarHBondContact O-N 3.42Å; G711-A715 WeakPolarHBondContact O-CB 3.43Å; G711-A715 PolarHBondContact O-N 3.48Å |
| 712 | K | 97.4 | Very high | 94.9 | Very high | 116 Ų | 116 | 65.3 Ų | 65.3 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 175 | -67.5 | -66.2 | -178.4 | -172.9 | 0 | 112.9 | E708 I709 S710 A716 L739 L742 | E708-K712 VanDerWaalsContact O-CG 3.28Å; E708-K712 WeakPolarHBondContact O-CG 3.48Å; E708-K712 PolarHBondContact O-N 2.86Å; I709-K712 PolarHBondContact O-N 2.89Å; I709-K712 VanDerWaalsContact O-N 3.12Å; S710-K712 PolarHBondContact O-N 2.78Å; K712-A716 WeakPolarHBondContact O-CB 3.41Å; K712-A716 PolarHBondContact O-N 2.85Å; K712-A716 VanDerWaalsContact O-N 3.08Å; K712-L739 HydrophobicContact CB-CD2 4.29Å; K712-L742 HydrophobicContact CB-CD2 3.71Å; K712-L742 HydrophobicContact CG-CD2 3.75Å |
| 713 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 174.6 | -66.1 | 167.4 | 0 | 0 | 0 | 110.8 | F684 I685 T688 Q689 L692 I709 S710 A716 S717 L739 | F684-L713 HydrophobicContact CE1-CD2 4.45Å; I685-L713 HydrophobicContact CG1-CD2 4.37Å; I685-L713 HydrophobicContact CG2-CB 4.39Å; T688-L713 HydrophobicContact CG2-CD1 3.63Å; T688-L713 HydrophobicContact CG2-CD2 4.33Å; Q689-L713 HydrophobicContact CG-CB 4.06Å; Q689-L713 HydrophobicContact CG-CD1 3.96Å; L692-L713 HydrophobicContact CD1-CD1 3.97Å; I709-L713 HydrophobicContact CG2-CD1 3.78Å; I709-L713 HydrophobicContact CG2-CG 4.19Å; I709-L713 VanDerWaalsContact O-CG 3.26Å; I709-L713 WeakPolarHBondContact O-CG 3.45Å; I709-L713 PolarHBondContact O-N 3.47Å; S710-L713 PolarHBondContact O-N 3.35Å; L713-A716 WeakPolarHBondContact O-CB 3.49Å; L713-A716 PolarHBondContact O-N 2.76Å; L713-A716 VanDerWaalsContact O-N 3.14Å; L713-S717 PolarHBondContact O-N 3.09Å; L713-L739 HydrophobicContact CD2-CD1 4.16Å; L713-L739 HydrophobicContact CD2-CD2 4.08Å |
| 714 | S | 96.6 | Very high | 94.3 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 179.1 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | S710 A716 S717 T718 | S710-S714 WeakPolarHBondContact O-CB 3.26Å; S710-S714 PolarHBondContact O-N 2.88Å; S710-S714 PolarHBondContact O-OG 3.3Å; S714-A716 PolarHBondContact O-N 2.82Å; S714-S717 WeakPolarHBondContact O-CB 3.45Å; S714-S717 PolarHBondContact O-N 2.84Å; S714-S717 VanDerWaalsContact O-N 3.09Å; S714-T718 PolarHBondContact O-N 3.29Å; S714-T718 PolarHBondContact O-OG1 2.84Å |
| 715 | A | 96.5 | Very high | 93.8 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 51% | 0.512 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -29.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | G711 W719 | G711-A715 WeakPolarHBondContact O-CB 3.43Å; G711-A715 PolarHBondContact O-N 3.48Å; A715-W719 VanDerWaalsContact O-CB 3.3Å; A715-W719 WeakPolarHBondContact O-CB 3.36Å; A715-W719 PolarHBondContact O-N 3.37Å; A715-W719 VanDerWaalsContact O-N 3.13Å |
| 716 | A | 96.2 | Very high | 93.5 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -76 | -30.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | I685 K712 L713 S714 L720 L739 | I685-A716 HydrophobicContact CD1-CB 3.84Å; I685-A716 HydrophobicContact CG1-CB 4.39Å; K712-A716 WeakPolarHBondContact O-CB 3.41Å; K712-A716 PolarHBondContact O-N 2.85Å; K712-A716 VanDerWaalsContact O-N 3.08Å; L713-A716 WeakPolarHBondContact O-CB 3.49Å; L713-A716 PolarHBondContact O-N 2.76Å; L713-A716 VanDerWaalsContact O-N 3.14Å; S714-A716 PolarHBondContact O-N 2.82Å; A716-L720 VanDerWaalsContact O-CB 3.31Å; A716-L720 WeakPolarHBondContact O-CB 3.32Å; A716-L720 PolarHBondContact O-N 3.37Å; A716-L739 HydrophobicContact CB-CD1 3.8Å; A716-L739 HydrophobicContact CB-CD2 4.34Å |
| 717 | S | 95.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 60 Ų | 60 | 13% | 0.133 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.8 | -55.3 | 171.3 | -162.3 | 0 | 0 | 0 | 0 | 110.5 | L713 S714 W719 L720 E721 | L713-S717 PolarHBondContact O-N 3.09Å; S714-S717 WeakPolarHBondContact O-CB 3.45Å; S714-S717 PolarHBondContact O-N 2.84Å; S714-S717 VanDerWaalsContact O-N 3.09Å; S717-W719 VanDerWaalsContact C-N 3.26Å; S717-W719 PolarHBondContact O-N 2.86Å; S717-L720 WeakPolarHBondContact O-CA 3.49Å; S717-L720 WeakPolarHBondContact O-CB 3.48Å; S717-L720 PolarHBondContact O-N 3.42Å; S717-E721 WeakPolarHBondContact CB-OE1 3.11Å; S717-E721 WeakPolarHBondContact O-CG 3.29Å; S717-E721 PolarHBondContact O-N 3.33Å; S717-E721 PolarHBondContact OG-OE1 3.15Å |
| 718 | T | 95.7 | Very high | 93.3 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57 | -40.9 | 178.1 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | S714 L720 E721 D722 | S714-T718 PolarHBondContact O-N 3.29Å; S714-T718 PolarHBondContact O-OG1 2.84Å; T718-L720 PolarHBondContact O-N 2.88Å; T718-E721 PolarHBondContact O-N 3.41Å; T718-D722 WeakPolarHBondContact O-CB 3.42Å; T718-D722 PolarHBondContact O-N 3.15Å |
| 719 | W | 96 | Very high | 93.3 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 173.5 | 177.1 | 82.4 | 0 | 0 | 0 | 113.3 | L681 A715 S717 E721 E723 G724 A727 M731 L732 K735 | L681-W719 HydrophobicContact CD2-CZ3 4.05Å; A715-W719 VanDerWaalsContact O-CB 3.3Å; A715-W719 WeakPolarHBondContact O-CB 3.36Å; A715-W719 PolarHBondContact O-N 3.37Å; A715-W719 VanDerWaalsContact O-N 3.13Å; S717-W719 VanDerWaalsContact C-N 3.26Å; S717-W719 PolarHBondContact O-N 2.86Å; W719-E721 VanDerWaalsContact C-N 3.34Å; W719-E723 HydrophobicContact CG-CB 4.45Å; W719-E723 PolarHBondContact NE1-OE2 2.94Å; W719-E723 CarbonylContact O-C 3.52Å; W719-E723 WeakPolarHBondContact O-CA 3.39Å; W719-E723 WeakPolarHBondContact O-CB 3.25Å; W719-E723 PolarHBondContact O-N 3.38Å; W719-G724 PolarHBondContact O-N 2.9Å; W719-A727 HydrophobicContact CH2-CB 3.57Å; W719-A727 HydrophobicContact CZ2-CB 3.9Å; W719-M731 HydrophobicContact CZ2-CE 4.26Å; W719-L732 HydrophobicContact CH2-CD2 4.15Å; W719-L732 HydrophobicContact CZ3-CD2 4.04Å; W719-K735 HydrophobicContact CE3-CD 4.28Å; W719-K735 HydrophobicContact CE3-CG 4.13Å; W719-K735 HydrophobicContact CH2-CG 4.01Å; W719-K735 HydrophobicContact CZ3-CB 4.42Å; W719-K735 HydrophobicContact CZ3-CD 4.44Å; W719-K735 HydrophobicContact CZ3-CG 3.78Å |
| 720 | L | 93.9 | Very high | 93.3 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69 | -34.5 | 177.2 | -176 | 61.5 | 0 | 0 | 0 | 111.9 | A678 L681 E682 A716 S717 T718 G724 L732 | A678-L720 HydrophobicContact CB-CD1 4.46Å; L681-L720 HydrophobicContact CD2-CD1 4.23Å; L681-L720 HydrophobicContact CG-CD2 4.38Å; E682-L720 HydrophobicContact CB-CD2 3.84Å; E682-L720 HydrophobicContact CG-CD2 4.41Å; A716-L720 VanDerWaalsContact O-CB 3.31Å; A716-L720 WeakPolarHBondContact O-CB 3.32Å; A716-L720 PolarHBondContact O-N 3.37Å; S717-L720 WeakPolarHBondContact O-CA 3.49Å; S717-L720 WeakPolarHBondContact O-CB 3.48Å; S717-L720 PolarHBondContact O-N 3.42Å; T718-L720 PolarHBondContact O-N 2.88Å; L720-G724 VanDerWaalsContact O-CA 3.24Å; L720-G724 WeakPolarHBondContact O-CA 3.47Å; L720-G724 PolarHBondContact O-N 2.93Å; L720-L732 HydrophobicContact CD1-CD2 3.79Å |
| 721 | E | 91.3 | Very high | 93.3 | Very high | 123 Ų | 123 | 60.2 Ų | 60.2 | 58% | 0.575 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.2 | -49.8 | 175.9 | -67.7 | 159.3 | -124.4 | 0 | 0 | 111.9 | S717 T718 W719 | S717-E721 WeakPolarHBondContact CB-OE1 3.11Å; S717-E721 WeakPolarHBondContact O-CG 3.29Å; S717-E721 PolarHBondContact O-N 3.33Å; S717-E721 PolarHBondContact OG-OE1 3.15Å; T718-E721 PolarHBondContact O-N 3.41Å; W719-E721 VanDerWaalsContact C-N 3.34Å |
| 722 | D | 90.8 | Very high | 93.3 | Very high | 130 Ų | 130 | 58.3 Ų | 58.3 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -81.4 | -51.4 | -175.8 | -74.9 | -34.5 | 0 | 0 | 0 | 113.6 | T718 | T718-D722 WeakPolarHBondContact O-CB 3.42Å; T718-D722 PolarHBondContact O-N 3.15Å |
| 723 | E | 90.1 | Very high | 93.2 | Very high | 120 Ų | 120 | 57.2 Ų | 57.2 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -29.2 | -174.4 | -68.9 | -178.8 | -138.7 | 0 | 0 | 113 | W719 V725 G726 A727 | W719-E723 HydrophobicContact CG-CB 4.45Å; W719-E723 PolarHBondContact NE1-OE2 2.94Å; W719-E723 CarbonylContact O-C 3.52Å; W719-E723 WeakPolarHBondContact O-CA 3.39Å; W719-E723 WeakPolarHBondContact O-CB 3.25Å; W719-E723 PolarHBondContact O-N 3.38Å; E723-V725 PolarHBondContact O-N 3.34Å; E723-V725 VanDerWaalsContact O-N 3.12Å; E723-G726 PolarHBondContact O-N 3.34Å; E723-A727 PolarHBondContact O-N 3Å |
| 724 | G | 82.3 | Confident | 93.2 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -25.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | R674 W719 L720 G726 A727 | R674-G724 PolarHBondContact NH1-O 3.47Å; R674-G724 VanDerWaalsContact NH1-O 3.09Å; W719-G724 PolarHBondContact O-N 2.9Å; L720-G724 VanDerWaalsContact O-CA 3.24Å; L720-G724 WeakPolarHBondContact O-CA 3.47Å; L720-G724 PolarHBondContact O-N 2.93Å; G724-G726 VanDerWaalsContact C-N 3.26Å; G724-G726 PolarHBondContact O-N 3.43Å; G724-A727 PolarHBondContact O-N 3.49Å; G724-A727 VanDerWaalsContact O-N 3.16Å |
| 725 | V | 82.4 | Confident | 93.2 | Very high | 112 Ų | 112 | 63.4 Ų | 63.4 | 68% | 0.679 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -42.9 | 171.5 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | R674 E723 | R674-V725 PolarHBondContact NH1-O 3.47Å; R674-V725 VanDerWaalsContact NH1-O 3.08Å; R674-V725 PolarHBondContact NH2-O 3.23Å; E723-V725 PolarHBondContact O-N 3.34Å; E723-V725 VanDerWaalsContact O-N 3.12Å |
| 726 | G | 86.3 | Confident | 93.3 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 73% | 0.732 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -7.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | E723 G724 | E723-G726 PolarHBondContact O-N 3.34Å; G724-G726 VanDerWaalsContact C-N 3.26Å; G724-G726 PolarHBondContact O-N 3.43Å |
| 727 | A | 91.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | trans | -68.1 | 142.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R674 W719 E723 G724 M731 L732 | R674-A727 WeakPolarHBondContact CD-O 2.99Å; R674-A727 PolarHBondContact NH1-O 2.89Å; W719-A727 HydrophobicContact CH2-CB 3.57Å; W719-A727 HydrophobicContact CZ2-CB 3.9Å; E723-A727 PolarHBondContact O-N 3Å; G724-A727 PolarHBondContact O-N 3.49Å; G724-A727 VanDerWaalsContact O-N 3.16Å; A727-M731 HydrophobicContact CB-CB 4.46Å; A727-M731 HydrophobicContact CB-CE 4.41Å; A727-L732 HydrophobicContact CB-CD2 4.09Å; A727-L732 HydrophobicContact CB-CG 4.1Å | ||
| 728 | T | 94.4 | Very high | 93.4 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | trans | -76.6 | 157.6 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 112 | V730 M731 L732 | T728-V730 PolarHBondContact O-N 3.28Å; T728-V730 VanDerWaalsContact O-N 3.11Å; T728-M731 HydrophobicContact CG2-SD 4.02Å; T728-M731 PolarHBondContact O-N 3.3Å; T728-M731 VanDerWaalsContact O-N 3.1Å; T728-M731 VanDerWaalsContact OG1-CG 3.31Å; T728-M731 WeakPolarHBondContact OG1-CG 3.41Å; T728-M731 PolarHBondContact OG1-N 3.33Å; T728-M731 PolarHBondContact OG1-SD 2.91Å; T728-M731 VanDerWaalsContact OG1-SD 3.36Å; T728-L732 WeakPolarHBondContact O-CG 3.24Å; T728-L732 PolarHBondContact O-N 3.26Å | ||
| 729 | T | 94.4 | Very high | 93.5 | Very high | 35 Ų | 35 | 64.9 Ų | 64.9 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.4 | -28.5 | 175.3 | -45.2 | 0 | 0 | 0 | 0 | 113.1 | E673 R674 A677 K733 | E673-T729 HydrophobicContact CB-CG2 4.39Å; E673-T729 WeakPolarHBondContact O-CG2 3.36Å; R674-T729 WeakPolarHBondContact CA-OG1 3.42Å; R674-T729 VanDerWaalsContact CB-OG1 3.29Å; R674-T729 WeakPolarHBondContact CB-OG1 3.19Å; R674-T729 WeakPolarHBondContact CG-OG1 3.13Å; A677-T729 HydrophobicContact CB-CG2 4.16Å; T729-K733 HydrophobicContact CG2-CD 4.16Å; T729-K733 WeakPolarHBondContact O-CB 3.46Å; T729-K733 WeakPolarHBondContact O-CD 3.36Å; T729-K733 VanDerWaalsContact O-CG 3.24Å; T729-K733 WeakPolarHBondContact O-CG 3.47Å; T729-K733 PolarHBondContact O-N 3.44Å |
| 730 | V | 96.3 | Very high | 93.5 | Very high | 89 Ų | 89 | 69.5 Ų | 69.5 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.1 | -53.7 | 175.1 | -180 | 0 | 0 | 0 | 0 | 110.2 | T728 L732 K733 E734 | T728-V730 PolarHBondContact O-N 3.28Å; T728-V730 VanDerWaalsContact O-N 3.11Å; V730-L732 VanDerWaalsContact C-N 3.29Å; V730-L732 PolarHBondContact O-N 2.91Å; V730-K733 CarbonylContact O-C 3.55Å; V730-K733 PolarHBondContact O-N 2.9Å; V730-E734 HydrophobicContact CG1-CG 4.24Å; V730-E734 WeakPolarHBondContact O-CG 3.44Å; V730-E734 PolarHBondContact O-N 2.8Å |
| 731 | M | 95.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 76.2 Ų | 76.2 | 38% | 0.384 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | -179.6 | -65.3 | 159.3 | 71.9 | 0 | 0 | 112.3 | W719 A727 T728 E734 K735 | W719-M731 HydrophobicContact CZ2-CE 4.26Å; A727-M731 HydrophobicContact CB-CB 4.46Å; A727-M731 HydrophobicContact CB-CE 4.41Å; T728-M731 HydrophobicContact CG2-SD 4.02Å; T728-M731 PolarHBondContact O-N 3.3Å; T728-M731 VanDerWaalsContact O-N 3.1Å; T728-M731 VanDerWaalsContact OG1-CG 3.31Å; T728-M731 WeakPolarHBondContact OG1-CG 3.41Å; T728-M731 PolarHBondContact OG1-N 3.33Å; T728-M731 PolarHBondContact OG1-SD 2.91Å; T728-M731 VanDerWaalsContact OG1-SD 3.36Å; M731-E734 PolarHBondContact O-N 3.1Å; M731-K735 WeakPolarHBondContact O-CB 3.45Å; M731-K735 WeakPolarHBondContact O-CG 3.32Å; M731-K735 PolarHBondContact O-N 3.36Å |
| 732 | L | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.2 | -66.6 | 166 | 0 | 0 | 0 | 111.9 | R674 A677 A678 L681 W719 L720 A727 T728 V730 L736 | R674-L732 HydrophobicContact CG-CD1 3.85Å; A677-L732 HydrophobicContact CB-CB 3.91Å; A677-L732 HydrophobicContact CB-CD1 4.3Å; A678-L732 HydrophobicContact CB-CD1 4.06Å; A678-L732 HydrophobicContact CB-CD2 4.3Å; L681-L732 HydrophobicContact CD2-CD2 4.08Å; W719-L732 HydrophobicContact CH2-CD2 4.15Å; W719-L732 HydrophobicContact CZ3-CD2 4.04Å; L720-L732 HydrophobicContact CD1-CD2 3.79Å; A727-L732 HydrophobicContact CB-CD2 4.09Å; A727-L732 HydrophobicContact CB-CG 4.1Å; T728-L732 WeakPolarHBondContact O-CG 3.24Å; T728-L732 PolarHBondContact O-N 3.26Å; V730-L732 VanDerWaalsContact C-N 3.29Å; V730-L732 PolarHBondContact O-N 2.91Å; L732-L736 WeakPolarHBondContact O-CB 3.37Å; L732-L736 PolarHBondContact O-N 2.97Å; L732-L736 VanDerWaalsContact O-N 3.09Å |
