| 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 | 48.8 | Very low | 67.1 | Low | 219 Ų | 219 | 104.7 Ų | 104.7 | 100% | 1.079 | 57% | 0.566 | S | S | * | * | 0 | 120 | 0 | -135.4 | 170.8 | 89.3 | 0 | 0 | 107 | T3 | M1-T3 PolarHBondContact O-N 3.3Š| |||
| 2 | K | 55.8 | Low | 67.5 | Low | 198 Ų | 198 | 100.2 Ų | 100.2 | 86% | 0.861 | 54% | 0.539 | S | S | * | . | trans | -64.2 | 119.2 | 173 | -140.1 | 176.8 | -175.4 | -179.4 | 0 | 105.6 | D4 | K2-D4 VanDerWaalsContact C-N 3.31Å; K2-D4 PolarHBondContact O-N 3.42Å | ||
| 3 | T | 62.8 | Low | 67.3 | Low | 94 Ų | 94 | 105.1 Ų | 105.1 | 58% | 0.577 | 56% | 0.56 | S | S | * | * | trans | -65.9 | 96.4 | 172.8 | 9.7 | 0 | 0 | 0 | 0 | 106.9 | M1 I8 | M1-T3 PolarHBondContact O-N 3.3Å; T3-I8 HydrophobicContact CG2-CG1 3.98Å | ||
| 4 | D | 72.6 | Confident | 67.6 | Low | 88 Ų | 88 | 108.6 Ų | 108.6 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | trans | -80.4 | 169.3 | 169.3 | 58.7 | 17.2 | 0 | 0 | 0 | 109.9 | K2 T6 G7 I8 | K2-D4 VanDerWaalsContact C-N 3.31Å; K2-D4 PolarHBondContact O-N 3.42Å; D4-T6 PolarHBondContact O-N 2.85Å; D4-G7 PolarHBondContact O-N 3.11Å; D4-G7 PolarHBondContact OD1-N 2.85Å; D4-I8 WeakPolarHBondContact O-CG1 3.05Å; D4-I8 PolarHBondContact O-N 3.15Å | ||
| 5 | S | 71.9 | Confident | 68.3 | Low | 98 Ų | 98 | 107.9 Ų | 107.9 | 69% | 0.685 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55.1 | -38.6 | -179.6 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | I8 A9 | S5-I8 PolarHBondContact O-N 3.23Å; S5-A9 WeakPolarHBondContact O-CB 3.42Å; S5-A9 PolarHBondContact O-N 3.23Å |
| 6 | T | 69.2 | Low | 69.2 | Low | 102 Ų | 102 | 106.1 Ų | 106.1 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -48.4 | 178.4 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | D4 I8 A9 A10 | D4-T6 PolarHBondContact O-N 2.85Å; T6-I8 VanDerWaalsContact C-N 3.35Å; T6-A9 PolarHBondContact O-N 3.03Å; T6-A10 WeakPolarHBondContact O-CB 3.44Å; T6-A10 PolarHBondContact O-N 3.42Å |
| 7 | G | 71.5 | Confident | 70.2 | Confident | 18 Ų | 18 | 105.3 Ų | 105.3 | 19% | 0.186 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -67.4 | -34.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | D4 R11 | D4-G7 PolarHBondContact O-N 3.11Å; D4-G7 PolarHBondContact OD1-N 2.85Å; G7-R11 WeakPolarHBondContact O-CG 3.38Å; G7-R11 PolarHBondContact O-N 3.13Å |
| 8 | I | 74.7 | Confident | 70.9 | Confident | 74 Ų | 74 | 106.7 Ų | 106.7 | 38% | 0.379 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -53 | 171.9 | -68.4 | 168.5 | 0 | 0 | 0 | 109.7 | T3 D4 S5 T6 A10 R11 M12 | T3-I8 HydrophobicContact CG2-CG1 3.98Å; D4-I8 WeakPolarHBondContact O-CG1 3.05Å; D4-I8 PolarHBondContact O-N 3.15Å; S5-I8 PolarHBondContact O-N 3.23Å; T6-I8 VanDerWaalsContact C-N 3.35Å; I8-A10 VanDerWaalsContact C-N 3.31Å; I8-A10 PolarHBondContact O-N 3.23Å; I8-R11 PolarHBondContact O-N 3.36Å; I8-M12 HydrophobicContact CG2-CG 3.97Å; I8-M12 HydrophobicContact CG2-SD 3.52Å; I8-M12 VanDerWaalsContact CG2-SD 3.52Å; I8-M12 VanDerWaalsContact O-CG 3.25Å; I8-M12 WeakPolarHBondContact O-CG 3.5Å; I8-M12 PolarHBondContact O-N 2.86Å |
| 9 | A | 68.6 | Low | 71.7 | Confident | 33 Ų | 33 | 109.6 Ų | 109.6 | 27% | 0.273 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -56.2 | -45 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S5 T6 R11 M12 M13 | S5-A9 WeakPolarHBondContact O-CB 3.42Å; S5-A9 PolarHBondContact O-N 3.23Å; T6-A9 PolarHBondContact O-N 3.03Å; A9-R11 VanDerWaalsContact C-N 3.33Å; A9-R11 PolarHBondContact O-N 3.44Å; A9-M12 PolarHBondContact O-N 3.35Å; A9-M13 WeakPolarHBondContact O-CG 3.44Å; A9-M13 PolarHBondContact O-N 2.93Å |
| 10 | A | 69.9 | Low | 72.5 | Confident | 51 Ų | 51 | 112.5 Ų | 112.5 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.9 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T6 I8 | T6-A10 WeakPolarHBondContact O-CB 3.44Å; T6-A10 PolarHBondContact O-N 3.42Å; I8-A10 VanDerWaalsContact C-N 3.31Å; I8-A10 PolarHBondContact O-N 3.23Å |
| 11 | R | 72.3 | Confident | 73.2 | Confident | 177 Ų | 177 | 109.2 Ų | 109.2 | 67% | 0.668 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.9 | -39.9 | 175.7 | -76.2 | -179.9 | 164.8 | -137.4 | -4.7 | 112.6 | G7 I8 A9 M13 L14 S15 | G7-R11 WeakPolarHBondContact O-CG 3.38Å; G7-R11 PolarHBondContact O-N 3.13Å; I8-R11 PolarHBondContact O-N 3.36Å; A9-R11 VanDerWaalsContact C-N 3.33Å; A9-R11 PolarHBondContact O-N 3.44Å; R11-M13 PolarHBondContact O-N 3.43Å; R11-L14 PolarHBondContact O-N 2.73Å; R11-S15 WeakPolarHBondContact O-CB 3.43Å; R11-S15 PolarHBondContact O-N 3.36Å |
| 12 | M | 71.9 | Confident | 74.9 | Confident | 50 Ų | 50 | 99.9 Ų | 99.9 | 25% | 0.246 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -60.4 | -37.9 | 177.5 | -70 | -179.1 | 108 | 0 | 0 | 111.3 | I8 A9 L14 L16 M74 F75 | I8-M12 HydrophobicContact CG2-CG 3.97Å; I8-M12 HydrophobicContact CG2-SD 3.52Å; I8-M12 VanDerWaalsContact CG2-SD 3.52Å; I8-M12 VanDerWaalsContact O-CG 3.25Å; I8-M12 WeakPolarHBondContact O-CG 3.5Å; I8-M12 PolarHBondContact O-N 2.86Å; A9-M12 PolarHBondContact O-N 3.35Å; M12-L14 VanDerWaalsContact C-N 3.32Å; M12-L14 PolarHBondContact O-N 3.47Å; M12-L16 HydrophobicContact CB-CD1 3.79Å; M12-L16 HydrophobicContact CE-CD1 3.85Å; M12-L16 HydrophobicContact CG-CD1 3.59Å; M12-M74 HydrophobicContact CB-CE 4.42Å; M12-M74 HydrophobicContact CE-CE 4.15Å; M12-M74 HydrophobicContact SD-CE 3.31Å; M12-M74 WeakPolarHBondContact SD-CE 3.37Å; M12-F75 HydrophobicContact CE-CE2 4.05Å; M12-F75 HydrophobicContact CE-CZ 3.93Å |
| 13 | M | 65.3 | Low | 76.4 | Confident | 164 Ų | 164 | 96 Ų | 96 | 81% | 0.808 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -29.6 | 177.6 | -74.3 | 179.9 | 173.2 | 0 | 0 | 114.1 | A9 R11 | A9-M13 WeakPolarHBondContact O-CG 3.44Å; A9-M13 PolarHBondContact O-N 2.93Å; R11-M13 PolarHBondContact O-N 3.43Å |