| 733 | K | 97 | Very high | 94.1 | Very high | 93 Ų | 93 | 67 Ų | 67 | 40% | 0.404 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.4 | -32.4 | 177.3 | -71.9 | 174.4 | -177.8 | 177.2 | 0 | 112.2 | E673 A677 T729 V730 A737 | E673-K733 IonicContact OE2-NZ 2.68Å; E673-K733 PolarHBondContact OE2-NZ 2.77Å; A677-K733 HydrophobicContact CB-CD 4.5Å; A677-K733 HydrophobicContact CB-CG 3.95Å; T729-K733 HydrophobicContact CG2-CD 4.16Å; T729-K733 WeakPolarHBondContact O-CB 3.46Å; T729-K733 WeakPolarHBondContact O-CD 3.36Å; T729-K733 VanDerWaalsContact O-CG 3.24Å; T729-K733 WeakPolarHBondContact O-CG 3.47Å; T729-K733 PolarHBondContact O-N 3.44Å; V730-K733 CarbonylContact O-C 3.55Å; V730-K733 PolarHBondContact O-N 2.9Å; K733-A737 WeakPolarHBondContact O-CB 3.45Å; K733-A737 PolarHBondContact O-N 3.46Å |
| 734 | E | 97.2 | Very high | 94.3 | Very high | 113 Ų | 113 | 67.8 Ų | 67.8 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.8 | -47.9 | 173.1 | -73.4 | 176.2 | 149.4 | 0 | 0 | 111.6 | V730 M731 L736 A737 E738 | V730-E734 HydrophobicContact CG1-CG 4.24Å; V730-E734 WeakPolarHBondContact O-CG 3.44Å; V730-E734 PolarHBondContact O-N 2.8Å; M731-E734 PolarHBondContact O-N 3.1Å; E734-L736 VanDerWaalsContact C-N 3.31Å; E734-L736 PolarHBondContact O-N 2.88Å; E734-A737 CarbonylContact O-C 3.52Å; E734-A737 WeakPolarHBondContact O-CA 3.34Å; E734-A737 WeakPolarHBondContact O-CB 3.4Å; E734-A737 PolarHBondContact O-N 2.89Å; E734-E738 WeakPolarHBondContact O-CG 3.34Å; E734-E738 PolarHBondContact O-N 2.99Å |
| 735 | K | 96.6 | Very high | 94.9 | Very high | 63 Ų | 63 | 69.6 Ų | 69.6 | 27% | 0.274 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -55.9 | -44.4 | 173.9 | -77.6 | -77.3 | 161.4 | -142.7 | 0 | 112.4 | L681 W719 M731 A737 E738 L739 | L681-K735 HydrophobicContact CD1-CB 4.2Å; L681-K735 HydrophobicContact CD2-CB 3.79Å; W719-K735 HydrophobicContact CE3-CD 4.28Å; W719-K735 HydrophobicContact CE3-CG 4.13Å; W719-K735 HydrophobicContact CH2-CG 4.01Å; W719-K735 HydrophobicContact CZ3-CB 4.42Å; W719-K735 HydrophobicContact CZ3-CD 4.44Å; W719-K735 HydrophobicContact CZ3-CG 3.78Å; M731-K735 WeakPolarHBondContact O-CB 3.45Å; M731-K735 WeakPolarHBondContact O-CG 3.32Å; M731-K735 PolarHBondContact O-N 3.36Å; K735-A737 VanDerWaalsContact C-N 3.31Å; K735-A737 PolarHBondContact O-N 2.93Å; K735-E738 IonicContact NZ-OE2 3.93Å; K735-E738 PolarHBondContact NZ-OE2 2.84Å; K735-E738 PolarHBondContact O-N 2.65Å; K735-L739 WeakPolarHBondContact O-CG 3.17Å; K735-L739 PolarHBondContact O-N 2.87Å; K735-L739 VanDerWaalsContact O-N 3.12Å |
| 736 | L | 97.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 64.4 Ų | 64.4 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -36 | 174.8 | -179.7 | 54.3 | 0 | 0 | 0 | 112.2 | L681 F684 L732 E734 R740 | L681-L736 HydrophobicContact CB-CB 4.48Å; L681-L736 HydrophobicContact CD1-CB 4.16Å; F684-L736 HydrophobicContact CB-CD1 3.52Å; F684-L736 HydrophobicContact CD1-CD1 3.95Å; F684-L736 HydrophobicContact CD2-CD1 4.04Å; F684-L736 HydrophobicContact CG-CD1 3.54Å; L732-L736 WeakPolarHBondContact O-CB 3.37Å; L732-L736 PolarHBondContact O-N 2.97Å; L732-L736 VanDerWaalsContact O-N 3.09Å; E734-L736 VanDerWaalsContact C-N 3.31Å; E734-L736 PolarHBondContact O-N 2.88Å; L736-R740 HydrophobicContact CD1-CG 4.1Å; L736-R740 VanDerWaalsContact O-CB 3.27Å; L736-R740 WeakPolarHBondContact O-CB 3.29Å; L736-R740 WeakPolarHBondContact O-CG 3.47Å; L736-R740 PolarHBondContact O-N 3.11Å |
| 737 | A | 97.8 | Very high | 96 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.2 | -37.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K733 E734 K735 K741 | K733-A737 WeakPolarHBondContact O-CB 3.45Å; K733-A737 PolarHBondContact O-N 3.46Å; E734-A737 CarbonylContact O-C 3.52Å; E734-A737 WeakPolarHBondContact O-CA 3.34Å; E734-A737 WeakPolarHBondContact O-CB 3.4Å; E734-A737 PolarHBondContact O-N 2.89Å; K735-A737 VanDerWaalsContact C-N 3.31Å; K735-A737 PolarHBondContact O-N 2.93Å; A737-K741 VanDerWaalsContact O-CB 3.23Å; A737-K741 WeakPolarHBondContact O-CB 3.27Å; A737-K741 PolarHBondContact O-N 3.08Å |
| 738 | E | 97 | Very high | 96.2 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.4 | -52.5 | 172.8 | -69.5 | -177.2 | 145.6 | 0 | 0 | 111 | E734 K735 K741 L742 | E734-E738 WeakPolarHBondContact O-CG 3.34Å; E734-E738 PolarHBondContact O-N 2.99Å; K735-E738 IonicContact NZ-OE2 3.93Å; K735-E738 PolarHBondContact NZ-OE2 2.84Å; K735-E738 PolarHBondContact O-N 2.65Å; E738-K741 PolarHBondContact O-N 2.72Å; E738-L742 PolarHBondContact O-N 3.28Å |
| 739 | L | 97.4 | Very high | 96.3 | Very high | 10 Ų | 10 | 63.7 Ų | 63.7 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | -179 | -63.6 | 173.4 | 0 | 0 | 0 | 112.4 | L681 F684 I685 K712 L713 A716 K735 K741 L742 C743 | L681-L739 HydrophobicContact CD1-CD1 3.65Å; F684-L739 HydrophobicContact CD1-CB 4.05Å; F684-L739 HydrophobicContact CD1-CD1 4.48Å; F684-L739 HydrophobicContact CE1-CB 3.72Å; I685-L739 HydrophobicContact CD1-CD1 4.35Å; I685-L739 HydrophobicContact CG1-CD1 3.88Å; K712-L739 HydrophobicContact CB-CD2 4.29Å; L713-L739 HydrophobicContact CD2-CD1 4.16Å; L713-L739 HydrophobicContact CD2-CD2 4.08Å; A716-L739 HydrophobicContact CB-CD1 3.8Å; A716-L739 HydrophobicContact CB-CD2 4.34Å; K735-L739 WeakPolarHBondContact O-CG 3.17Å; K735-L739 PolarHBondContact O-N 2.87Å; K735-L739 VanDerWaalsContact O-N 3.12Å; L739-K741 VanDerWaalsContact C-N 3.32Å; L739-K741 PolarHBondContact O-N 3.18Å; L739-L742 WeakPolarHBondContact O-CB 3.28Å; L739-L742 PolarHBondContact O-N 3.36Å; L739-C743 PolarHBondContact O-N 2.93Å; L739-C743 PolarHBondContact O-SG 3.35Å |
| 740 | R | 97.1 | Very high | 96.3 | Very high | 135 Ų | 135 | 62.3 Ų | 62.3 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 174.6 | -78.6 | 173.9 | 176.4 | -169.5 | 0.1 | 112.3 | F684 L736 C743 Q744 | F684-R740 HydrophobicContact CD2-CG 4.03Å; F684-R740 HydrophobicContact CE1-CG 4.2Å; F684-R740 HydrophobicContact CE2-CG 3.48Å; F684-R740 VanDerWaalsContact CE2-CG 3.48Å; F684-R740 HydrophobicContact CZ-CB 4.34Å; F684-R740 HydrophobicContact CZ-CG 3.59Å; L736-R740 HydrophobicContact CD1-CG 4.1Å; L736-R740 VanDerWaalsContact O-CB 3.27Å; L736-R740 WeakPolarHBondContact O-CB 3.29Å; L736-R740 WeakPolarHBondContact O-CG 3.47Å; L736-R740 PolarHBondContact O-N 3.11Å; R740-C743 PolarHBondContact O-N 3.31Å; R740-Q744 WeakPolarHBondContact O-CB 3.37Å; R740-Q744 PolarHBondContact O-N 3.34Å |
| 741 | K | 96.9 | Very high | 96.3 | Very high | 166 Ų | 166 | 63 Ų | 63 | 72% | 0.722 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 176.9 | -178 | -176.8 | 174.5 | -170.3 | 0 | 111.9 | A737 E738 L739 Q744 | A737-K741 VanDerWaalsContact O-CB 3.23Å; A737-K741 WeakPolarHBondContact O-CB 3.27Å; A737-K741 PolarHBondContact O-N 3.08Å; E738-K741 PolarHBondContact O-N 2.72Å; L739-K741 VanDerWaalsContact C-N 3.32Å; L739-K741 PolarHBondContact O-N 3.18Å; K741-Q744 PolarHBondContact O-N 3.04Å |
| 742 | L | 95.4 | Very high | 96.3 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 32% | 0.319 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 174.4 | -176.2 | 68.5 | 0 | 0 | 0 | 111.3 | I709 K712 E738 L739 Q744 | I709-L742 HydrophobicContact CB-CD2 4.47Å; I709-L742 HydrophobicContact CG1-CD2 4.16Å; I709-L742 HydrophobicContact CG1-CG 4.14Å; I709-L742 HydrophobicContact CG2-CD2 4.45Å; K712-L742 HydrophobicContact CB-CD2 3.71Å; K712-L742 HydrophobicContact CG-CD2 3.75Å; E738-L742 PolarHBondContact O-N 3.28Å; L739-L742 WeakPolarHBondContact O-CB 3.28Å; L739-L742 PolarHBondContact O-N 3.36Å; L742-Q744 PolarHBondContact O-N 3.41Å |
| 743 | C | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -80.2 | -12.4 | -176.8 | -55.5 | 0 | 0 | 0 | 0 | 114.1 | F684 L739 R740 G745 L746 F747 | F684-C743 HydrophobicContact CZ-CB 4.32Å; L739-C743 PolarHBondContact O-N 2.93Å; L739-C743 PolarHBondContact O-SG 3.35Å; R740-C743 PolarHBondContact O-N 3.31Å; C743-G745 VanDerWaalsContact C-N 3.34Å; C743-G745 PolarHBondContact O-N 2.86Å; C743-L746 WeakPolarHBondContact O-CA 3.17Å; C743-L746 WeakPolarHBondContact O-CB 3.46Å; C743-L746 PolarHBondContact O-N 3.19Å; C743-F747 HydrophobicContact CB-CD1 4.28Å; C743-F747 HydrophobicContact CB-CD2 4.2Å; C743-F747 HydrophobicContact CB-CE1 3.9Å; C743-F747 HydrophobicContact CB-CE2 3.81Å; C743-F747 HydrophobicContact CB-CG 4.44Å; C743-F747 HydrophobicContact CB-CZ 3.66Å; C743-F747 PolarHBondContact O-N 3.03Å |
| 744 | Q | 94.7 | Very high | 96 | Very high | 135 Ų | 135 | 64.7 Ų | 64.7 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -54.8 | -44.3 | -171.6 | -172.2 | 178.9 | 15.6 | 0 | 0 | 113.4 | R740 K741 L742 L746 F748 | R740-Q744 WeakPolarHBondContact O-CB 3.37Å; R740-Q744 PolarHBondContact O-N 3.34Å; K741-Q744 PolarHBondContact O-N 3.04Å; L742-Q744 PolarHBondContact O-N 3.41Å; Q744-L746 VanDerWaalsContact C-N 3.32Å; Q744-L746 PolarHBondContact O-N 3.48Å; Q744-F748 VanDerWaalsContact O-CB 3.28Å; Q744-F748 WeakPolarHBondContact O-CB 3.5Å; Q744-F748 PolarHBondContact O-N 2.95Å |
| 745 | G | 94.3 | Very high | 95.9 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.9 | -29.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C743 R749 | C743-G745 VanDerWaalsContact C-N 3.34Å; C743-G745 PolarHBondContact O-N 2.86Å; G745-R749 WeakPolarHBondContact O-CG 3.19Å; G745-R749 PolarHBondContact O-N 2.81Å; G745-R749 PolarHBondContact O-NE 2.69Å |
| 746 | L | 95 | Very high | 95.8 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.4 | -54.9 | 174.4 | 176.3 | 60.1 | 0 | 0 | 0 | 110.9 | L692 Y697 V700 I709 C743 Q744 F748 R749 V750 | L692-L746 HydrophobicContact CD2-CD2 3.65Å; Y697-L746 HydrophobicContact CD1-CD1 4.4Å; Y697-L746 HydrophobicContact CD1-CD2 4.18Å; Y697-L746 HydrophobicContact CD1-CG 4.1Å; V700-L746 HydrophobicContact CG2-CD1 3.62Å; I709-L746 HydrophobicContact CD1-CD2 3.92Å; C743-L746 WeakPolarHBondContact O-CA 3.17Å; C743-L746 WeakPolarHBondContact O-CB 3.46Å; C743-L746 PolarHBondContact O-N 3.19Å; Q744-L746 VanDerWaalsContact C-N 3.32Å; Q744-L746 PolarHBondContact O-N 3.48Å; L746-F748 VanDerWaalsContact C-N 3.28Å; L746-F748 PolarHBondContact O-N 2.81Å; L746-R749 PolarHBondContact O-N 3.47Å; L746-R749 VanDerWaalsContact O-N 3.09Å; L746-V750 PolarHBondContact O-N 2.65Å |
| 747 | F | 96 | Very high | 95.7 | Very high | 47 Ų | 47 | 64.5 Ų | 64.5 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -38.2 | -177.2 | -63.6 | -6.8 | 0 | 0 | 0 | 111.8 | F684 T688 Y697 C743 R749 V750 E751 | F684-F747 AromaticContact CE2-CE2 3.84Å; F684-F747 HydrophobicContact CE2-CE2 3.84Å; F684-F747 HydrophobicContact CE2-CZ 4.38Å; F684-F747 AromaticContact CZ-CE2 3.82Å; F684-F747 HydrophobicContact CZ-CE2 3.82Å; F684-F747 HydrophobicContact CZ-CZ 4.13Å; T688-F747 HydrophobicContact CG2-CE1 4.06Å; T688-F747 HydrophobicContact CG2-CZ 3.77Å; Y697-F747 HydrophobicContact CD1-CD1 4.45Å; Y697-F747 AromaticContact CE1-CD1 3.76Å; Y697-F747 HydrophobicContact CE1-CD1 3.76Å; Y697-F747 AromaticContact CE1-CE1 3.91Å; Y697-F747 HydrophobicContact CE1-CE1 3.91Å; C743-F747 HydrophobicContact CB-CD1 4.28Å; C743-F747 HydrophobicContact CB-CD2 4.2Å; C743-F747 HydrophobicContact CB-CE1 3.9Å; C743-F747 HydrophobicContact CB-CE2 3.81Å; C743-F747 HydrophobicContact CB-CG 4.44Å; C743-F747 HydrophobicContact CB-CZ 3.66Å; C743-F747 PolarHBondContact O-N 3.03Å; F747-R749 PolarHBondContact O-N 2.99Å; F747-V750 PolarHBondContact O-N 3.27Å; F747-E751 VanDerWaalsContact O-CB 3.28Å; F747-E751 WeakPolarHBondContact O-CB 3.48Å; F747-E751 PolarHBondContact O-N 2.92Å |
| 748 | F | 96.3 | Very high | 95.6 | Very high | 65 Ų | 65 | 68.8 Ų | 68.8 | 29% | 0.285 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 175 | 179.8 | -102.9 | 0 | 0 | 0 | 113.5 | Q744 L746 E752 K821 P822 L825 | Q744-F748 VanDerWaalsContact O-CB 3.28Å; Q744-F748 WeakPolarHBondContact O-CB 3.5Å; Q744-F748 PolarHBondContact O-N 2.95Å; L746-F748 VanDerWaalsContact C-N 3.28Å; L746-F748 PolarHBondContact O-N 2.81Å; F748-E752 HydrophobicContact CD2-CG 4.42Å; F748-E752 HydrophobicContact CE1-CG 4.25Å; F748-E752 HydrophobicContact CE2-CG 3.97Å; F748-E752 HydrophobicContact CZ-CG 3.88Å; F748-E752 WeakPolarHBondContact O-CB 3.18Å; F748-E752 WeakPolarHBondContact O-CG 3.17Å; F748-E752 PolarHBondContact O-N 2.76Å; F748-E752 VanDerWaalsContact O-N 3.13Å; F748-K821 HydrophobicContact CD1-CG 4.37Å; F748-K821 HydrophobicContact CE1-CD 4.4Å; F748-K821 HydrophobicContact CE1-CG 3.87Å; F748-P822 HydrophobicContact CD1-CG 4.49Å; F748-P822 HydrophobicContact CE1-CG 3.86Å; F748-L825 HydrophobicContact CE1-CD2 4.36Å; F748-L825 HydrophobicContact CZ-CD2 3.82Å |
| 749 | R | 95.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 177.7 | -71.9 | 172.6 | -62.7 | -178.4 | 15.4 | 111.7 | V700 Q705 G745 L746 F747 R753 T819 E820 | V700-R749 HydrophobicContact CB-CB 3.83Å; V700-R749 HydrophobicContact CG1-CB 4.02Å; V700-R749 HydrophobicContact CG2-CB 4.08Å; V700-R749 PolarHBondContact O-NE 2.69Å; V700-R749 PolarHBondContact O-NH1 2.7Å; V700-R749 VanDerWaalsContact O-NH1 3.11Å; V700-R749 PolarHBondContact O-NH2 3.26Å; V700-R749 VanDerWaalsContact O-NH2 3.12Å; Q705-R749 VanDerWaalsContact OE1-NH1 3.08Å; G745-R749 WeakPolarHBondContact O-CG 3.19Å; G745-R749 PolarHBondContact O-N 2.81Å; G745-R749 PolarHBondContact O-NE 2.69Å; L746-R749 PolarHBondContact O-N 3.47Å; L746-R749 VanDerWaalsContact O-N 3.09Å; F747-R749 PolarHBondContact O-N 2.99Å; R749-R753 WeakPolarHBondContact O-CG 3.49Å; R749-R753 PolarHBondContact O-N 2.68Å; R749-T819 WeakPolarHBondContact CD-O 3.38Å; R749-T819 PolarHBondContact NH1-O 2.78Å; R749-E820 WeakPolarHBondContact CD-O 3.4Å |
| 750 | V | 95.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -50.7 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | E696 Y697 V700 L746 F747 E752 R753 K754 | E696-V750 HydrophobicContact CB-CG1 4.08Å; Y697-V750 HydrophobicContact CD1-CG2 3.7Å; Y697-V750 HydrophobicContact CD2-CG1 4.45Å; Y697-V750 HydrophobicContact CD2-CG2 4.26Å; Y697-V750 HydrophobicContact CE1-CB 4.45Å; Y697-V750 HydrophobicContact CE1-CG2 3.89Å; Y697-V750 HydrophobicContact CE2-CG1 4.07Å; Y697-V750 HydrophobicContact CE2-CG2 4.45Å; Y697-V750 HydrophobicContact CG-CG2 3.88Å; V700-V750 HydrophobicContact CG2-CG2 3.51Å; L746-V750 PolarHBondContact O-N 2.65Å; F747-V750 PolarHBondContact O-N 3.27Å; V750-E752 VanDerWaalsContact C-N 3.32Å; V750-E752 PolarHBondContact O-N 3.03Å; V750-R753 PolarHBondContact O-N 3.22Å; V750-K754 WeakPolarHBondContact O-CB 3.32Å; V750-K754 PolarHBondContact O-N 3.32Å |