| 14 | L | 71.1 | Confident | 77.6 | Confident | 154 Ų | 154 | 94.2 Ų | 94.2 | 81% | 0.806 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -108.9 | -21.5 | -169.8 | -66.1 | 176.3 | 0 | 0 | 0 | 114.7 | R11 M12 | R11-L14 PolarHBondContact O-N 2.73Å; M12-L14 VanDerWaalsContact C-N 3.32Å; M12-L14 PolarHBondContact O-N 3.47Å |
| 15 | S | 78.8 | Confident | 78.3 | Confident | 98 Ų | 98 | 91.6 Ų | 91.6 | 69% | 0.685 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -127.7 | -7.5 | -164.9 | -52.5 | 0 | 0 | 0 | 0 | 115.1 | R11 | R11-S15 WeakPolarHBondContact O-CB 3.43Å; R11-S15 PolarHBondContact O-N 3.36Å |
| 16 | L | 82.1 | Confident | 78.8 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 41% | 0.414 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -92.3 | 144.9 | 178.8 | -68.8 | -178.1 | 0 | 0 | 0 | 111.9 | M12 R18 I21 F75 | M12-L16 HydrophobicContact CB-CD1 3.79Å; M12-L16 HydrophobicContact CE-CD1 3.85Å; M12-L16 HydrophobicContact CG-CD1 3.59Å; L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 2.87Å; L16-I21 HydrophobicContact CB-CD1 3.81Å; L16-I21 HydrophobicContact CD1-CD1 3.87Å; L16-I21 HydrophobicContact CG-CD1 4.33Å; L16-F75 HydrophobicContact CD1-CE1 4.4Å; L16-F75 HydrophobicContact CD1-CZ 3.94Å |
| 17 | D | 85.7 | Confident | 79.5 | Confident | 93 Ų | 93 | 90 Ų | 90 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | trans | -70.2 | 87.9 | 169.9 | -176.1 | -9.6 | 0 | 0 | 0 | 109.5 | E19 R20 I21 | D17-E19 VanDerWaalsContact C-N 3.34Å; D17-E19 PolarHBondContact O-N 3.41Å; D17-R20 HydrophobicContact CB-CB 4.22Å; D17-R20 VanDerWaalsContact CG-CB 3.45Å; D17-R20 PolarHBondContact O-N 2.91Å; D17-R20 PolarHBondContact OD1-N 2.9Å; D17-R20 WeakPolarHBondContact OD2-CB 3.48Å; D17-I21 VanDerWaalsContact O-CG1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.5Å; D17-I21 PolarHBondContact O-N 3.08Å; D17-I21 VanDerWaalsContact O-N 3.15Å | ||
| 18 | R | 84 | Confident | 79.9 | Confident | 131 Ų | 131 | 95.5 Ų | 95.5 | 49% | 0.494 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | -174.4 | -179 | 172.6 | -176.2 | 159 | 4.3 | 112.1 | L16 I21 C22 F75 | L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 2.87Å; R18-I21 PolarHBondContact O-N 3.21Å; R18-C22 WeakPolarHBondContact O-CB 3.49Å; R18-C22 PolarHBondContact O-N 3.37Å; R18-C22 PolarHBondContact O-SG 3Å; R18-F75 HydrophobicContact CG-CD1 4.28Å; R18-F75 PolarHBondContact NH2-O 2.85Å |
| 19 | E | 84.8 | Confident | 80 | Confident | 162 Ų | 162 | 98.9 Ų | 98.9 | 76% | 0.757 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -47.6 | -177.8 | -69.5 | -179 | 179.8 | 0 | 0 | 110.6 | D17 I21 C22 E23 | D17-E19 VanDerWaalsContact C-N 3.34Å; D17-E19 PolarHBondContact O-N 3.41Å; E19-I21 VanDerWaalsContact C-N 3.34Å; E19-I21 PolarHBondContact O-N 3.21Å; E19-C22 PolarHBondContact O-N 2.99Å; E19-E23 PolarHBondContact O-N 2.79Å |