| 751 | E | 95.1 | Very high | 95.3 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | -174.6 | -172.6 | -176.2 | 177.4 | 0 | 0 | 112.5 | F747 K755 | F747-E751 VanDerWaalsContact O-CB 3.28Å; F747-E751 WeakPolarHBondContact O-CB 3.48Å; F747-E751 PolarHBondContact O-N 2.92Å; E751-K755 HydrophobicContact CG-CD 4.34Å; E751-K755 WeakPolarHBondContact O-CD 3.32Å; E751-K755 VanDerWaalsContact O-CG 3.25Å; E751-K755 WeakPolarHBondContact O-CG 3.27Å; E751-K755 PolarHBondContact O-N 2.76Å; E751-K755 WeakPolarHBondContact OE1-CE 3.39Å; E751-K755 IonicContact OE1-NZ 3.66Å; E751-K755 PolarHBondContact OE1-NZ 2.88Å |
| 752 | E | 95.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -53.9 | 171.3 | -80.3 | -68.9 | 161.8 | 0 | 0 | 111.5 | F748 V750 K754 K755 W756 P822 S826 | F748-E752 HydrophobicContact CD2-CG 4.42Å; F748-E752 HydrophobicContact CE1-CG 4.25Å; F748-E752 HydrophobicContact CE2-CG 3.97Å; F748-E752 HydrophobicContact CZ-CG 3.88Å; F748-E752 WeakPolarHBondContact O-CB 3.18Å; F748-E752 WeakPolarHBondContact O-CG 3.17Å; F748-E752 PolarHBondContact O-N 2.76Å; F748-E752 VanDerWaalsContact O-N 3.13Å; V750-E752 VanDerWaalsContact C-N 3.32Å; V750-E752 PolarHBondContact O-N 3.03Å; E752-K754 VanDerWaalsContact C-N 3.32Å; E752-K754 PolarHBondContact O-N 3.34Å; E752-K755 PolarHBondContact O-N 2.82Å; E752-W756 HydrophobicContact CB-CZ2 4.27Å; E752-W756 PolarHBondContact O-N 3.22Å; E752-W756 VanDerWaalsContact O-N 3.13Å; E752-W756 PolarHBondContact O-NE1 2.98Å; E752-W756 PolarHBondContact OE2-NE1 3.07Å; E752-W756 VanDerWaalsContact OE2-NE1 3.16Å; E752-P822 HydrophobicContact CB-CG 4.05Å; E752-P822 HydrophobicContact CG-CG 4.01Å; E752-S826 PolarHBondContact OE1-N 2.7Å; E752-S826 WeakPolarHBondContact OE2-CB 3.32Å; E752-S826 PolarHBondContact OE2-N 3.33Å; E752-S826 PolarHBondContact OE2-OG 3.15Å |
| 753 | R | 93.8 | Very high | 95.4 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 22% | 0.219 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.5 | -42.5 | -179.9 | -76.1 | 177.6 | -175.4 | -90.3 | -24 | 112.9 | E699 V700 R749 V750 K755 W756 P757 | E699-R753 WeakPolarHBondContact OE1-CD 3.48Å; E699-R753 IonicContact OE1-CZ 2.95Å; E699-R753 IonicContact OE1-NE 2.91Å; E699-R753 IonicContact OE1-NH1 2.69Å; E699-R753 PolarHBondContact OE1-NH1 3.45Å; V700-R753 VanDerWaalsContact CG1-CD 3.43Å; R749-R753 WeakPolarHBondContact O-CG 3.49Å; R749-R753 PolarHBondContact O-N 2.68Å; V750-R753 PolarHBondContact O-N 3.22Å; R753-K755 PolarHBondContact O-N 2.98Å; R753-W756 HydrophobicContact CB-CE3 4.48Å; R753-W756 HydrophobicContact CG-CE3 3.95Å; R753-W756 HydrophobicContact CG-CH2 3.92Å; R753-W756 HydrophobicContact CG-CZ2 4.46Å; R753-W756 HydrophobicContact CG-CZ3 3.64Å; R753-W756 PolarHBondContact O-N 3.08Å; R753-P757 WeakPolarHBondContact O-CD 3.43Å |
| 754 | K | 94.2 | Very high | 95.4 | Very high | 132 Ų | 132 | 56 Ų | 56 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.5 | -29.2 | 178.8 | -156.1 | -178.4 | -166.2 | 96.1 | 0 | 112.7 | E696 V750 E752 | E696-K754 IonicContact OE1-NZ 3.82Å; E696-K754 PolarHBondContact OE1-NZ 2.78Å; E696-K754 IonicContact OE2-NZ 3.24Å; E696-K754 PolarHBondContact OE2-NZ 2.88Å; V750-K754 WeakPolarHBondContact O-CB 3.32Å; V750-K754 PolarHBondContact O-N 3.32Å; E752-K754 VanDerWaalsContact C-N 3.32Å; E752-K754 PolarHBondContact O-N 3.34Å |
| 755 | K | 95.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 54.3 Ų | 54.3 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -88.4 | -20.7 | 179.4 | -71.8 | 172.8 | -172.9 | 175.5 | 0 | 114.1 | E751 E752 R753 R759 | E751-K755 HydrophobicContact CG-CD 4.34Å; E751-K755 WeakPolarHBondContact O-CD 3.32Å; E751-K755 VanDerWaalsContact O-CG 3.25Å; E751-K755 WeakPolarHBondContact O-CG 3.27Å; E751-K755 PolarHBondContact O-N 2.76Å; E751-K755 WeakPolarHBondContact OE1-CE 3.39Å; E751-K755 IonicContact OE1-NZ 3.66Å; E751-K755 PolarHBondContact OE1-NZ 2.88Å; E752-K755 PolarHBondContact O-N 2.82Å; R753-K755 PolarHBondContact O-N 2.98Å; K755-R759 WeakPolarHBondContact O-CB 3.21Å; K755-R759 VanDerWaalsContact O-CG 3.27Å; K755-R759 WeakPolarHBondContact O-CG 3.41Å; K755-R759 PolarHBondContact O-N 3.07Å; K755-R759 VanDerWaalsContact O-N 3.17Å |
| 756 | W | 94.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 11% | 0.114 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | -174.8 | -67.9 | -13.4 | 0 | 0 | 0 | 114.9 | E752 R753 E758 R759 L760 Q813 P822 L824 | E752-W756 HydrophobicContact CB-CZ2 4.27Å; E752-W756 PolarHBondContact O-N 3.22Å; E752-W756 VanDerWaalsContact O-N 3.13Å; E752-W756 PolarHBondContact O-NE1 2.98Å; E752-W756 PolarHBondContact OE2-NE1 3.07Å; E752-W756 VanDerWaalsContact OE2-NE1 3.16Å; R753-W756 HydrophobicContact CB-CE3 4.48Å; R753-W756 HydrophobicContact CG-CE3 3.95Å; R753-W756 HydrophobicContact CG-CH2 3.92Å; R753-W756 HydrophobicContact CG-CZ2 4.46Å; R753-W756 HydrophobicContact CG-CZ3 3.64Å; R753-W756 PolarHBondContact O-N 3.08Å; W756-E758 PolarHBondContact O-N 3.21Å; W756-R759 PolarHBondContact O-N 3.14Å; W756-L760 HydrophobicContact CB-CD1 4.2Å; W756-L760 VanDerWaalsContact O-CB 3.23Å; W756-L760 WeakPolarHBondContact O-CB 3.27Å; W756-L760 WeakPolarHBondContact O-CG 3.26Å; W756-L760 PolarHBondContact O-N 3.04Å; W756-Q813 HydrophobicContact CH2-CG 3.76Å; W756-Q813 HydrophobicContact CZ2-CG 4.35Å; W756-Q813 HydrophobicContact CZ3-CG 4.19Å; W756-P822 HydrophobicContact CH2-CB 4.02Å; W756-P822 HydrophobicContact CZ2-CB 3.55Å; W756-P822 HydrophobicContact CZ2-CG 4.32Å; W756-L824 HydrophobicContact CD2-CD2 3.9Å; W756-L824 HydrophobicContact CE3-CD2 4.44Å; W756-L824 HydrophobicContact CG-CD2 4.01Å; W756-L824 HydrophobicContact CZ2-CB 4.15Å; W756-L824 HydrophobicContact CZ2-CD2 4.49Å; W756-L824 WeakPolarHBondContact CZ2-O 3.34Å; W756-L824 PolarHBondContact NE1-O 2.78Å |
| 757 | P | 95 | Very high | 95.6 | Very high | 92 Ų | 92 | 53.6 Ų | 53.6 | 60% | 0.597 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.5 | -49.4 | -175.4 | -24.9 | 34.9 | 0 | 0 | 0 | 112.9 | R753 S761 | R753-P757 WeakPolarHBondContact O-CD 3.43Å; P757-S761 VanDerWaalsContact O-CB 3.28Å; P757-S761 WeakPolarHBondContact O-CB 3.47Å; P757-S761 PolarHBondContact O-N 3.02Å |
| 758 | E | 95.4 | Very high | 95.6 | Very high | 145 Ų | 145 | 55.3 Ų | 55.3 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.2 | -50.3 | 177.1 | -174.5 | -167.5 | -179.4 | 0 | 0 | 111.1 | W756 L760 S761 A762 | W756-E758 PolarHBondContact O-N 3.21Å; E758-L760 PolarHBondContact O-N 2.67Å; E758-S761 PolarHBondContact O-N 3.17Å; E758-A762 WeakPolarHBondContact O-CB 3.29Å; E758-A762 PolarHBondContact O-N 3.39Å |
| 759 | R | 94.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 18% | 0.177 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.5 | -35.9 | -174.7 | -68.6 | -179.4 | 178.3 | -132.9 | -16.7 | 113.2 | K755 W756 L763 S826 I829 E830 | K755-R759 WeakPolarHBondContact O-CB 3.21Å; K755-R759 VanDerWaalsContact O-CG 3.27Å; K755-R759 WeakPolarHBondContact O-CG 3.41Å; K755-R759 PolarHBondContact O-N 3.07Å; K755-R759 VanDerWaalsContact O-N 3.17Å; W756-R759 PolarHBondContact O-N 3.14Å; R759-L763 WeakPolarHBondContact O-CB 3.43Å; R759-L763 PolarHBondContact O-N 2.66Å; R759-S826 VanDerWaalsContact NH1-C 3.25Å; R759-S826 PolarHBondContact NH1-O 2.86Å; R759-I829 HydrophobicContact CB-CD1 4.1Å; R759-I829 HydrophobicContact CB-CG2 3.97Å; R759-E830 IonicContact CZ-OE1 3.63Å; R759-E830 IonicContact CZ-OE2 3.99Å; R759-E830 IonicContact NH1-OE1 3.59Å; R759-E830 PolarHBondContact NH1-OE1 3.45Å; R759-E830 IonicContact NH1-OE2 3.78Å; R759-E830 PolarHBondContact NH1-OE2 2.88Å; R759-E830 IonicContact NH2-OE1 2.76Å; R759-E830 PolarHBondContact NH2-OE1 2.77Å; R759-E830 IonicContact NH2-OE2 2.84Å |
| 760 | L | 95.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.6 | -43.5 | 174.3 | -70 | 171 | 0 | 0 | 0 | 111 | W756 E758 L763 D764 L810 L824 I829 | W756-L760 HydrophobicContact CB-CD1 4.2Å; W756-L760 VanDerWaalsContact O-CB 3.23Å; W756-L760 WeakPolarHBondContact O-CB 3.27Å; W756-L760 WeakPolarHBondContact O-CG 3.26Å; W756-L760 PolarHBondContact O-N 3.04Å; E758-L760 PolarHBondContact O-N 2.67Å; L760-L763 PolarHBondContact O-N 2.86Å; L760-D764 WeakPolarHBondContact O-CB 3.47Å; L760-D764 PolarHBondContact O-N 2.8Å; L760-L810 HydrophobicContact CD1-CD2 4.09Å; L760-L810 HydrophobicContact CD2-CD2 4.44Å; L760-L824 HydrophobicContact CD1-CD2 4.16Å; L760-L824 HydrophobicContact CD2-CD2 4.32Å; L760-I829 HydrophobicContact CD2-CD1 3.97Å; L760-I829 HydrophobicContact CG-CD1 4.25Å |
| 761 | S | 96.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 58.1 Ų | 58.1 | 44% | 0.441 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 175.1 | -175.4 | 0 | 0 | 0 | 0 | 112 | P757 E758 L763 D764 N765 | P757-S761 VanDerWaalsContact O-CB 3.28Å; P757-S761 WeakPolarHBondContact O-CB 3.47Å; P757-S761 PolarHBondContact O-N 3.02Å; E758-S761 PolarHBondContact O-N 3.17Å; S761-L763 PolarHBondContact O-N 3.31Å; S761-D764 PolarHBondContact O-N 3.08Å; S761-N765 WeakPolarHBondContact O-CB 3.46Å; S761-N765 VanDerWaalsContact O-CG 3.31Å; S761-N765 PolarHBondContact O-N 2.87Å; S761-N765 PolarHBondContact O-ND2 3.22Å |
| 762 | A | 96.2 | Very high | 95.4 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 31% | 0.306 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E758 L766 M833 | E758-A762 WeakPolarHBondContact O-CB 3.29Å; E758-A762 PolarHBondContact O-N 3.39Å; A762-L766 WeakPolarHBondContact O-CB 3.16Å; A762-L766 PolarHBondContact O-N 2.9Å; A762-M833 HydrophobicContact CB-CE 3.57Å; A762-M833 HydrophobicContact CB-SD 4.39Å |
| 763 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 173.2 | 175.8 | 62.2 | 0 | 0 | 0 | 112.1 | R759 L760 S761 L766 L767 T802 W805 K806 I829 M833 | R759-L763 WeakPolarHBondContact O-CB 3.43Å; R759-L763 PolarHBondContact O-N 2.66Å; L760-L763 PolarHBondContact O-N 2.86Å; S761-L763 PolarHBondContact O-N 3.31Å; L763-L766 PolarHBondContact O-N 2.88Å; L763-L767 HydrophobicContact CD1-CD1 4.07Å; L763-L767 HydrophobicContact CD1-CG 4.17Å; L763-L767 HydrophobicContact CG-CD1 3.9Å; L763-L767 HydrophobicContact CG-CG 4.45Å; L763-L767 WeakPolarHBondContact O-CB 3.5Å; L763-L767 VanDerWaalsContact O-CG 3.31Å; L763-L767 WeakPolarHBondContact O-CG 3.32Å; L763-L767 PolarHBondContact O-N 3.01Å; L763-T802 HydrophobicContact CD1-CG2 3.81Å; L763-W805 HydrophobicContact CD2-CZ3 4.06Å; L763-K806 HydrophobicContact CD2-CB 4.34Å; L763-K806 HydrophobicContact CD2-CD 4.26Å; L763-K806 HydrophobicContact CD2-CG 3.95Å; L763-I829 HydrophobicContact CB-CG2 4.11Å; L763-I829 HydrophobicContact CD2-CG2 4.12Å; L763-M833 HydrophobicContact CB-CG 4.02Å; L763-M833 HydrophobicContact CB-SD 4.27Å; L763-M833 HydrophobicContact CD1-CG 3.77Å; L763-M833 HydrophobicContact CG-CG 4.46Å |
| 764 | D | 96.8 | Very high | 95.3 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 177 | -82.8 | -44.2 | 0 | 0 | 0 | 112 | L760 S761 L766 L767 N768 W803 K806 | L760-D764 WeakPolarHBondContact O-CB 3.47Å; L760-D764 PolarHBondContact O-N 2.8Å; S761-D764 PolarHBondContact O-N 3.08Å; D764-L766 VanDerWaalsContact C-N 3.32Å; D764-L766 PolarHBondContact O-N 3.36Å; D764-L767 PolarHBondContact O-N 3.24Å; D764-N768 VanDerWaalsContact O-CB 3.31Å; D764-N768 WeakPolarHBondContact O-CB 3.2Å; D764-N768 PolarHBondContact O-N 2.78Å; D764-N768 PolarHBondContact O-ND2 2.93Å; D764-N768 VanDerWaalsContact O-ND2 3.13Å; D764-W803 WeakPolarHBondContact OD1-CH2 3.5Å; D764-K806 IonicContact OD1-NZ 3.77Å; D764-K806 PolarHBondContact OD1-NZ 3.41Å; D764-K806 IonicContact OD2-NZ 3.68Å; D764-K806 PolarHBondContact OD2-NZ 3.45Å |
| 765 | N | 96.3 | Very high | 95.2 | Very high | 100 Ų | 100 | 58.5 Ų | 58.5 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 175.3 | -73.5 | -30.7 | 0 | 0 | 0 | 111.5 | S761 H769 | S761-N765 WeakPolarHBondContact O-CB 3.46Å; S761-N765 VanDerWaalsContact O-CG 3.31Å; S761-N765 PolarHBondContact O-N 2.87Å; S761-N765 PolarHBondContact O-ND2 3.22Å; N765-H769 VanDerWaalsContact O-CB 3.31Å; N765-H769 WeakPolarHBondContact O-CB 3.25Å; N765-H769 PolarHBondContact O-N 3.42Å |
| 766 | L | 95.8 | Very high | 95 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 174.9 | -175 | 64.8 | 0 | 0 | 0 | 112.2 | A762 L763 D764 H769 S770 M833 L836 D837 | A762-L766 WeakPolarHBondContact O-CB 3.16Å; A762-L766 PolarHBondContact O-N 2.9Å; L763-L766 PolarHBondContact O-N 2.88Å; D764-L766 VanDerWaalsContact C-N 3.32Å; D764-L766 PolarHBondContact O-N 3.36Å; L766-H769 PolarHBondContact O-N 2.79Å; L766-S770 VanDerWaalsContact O-CB 3.25Å; L766-S770 WeakPolarHBondContact O-CB 3.49Å; L766-S770 PolarHBondContact O-N 2.68Å; L766-S770 PolarHBondContact O-OG 2.85Å; L766-M833 HydrophobicContact CD2-CB 4.02Å; L766-M833 HydrophobicContact CD2-CG 4.33Å; L766-M833 WeakPolarHBondContact CD2-O 3.31Å; L766-L836 HydrophobicContact CD2-CB 4.16Å; L766-L836 HydrophobicContact CD2-CD2 4.09Å; L766-L836 HydrophobicContact CD2-CG 4.2Å; L766-L836 HydrophobicContact CG-CD2 3.88Å; L766-L836 HydrophobicContact CG-CG 4.16Å; L766-D837 HydrophobicContact CD1-CB 4.26Å; L766-D837 HydrophobicContact CD2-CB 4.17Å |
| 767 | L | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 176 | -80.2 | 166.1 | 0 | 0 | 0 | 112.1 | L763 D764 S770 S771 I799 T802 W803 K806 L836 | L763-L767 HydrophobicContact CD1-CD1 4.07Å; L763-L767 HydrophobicContact CD1-CG 4.17Å; L763-L767 HydrophobicContact CG-CD1 3.9Å; L763-L767 HydrophobicContact CG-CG 4.45Å; L763-L767 WeakPolarHBondContact O-CB 3.5Å; L763-L767 VanDerWaalsContact O-CG 3.31Å; L763-L767 WeakPolarHBondContact O-CG 3.32Å; L763-L767 PolarHBondContact O-N 3.01Å; D764-L767 PolarHBondContact O-N 3.24Å; L767-S770 PolarHBondContact O-N 2.8Å; L767-S771 WeakPolarHBondContact O-CB 3.47Å; L767-S771 PolarHBondContact O-N 3Å; L767-S771 PolarHBondContact O-OG 3.03Å; L767-I799 HydrophobicContact CD2-CG2 4.34Å; L767-T802 HydrophobicContact CD1-CG2 4.34Å; L767-T802 HydrophobicContact CD2-CG2 3.89Å; L767-T802 HydrophobicContact CG-CG2 4.4Å; L767-W803 HydrophobicContact CB-CZ2 4.26Å; L767-W803 HydrophobicContact CD1-CD2 3.99Å; L767-W803 HydrophobicContact CD1-CE3 4.38Å; L767-W803 HydrophobicContact CD1-CG 4.33Å; L767-W803 HydrophobicContact CD1-CZ2 4.24Å; L767-W803 HydrophobicContact CD2-CG 4.25Å; L767-K806 HydrophobicContact CD1-CD 4.44Å; L767-L836 HydrophobicContact CD2-CD2 3.65Å; L767-L836 HydrophobicContact CG-CD2 3.99Å |