| 20 | R | 87.9 | Confident | 80.5 | Confident | 167 Ų | 167 | 106 Ų | 106 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -40.2 | 177.3 | -174.3 | 171.8 | -179.7 | 170.3 | 1.9 | 112.7 | D17 E23 C24 | D17-R20 HydrophobicContact CB-CB 4.22Å; D17-R20 VanDerWaalsContact CG-CB 3.45Å; D17-R20 PolarHBondContact O-N 2.91Å; D17-R20 PolarHBondContact OD1-N 2.9Å; D17-R20 WeakPolarHBondContact OD2-CB 3.48Å; R20-E23 PolarHBondContact O-N 2.95Å; R20-C24 PolarHBondContact O-N 3.21Å; R20-C24 PolarHBondContact O-SG 2.82Å |
| 21 | I | 87.1 | Confident | 80.9 | Confident | 44 Ų | 44 | 110 Ų | 110 | 23% | 0.226 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.7 | -67.1 | 167.7 | 0 | 0 | 0 | 110.4 | L16 D17 R18 E19 E23 C24 L25 F75 | L16-I21 HydrophobicContact CB-CD1 3.81Å; L16-I21 HydrophobicContact CD1-CD1 3.87Å; L16-I21 HydrophobicContact CG-CD1 4.33Å; D17-I21 VanDerWaalsContact O-CG1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.5Å; D17-I21 PolarHBondContact O-N 3.08Å; D17-I21 VanDerWaalsContact O-N 3.15Å; R18-I21 PolarHBondContact O-N 3.21Å; E19-I21 VanDerWaalsContact C-N 3.34Å; E19-I21 PolarHBondContact O-N 3.21Å; I21-E23 PolarHBondContact O-N 2.81Å; I21-C24 PolarHBondContact O-N 2.96Å; I21-L25 HydrophobicContact CG2-CD1 4.06Å; I21-L25 HydrophobicContact CG2-CG 4.46Å; I21-L25 WeakPolarHBondContact O-CG 3.31Å; I21-L25 PolarHBondContact O-N 3.11Å; I21-F75 HydrophobicContact CB-CD1 4.47Å; I21-F75 HydrophobicContact CD1-CE1 3.88Å; I21-F75 HydrophobicContact CD1-CZ 3.99Å; I21-F75 HydrophobicContact CG2-CB 4.32Å; I21-F75 HydrophobicContact CG2-CD1 3.98Å; I21-F75 HydrophobicContact CG2-CD2 3.82Å; I21-F75 HydrophobicContact CG2-CE1 4.26Å; I21-F75 HydrophobicContact CG2-CE2 4.12Å; I21-F75 HydrophobicContact CG2-CG 3.75Å; I21-F75 HydrophobicContact CG2-CZ 4.33Å |
| 22 | C | 84.9 | Confident | 81.1 | Confident | 22 Ų | 22 | 109.6 Ų | 109.6 | 15% | 0.149 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 176.5 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | R18 E19 C24 L25 L26 L76 | R18-C22 WeakPolarHBondContact O-CB 3.49Å; R18-C22 PolarHBondContact O-N 3.37Å; R18-C22 PolarHBondContact O-SG 3Å; E19-C22 PolarHBondContact O-N 2.99Å; C22-C24 VanDerWaalsContact C-N 3.31Å; C22-C24 PolarHBondContact O-N 2.91Å; C22-L25 PolarHBondContact O-N 3.05Å; C22-L26 WeakPolarHBondContact O-CB 3.39Å; C22-L26 VanDerWaalsContact O-CG 3.31Å; C22-L26 WeakPolarHBondContact O-CG 3.24Å; C22-L26 PolarHBondContact O-N 2.73Å; C22-L76 HydrophobicContact CB-CD2 3.8Å; C22-L76 VanDerWaalsContact SG-CD2 3.57Å |