| 768 | N | 95.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 177.4 | -71.8 | -30.2 | 0 | 0 | 0 | 111.1 | D764 S771 M772 | D764-N768 VanDerWaalsContact O-CB 3.31Å; D764-N768 WeakPolarHBondContact O-CB 3.2Å; D764-N768 PolarHBondContact O-N 2.78Å; D764-N768 PolarHBondContact O-ND2 2.93Å; D764-N768 VanDerWaalsContact O-ND2 3.13Å; N768-S771 PolarHBondContact O-N 2.86Å; N768-M772 WeakPolarHBondContact O-CB 3.36Å; N768-M772 WeakPolarHBondContact O-CG 3.22Å; N768-M772 PolarHBondContact O-N 2.86Å |
| 769 | H | 95 | Very high | 94.1 | Very high | 109 Ų | 109 | 55.7 Ų | 55.7 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 175.9 | -169.9 | 94.8 | 0 | 0 | 0 | 111.9 | N765 L766 S771 M772 F773 | N765-H769 VanDerWaalsContact O-CB 3.31Å; N765-H769 WeakPolarHBondContact O-CB 3.25Å; N765-H769 PolarHBondContact O-N 3.42Å; L766-H769 PolarHBondContact O-N 2.79Å; H769-S771 VanDerWaalsContact C-N 3.33Å; H769-S771 PolarHBondContact O-N 3.46Å; H769-M772 PolarHBondContact O-N 3.11Å; H769-F773 WeakPolarHBondContact O-CB 3.41Å; H769-F773 PolarHBondContact O-N 3.22Å |
| 770 | S | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 178 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | L766 L767 F773 L774 L836 V840 | L766-S770 VanDerWaalsContact O-CB 3.25Å; L766-S770 WeakPolarHBondContact O-CB 3.49Å; L766-S770 PolarHBondContact O-N 2.68Å; L766-S770 PolarHBondContact O-OG 2.85Å; L767-S770 PolarHBondContact O-N 2.8Å; S770-F773 PolarHBondContact O-N 3.22Å; S770-L774 WeakPolarHBondContact O-CB 3.33Å; S770-L774 PolarHBondContact O-N 3.28Å; S770-L836 WeakPolarHBondContact OG-CG 3.29Å; S770-V840 WeakPolarHBondContact OG-CG2 3.07Å |
| 771 | S | 94.9 | Very high | 93 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | L767 N768 H769 K775 | L767-S771 WeakPolarHBondContact O-CB 3.47Å; L767-S771 PolarHBondContact O-N 3Å; L767-S771 PolarHBondContact O-OG 3.03Å; N768-S771 PolarHBondContact O-N 2.86Å; H769-S771 VanDerWaalsContact C-N 3.33Å; H769-S771 PolarHBondContact O-N 3.46Å; S771-K775 WeakPolarHBondContact O-CB 3.45Å; S771-K775 PolarHBondContact O-N 3.44Å |
| 772 | M | 93.5 | Very high | 92 | Very high | 133 Ų | 133 | 64.1 Ų | 64.1 | 66% | 0.655 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67.4 | -40.1 | 174.5 | -73.3 | -69.9 | -79.9 | 0 | 0 | 112 | N768 H769 K775 G776 | N768-M772 WeakPolarHBondContact O-CB 3.36Å; N768-M772 WeakPolarHBondContact O-CG 3.22Å; N768-M772 PolarHBondContact O-N 2.86Å; H769-M772 PolarHBondContact O-N 3.11Å; M772-K775 PolarHBondContact O-N 3.16Å; M772-G776 PolarHBondContact O-N 2.7Å |
| 773 | F | 93.9 | Very high | 90.9 | Very high | 36 Ų | 36 | 68.8 Ų | 68.8 | 16% | 0.158 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 173.7 | 176.2 | -95.8 | 0 | 0 | 0 | 111.7 | H769 S770 K775 G776 A777 F787 L795 L843 L844 | H769-F773 WeakPolarHBondContact O-CB 3.41Å; H769-F773 PolarHBondContact O-N 3.22Å; S770-F773 PolarHBondContact O-N 3.22Å; F773-K775 VanDerWaalsContact C-N 3.33Å; F773-K775 PolarHBondContact O-N 3.42Å; F773-G776 PolarHBondContact O-N 3.28Å; F773-G776 VanDerWaalsContact O-N 3.17Å; F773-A777 WeakPolarHBondContact O-CB 3.23Å; F773-A777 PolarHBondContact O-N 2.75Å; F773-F787 HydrophobicContact CE2-CZ 4.36Å; F773-F787 HydrophobicContact CZ-CE1 4.16Å; F773-F787 HydrophobicContact CZ-CE2 4.31Å; F773-F787 AromaticContact CZ-CZ 3.72Å; F773-F787 HydrophobicContact CZ-CZ 3.72Å; F773-L795 HydrophobicContact CD1-CD2 3.8Å; F773-L795 HydrophobicContact CE1-CD2 4.19Å; F773-L843 HydrophobicContact CE1-CB 3.68Å; F773-L843 HydrophobicContact CE1-CD1 4.02Å; F773-L843 HydrophobicContact CZ-CB 3.79Å; F773-L844 HydrophobicContact CD2-CD2 3.94Å; F773-L844 HydrophobicContact CE2-CD2 3.54Å; F773-L844 HydrophobicContact CE2-CG 4.09Å; F773-L844 HydrophobicContact CZ-CD2 4.3Å; F773-L844 HydrophobicContact CZ-CG 4.43Å |
| 774 | L | 93.5 | Very high | 89.9 | Confident | 13 Ų | 13 | 71.4 Ų | 71.4 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 175.9 | 175 | 64.5 | 0 | 0 | 0 | 112.2 | S770 A777 R778 M792 L795 E796 I799 | S770-L774 WeakPolarHBondContact O-CB 3.33Å; S770-L774 PolarHBondContact O-N 3.28Å; L774-A777 PolarHBondContact O-N 2.81Å; L774-R778 PolarHBondContact O-N 2.83Å; L774-M792 HydrophobicContact CD1-CB 3.89Å; L774-M792 HydrophobicContact CD1-CG 4.35Å; L774-M792 WeakPolarHBondContact CD1-O 3.37Å; L774-L795 HydrophobicContact CB-CD2 4.09Å; L774-E796 HydrophobicContact CD2-CB 3.62Å; L774-E796 HydrophobicContact CD2-CG 4.09Å; L774-I799 HydrophobicContact CB-CD1 4.32Å; L774-I799 HydrophobicContact CD2-CD1 3.99Å |
| 775 | K | 92.6 | Very high | 89.3 | Confident | 136 Ų | 136 | 71.7 Ų | 71.7 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 175.1 | -174.1 | 179 | 179.7 | -178 | 0 | 111.5 | S771 M772 F773 L779 | S771-K775 WeakPolarHBondContact O-CB 3.45Å; S771-K775 PolarHBondContact O-N 3.44Å; M772-K775 PolarHBondContact O-N 3.16Å; F773-K775 VanDerWaalsContact C-N 3.33Å; F773-K775 PolarHBondContact O-N 3.42Å; K775-L779 HydrophobicContact CG-CD1 4.29Å; K775-L779 WeakPolarHBondContact O-CD1 3.47Å; K775-L779 VanDerWaalsContact O-CG 3.29Å; K775-L779 WeakPolarHBondContact O-CG 3.46Å; K775-L779 PolarHBondContact O-N 2.83Å |
| 776 | G | 90.6 | Very high | 88.7 | Confident | 38 Ų | 38 | 69.3 Ų | 69.3 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M772 F773 R778 L779 I780 | M772-G776 PolarHBondContact O-N 2.7Å; F773-G776 PolarHBondContact O-N 3.28Å; F773-G776 VanDerWaalsContact O-N 3.17Å; G776-R778 VanDerWaalsContact C-N 3.33Å; G776-R778 PolarHBondContact O-N 3Å; G776-L779 PolarHBondContact O-N 3.34Å; G776-I780 PolarHBondContact O-N 3.48Å |
| 777 | A | 88.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 3% | 0.025 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.2 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F773 L774 L779 I780 Q785 F787 M792 | F773-A777 WeakPolarHBondContact O-CB 3.23Å; F773-A777 PolarHBondContact O-N 2.75Å; L774-A777 PolarHBondContact O-N 2.81Å; A777-L779 VanDerWaalsContact C-N 3.29Å; A777-L779 PolarHBondContact O-N 3.17Å; A777-I780 WeakPolarHBondContact O-CG1 3.36Å; A777-I780 PolarHBondContact O-N 2.85Å; A777-Q785 PolarHBondContact O-NE2 2.96Å; A777-F787 HydrophobicContact CB-CD2 3.47Å; A777-F787 VanDerWaalsContact CB-CD2 3.47Å; A777-F787 HydrophobicContact CB-CE2 3.62Å; A777-F787 HydrophobicContact CB-CG 4.42Å; A777-M792 HydrophobicContact CB-SD 3.98Å |
| 778 | R | 89 | Confident | 88.2 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 37% | 0.37 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.3 | -16.8 | 176.1 | -77.6 | -178.3 | 162.2 | 157.5 | -1.9 | 114.8 | L774 G776 E789 M792 E796 | L774-R778 PolarHBondContact O-N 2.83Å; G776-R778 VanDerWaalsContact C-N 3.33Å; G776-R778 PolarHBondContact O-N 3Å; R778-E789 IonicContact NE-OE1 2.62Å; R778-E789 IonicContact NH2-OE1 3.17Å; R778-E789 PolarHBondContact NH2-OE1 2.82Å; R778-M792 HydrophobicContact CG-CE 4.45Å; R778-M792 HydrophobicContact CG-SD 3.72Å; R778-E796 IonicContact CZ-OE1 3.91Å; R778-E796 IonicContact CZ-OE2 2.66Å; R778-E796 IonicContact NH1-OE1 2.68Å; R778-E796 PolarHBondContact NH1-OE1 2.83Å; R778-E796 IonicContact NH1-OE2 3.39Å; R778-E796 PolarHBondContact NH1-OE2 2.86Å; R778-E796 IonicContact NH2-OE1 3.88Å; R778-E796 IonicContact NH2-OE2 3.67Å; R778-E796 PolarHBondContact NH2-OE2 2.92Å |
| 779 | L | 88.6 | Confident | 87.8 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 70% | 0.702 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.1 | 176.2 | -70.7 | 168.8 | 0 | 0 | 0 | 113.3 | K775 G776 A777 P781 | K775-L779 HydrophobicContact CG-CD1 4.29Å; K775-L779 WeakPolarHBondContact O-CD1 3.47Å; K775-L779 VanDerWaalsContact O-CG 3.29Å; K775-L779 WeakPolarHBondContact O-CG 3.46Å; K775-L779 PolarHBondContact O-N 2.83Å; G776-L779 PolarHBondContact O-N 3.34Å; A777-L779 VanDerWaalsContact C-N 3.29Å; A777-L779 PolarHBondContact O-N 3.17Å; L779-P781 WeakPolarHBondContact O-CD 3.36Å |
| 780 | I | 85.3 | Confident | 87.5 | Confident | 49 Ų | 49 | 72.8 Ų | 72.8 | 25% | 0.251 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -70.1 | 125.4 | 172.7 | -55.3 | 174.7 | 0 | 0 | 0 | 108.9 | G776 A777 D784 Q785 F787 | G776-I780 PolarHBondContact O-N 3.48Å; A777-I780 WeakPolarHBondContact O-CG1 3.36Å; A777-I780 PolarHBondContact O-N 2.85Å; I780-D784 HydrophobicContact CG2-CB 4.32Å; I780-D784 WeakPolarHBondContact CG2-O 3.46Å; I780-Q785 PolarHBondContact O-NE2 2.87Å; I780-F787 HydrophobicContact CD1-CD2 4.13Å; I780-F787 HydrophobicContact CD1-CE2 3.72Å |
| 781 | P | 82 | Confident | 87.4 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | trans | -58 | 141.9 | 178.9 | -25.4 | 34.9 | 0 | 0 | 0 | 112.8 | L779 M783 D784 Q785 | L779-P781 WeakPolarHBondContact O-CD 3.36Å; P781-M783 PolarHBondContact O-N 2.96Å; P781-D784 CarbonylContact O-C 3.54Å; P781-D784 WeakPolarHBondContact O-CA 3.36Å; P781-D784 PolarHBondContact O-N 2.65Å; P781-Q785 PolarHBondContact O-N 2.88Å | ||
| 782 | E | 76.1 | Confident | 87.2 | Confident | 182 Ų | 182 | 72.4 Ų | 72.4 | 85% | 0.85 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -51.9 | -34.6 | -172.7 | -170.3 | 177.5 | -163 | 0 | 0 | 114.6 | D784 | E782-D784 VanDerWaalsContact C-N 3.33Å; E782-D784 PolarHBondContact O-N 2.85Å |
| 783 | M | 72.9 | Confident | 87.2 | Confident | 135 Ų | 135 | 69.2 Ų | 69.2 | 67% | 0.665 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -67.1 | -31.5 | 176.9 | -68.4 | -123.8 | -66.9 | 0 | 0 | 114.1 | P781 R853 | P781-M783 PolarHBondContact O-N 2.96Å; M783-R853 PolarHBondContact O-NH1 3.46Å |
| 784 | D | 76.5 | Confident | 87.2 | Confident | 55 Ų | 55 | 70.3 Ų | 70.3 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -107.2 | 5.2 | -177.1 | -65.2 | -41.7 | 0 | 0 | 0 | 112.2 | I780 P781 E782 R855 | I780-D784 HydrophobicContact CG2-CB 4.32Å; I780-D784 WeakPolarHBondContact CG2-O 3.46Å; P781-D784 CarbonylContact O-C 3.54Å; P781-D784 WeakPolarHBondContact O-CA 3.36Å; P781-D784 PolarHBondContact O-N 2.65Å; E782-D784 VanDerWaalsContact C-N 3.33Å; E782-D784 PolarHBondContact O-N 2.85Å; D784-R855 IonicContact OD1-NH2 3.42Å; D784-R855 IonicContact OD2-CZ 3.66Å; D784-R855 IonicContact OD2-NE 3.5Å; D784-R855 IonicContact OD2-NH2 3.65Å; D784-R855 PolarHBondContact OD2-NH2 3.4Å |
| 785 | Q | 83.3 | Confident | 87.2 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | trans | -65.2 | 135.7 | -176.4 | -179.1 | 57.3 | -91.7 | 0 | 0 | 112.5 | A777 I780 P781 F787 | A777-Q785 PolarHBondContact O-NE2 2.96Å; I780-Q785 PolarHBondContact O-NE2 2.87Å; P781-Q785 PolarHBondContact O-N 2.88Å; Q785-F787 WeakPolarHBondContact CG-O 3.47Å | ||
| 786 | I | 84.8 | Confident | 87.3 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 26% | 0.256 | 35% | 0.354 | S | S | . | . | trans | -108.6 | -29.8 | -172.5 | -59.7 | 173.5 | 0 | 0 | 0 | 111.6 | K846 T850 | I786-K846 HydrophobicContact CG2-CG 4.49Å; I786-K846 VanDerWaalsContact O-CE 3.31Å; I786-K846 WeakPolarHBondContact O-CE 3.23Å; I786-T850 HydrophobicContact CG1-CG2 4.12Å; I786-T850 HydrophobicContact CG2-CG2 4.03Å; I786-T850 WeakPolarHBondContact CG2-OG1 3.24Å | ||
| 787 | F | 89.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -102.7 | 142.3 | -176 | -45 | -67.2 | 0 | 0 | 0 | 110.8 | F773 A777 I780 Q785 M792 L843 A847 | F773-F787 HydrophobicContact CE2-CZ 4.36Å; F773-F787 HydrophobicContact CZ-CE1 4.16Å; F773-F787 HydrophobicContact CZ-CE2 4.31Å; F773-F787 AromaticContact CZ-CZ 3.72Å; F773-F787 HydrophobicContact CZ-CZ 3.72Å; A777-F787 HydrophobicContact CB-CD2 3.47Å; A777-F787 VanDerWaalsContact CB-CD2 3.47Å; A777-F787 HydrophobicContact CB-CE2 3.62Å; A777-F787 HydrophobicContact CB-CG 4.42Å; I780-F787 HydrophobicContact CD1-CD2 4.13Å; I780-F787 HydrophobicContact CD1-CE2 3.72Å; Q785-F787 WeakPolarHBondContact CG-O 3.47Å; F787-M792 HydrophobicContact CB-CG 3.81Å; F787-M792 HydrophobicContact CB-SD 4.07Å; F787-L843 HydrophobicContact CD1-CB 4.12Å; F787-L843 HydrophobicContact CD1-CD2 3.96Å; F787-L843 HydrophobicContact CD1-CG 4.47Å; F787-L843 HydrophobicContact CE1-CB 3.89Å; F787-L843 WeakPolarHBondContact CE1-O 3.33Å; F787-A847 HydrophobicContact CE1-CB 4.16Å; F787-A847 HydrophobicContact CZ-CB 3.93Å |
| 788 | T | 90.1 | Very high | 87.9 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | trans | -82.4 | 154.1 | 173.3 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | V790 E791 M792 | T788-V790 PolarHBondContact O-N 2.81Å; T788-E791 WeakPolarHBondContact CB-OE2 3.42Å; T788-E791 WeakPolarHBondContact CG2-OE2 3.39Å; T788-E791 PolarHBondContact N-OE2 2.9Å; T788-E791 WeakPolarHBondContact O-CB 3.47Å; T788-E791 PolarHBondContact O-N 3.49Å; T788-E791 VanDerWaalsContact OG1-CG 3.27Å; T788-E791 WeakPolarHBondContact OG1-CG 3.24Å; T788-E791 PolarHBondContact OG1-N 2.93Å; T788-E791 PolarHBondContact OG1-OE2 3.38Å; T788-M792 PolarHBondContact O-N 2.77Å | ||
| 789 | E | 87.3 | Confident | 88.2 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -31.9 | 178 | -164.8 | 57.6 | -140.2 | 0 | 0 | 112.1 | R778 M792 T793 | R778-E789 IonicContact NE-OE1 2.62Å; R778-E789 IonicContact NH2-OE1 3.17Å; R778-E789 PolarHBondContact NH2-OE1 2.82Å; E789-M792 PolarHBondContact O-N 2.8Å; E789-M792 WeakPolarHBondContact OE2-CE 3.46Å; E789-T793 WeakPolarHBondContact O-CB 3.38Å; E789-T793 PolarHBondContact O-N 2.68Å; E789-T793 PolarHBondContact O-OG1 2.86Å |
| 790 | V | 90.1 | Very high | 88.6 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 66% | 0.655 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 174.9 | -178 | 0 | 0 | 0 | 0 | 111.1 | T788 T794 | T788-V790 PolarHBondContact O-N 2.81Å; V790-T794 VanDerWaalsContact O-CB 3.29Å; V790-T794 WeakPolarHBondContact O-CB 3.34Å; V790-T794 PolarHBondContact O-N 2.96Å; V790-T794 PolarHBondContact O-OG1 2.81Å |
| 791 | E | 92.1 | Very high | 89.1 | Confident | 27 Ų | 27 | 67 Ų | 67 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 177.4 | -75 | 161.5 | 144.7 | 0 | 0 | 111.7 | T788 T794 L795 Y842 L843 K846 | T788-E791 WeakPolarHBondContact CB-OE2 3.42Å; T788-E791 WeakPolarHBondContact CG2-OE2 3.39Å; T788-E791 PolarHBondContact N-OE2 2.9Å; T788-E791 WeakPolarHBondContact O-CB 3.47Å; T788-E791 PolarHBondContact O-N 3.49Å; T788-E791 VanDerWaalsContact OG1-CG 3.27Å; T788-E791 WeakPolarHBondContact OG1-CG 3.24Å; T788-E791 PolarHBondContact OG1-N 2.93Å; T788-E791 PolarHBondContact OG1-OE2 3.38Å; E791-T794 WeakPolarHBondContact O-CB 3.34Å; E791-T794 PolarHBondContact O-N 2.89Å; E791-L795 PolarHBondContact O-N 2.98Å; E791-Y842 HydrophobicContact CG-CE1 4.24Å; E791-Y842 WeakPolarHBondContact OE1-CE1 3.29Å; E791-Y842 PolarHBondContact OE1-OH 2.93Å; E791-L843 HydrophobicContact CB-CD2 3.81Å; E791-L843 HydrophobicContact CG-CD2 4.11Å; E791-K846 IonicContact OE1-NZ 2.66Å; E791-K846 PolarHBondContact OE1-NZ 2.62Å; E791-K846 IonicContact OE2-NZ 3.81Å; E791-K846 PolarHBondContact OE2-NZ 3.31Å |
| 792 | M | 91.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 177.5 | -67.4 | -170.9 | -70.1 | 0 | 0 | 111.9 | L774 A777 R778 F787 T788 E789 T794 L795 E796 | L774-M792 HydrophobicContact CD1-CB 3.89Å; L774-M792 HydrophobicContact CD1-CG 4.35Å; L774-M792 WeakPolarHBondContact CD1-O 3.37Å; A777-M792 HydrophobicContact CB-SD 3.98Å; R778-M792 HydrophobicContact CG-CE 4.45Å; R778-M792 HydrophobicContact CG-SD 3.72Å; F787-M792 HydrophobicContact CB-CG 3.81Å; F787-M792 HydrophobicContact CB-SD 4.07Å; T788-M792 PolarHBondContact O-N 2.77Å; E789-M792 PolarHBondContact O-N 2.8Å; E789-M792 WeakPolarHBondContact OE2-CE 3.46Å; M792-T794 VanDerWaalsContact C-N 3.29Å; M792-T794 PolarHBondContact O-N 3.19Å; M792-L795 PolarHBondContact O-N 3.12Å; M792-E796 WeakPolarHBondContact O-CB 3.49Å; M792-E796 PolarHBondContact O-N 2.82Å |
| 793 | T | 92.9 | Very high | 90.7 | Very high | 66 Ų | 66 | 58 Ų | 58 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -32.8 | 172.7 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | E789 K797 | E789-T793 WeakPolarHBondContact O-CB 3.38Å; E789-T793 PolarHBondContact O-N 2.68Å; E789-T793 PolarHBondContact O-OG1 2.86Å; T793-K797 VanDerWaalsContact O-CB 3.27Å; T793-K797 WeakPolarHBondContact O-CB 3.13Å; T793-K797 PolarHBondContact O-N 3.03Å |
| 794 | T | 93.2 | Very high | 91.8 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 36% | 0.362 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.6 | -46.9 | 176.3 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | V790 E791 M792 K797 V798 | V790-T794 VanDerWaalsContact O-CB 3.29Å; V790-T794 WeakPolarHBondContact O-CB 3.34Å; V790-T794 PolarHBondContact O-N 2.96Å; V790-T794 PolarHBondContact O-OG1 2.81Å; E791-T794 WeakPolarHBondContact O-CB 3.34Å; E791-T794 PolarHBondContact O-N 2.89Å; M792-T794 VanDerWaalsContact C-N 3.29Å; M792-T794 PolarHBondContact O-N 3.19Å; T794-K797 WeakPolarHBondContact O-CB 3.31Å; T794-K797 PolarHBondContact O-N 2.86Å; T794-V798 WeakPolarHBondContact O-CG2 3.46Å; T794-V798 PolarHBondContact O-N 2.96Å |
| 795 | L | 94 | Very high | 92.8 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 174.7 | 176.6 | 60.3 | 0 | 0 | 0 | 111.4 | F773 L774 E791 M792 K797 V798 I799 L836 E839 V840 L843 | F773-L795 HydrophobicContact CD1-CD2 3.8Å; F773-L795 HydrophobicContact CE1-CD2 4.19Å; L774-L795 HydrophobicContact CB-CD2 4.09Å; E791-L795 PolarHBondContact O-N 2.98Å; M792-L795 PolarHBondContact O-N 3.12Å; L795-K797 VanDerWaalsContact C-N 3.3Å; L795-K797 PolarHBondContact O-N 3.33Å; L795-V798 PolarHBondContact O-N 2.82Å; L795-V798 VanDerWaalsContact O-N 3.16Å; L795-I799 HydrophobicContact CD1-CD1 3.99Å; L795-I799 HydrophobicContact CD1-CG1 4.11Å; L795-I799 HydrophobicContact CD2-CD1 4.46Å; L795-I799 HydrophobicContact CG-CD1 3.81Å; L795-I799 HydrophobicContact CG-CG1 4.39Å; L795-I799 WeakPolarHBondContact O-CG1 3.31Å; L795-I799 PolarHBondContact O-N 2.99Å; L795-L836 HydrophobicContact CD1-CD1 3.92Å; L795-E839 HydrophobicContact CD1-CB 4.1Å; L795-V840 HydrophobicContact CD1-CG2 3.76Å; L795-V840 HydrophobicContact CD2-CG2 4.37Å; L795-L843 HydrophobicContact CB-CD1 4.24Å; L795-L843 HydrophobicContact CD2-CD1 3.99Å |
| 796 | E | 95.2 | Very high | 93.4 | Very high | 63 Ų | 63 | 53 Ų | 53 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.3 | -45.3 | 174.7 | -177.9 | 164.5 | -124.1 | 0 | 0 | 112 | L774 R778 M792 I799 N800 | L774-E796 HydrophobicContact CD2-CB 3.62Å; L774-E796 HydrophobicContact CD2-CG 4.09Å; R778-E796 IonicContact CZ-OE1 3.91Å; R778-E796 IonicContact CZ-OE2 2.66Å; R778-E796 IonicContact NH1-OE1 2.68Å; R778-E796 PolarHBondContact NH1-OE1 2.83Å; R778-E796 IonicContact NH1-OE2 3.39Å; R778-E796 PolarHBondContact NH1-OE2 2.86Å; R778-E796 IonicContact NH2-OE1 3.88Å; R778-E796 IonicContact NH2-OE2 3.67Å; R778-E796 PolarHBondContact NH2-OE2 2.92Å; M792-E796 WeakPolarHBondContact O-CB 3.49Å; M792-E796 PolarHBondContact O-N 2.82Å; E796-I799 PolarHBondContact O-N 3.23Å; E796-N800 WeakPolarHBondContact CG-ND2 3.46Å; E796-N800 WeakPolarHBondContact O-CB 3.41Å; E796-N800 VanDerWaalsContact O-CG 3.23Å; E796-N800 PolarHBondContact O-N 2.9Å; E796-N800 PolarHBondContact O-ND2 2.83Å |
| 797 | K | 95.5 | Very high | 93.9 | Very high | 118 Ų | 118 | 54.6 Ų | 54.6 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 175.6 | -179.4 | -179.7 | 172.4 | -177.8 | 0 | 111.7 | T793 T794 L795 N800 E801 | T793-K797 VanDerWaalsContact O-CB 3.27Å; T793-K797 WeakPolarHBondContact O-CB 3.13Å; T793-K797 PolarHBondContact O-N 3.03Å; T794-K797 WeakPolarHBondContact O-CB 3.31Å; T794-K797 PolarHBondContact O-N 2.86Å; L795-K797 VanDerWaalsContact C-N 3.3Å; L795-K797 PolarHBondContact O-N 3.33Å; K797-N800 PolarHBondContact O-N 3.45Å; K797-E801 WeakPolarHBondContact CE-OE1 3.17Å; K797-E801 WeakPolarHBondContact CE-OE2 3.42Å; K797-E801 HydrophobicContact CG-CG 4.23Å; K797-E801 IonicContact NZ-OE1 3.34Å; K797-E801 PolarHBondContact NZ-OE1 2.64Å; K797-E801 WeakPolarHBondContact O-CB 3.35Å; K797-E801 WeakPolarHBondContact O-CG 3.32Å; K797-E801 PolarHBondContact O-N 2.97Å |
| 798 | V | 95.4 | Very high | 94.2 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | -179.1 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | T794 L795 T802 L836 E839 | T794-V798 WeakPolarHBondContact O-CG2 3.46Å; T794-V798 PolarHBondContact O-N 2.96Å; L795-V798 PolarHBondContact O-N 2.82Å; L795-V798 VanDerWaalsContact O-N 3.16Å; V798-T802 WeakPolarHBondContact O-CB 3.25Å; V798-T802 PolarHBondContact O-N 3.41Å; V798-T802 PolarHBondContact O-OG1 2.99Å; V798-L836 HydrophobicContact CG1-CB 4.28Å; V798-L836 HydrophobicContact CG1-CD1 4.02Å; V798-E839 HydrophobicContact CG2-CG 4.29Å |
| 799 | I | 96.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -52.4 | 170.6 | -69.7 | 165.3 | 0 | 0 | 0 | 110 | L767 L774 L795 E796 T802 W803 L836 | L767-I799 HydrophobicContact CD2-CG2 4.34Å; L774-I799 HydrophobicContact CB-CD1 4.32Å; L774-I799 HydrophobicContact CD2-CD1 3.99Å; L795-I799 HydrophobicContact CD1-CD1 3.99Å; L795-I799 HydrophobicContact CD1-CG1 4.11Å; L795-I799 HydrophobicContact CD2-CD1 4.46Å; L795-I799 HydrophobicContact CG-CD1 3.81Å; L795-I799 HydrophobicContact CG-CG1 4.39Å; L795-I799 WeakPolarHBondContact O-CG1 3.31Å; L795-I799 PolarHBondContact O-N 2.99Å; E796-I799 PolarHBondContact O-N 3.23Å; I799-T802 PolarHBondContact O-N 3.34Å; I799-T802 VanDerWaalsContact O-N 3.15Å; I799-W803 PolarHBondContact O-N 3.44Å; I799-L836 HydrophobicContact CG1-CD1 3.67Å |
| 800 | N | 95.8 | Very high | 94.7 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | -176.3 | -71.7 | -26 | 0 | 0 | 0 | 112.8 | E796 K797 T802 W803 A804 | E796-N800 WeakPolarHBondContact CG-ND2 3.46Å; E796-N800 WeakPolarHBondContact O-CB 3.41Å; E796-N800 VanDerWaalsContact O-CG 3.23Å; E796-N800 PolarHBondContact O-N 2.9Å; E796-N800 PolarHBondContact O-ND2 2.83Å; K797-N800 PolarHBondContact O-N 3.45Å; N800-T802 PolarHBondContact O-N 2.56Å; N800-W803 PolarHBondContact O-N 2.88Å; N800-A804 WeakPolarHBondContact O-CB 3.36Å; N800-A804 PolarHBondContact O-N 2.88Å |
| 801 | E | 95.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.6 | -20.7 | 173.9 | -73.8 | -176.4 | 159.2 | 0 | 0 | 113 | K797 W805 K832 | K797-E801 WeakPolarHBondContact CE-OE1 3.17Å; K797-E801 WeakPolarHBondContact CE-OE2 3.42Å; K797-E801 HydrophobicContact CG-CG 4.23Å; K797-E801 IonicContact NZ-OE1 3.34Å; K797-E801 PolarHBondContact NZ-OE1 2.64Å; K797-E801 WeakPolarHBondContact O-CB 3.35Å; K797-E801 WeakPolarHBondContact O-CG 3.32Å; K797-E801 PolarHBondContact O-N 2.97Å; E801-W805 WeakPolarHBondContact O-CB 3.32Å; E801-W805 PolarHBondContact O-N 3.48Å; E801-K832 PolarHBondContact O-NZ 2.88Å; E801-K832 VanDerWaalsContact O-NZ 3.11Å |
| 802 | T | 96.5 | Very high | 95 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -87 | -43.2 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | L763 L767 V798 I799 N800 W805 K806 K832 | L763-T802 HydrophobicContact CD1-CG2 3.81Å; L767-T802 HydrophobicContact CD1-CG2 4.34Å; L767-T802 HydrophobicContact CD2-CG2 3.89Å; L767-T802 HydrophobicContact CG-CG2 4.4Å; V798-T802 WeakPolarHBondContact O-CB 3.25Å; V798-T802 PolarHBondContact O-N 3.41Å; V798-T802 PolarHBondContact O-OG1 2.99Å; I799-T802 PolarHBondContact O-N 3.34Å; I799-T802 VanDerWaalsContact O-N 3.15Å; N800-T802 PolarHBondContact O-N 2.56Å; T802-W805 PolarHBondContact O-N 2.76Å; T802-K806 VanDerWaalsContact O-CB 3.28Å; T802-K806 WeakPolarHBondContact O-CB 3.29Å; T802-K806 PolarHBondContact O-N 2.77Å; T802-K832 HydrophobicContact CG2-CB 4.11Å; T802-K832 HydrophobicContact CG2-CD 4.14Å |
| 803 | W | 96.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 28% | 0.277 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 169.9 | -95.8 | 122 | 0 | 0 | 0 | 112.3 | D764 L767 I799 N800 W805 K806 N807 | D764-W803 WeakPolarHBondContact OD1-CH2 3.5Å; L767-W803 HydrophobicContact CB-CZ2 4.26Å; L767-W803 HydrophobicContact CD1-CD2 3.99Å; L767-W803 HydrophobicContact CD1-CE3 4.38Å; L767-W803 HydrophobicContact CD1-CG 4.33Å; L767-W803 HydrophobicContact CD1-CZ2 4.24Å; L767-W803 HydrophobicContact CD2-CG 4.25Å; I799-W803 PolarHBondContact O-N 3.44Å; N800-W803 PolarHBondContact O-N 2.88Å; W803-W805 PolarHBondContact O-N 2.81Å; W803-K806 HydrophobicContact CE3-CD 4.3Å; W803-K806 HydrophobicContact CZ3-CD 4.1Å; W803-K806 PolarHBondContact O-N 2.89Å; W803-N807 WeakPolarHBondContact O-CB 3.39Å; W803-N807 VanDerWaalsContact O-CG 3.27Å; W803-N807 PolarHBondContact O-N 3.31Å |
| 804 | A | 96 | Very high | 95.1 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N800 A808 | N800-A804 WeakPolarHBondContact O-CB 3.36Å; N800-A804 PolarHBondContact O-N 2.88Å; A804-A808 WeakPolarHBondContact O-CB 3.34Å; A804-A808 PolarHBondContact O-N 3.04Å |
| 805 | W | 96.9 | Very high | 95.2 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 21% | 0.205 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 174.1 | 170 | 79.3 | 0 | 0 | 0 | 112.1 | L763 E801 T802 W803 N807 A808 T809 L824 D828 I829 K832 | L763-W805 HydrophobicContact CD2-CZ3 4.06Å; E801-W805 WeakPolarHBondContact O-CB 3.32Å; E801-W805 PolarHBondContact O-N 3.48Å; T802-W805 PolarHBondContact O-N 2.76Å; W803-W805 PolarHBondContact O-N 2.81Å; W805-N807 VanDerWaalsContact C-N 3.32Å; W805-N807 PolarHBondContact O-N 3.12Å; W805-A808 PolarHBondContact O-N 2.99Å; W805-T809 PolarHBondContact NE1-OG1 3.16Å; W805-T809 WeakPolarHBondContact O-CB 3.25Å; W805-T809 PolarHBondContact O-N 3.41Å; W805-T809 PolarHBondContact O-OG1 2.74Å; W805-L824 HydrophobicContact CH2-CD1 4.46Å; W805-D828 HydrophobicContact CH2-CB 4.41Å; W805-D828 HydrophobicContact CZ2-CB 3.86Å; W805-I829 HydrophobicContact CH2-CB 4.46Å; W805-I829 HydrophobicContact CH2-CG1 3.88Å; W805-I829 HydrophobicContact CZ3-CG1 4.48Å; W805-K832 HydrophobicContact CD2-CD 4.05Å; W805-K832 HydrophobicContact CD2-CG 3.95Å; W805-K832 HydrophobicContact CE3-CB 4.31Å; W805-K832 HydrophobicContact CE3-CD 3.93Å; W805-K832 HydrophobicContact CE3-CG 3.63Å; W805-K832 HydrophobicContact CG-CD 4.34Å; W805-K832 VanDerWaalsContact CG-CE 3.45Å; W805-K832 HydrophobicContact CH2-CG 4.15Å; W805-K832 HydrophobicContact CZ2-CG 4.43Å; W805-K832 HydrophobicContact CZ3-CB 4.12Å; W805-K832 HydrophobicContact CZ3-CG 3.75Å |
| 806 | K | 96.1 | Very high | 95.1 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.2 | -49 | -178 | -173.2 | -148.5 | 179.7 | -156.7 | 0 | 110.5 | L763 D764 L767 T802 W803 L810 | L763-K806 HydrophobicContact CD2-CB 4.34Å; L763-K806 HydrophobicContact CD2-CD 4.26Å; L763-K806 HydrophobicContact CD2-CG 3.95Å; D764-K806 IonicContact OD1-NZ 3.77Å; D764-K806 PolarHBondContact OD1-NZ 3.41Å; D764-K806 IonicContact OD2-NZ 3.68Å; D764-K806 PolarHBondContact OD2-NZ 3.45Å; L767-K806 HydrophobicContact CD1-CD 4.44Å; T802-K806 VanDerWaalsContact O-CB 3.28Å; T802-K806 WeakPolarHBondContact O-CB 3.29Å; T802-K806 PolarHBondContact O-N 2.77Å; W803-K806 HydrophobicContact CE3-CD 4.3Å; W803-K806 HydrophobicContact CZ3-CD 4.1Å; W803-K806 PolarHBondContact O-N 2.89Å; K806-L810 HydrophobicContact CD-CD1 4.28Å; K806-L810 HydrophobicContact CG-CD1 3.99Å; K806-L810 VanDerWaalsContact O-CB 3.29Å; K806-L810 WeakPolarHBondContact O-CB 3.44Å; K806-L810 VanDerWaalsContact O-CG 3.29Å; K806-L810 WeakPolarHBondContact O-CG 3.38Å; K806-L810 PolarHBondContact O-N 3.31Å |
| 807 | N | 95.3 | Very high | 95 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | -177.9 | -66.4 | -9.8 | 0 | 0 | 0 | 112 | W803 W805 A811 | W803-N807 WeakPolarHBondContact O-CB 3.39Å; W803-N807 VanDerWaalsContact O-CG 3.27Å; W803-N807 PolarHBondContact O-N 3.31Å; W805-N807 VanDerWaalsContact C-N 3.32Å; W805-N807 PolarHBondContact O-N 3.12Å; N807-A811 VanDerWaalsContact O-CB 3.26Å; N807-A811 WeakPolarHBondContact O-CB 3.49Å; N807-A811 PolarHBondContact O-N 3.5Å |