| 23 | E | 87.8 | Confident | 81.1 | Confident | 118 Ų | 118 | 113 Ų | 113 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.2 | -43.2 | 176.9 | -173.4 | -176 | -175.9 | 0 | 0 | 111.6 | E19 R20 I21 L26 S27 | E19-E23 PolarHBondContact O-N 2.79Å; R20-E23 PolarHBondContact O-N 2.95Å; I21-E23 PolarHBondContact O-N 2.81Å; E23-L26 PolarHBondContact O-N 3.45Å; E23-S27 WeakPolarHBondContact O-CB 3.27Å; E23-S27 PolarHBondContact O-N 3.48Å; E23-S27 PolarHBondContact O-OG 2.92Å |
| 24 | C | 88.1 | Confident | 81.6 | Confident | 55 Ų | 55 | 110.1 Ų | 110.1 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.8 | -44.6 | 176.1 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | R20 I21 C22 L26 H28 | R20-C24 PolarHBondContact O-N 3.21Å; R20-C24 PolarHBondContact O-SG 2.82Å; I21-C24 PolarHBondContact O-N 2.96Å; C22-C24 VanDerWaalsContact C-N 3.31Å; C22-C24 PolarHBondContact O-N 2.91Å; C24-L26 VanDerWaalsContact C-N 3.3Å; C24-L26 PolarHBondContact O-N 3.1Å; C24-H28 WeakPolarHBondContact O-CB 3.21Å; C24-H28 PolarHBondContact O-N 3.38Å; C24-H28 VanDerWaalsContact O-N 3.12Å |
| 25 | L | 86.1 | Confident | 81.8 | Confident | 34 Ų | 34 | 107.6 Ų | 107.6 | 18% | 0.178 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -65.6 | -32.7 | 179.6 | -70.3 | 173.4 | 0 | 0 | 0 | 112.6 | I21 C22 R29 L71 F75 L76 | I21-L25 HydrophobicContact CG2-CD1 4.06Å; I21-L25 HydrophobicContact CG2-CG 4.46Å; I21-L25 WeakPolarHBondContact O-CG 3.31Å; I21-L25 PolarHBondContact O-N 3.11Å; C22-L25 PolarHBondContact O-N 3.05Å; L25-R29 VanDerWaalsContact O-CZ 3.3Å; L25-R29 PolarHBondContact O-NE 3.14Å; L25-R29 VanDerWaalsContact O-NE 3.16Å; L25-R29 PolarHBondContact O-NH2 2.95Å; L25-L71 HydrophobicContact CD1-CB 4.39Å; L25-L71 HydrophobicContact CD2-CB 4.15Å; L25-L71 HydrophobicContact CD2-CD1 4.37Å; L25-F75 HydrophobicContact CD1-CB 4.02Å; L25-F75 HydrophobicContact CD1-CD2 4.5Å; L25-L76 HydrophobicContact CB-CD1 3.92Å; L25-L76 HydrophobicContact CD1-CD1 4.16Å; L25-L76 HydrophobicContact CD1-CG 4.34Å |
| 26 | L | 83.9 | Confident | 81.9 | Confident | 90 Ų | 90 | 110.4 Ų | 110.4 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -83.9 | -42.3 | -179.7 | -66.7 | 173.1 | 0 | 0 | 0 | 112.4 | C22 E23 C24 L76 | C22-L26 WeakPolarHBondContact O-CB 3.39Å; C22-L26 VanDerWaalsContact O-CG 3.31Å; C22-L26 WeakPolarHBondContact O-CG 3.24Å; C22-L26 PolarHBondContact O-N 2.73Å; E23-L26 PolarHBondContact O-N 3.45Å; C24-L26 VanDerWaalsContact C-N 3.3Å; C24-L26 PolarHBondContact O-N 3.1Å; L26-L76 HydrophobicContact CD1-CD2 4.34Å; L26-L76 HydrophobicContact CD2-CD1 3.92Å; L26-L76 HydrophobicContact CG-CD1 4.2Å; L26-L76 HydrophobicContact CG-CD2 4.4Å |
| 27 | S | 82.4 | Confident | 81.9 | Confident | 77 Ų | 77 | 115.4 Ų | 115.4 | 54% | 0.538 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -97.2 | -25.5 | -166.5 | -50.6 | 0 | 0 | 0 | 0 | 114.6 | E23 | E23-S27 WeakPolarHBondContact O-CB 3.27Å; E23-S27 PolarHBondContact O-N 3.48Å; E23-S27 PolarHBondContact O-OG 2.92Å |