| 808 | A | 95.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -51.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A804 W805 L810 A811 E812 | A804-A808 WeakPolarHBondContact O-CB 3.34Å; A804-A808 PolarHBondContact O-N 3.04Å; W805-A808 PolarHBondContact O-N 2.99Å; A808-L810 PolarHBondContact O-N 3.39Å; A808-A811 CarbonylContact O-C 3.59Å; A808-A811 PolarHBondContact O-N 2.95Å; A808-A811 VanDerWaalsContact O-N 3.11Å; A808-E812 WeakPolarHBondContact O-CG 3.36Å; A808-E812 PolarHBondContact O-N 3.01Å |
| 809 | T | 94.7 | Very high | 94.5 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.2 | -32.2 | -178.4 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | W805 E812 Q813 L824 | W805-T809 PolarHBondContact NE1-OG1 3.16Å; W805-T809 WeakPolarHBondContact O-CB 3.25Å; W805-T809 PolarHBondContact O-N 3.41Å; W805-T809 PolarHBondContact O-OG1 2.74Å; T809-E812 PolarHBondContact O-N 3.37Å; T809-Q813 VanDerWaalsContact O-CB 3.25Å; T809-Q813 WeakPolarHBondContact O-CB 3.4Å; T809-Q813 PolarHBondContact O-N 3.41Å; T809-L824 HydrophobicContact CG2-CB 4.1Å; T809-L824 HydrophobicContact CG2-CD1 3.9Å |
| 810 | L | 94.8 | Very high | 94.3 | Very high | 57 Ų | 57 | 62 Ų | 62 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 167.7 | -78.9 | 168.9 | 0 | 0 | 0 | 112 | L760 K806 A808 E812 Q813 A814 L824 | L760-L810 HydrophobicContact CD1-CD2 4.09Å; L760-L810 HydrophobicContact CD2-CD2 4.44Å; K806-L810 HydrophobicContact CD-CD1 4.28Å; K806-L810 HydrophobicContact CG-CD1 3.99Å; K806-L810 VanDerWaalsContact O-CB 3.29Å; K806-L810 WeakPolarHBondContact O-CB 3.44Å; K806-L810 VanDerWaalsContact O-CG 3.29Å; K806-L810 WeakPolarHBondContact O-CG 3.38Å; K806-L810 PolarHBondContact O-N 3.31Å; A808-L810 PolarHBondContact O-N 3.39Å; L810-E812 VanDerWaalsContact C-N 3.25Å; L810-E812 PolarHBondContact O-N 3.25Å; L810-Q813 PolarHBondContact O-N 3.32Å; L810-A814 WeakPolarHBondContact O-CB 3.36Å; L810-A814 PolarHBondContact O-N 3.25Å; L810-L824 HydrophobicContact CD2-CD2 3.85Å |
| 811 | A | 94.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 64.4 Ų | 64.4 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.7 | -15.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N807 A808 K815 | N807-A811 VanDerWaalsContact O-CB 3.26Å; N807-A811 WeakPolarHBondContact O-CB 3.49Å; N807-A811 PolarHBondContact O-N 3.5Å; A808-A811 CarbonylContact O-C 3.59Å; A808-A811 PolarHBondContact O-N 2.95Å; A808-A811 VanDerWaalsContact O-N 3.11Å; A811-K815 WeakPolarHBondContact O-CD 3.2Å; A811-K815 WeakPolarHBondContact O-CE 3.38Å; A811-K815 WeakPolarHBondContact O-CG 3.31Å; A811-K815 PolarHBondContact O-NZ 2.81Å |
| 812 | E | 94.3 | Very high | 94.1 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -83.8 | -46.5 | 166.7 | -72.3 | 175.9 | 162.7 | 0 | 0 | 110.9 | A808 T809 L810 A814 K815 V823 | A808-E812 WeakPolarHBondContact O-CG 3.36Å; A808-E812 PolarHBondContact O-N 3.01Å; T809-E812 PolarHBondContact O-N 3.37Å; L810-E812 VanDerWaalsContact C-N 3.25Å; L810-E812 PolarHBondContact O-N 3.25Å; E812-A814 VanDerWaalsContact C-N 3.28Å; E812-A814 PolarHBondContact O-N 3.19Å; E812-K815 WeakPolarHBondContact O-CB 3.43Å; E812-K815 PolarHBondContact O-N 2.84Å; E812-V823 HydrophobicContact CB-CG2 4.12Å |
| 813 | Q | 93.9 | Very high | 94 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 6% | 0.056 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -36.2 | 178.2 | -175.8 | 56.6 | 74 | 0 | 0 | 112.8 | W756 T809 L810 K815 L816 V823 L824 | W756-Q813 HydrophobicContact CH2-CG 3.76Å; W756-Q813 HydrophobicContact CZ2-CG 4.35Å; W756-Q813 HydrophobicContact CZ3-CG 4.19Å; T809-Q813 VanDerWaalsContact O-CB 3.25Å; T809-Q813 WeakPolarHBondContact O-CB 3.4Å; T809-Q813 PolarHBondContact O-N 3.41Å; L810-Q813 PolarHBondContact O-N 3.32Å; Q813-K815 PolarHBondContact O-N 2.76Å; Q813-L816 PolarHBondContact O-N 3.34Å; Q813-V823 HydrophobicContact CB-CG2 4.01Å; Q813-L824 HydrophobicContact CB-CB 4Å; Q813-L824 HydrophobicContact CG-CB 3.89Å |
| 814 | A | 92.4 | Very high | 93.9 | Very high | 90 Ų | 90 | 59.5 Ų | 59.5 | 74% | 0.744 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L810 E812 | L810-A814 WeakPolarHBondContact O-CB 3.36Å; L810-A814 PolarHBondContact O-N 3.25Å; E812-A814 VanDerWaalsContact C-N 3.28Å; E812-A814 PolarHBondContact O-N 3.19Å |
| 815 | K | 93.6 | Very high | 93.9 | Very high | 157 Ų | 157 | 58.3 Ų | 58.3 | 68% | 0.683 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -12.6 | 175.6 | -62.5 | 165.4 | -174.4 | 140.4 | 0 | 113.1 | A811 E812 Q813 | A811-K815 WeakPolarHBondContact O-CD 3.2Å; A811-K815 WeakPolarHBondContact O-CE 3.38Å; A811-K815 WeakPolarHBondContact O-CG 3.31Å; A811-K815 PolarHBondContact O-NZ 2.81Å; E812-K815 WeakPolarHBondContact O-CB 3.43Å; E812-K815 PolarHBondContact O-N 2.84Å; Q813-K815 PolarHBondContact O-N 2.76Å |
| 816 | L | 92.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -95.6 | 136.8 | -175.9 | -58.6 | -179.5 | 0 | 0 | 0 | 110.8 | Q813 V823 | Q813-L816 PolarHBondContact O-N 3.34Å; L816-V823 HydrophobicContact CD1-CB 4.36Å; L816-V823 HydrophobicContact CD1-CG1 3.75Å; L816-V823 HydrophobicContact CD1-CG2 3.84Å |
| 817 | P | 92.5 | Very high | 93.8 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | trans | -54 | 149.9 | 169 | -24.9 | 34.1 | 0 | 0 | 0 | 112.2 | T819 E820 | P817-T819 WeakPolarHBondContact CB-OG1 3.4Å; P817-T819 PolarHBondContact O-N 2.91Å; P817-T819 VanDerWaalsContact O-N 3.15Å; P817-E820 HydrophobicContact CB-CG 4.32Å; P817-E820 HydrophobicContact CG-CG 4.2Å; P817-E820 PolarHBondContact O-N 3.04Å | ||
| 818 | A | 90.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 21% | 0.207 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E699 V700 | E699-A818 HydrophobicContact CG-CB 4.23Å; E699-A818 VanDerWaalsContact O-CB 3.24Å; E699-A818 WeakPolarHBondContact O-CB 3.39Å; V700-A818 WeakPolarHBondContact CA-O 3.37Å; V700-A818 WeakPolarHBondContact CB-O 3.31Å |
| 819 | T | 91.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -15 | 173.2 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | T702 R749 P817 | T702-T819 HydrophobicContact CG2-CG2 4.01Å; R749-T819 WeakPolarHBondContact CD-O 3.38Å; R749-T819 PolarHBondContact NH1-O 2.78Å; P817-T819 WeakPolarHBondContact CB-OG1 3.4Å; P817-T819 PolarHBondContact O-N 2.91Å; P817-T819 VanDerWaalsContact O-N 3.15Å |
| 820 | E | 91.8 | Very high | 93.9 | Very high | 100 Ų | 100 | 62.1 Ų | 62.1 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -84.2 | 165.5 | 176.8 | -74.5 | -167.5 | -158 | 0 | 0 | 112.5 | R749 P817 | R749-E820 WeakPolarHBondContact CD-O 3.4Å; P817-E820 HydrophobicContact CB-CG 4.32Å; P817-E820 HydrophobicContact CG-CG 4.2Å; P817-E820 PolarHBondContact O-N 3.04Å |
| 821 | K | 92.2 | Very high | 93.9 | Very high | 141 Ų | 141 | 61.8 Ų | 61.8 | 61% | 0.613 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 128.4 | 175.8 | -172.5 | -168.2 | 172.1 | -170.7 | 0 | 109 | F748 | F748-K821 HydrophobicContact CD1-CG 4.37Å; F748-K821 HydrophobicContact CE1-CD 4.4Å; F748-K821 HydrophobicContact CE1-CG 3.87Å |
| 822 | P | 93.9 | Very high | 94 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.045 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 149 | 177.7 | 24.2 | -33.9 | 0 | 0 | 0 | 113.6 | F748 E752 W756 L825 | F748-P822 HydrophobicContact CD1-CG 4.49Å; F748-P822 HydrophobicContact CE1-CG 3.86Å; E752-P822 HydrophobicContact CB-CG 4.05Å; E752-P822 HydrophobicContact CG-CG 4.01Å; W756-P822 HydrophobicContact CH2-CB 4.02Å; W756-P822 HydrophobicContact CZ2-CB 3.55Å; W756-P822 HydrophobicContact CZ2-CG 4.32Å; P822-L825 HydrophobicContact CB-CD2 4.48Å; P822-L825 HydrophobicContact CG-CD2 4.24Å; P822-L825 WeakPolarHBondContact O-CD2 3.23Å |
| 823 | V | 94.4 | Very high | 94.1 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -101 | -25.6 | 168.5 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | E812 Q813 L816 L825 | E812-V823 HydrophobicContact CB-CG2 4.12Å; Q813-V823 HydrophobicContact CB-CG2 4.01Å; L816-V823 HydrophobicContact CD1-CB 4.36Å; L816-V823 HydrophobicContact CD1-CG1 3.75Å; L816-V823 HydrophobicContact CD1-CG2 3.84Å; V823-L825 PolarHBondContact O-N 2.91Å; V823-L825 VanDerWaalsContact O-N 3.17Å |
| 824 | L | 94.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -77 | 98 | 165.2 | -178 | 69.7 | 0 | 0 | 0 | 108.2 | W756 L760 W805 T809 L810 Q813 I829 | W756-L824 HydrophobicContact CD2-CD2 3.9Å; W756-L824 HydrophobicContact CE3-CD2 4.44Å; W756-L824 HydrophobicContact CG-CD2 4.01Å; W756-L824 HydrophobicContact CZ2-CB 4.15Å; W756-L824 HydrophobicContact CZ2-CD2 4.49Å; W756-L824 WeakPolarHBondContact CZ2-O 3.34Å; W756-L824 PolarHBondContact NE1-O 2.78Å; L760-L824 HydrophobicContact CD1-CD2 4.16Å; L760-L824 HydrophobicContact CD2-CD2 4.32Å; W805-L824 HydrophobicContact CH2-CD1 4.46Å; T809-L824 HydrophobicContact CG2-CB 4.1Å; T809-L824 HydrophobicContact CG2-CD1 3.9Å; L810-L824 HydrophobicContact CD2-CD2 3.85Å; Q813-L824 HydrophobicContact CB-CB 4Å; Q813-L824 HydrophobicContact CG-CB 3.89Å; L824-I829 HydrophobicContact CD1-CD1 4.01Å; L824-I829 HydrophobicContact CD1-CG1 4.09Å; L824-I829 HydrophobicContact CD2-CD1 4.47Å; L824-I829 HydrophobicContact CG-CD1 4.2Å |
| 825 | L | 96.3 | Very high | 94.3 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | trans | -96.9 | 130.7 | 177.7 | -58.6 | -172.9 | 0 | 0 | 0 | 111.1 | F748 P822 V823 K827 D828 I829 | F748-L825 HydrophobicContact CE1-CD2 4.36Å; F748-L825 HydrophobicContact CZ-CD2 3.82Å; P822-L825 HydrophobicContact CB-CD2 4.48Å; P822-L825 HydrophobicContact CG-CD2 4.24Å; P822-L825 WeakPolarHBondContact O-CD2 3.23Å; V823-L825 PolarHBondContact O-N 2.91Å; V823-L825 VanDerWaalsContact O-N 3.17Å; L825-K827 PolarHBondContact O-N 3.48Å; L825-K827 VanDerWaalsContact O-N 3.14Å; L825-D828 HydrophobicContact CB-CB 4.41Å; L825-D828 PolarHBondContact O-N 3.41Å; L825-I829 PolarHBondContact O-N 3.36Å; L825-I829 VanDerWaalsContact O-N 3.17Å | ||
| 826 | S | 94.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -28.5 | -179.1 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | E752 R759 E830 | E752-S826 PolarHBondContact OE1-N 2.7Å; E752-S826 WeakPolarHBondContact OE2-CB 3.32Å; E752-S826 PolarHBondContact OE2-N 3.33Å; E752-S826 PolarHBondContact OE2-OG 3.15Å; R759-S826 VanDerWaalsContact NH1-C 3.25Å; R759-S826 PolarHBondContact NH1-O 2.86Å; S826-E830 PolarHBondContact O-N 3.23Å |
| 827 | K | 95.4 | Very high | 94.4 | Very high | 151 Ų | 151 | 55 Ų | 55 | 66% | 0.657 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.2 | -34.4 | 172.7 | 177.8 | 178.6 | 173.4 | -178.5 | 0 | 113.5 | L825 E830 A831 | L825-K827 PolarHBondContact O-N 3.48Å; L825-K827 VanDerWaalsContact O-N 3.14Å; K827-E830 WeakPolarHBondContact CA-OE2 3.37Å; K827-E830 PolarHBondContact O-N 2.67Å; K827-A831 WeakPolarHBondContact O-CB 3.17Å; K827-A831 PolarHBondContact O-N 2.66Å |
| 828 | D | 96.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -78.3 | -29.3 | -179.6 | -63.3 | -25.9 | 0 | 0 | 0 | 110.4 | W805 L825 A831 K832 | W805-D828 HydrophobicContact CH2-CB 4.41Å; W805-D828 HydrophobicContact CZ2-CB 3.86Å; L825-D828 HydrophobicContact CB-CB 4.41Å; L825-D828 PolarHBondContact O-N 3.41Å; D828-A831 PolarHBondContact O-N 3.3Å; D828-K832 WeakPolarHBondContact O-CB 3.38Å; D828-K832 VanDerWaalsContact O-CG 3.3Å; D828-K832 WeakPolarHBondContact O-CG 3.13Å; D828-K832 PolarHBondContact O-N 2.67Å |
| 829 | I | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -52 | 165 | -58 | 172.2 | 0 | 0 | 0 | 110.4 | R759 L760 L763 W805 L824 L825 A831 K832 M833 | R759-I829 HydrophobicContact CB-CD1 4.1Å; R759-I829 HydrophobicContact CB-CG2 3.97Å; L760-I829 HydrophobicContact CD2-CD1 3.97Å; L760-I829 HydrophobicContact CG-CD1 4.25Å; L763-I829 HydrophobicContact CB-CG2 4.11Å; L763-I829 HydrophobicContact CD2-CG2 4.12Å; W805-I829 HydrophobicContact CH2-CB 4.46Å; W805-I829 HydrophobicContact CH2-CG1 3.88Å; W805-I829 HydrophobicContact CZ3-CG1 4.48Å; L824-I829 HydrophobicContact CD1-CD1 4.01Å; L824-I829 HydrophobicContact CD1-CG1 4.09Å; L824-I829 HydrophobicContact CD2-CD1 4.47Å; L824-I829 HydrophobicContact CG-CD1 4.2Å; L825-I829 PolarHBondContact O-N 3.36Å; L825-I829 VanDerWaalsContact O-N 3.17Å; I829-A831 VanDerWaalsContact C-N 3.33Å; I829-A831 PolarHBondContact O-N 3.23Å; I829-K832 PolarHBondContact O-N 3.03Å; I829-K832 VanDerWaalsContact O-N 3.14Å; I829-M833 HydrophobicContact CG2-CG 4.37Å; I829-M833 HydrophobicContact CG2-SD 3.91Å; I829-M833 WeakPolarHBondContact O-CG 3.27Å; I829-M833 PolarHBondContact O-N 3.33Å |
| 830 | E | 95.4 | Very high | 94.7 | Very high | 75 Ų | 75 | 57.7 Ų | 57.7 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.7 | -43.7 | 175.8 | -77.7 | 168 | 151.5 | 0 | 0 | 112.4 | R759 S826 K827 K832 M833 M834 | R759-E830 IonicContact CZ-OE1 3.63Å; R759-E830 IonicContact CZ-OE2 3.99Å; R759-E830 IonicContact NH1-OE1 3.59Å; R759-E830 PolarHBondContact NH1-OE1 3.45Å; R759-E830 IonicContact NH1-OE2 3.78Å; R759-E830 PolarHBondContact NH1-OE2 2.88Å; R759-E830 IonicContact NH2-OE1 2.76Å; R759-E830 PolarHBondContact NH2-OE1 2.77Å; R759-E830 IonicContact NH2-OE2 2.84Å; S826-E830 PolarHBondContact O-N 3.23Å; K827-E830 WeakPolarHBondContact CA-OE2 3.37Å; K827-E830 PolarHBondContact O-N 2.67Å; E830-K832 VanDerWaalsContact C-N 3.29Å; E830-K832 PolarHBondContact O-N 3.05Å; E830-M833 PolarHBondContact O-N 2.89Å; E830-M834 HydrophobicContact CB-CE 4.26Å; E830-M834 WeakPolarHBondContact O-CB 3.35Å; E830-M834 WeakPolarHBondContact O-CE 3.35Å; E830-M834 WeakPolarHBondContact O-CG 3.47Å; E830-M834 PolarHBondContact O-N 3.11Å |
| 831 | A | 96.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K827 D828 I829 A835 | K827-A831 WeakPolarHBondContact O-CB 3.17Å; K827-A831 PolarHBondContact O-N 2.66Å; D828-A831 PolarHBondContact O-N 3.3Å; I829-A831 VanDerWaalsContact C-N 3.33Å; I829-A831 PolarHBondContact O-N 3.23Å; A831-A835 WeakPolarHBondContact O-CB 3.38Å; A831-A835 PolarHBondContact O-N 3.13Å; A831-A835 VanDerWaalsContact O-N 3.13Å |