| 28 | H | 79.5 | Confident | 81.9 | Confident | 133 Ų | 133 | 114.5 Ų | 114.5 | 62% | 0.616 | 58% | 0.578 | S | S | * | * | trans | -107.6 | 63.2 | -171.7 | -59.1 | -46.5 | 0 | 0 | 0 | 112.6 | C24 Q30 | C24-H28 WeakPolarHBondContact O-CB 3.21Å; C24-H28 PolarHBondContact O-N 3.38Å; C24-H28 VanDerWaalsContact O-N 3.12Å; H28-Q30 VanDerWaalsContact C-N 3.33Å; H28-Q30 PolarHBondContact O-N 3.45Å | ||
| 29 | R | 78.4 | Confident | 82 | Confident | 144 Ų | 144 | 120 Ų | 120 | 54% | 0.543 | 60% | 0.599 | S | S | . | * | trans | -80.8 | -7.3 | -179.2 | -64.4 | -67.5 | -174.1 | 167.2 | -0.3 | 114.9 | L25 L31 E68 | L25-R29 VanDerWaalsContact O-CZ 3.3Å; L25-R29 PolarHBondContact O-NE 3.14Å; L25-R29 VanDerWaalsContact O-NE 3.16Å; L25-R29 PolarHBondContact O-NH2 2.95Å; R29-L31 PolarHBondContact O-N 3.42Å; R29-E68 IonicContact NH1-OE2 3.67Å | ||
| 30 | Q | 78.4 | Confident | 82.3 | Confident | 183 Ų | 183 | 116.9 Ų | 116.9 | 86% | 0.855 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -72.1 | 126.9 | -179.8 | -69.5 | -177.2 | -7.2 | 0 | 0 | 110.7 | H28 Q32 | H28-Q30 VanDerWaalsContact C-N 3.33Å; H28-Q30 PolarHBondContact O-N 3.45Å; Q30-Q32 PolarHBondContact O-N 2.93Å |
| 31 | L | 77.8 | Confident | 82.5 | Confident | 134 Ų | 134 | 113.3 Ų | 113.3 | 70% | 0.702 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 124.7 | 173 | -66.4 | 174.8 | 0 | 0 | 0 | 109.4 | R29 | R29-L31 PolarHBondContact O-N 3.42Š|
| 32 | Q | 77.7 | Confident | 82.7 | Confident | 170 Ų | 170 | 116.4 Ų | 116.4 | 79% | 0.794 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 138.7 | 171 | -67.1 | -166.2 | -16.6 | 0 | 0 | 109.7 | Q30 T34 | Q30-Q32 PolarHBondContact O-N 2.93Å; Q32-T34 PolarHBondContact O-N 3.45Å |
| 33 | S | 70.6 | Confident | 83.2 | Confident | 121 Ų | 121 | 117.9 Ų | 117.9 | 85% | 0.846 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -67.1 | -25.2 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | P35 | S33-P35 WeakPolarHBondContact O-CD 2.99Š|
| 34 | T | 76.4 | Confident | 83.5 | Confident | 104 Ų | 104 | 115.3 Ų | 115.3 | 64% | 0.638 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -96.5 | 111.9 | 178.8 | -52.3 | 0 | 0 | 0 | 0 | 109.8 | Q32 | Q32-T34 PolarHBondContact O-N 3.45Š|
| 35 | P | 75.7 | Confident | 83.8 | Confident | 100 Ų | 100 | 120.4 Ų | 120.4 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | trans | -69.2 | 137.8 | -179 | 27.9 | -33.9 | 0 | 0 | 0 | 111.2 | S33 Q37 | S33-P35 WeakPolarHBondContact O-CD 2.99Å; P35-Q37 PolarHBondContact O-N 2.93Å | ||
| 36 | L | 80.5 | Confident | 84.2 | Confident | 157 Ų | 157 | 122.6 Ų | 122.6 | 82% | 0.822 | 63% | 0.627 | S | S | * | * | trans | -68.2 | 116.8 | 168.8 | -177.1 | 68.3 | 0 | 0 | 0 | 109.1 | V38 | L36-V38 HydrophobicContact CD2-CG2 4.06Å; L36-V38 HydrophobicContact CG-CG2 4.1Å; L36-V38 PolarHBondContact O-N 3.14Å | ||