| 832 | K | 96.4 | Very high | 94.8 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.7 | -41.7 | 175.3 | -74.5 | -84.3 | -176.7 | 169 | 0 | 112.2 | E801 T802 W805 D828 I829 E830 A835 L836 | E801-K832 PolarHBondContact O-NZ 2.88Å; E801-K832 VanDerWaalsContact O-NZ 3.11Å; T802-K832 HydrophobicContact CG2-CB 4.11Å; T802-K832 HydrophobicContact CG2-CD 4.14Å; W805-K832 HydrophobicContact CD2-CD 4.05Å; W805-K832 HydrophobicContact CD2-CG 3.95Å; W805-K832 HydrophobicContact CE3-CB 4.31Å; W805-K832 HydrophobicContact CE3-CD 3.93Å; W805-K832 HydrophobicContact CE3-CG 3.63Å; W805-K832 HydrophobicContact CG-CD 4.34Å; W805-K832 VanDerWaalsContact CG-CE 3.45Å; W805-K832 HydrophobicContact CH2-CG 4.15Å; W805-K832 HydrophobicContact CZ2-CG 4.43Å; W805-K832 HydrophobicContact CZ3-CB 4.12Å; W805-K832 HydrophobicContact CZ3-CG 3.75Å; D828-K832 WeakPolarHBondContact O-CB 3.38Å; D828-K832 VanDerWaalsContact O-CG 3.3Å; D828-K832 WeakPolarHBondContact O-CG 3.13Å; D828-K832 PolarHBondContact O-N 2.67Å; I829-K832 PolarHBondContact O-N 3.03Å; I829-K832 VanDerWaalsContact O-N 3.14Å; E830-K832 VanDerWaalsContact C-N 3.29Å; E830-K832 PolarHBondContact O-N 3.05Å; K832-A835 PolarHBondContact O-N 3.27Å; K832-L836 WeakPolarHBondContact O-CB 3.45Å; K832-L836 PolarHBondContact O-N 2.94Å |
| 833 | M | 95.9 | Very high | 94.7 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 173.8 | -68.9 | 171.4 | 68.5 | 0 | 0 | 111.5 | A762 L763 L766 I829 E830 A835 L836 D837 | A762-M833 HydrophobicContact CB-CE 3.57Å; A762-M833 HydrophobicContact CB-SD 4.39Å; L763-M833 HydrophobicContact CB-CG 4.02Å; L763-M833 HydrophobicContact CB-SD 4.27Å; L763-M833 HydrophobicContact CD1-CG 3.77Å; L763-M833 HydrophobicContact CG-CG 4.46Å; L766-M833 HydrophobicContact CD2-CB 4.02Å; L766-M833 HydrophobicContact CD2-CG 4.33Å; L766-M833 WeakPolarHBondContact CD2-O 3.31Å; I829-M833 HydrophobicContact CG2-CG 4.37Å; I829-M833 HydrophobicContact CG2-SD 3.91Å; I829-M833 WeakPolarHBondContact O-CG 3.27Å; I829-M833 PolarHBondContact O-N 3.33Å; E830-M833 PolarHBondContact O-N 2.89Å; M833-A835 VanDerWaalsContact C-N 3.31Å; M833-A835 PolarHBondContact O-N 3.01Å; M833-L836 PolarHBondContact O-N 2.84Å; M833-D837 PolarHBondContact O-N 3.44Å |
| 834 | M | 95.6 | Very high | 94.4 | Very high | 129 Ų | 129 | 54.6 Ų | 54.6 | 64% | 0.635 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.2 | -35.5 | 177.4 | -74.6 | -174.7 | -76.2 | 0 | 0 | 113.1 | E830 R838 | E830-M834 HydrophobicContact CB-CE 4.26Å; E830-M834 WeakPolarHBondContact O-CB 3.35Å; E830-M834 WeakPolarHBondContact O-CE 3.35Å; E830-M834 WeakPolarHBondContact O-CG 3.47Å; E830-M834 PolarHBondContact O-N 3.11Å; M834-R838 WeakPolarHBondContact O-CB 3.42Å; M834-R838 PolarHBondContact O-N 2.79Å |
| 835 | A | 94.1 | Very high | 94.2 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A831 K832 M833 | A831-A835 WeakPolarHBondContact O-CB 3.38Å; A831-A835 PolarHBondContact O-N 3.13Å; A831-A835 VanDerWaalsContact O-N 3.13Å; K832-A835 PolarHBondContact O-N 3.27Å; M833-A835 VanDerWaalsContact C-N 3.31Å; M833-A835 PolarHBondContact O-N 3.01Å |
| 836 | L | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.5 | -49.3 | -179.8 | 178.8 | 58.7 | 0 | 0 | 0 | 112.4 | L766 L767 S770 L795 V798 I799 K832 M833 R838 E839 V840 | L766-L836 HydrophobicContact CD2-CB 4.16Å; L766-L836 HydrophobicContact CD2-CD2 4.09Å; L766-L836 HydrophobicContact CD2-CG 4.2Å; L766-L836 HydrophobicContact CG-CD2 3.88Å; L766-L836 HydrophobicContact CG-CG 4.16Å; L767-L836 HydrophobicContact CD2-CD2 3.65Å; L767-L836 HydrophobicContact CG-CD2 3.99Å; S770-L836 WeakPolarHBondContact OG-CG 3.29Å; L795-L836 HydrophobicContact CD1-CD1 3.92Å; V798-L836 HydrophobicContact CG1-CB 4.28Å; V798-L836 HydrophobicContact CG1-CD1 4.02Å; I799-L836 HydrophobicContact CG1-CD1 3.67Å; K832-L836 WeakPolarHBondContact O-CB 3.45Å; K832-L836 PolarHBondContact O-N 2.94Å; M833-L836 PolarHBondContact O-N 2.84Å; L836-R838 VanDerWaalsContact C-N 3.29Å; L836-R838 PolarHBondContact O-N 2.65Å; L836-E839 PolarHBondContact O-N 3.31Å; L836-V840 PolarHBondContact O-N 2.66Å |
| 837 | D | 94.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 178.5 | 176.3 | 69.3 | 0 | 0 | 0 | 111.3 | L766 M833 E839 V840 Q841 | L766-D837 HydrophobicContact CD1-CB 4.26Å; L766-D837 HydrophobicContact CD2-CB 4.17Å; M833-D837 PolarHBondContact O-N 3.44Å; D837-E839 VanDerWaalsContact C-N 3.29Å; D837-E839 PolarHBondContact O-N 3.24Å; D837-V840 CarbonylContact O-C 3.26Å; D837-V840 PolarHBondContact O-N 3.45Å; D837-Q841 WeakPolarHBondContact O-CG 3.43Å; D837-Q841 PolarHBondContact O-N 3.44Å; D837-Q841 WeakPolarHBondContact OD1-CG 3.41Å; D837-Q841 PolarHBondContact OD1-NE2 2.79Å; D837-Q841 WeakPolarHBondContact OD2-CG 3.47Å |
| 838 | R | 94.9 | Very high | 92.9 | Very high | 159 Ų | 159 | 59.4 Ų | 59.4 | 60% | 0.6 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -52.9 | -44.4 | 177.3 | -173.7 | -171.5 | 71.5 | -153.1 | -1.5 | 113.1 | M834 L836 Y842 | M834-R838 WeakPolarHBondContact O-CB 3.42Å; M834-R838 PolarHBondContact O-N 2.79Å; L836-R838 VanDerWaalsContact C-N 3.29Å; L836-R838 PolarHBondContact O-N 2.65Å; R838-Y842 WeakPolarHBondContact O-CB 3.42Å; R838-Y842 PolarHBondContact O-N 2.98Å |
| 839 | E | 93.8 | Very high | 92.1 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.4 | -38.2 | 179.1 | -55.4 | -50.3 | 128 | 0 | 0 | 111.4 | L795 V798 L836 D837 Y842 L843 | L795-E839 HydrophobicContact CD1-CB 4.1Å; V798-E839 HydrophobicContact CG2-CG 4.29Å; L836-E839 PolarHBondContact O-N 3.31Å; D837-E839 VanDerWaalsContact C-N 3.29Å; D837-E839 PolarHBondContact O-N 3.24Å; E839-Y842 PolarHBondContact O-N 3.17Å; E839-L843 WeakPolarHBondContact O-CG 3.46Å; E839-L843 PolarHBondContact O-N 2.79Å |
| 840 | V | 91.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | S770 L795 L836 D837 Y842 L843 L844 | S770-V840 WeakPolarHBondContact OG-CG2 3.07Å; L795-V840 HydrophobicContact CD1-CG2 3.76Å; L795-V840 HydrophobicContact CD2-CG2 4.37Å; L836-V840 PolarHBondContact O-N 2.66Å; D837-V840 CarbonylContact O-C 3.26Å; D837-V840 PolarHBondContact O-N 3.45Å; V840-Y842 VanDerWaalsContact C-N 3.34Å; V840-Y842 PolarHBondContact O-N 3.04Å; V840-L843 PolarHBondContact O-N 3.05Å; V840-L844 HydrophobicContact CG1-CD1 3.75Å; V840-L844 HydrophobicContact CG1-CG 4.2Å; V840-L844 WeakPolarHBondContact O-CB 3.42Å; V840-L844 WeakPolarHBondContact O-CG 3.33Å; V840-L844 PolarHBondContact O-N 3.4Å |
| 841 | Q | 92.8 | Very high | 89.6 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 177.2 | -62.9 | -57.3 | -23.9 | 0 | 0 | 112.2 | D837 L843 N845 | D837-Q841 WeakPolarHBondContact O-CG 3.43Å; D837-Q841 PolarHBondContact O-N 3.44Å; D837-Q841 WeakPolarHBondContact OD1-CG 3.41Å; D837-Q841 PolarHBondContact OD1-NE2 2.79Å; D837-Q841 WeakPolarHBondContact OD2-CG 3.47Å; Q841-L843 VanDerWaalsContact C-N 3.34Å; Q841-L843 PolarHBondContact O-N 2.9Å; Q841-N845 VanDerWaalsContact O-CB 3.3Å; Q841-N845 WeakPolarHBondContact O-CB 3.41Å; Q841-N845 VanDerWaalsContact O-CG 3.24Å; Q841-N845 PolarHBondContact O-N 3.31Å; Q841-N845 PolarHBondContact O-ND2 3.25Å |
| 842 | Y | 93.4 | Very high | 87.8 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 50% | 0.502 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.9 | -48.7 | 173.1 | 172.6 | -104.7 | 0 | 0 | 0 | 111.1 | E791 R838 E839 V840 K846 | E791-Y842 HydrophobicContact CG-CE1 4.24Å; E791-Y842 WeakPolarHBondContact OE1-CE1 3.29Å; E791-Y842 PolarHBondContact OE1-OH 2.93Å; R838-Y842 WeakPolarHBondContact O-CB 3.42Å; R838-Y842 PolarHBondContact O-N 2.98Å; E839-Y842 PolarHBondContact O-N 3.17Å; V840-Y842 VanDerWaalsContact C-N 3.34Å; V840-Y842 PolarHBondContact O-N 3.04Å; Y842-K846 WeakPolarHBondContact O-CB 3.27Å; Y842-K846 PolarHBondContact O-N 3.03Å |
| 843 | L | 91.7 | Very high | 86 | Confident | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.6 | -41 | 179.5 | -59.7 | 179.6 | 0 | 0 | 0 | 112.6 | F773 F787 E791 L795 E839 V840 Q841 N845 K846 A847 | F773-L843 HydrophobicContact CE1-CB 3.68Å; F773-L843 HydrophobicContact CE1-CD1 4.02Å; F773-L843 HydrophobicContact CZ-CB 3.79Å; F787-L843 HydrophobicContact CD1-CB 4.12Å; F787-L843 HydrophobicContact CD1-CD2 3.96Å; F787-L843 HydrophobicContact CD1-CG 4.47Å; F787-L843 HydrophobicContact CE1-CB 3.89Å; F787-L843 WeakPolarHBondContact CE1-O 3.33Å; E791-L843 HydrophobicContact CB-CD2 3.81Å; E791-L843 HydrophobicContact CG-CD2 4.11Å; L795-L843 HydrophobicContact CB-CD1 4.24Å; L795-L843 HydrophobicContact CD2-CD1 3.99Å; E839-L843 WeakPolarHBondContact O-CG 3.46Å; E839-L843 PolarHBondContact O-N 2.79Å; V840-L843 PolarHBondContact O-N 3.05Å; Q841-L843 VanDerWaalsContact C-N 3.34Å; Q841-L843 PolarHBondContact O-N 2.9Å; L843-N845 VanDerWaalsContact C-N 3.29Å; L843-N845 PolarHBondContact O-N 3.32Å; L843-K846 WeakPolarHBondContact O-CB 3.49Å; L843-K846 PolarHBondContact O-N 3.22Å; L843-A847 PolarHBondContact O-N 3.26Å |
| 844 | L | 89.9 | Confident | 83.9 | Confident | 44 Ų | 44 | 85.9 Ų | 85.9 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 174.1 | -76.3 | 171.9 | 0 | 0 | 0 | 112 | F773 V840 A847 K848 | F773-L844 HydrophobicContact CD2-CD2 3.94Å; F773-L844 HydrophobicContact CE2-CD2 3.54Å; F773-L844 HydrophobicContact CE2-CG 4.09Å; F773-L844 HydrophobicContact CZ-CD2 4.3Å; F773-L844 HydrophobicContact CZ-CG 4.43Å; V840-L844 HydrophobicContact CG1-CD1 3.75Å; V840-L844 HydrophobicContact CG1-CG 4.2Å; V840-L844 WeakPolarHBondContact O-CB 3.42Å; V840-L844 WeakPolarHBondContact O-CG 3.33Å; V840-L844 PolarHBondContact O-N 3.4Å; L844-A847 PolarHBondContact O-N 2.67Å; L844-K848 VanDerWaalsContact O-CG 3.29Å; L844-K848 WeakPolarHBondContact O-CG 3.48Å; L844-K848 PolarHBondContact O-N 2.95Å |
| 845 | N | 89.3 | Confident | 81.7 | Confident | 65 Ų | 65 | 88.3 Ų | 88.3 | 35% | 0.348 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.3 | -38.5 | 176.6 | -68.1 | -36.6 | 0 | 0 | 0 | 111.7 | Q841 L843 A847 K848 F849 | Q841-N845 VanDerWaalsContact O-CB 3.3Å; Q841-N845 WeakPolarHBondContact O-CB 3.41Å; Q841-N845 VanDerWaalsContact O-CG 3.24Å; Q841-N845 PolarHBondContact O-N 3.31Å; Q841-N845 PolarHBondContact O-ND2 3.25Å; L843-N845 VanDerWaalsContact C-N 3.29Å; L843-N845 PolarHBondContact O-N 3.32Å; N845-A847 VanDerWaalsContact C-N 3.27Å; N845-A847 PolarHBondContact O-N 3.13Å; N845-K848 PolarHBondContact O-N 3.48Å; N845-K848 PolarHBondContact OD1-NZ 3.34Å; N845-F849 HydrophobicContact CB-CE2 4.46Å; N845-F849 WeakPolarHBondContact O-CD2 3.36Å; N845-F849 PolarHBondContact O-N 3.41Å |
| 846 | K | 87.8 | Confident | 79.3 | Confident | 60 Ų | 60 | 92.5 Ų | 92.5 | 26% | 0.261 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.1 | -40.5 | 170.5 | -173 | 176.8 | -178.3 | 175.5 | 0 | 112.1 | I786 E791 Y842 L843 T850 | I786-K846 HydrophobicContact CG2-CG 4.49Å; I786-K846 VanDerWaalsContact O-CE 3.31Å; I786-K846 WeakPolarHBondContact O-CE 3.23Å; E791-K846 IonicContact OE1-NZ 2.66Å; E791-K846 PolarHBondContact OE1-NZ 2.62Å; E791-K846 IonicContact OE2-NZ 3.81Å; E791-K846 PolarHBondContact OE2-NZ 3.31Å; Y842-K846 WeakPolarHBondContact O-CB 3.27Å; Y842-K846 PolarHBondContact O-N 3.03Å; L843-K846 WeakPolarHBondContact O-CB 3.49Å; L843-K846 PolarHBondContact O-N 3.22Å; K846-T850 WeakPolarHBondContact O-CB 3.46Å; K846-T850 PolarHBondContact O-N 2.82Å; K846-T850 PolarHBondContact O-OG1 2.98Å |
| 847 | A | 85.3 | Confident | 77.2 | Confident | 32 Ų | 32 | 101.7 Ų | 101.7 | 26% | 0.264 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -51.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F787 L843 L844 N845 F849 T850 | F787-A847 HydrophobicContact CE1-CB 4.16Å; F787-A847 HydrophobicContact CZ-CB 3.93Å; L843-A847 PolarHBondContact O-N 3.26Å; L844-A847 PolarHBondContact O-N 2.67Å; N845-A847 VanDerWaalsContact C-N 3.27Å; N845-A847 PolarHBondContact O-N 3.13Å; A847-F849 PolarHBondContact O-N 3.39Å; A847-F849 VanDerWaalsContact O-N 3.16Å; A847-T850 PolarHBondContact O-N 3.08Å |
| 848 | K | 85.1 | Confident | 74.6 | Confident | 137 Ų | 137 | 105 Ų | 105 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55.8 | -32.1 | 179.7 | -70.9 | 166.6 | -167.3 | 167.5 | 0 | 113.8 | L844 N845 | L844-K848 VanDerWaalsContact O-CG 3.29Å; L844-K848 WeakPolarHBondContact O-CG 3.48Å; L844-K848 PolarHBondContact O-N 2.95Å; N845-K848 PolarHBondContact O-N 3.48Å; N845-K848 PolarHBondContact OD1-NZ 3.34Å |
| 849 | F | 79.4 | Confident | 71.9 | Confident | 168 Ų | 168 | 105.2 Ų | 105.2 | 74% | 0.737 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -101.7 | 0.8 | -176.6 | -61.3 | -59.3 | 0 | 0 | 0 | 115 | N845 A847 | N845-F849 HydrophobicContact CB-CE2 4.46Å; N845-F849 WeakPolarHBondContact O-CD2 3.36Å; N845-F849 PolarHBondContact O-N 3.41Å; A847-F849 PolarHBondContact O-N 3.39Å; A847-F849 VanDerWaalsContact O-N 3.16Å |
| 850 | T | 76.9 | Confident | 69.3 | Low | 66 Ų | 66 | 111.3 Ų | 111.3 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -83 | 126.4 | 177.5 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | I786 K846 A847 | I786-T850 HydrophobicContact CG1-CG2 4.12Å; I786-T850 HydrophobicContact CG2-CG2 4.03Å; I786-T850 WeakPolarHBondContact CG2-OG1 3.24Å; K846-T850 WeakPolarHBondContact O-CB 3.46Å; K846-T850 PolarHBondContact O-N 2.82Å; K846-T850 PolarHBondContact O-OG1 2.98Å; A847-T850 PolarHBondContact O-N 3.08Å |
| 851 | K | 63.5 | Low | 66.6 | Low | 185 Ų | 185 | 114.2 Ų | 114.2 | 80% | 0.804 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 138.8 | 178.7 | -63.4 | -176.7 | -179.3 | -178.8 | 0 | 111.1 | ||
| 852 | P | 57.9 | Low | 63.8 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 83% | 0.825 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146.4 | -179.5 | 27.4 | -35 | 0 | 0 | 0 | 112.3 | ||
| 853 | R | 58.8 | Low | 60.8 | Low | 173 Ų | 173 | 122.8 Ų | 122.8 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 141.1 | 176.8 | -68.9 | 177.7 | 173.1 | 174.5 | -2.6 | 111.2 | M783 | M783-R853 PolarHBondContact O-NH1 3.46Š|
| 854 | P | 52.5 | Low | 57.9 | Low | 128 Ų | 128 | 126.7 Ų | 126.7 | 83% | 0.831 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -73 | 129.9 | 175.4 | 29.7 | -33.5 | 0 | 0 | 0 | 111.1 | ||
| 855 | R | 47.4 | Very low | 54.9 | Low | 181 Ų | 181 | 133.1 Ų | 133.1 | 68% | 0.683 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 143.5 | 179.9 | -66.6 | -179.4 | 175.4 | 174.7 | -2.5 | 112 | D784 | D784-R855 IonicContact OD1-NH2 3.42Å; D784-R855 IonicContact OD2-CZ 3.66Å; D784-R855 IonicContact OD2-NE 3.5Å; D784-R855 IonicContact OD2-NH2 3.65Å; D784-R855 PolarHBondContact OD2-NH2 3.4Å |