| 37 | Q | 82.6 | Confident | 84.8 | Confident | 185 Ų | 185 | 120.6 Ų | 120.6 | 86% | 0.864 | 62% | 0.623 | S | S | * | * | trans | -79.4 | 103.1 | 177 | -69 | -172.1 | -0.3 | 0 | 0 | 110.7 | P35 | P35-Q37 PolarHBondContact O-N 2.93Š| ||
| 38 | V | 84.5 | Confident | 85.4 | Confident | 73 Ų | 73 | 117.8 Ų | 117.8 | 44% | 0.442 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -99.1 | 129.4 | 174.5 | -174 | 0 | 0 | 0 | 0 | 109.9 | L36 Y40 | L36-V38 HydrophobicContact CD2-CG2 4.06Å; L36-V38 HydrophobicContact CG-CG2 4.1Å; L36-V38 PolarHBondContact O-N 3.14Å; V38-Y40 HydrophobicContact CB-CE2 3.91Å; V38-Y40 HydrophobicContact CG1-CD1 4.39Å; V38-Y40 HydrophobicContact CG1-CD2 4.48Å; V38-Y40 HydrophobicContact CG1-CE1 3.85Å; V38-Y40 HydrophobicContact CG1-CE2 3.95Å |
| 39 | R | 87.8 | Confident | 86.1 | Confident | 246 Ų | 246 | 112.8 Ų | 112.8 | 93% | 0.928 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -91 | 118.2 | 174 | -66.1 | -175.9 | -179 | -173.3 | 0.5 | 109.7 | ||
| 40 | Y | 89.7 | Confident | 87 | Confident | 98 Ų | 98 | 110.4 Ų | 110.4 | 38% | 0.384 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -100.6 | 146.3 | 175.7 | -63.4 | -75.4 | 0 | 0 | 0 | 111.5 | V38 V44 | V38-Y40 HydrophobicContact CB-CE2 3.91Å; V38-Y40 HydrophobicContact CG1-CD1 4.39Å; V38-Y40 HydrophobicContact CG1-CD2 4.48Å; V38-Y40 HydrophobicContact CG1-CE1 3.85Å; V38-Y40 HydrophobicContact CG1-CE2 3.95Å; Y40-V44 HydrophobicContact CD1-CG1 3.77Å; Y40-V44 HydrophobicContact CG-CG1 4.21Å |
| 41 | P | 92.4 | Very high | 87.7 | Confident | 91 Ų | 91 | 105.3 Ų | 105.3 | 59% | 0.591 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 146.5 | 162.1 | -21.9 | 33.1 | 0 | 0 | 0 | 110.7 | G43 V44 R45 | P41-G43 VanDerWaalsContact C-N 3.31Å; P41-G43 PolarHBondContact O-N 2.96Å; P41-V44 HydrophobicContact CB-CG2 4.31Å; P41-V44 HydrophobicContact CG-CG2 4.29Å; P41-V44 WeakPolarHBondContact O-CB 3.36Å; P41-V44 PolarHBondContact O-N 3.38Å; P41-R45 PolarHBondContact O-N 3.25Å; P41-R45 VanDerWaalsContact O-N 3.12Å |
| 42 | Q | 92.5 | Very high | 88.5 | Confident | 110 Ų | 110 | 99.8 Ų | 99.8 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -53.7 | -45.6 | -174.7 | -175.4 | 59.7 | 39.2 | 0 | 0 | 112.6 | V44 R45 D46 | Q42-V44 VanDerWaalsContact C-N 3.27Å; Q42-V44 PolarHBondContact O-N 2.99Å; Q42-R45 WeakPolarHBondContact O-CA 3.02Å; Q42-R45 WeakPolarHBondContact O-CB 3.26Å; Q42-R45 PolarHBondContact O-N 3.43Å; Q42-D46 PolarHBondContact NE2-OD1 3.17Å; Q42-D46 PolarHBondContact NE2-OD2 3.45Å; Q42-D46 PolarHBondContact O-N 2.84Å |
| 43 | G | 95.2 | Very high | 89.3 | Confident | 52 Ų | 52 | 99.1 Ų | 99.1 | 54% | 0.536 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -31.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P41 A47 | P41-G43 VanDerWaalsContact C-N 3.31Å; P41-G43 PolarHBondContact O-N 2.96Å; G43-A47 WeakPolarHBondContact O-CB 3.4Å; G43-A47 PolarHBondContact O-N 2.89Å; G43-A47 VanDerWaalsContact O-N 3.1Å |