| 856 | P | 45.5 | Very low | 53.4 | Low | 122 Ų | 122 | 134.7 Ų | 134.7 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 160.1 | 175 | -19.4 | 32.5 | 0 | 0 | 0 | 113.4 | ||
| 857 | K | 50 | Low | 51.5 | Low | 193 Ų | 193 | 136.9 Ų | 136.9 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | trans | -127.8 | 125.9 | 175.8 | -70.3 | -175 | 178.2 | -176.9 | 0 | 112.3 | ||||
| 858 | D | 39.2 | Very low | 49.1 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | -143.2 | 127.3 | 149.9 | -89.9 | -51.2 | 0 | 0 | 0 | 107.9 | ||||
| 859 | K | 37.3 | Very low | 46.6 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | 63 | 134 | 72.9 | -61.9 | -171.4 | -152 | 95.5 | 0 | 112.4 | |||||
| 860 | N | 38.8 | Very low | 44.3 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | cis | -164.7 | 161.7 | -13.5 | -99.5 | -9.2 | 0 | 0 | 0 | 104.8 | ||||
| 861 | G | 36.1 | Very low | 41.9 | Very low | 63 Ų | 63 | 140.9 Ų | 140.9 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | cis | -171.6 | -166.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 862 | T | 34.4 | Very low | 40.3 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | cis | -164 | 172.9 | -5.3 | -11.8 | 0 | 0 | 0 | 0 | 104 | ||||
| 863 | R | 30.6 | Very low | 38.8 | Very low | 236 Ų | 236 | 135.7 Ų | 135.7 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | cis | -158.2 | 174.5 | 16.2 | -140.6 | -177.4 | 170.4 | 177.3 | -3.8 | 104.6 | ||||
| 864 | A | 29.6 | Very low | 37.2 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | cis | -147.1 | 173 | 6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 865 | E | 28.2 | Very low | 35.9 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -154.7 | 172.5 | -169.6 | -118.3 | -162.7 | -143.1 | 0 | 0 | 110.2 | ||||
| 866 | P | 57.7 | Low | 34.8 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -118.8 | -113.3 | -19.4 | 34.5 | -13.5 | 0 | 0 | 0 | 109.3 | ||||
| 867 | P | 48.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | cis | -121.8 | 131 | -4.5 | 37 | -18.1 | 0 | 0 | 0 | 116.9 | ||||
| 868 | L | 33.3 | Very low | 33 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 59.6 | 113.7 | 136.6 | -63.1 | 166.7 | 0 | 0 | 0 | 123 | ||||
| 869 | N | 32.9 | Very low | 32.5 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | 69.9 | 146.5 | 130 | -66.9 | 5.6 | 0 | 0 | 0 | 120.5 | |||||
| 870 | A | 30.6 | Very low | 32.2 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | -157.9 | -179.1 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 871 | S | 28.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 66.6 | 138.9 | 174.2 | 31.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 872 | A | 28.4 | Very low | 31.7 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | cis | 79.4 | 137.5 | 34.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 873 | S | 26.4 | Very low | 31.5 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | cis | -171.9 | 157.7 | -9.1 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 874 | D | 25.4 | Very low | 31.5 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 79.6 | 162.3 | 149.6 | -154.9 | 23.6 | 0 | 0 | 0 | 120.9 | ||||
| 875 | Q | 25.1 | Very low | 31.5 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | 74.6 | 128.4 | 178.1 | -56.4 | -164.9 | 2.3 | 0 | 0 | 118.5 | ||||
| 876 | G | 24.7 | Very low | 31.4 | Very low | 81 Ų | 81 | 128 Ų | 128 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 169.3 | 47.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K878 | G876-K878 PolarHBondContact O-N 3.22Š| ||
| 877 | E | 34.3 | Very low | 30.1 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -67.4 | 123.4 | 178.3 | -131.5 | -166.7 | 163.5 | 0 | 0 | 112.4 | ||||
| 878 | K | 24.4 | Very low | 29.1 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 171.1 | 135.3 | 140.7 | -96.9 | 155.4 | -172.4 | 172.3 | 0 | 112.1 | G876 | G876-K878 PolarHBondContact O-N 3.22Š| ||
| 879 | V | 27.5 | Very low | 28.9 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -118.6 | 128.6 | 159.5 | 177 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 880 | I | 31.8 | Very low | 28.7 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -106.1 | 129.3 | 168.1 | -60.7 | 172.2 | 0 | 0 | 0 | 106.2 | ||||
| 881 | P | 32.5 | Very low | 28.7 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 148 | -175.7 | 32.7 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 882 | P | 31.7 | Very low | 28.6 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 149.4 | 160.7 | 34.8 | -31.4 | 0 | 0 | 0 | 111.5 | ||
| 883 | A | 30.4 | Very low | 28.6 | Very low | 107 Ų | 107 | 137 Ų | 137 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 159.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 884 | G | 30.1 | Very low | 28.6 | Very low | 64 Ų | 64 | 140.7 Ų | 140.7 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | cis | 158.4 | -179.5 | -3.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 885 | Q | 29.6 | Very low | 29 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | 67.3 | 140.1 | 177.1 | -61.7 | -179.7 | -18 | 0 | 0 | 115.5 | ||||
| 886 | T | 26.5 | Very low | 29.1 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 64% | 0.638 | 80% | 0.798 | S | S | * | * | cis | -120.4 | -172.2 | -2.3 | 62.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 887 | E | 29.1 | Very low | 29.2 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | cis | -153.3 | 174 | 7 | -148.7 | 86.8 | -108.5 | 0 | 0 | 109.6 | ||||
| 888 | D | 27.9 | Very low | 29 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 31.7 | 116.1 | 156.6 | -67.3 | -13.6 | 0 | 0 | 0 | 124.1 | ||||
| 889 | A | 28.8 | Very low | 29.1 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | trans | 75.3 | 121.7 | 137.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 890 | E | 29.5 | Very low | 29.1 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -69.1 | 169.7 | 167.4 | -67.9 | -173.3 | 160.1 | 0 | 0 | 113 | ||||
| 891 | P | 31.1 | Very low | 28.8 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | cis | -146.2 | 167.8 | 23.6 | 43.4 | -23.8 | 0 | 0 | 0 | 120.3 | ||||
| 892 | I | 26.3 | Very low | 28.6 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | 64.2 | 136.7 | 151.3 | -67.3 | 157.8 | 0 | 0 | 0 | 119 | ||||
| 893 | S | 26.8 | Very low | 28.5 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -135 | 159.3 | 169.9 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 894 | E | 27 | Very low | 28.6 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -81.8 | 168.2 | -174.5 | -56.4 | 166.6 | 123.4 | 0 | 0 | 114.3 | ||||
| 895 | P | 34.2 | Very low | 28.5 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -115.8 | 142.7 | 169.3 | 38.3 | -27.9 | 0 | 0 | 0 | 115.3 | ||||
| 896 | E | 27.3 | Very low | 28.5 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -146.2 | 151.8 | 160.9 | -75.1 | -148.1 | 159.7 | 0 | 0 | 108.3 | ||||
| 897 | K | 26.9 | Very low | 28.6 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | cis | -167.2 | 149.6 | -10.2 | -113.8 | 180 | -172.1 | 145 | 0 | 108.9 | ||||
| 898 | V | 29.6 | Very low | 28.7 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | 47.3 | 134.2 | 130.9 | 173.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 899 | E | 27 | Very low | 29.1 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | cis | -163.3 | 147.1 | 15.6 | -141.4 | 165.8 | -126.4 | 0 | 0 | 109.8 | ||||
| 900 | T | 26 | Very low | 29 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | 157.9 | 160.7 | 98.6 | 40.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 901 | G | 26.5 | Very low | 29 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 140.3 | 70.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 902 | S | 27.6 | Very low | 29 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 28.5 | 132 | 144.3 | 57.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 903 | E | 29.5 | Very low | 29.1 | Very low | 190 Ų | 190 | 140 Ų | 140 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | 83.3 | 130.4 | 153 | -67.5 | -174.1 | 177.2 | 0 | 0 | 120.4 | ||||
| 904 | P | 32.9 | Very low | 29 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -98.4 | 157.8 | 179.7 | 39.2 | -34.7 | 0 | 0 | 0 | 113.8 | ||||
| 905 | G | 27.9 | Very low | 29.8 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -122.3 | 158.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 906 | D | 30.6 | Very low | 29.5 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | trans | -70.9 | 144.2 | -169.6 | -48.6 | -87.2 | 0 | 0 | 0 | 115.1 | ||||
| 907 | T | 28.3 | Very low | 29.6 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -149.1 | 127.2 | 147.9 | 37.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 908 | E | 31.2 | Very low | 29.9 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -92.8 | -176.7 | 169.9 | -124.4 | -163.3 | -173.5 | 0 | 0 | 110.7 | ||||
| 909 | P | 35.3 | Very low | 30.8 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 83% | 0.831 | S | S | * | * | -106.8 | 170.9 | -125.2 | 39.8 | -30 | 0 | 0 | 0 | 115.8 | |||||
| 910 | L | 28.1 | Very low | 30.9 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | -82.6 | 120.9 | 173.2 | -73.6 | 161.5 | 0 | 0 | 0 | 111.7 | ||||
| 911 | E | 29.1 | Very low | 31.1 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -87.3 | 141.2 | 162.7 | -70.9 | -164.9 | 139.8 | 0 | 0 | 111.6 | ||||
| 912 | L | 30 | Very low | 31.3 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | trans | -147.4 | 133.1 | 166.8 | -88 | 176.8 | 0 | 0 | 0 | 111.3 | ||||
| 913 | G | 28.7 | Very low | 31.3 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | trans | 108.3 | 93.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 914 | G | 26.2 | Very low | 31.4 | Very low | 77 Ų | 77 | 142.8 Ų | 142.8 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -148.9 | 121 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 915 | P | 42.3 | Very low | 31.1 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -108.6 | 130 | -176.5 | 35.9 | -29.1 | 0 | 0 | 0 | 114.9 | ||||
| 916 | G | 28.1 | Very low | 31.2 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | 81.9 | 107.1 | 133.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 917 | A | 29.8 | Very low | 31.2 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | trans | -150.9 | 150.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 918 | E | 33.9 | Very low | 31.3 | Very low | 196 Ų | 196 | 142.3 Ų | 142.3 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -93.5 | 163.7 | -169.8 | -79.6 | -173 | 133.9 | 0 | 0 | 114.7 | ||||
| 919 | P | 47 | Very low | 31.3 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | -105.8 | 162.2 | -167.4 | 39.8 | -33.9 | 0 | 0 | 0 | 114.5 | ||||
| 920 | E | 30.8 | Very low | 31 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 77% | 0.766 | 83% | 0.833 | S | S | * | * | trans | -145.7 | 133.2 | 156.5 | -90.9 | -139.3 | 113 | 0 | 0 | 115.7 | ||||
| 921 | Q | 29.4 | Very low | 32.1 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 78% | 0.78 | 82% | 0.822 | S | S | * | * | trans | 67.1 | 160.3 | 147.6 | -57.6 | -165.4 | 32.6 | 0 | 0 | 122.1 | ||||
| 922 | K | 30.1 | Very low | 32.1 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -120 | 155 | -157.4 | -56 | 160.4 | 178.9 | 167.4 | 0 | 111.6 | ||||
| 923 | E | 29.2 | Very low | 32 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | 159.8 | 109.7 | 119.5 | -87.6 | -179.6 | -179.3 | 0 | 0 | 109.5 | |||||
| 924 | Q | 29.9 | Very low | 32 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | 85.8 | 110.3 | 80.3 | -88.1 | -152 | 2.5 | 0 | 0 | 115.8 | |||||
| 925 | S | 28 | Very low | 32.2 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 70.4 | 149.7 | 157 | 89.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 926 | T | 30.2 | Very low | 31.7 | Very low | 141 Ų | 141 | 149 Ų | 149 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | cis | -135.8 | -179.3 | -9.3 | 58 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 927 | G | 29.4 | Very low | 31.9 | Very low | 67 Ų | 67 | 156 Ų | 156 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | 161 | 110.4 | 2.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 928 | Q | 30.8 | Very low | 32 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 73.7 | 149.2 | 164.5 | -65.1 | -164.8 | 1.8 | 0 | 0 | 122.4 | ||||
| 929 | K | 31.1 | Very low | 31.9 | Very low | 185 Ų | 185 | 156.6 Ų | 156.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 78.7 | 91.8 | 157.1 | -72.7 | 166.8 | -171 | 178.5 | 0 | 120.8 | ||||
| 930 | R | 29.1 | Very low | 31.1 | Very low | 240 Ų | 240 | 159 Ų | 159 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -52.4 | 167 | 135.3 | -73.9 | -175.5 | 180 | -179.2 | 0.5 | 111.1 | ||||
| 931 | P | 50.6 | Low | 31.1 | Very low | 106 Ų | 106 | 158.7 Ų | 158.7 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | cis | -148.5 | 170 | 27.8 | 39.6 | -17.5 | 0 | 0 | 0 | 120.8 | ||||
| 932 | L | 28.8 | Very low | 31.2 | Very low | 145 Ų | 145 | 158.2 Ų | 158.2 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | 74.7 | 117.5 | 147.4 | -73.2 | 157.8 | 0 | 0 | 0 | 122.4 | ||||
| 933 | K | 28.8 | Very low | 31.3 | Very low | 170 Ų | 170 | 156 Ų | 156 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | 81.8 | 135.1 | 128.2 | -84.5 | -167.4 | 168.5 | -161.1 | 0 | 123.1 | |||||
| 934 | N | 29.5 | Very low | 31.4 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 59% | 0.594 | 80% | 0.8 | S | S | * | * | trans | 67.1 | 141.8 | 141.8 | -70.8 | 53.9 | 0 | 0 | 0 | 117.4 | ||||
| 935 | D | 29.9 | Very low | 31.6 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 68% | 0.679 | 80% | 0.799 | S | S | * | * | cis | -149.6 | -179.2 | -6.6 | -92.2 | -33.1 | 0 | 0 | 0 | 109.1 | ||||
| 936 | E | 31.3 | Very low | 31.8 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | 72.2 | 141.3 | 173.4 | -57.5 | 173.1 | -173.9 | 0 | 0 | 114.9 | ||||
| 937 | L | 32.7 | Very low | 32 | Very low | 231 Ų | 231 | 157.9 Ų | 157.9 | 100% | 1.209 | 79% | 0.793 | S | S | * | * | cis | -144.8 | 0 | 6.6 | -138.6 | 167.3 | 0 | 0 | 0 | 110.3 |
Retrieved 937 of 937 residues in 1639 ms
(Link to these results)