| 44 | V | 94 | Very high | 90.2 | Very high | 64 Ų | 64 | 100.6 Ų | 100.6 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.4 | -40.7 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | Y40 P41 Q42 A47 L48 | Y40-V44 HydrophobicContact CD1-CG1 3.77Å; Y40-V44 HydrophobicContact CG-CG1 4.21Å; P41-V44 HydrophobicContact CB-CG2 4.31Å; P41-V44 HydrophobicContact CG-CG2 4.29Å; P41-V44 WeakPolarHBondContact O-CB 3.36Å; P41-V44 PolarHBondContact O-N 3.38Å; Q42-V44 VanDerWaalsContact C-N 3.27Å; Q42-V44 PolarHBondContact O-N 2.99Å; V44-A47 PolarHBondContact O-N 3.32Å; V44-L48 HydrophobicContact CG1-CD1 4.07Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.49Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.5Å |
| 45 | R | 93.3 | Very high | 90.9 | Very high | 163 Ų | 163 | 100.4 Ų | 100.4 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 175.9 | -177.9 | -175.8 | 174.8 | -167.6 | -1.1 | 111.4 | P41 Q42 L48 G49 | P41-R45 PolarHBondContact O-N 3.25Å; P41-R45 VanDerWaalsContact O-N 3.12Å; Q42-R45 WeakPolarHBondContact O-CA 3.02Å; Q42-R45 WeakPolarHBondContact O-CB 3.26Å; Q42-R45 PolarHBondContact O-N 3.43Å; R45-L48 PolarHBondContact O-N 2.76Å; R45-G49 PolarHBondContact O-N 2.75Å |
| 46 | D | 95.8 | Very high | 91.7 | Very high | 80 Ų | 80 | 101 Ų | 101 | 43% | 0.428 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 179.7 | -63.2 | -25.7 | 0 | 0 | 0 | 110.9 | Q42 G49 I50 | Q42-D46 PolarHBondContact NE2-OD1 3.17Å; Q42-D46 PolarHBondContact NE2-OD2 3.45Å; Q42-D46 PolarHBondContact O-N 2.84Å; D46-G49 PolarHBondContact O-N 3.45Å; D46-I50 WeakPolarHBondContact O-CG1 3.46Å; D46-I50 PolarHBondContact O-N 3.23Å |
| 47 | A | 95.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 96.8 Ų | 96.8 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G43 V44 G49 I50 M51 | G43-A47 WeakPolarHBondContact O-CB 3.4Å; G43-A47 PolarHBondContact O-N 2.89Å; G43-A47 VanDerWaalsContact O-N 3.1Å; V44-A47 PolarHBondContact O-N 3.32Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 2.67Å; A47-I50 PolarHBondContact O-N 3.09Å; A47-M51 VanDerWaalsContact O-CG 3.32Å; A47-M51 WeakPolarHBondContact O-CG 3.39Å; A47-M51 PolarHBondContact O-N 2.96Å |
| 48 | L | 94.7 | Very high | 92.8 | Very high | 18 Ų | 18 | 90.5 Ų | 90.5 | 9% | 0.094 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 175.5 | -73.1 | 172.3 | 0 | 0 | 0 | 111.8 | V44 R45 S52 V59 L62 T63 L66 | V44-L48 HydrophobicContact CG1-CD1 4.07Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.49Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.5Å; R45-L48 PolarHBondContact O-N 2.76Å; L48-S52 WeakPolarHBondContact O-CB 3.41Å; L48-S52 PolarHBondContact O-N 3.42Å; L48-S52 PolarHBondContact O-OG 3.43Å; L48-V59 HydrophobicContact CB-CG1 4.21Å; L48-V59 HydrophobicContact CD1-CG1 4.49Å; L48-L62 HydrophobicContact CD2-CD2 4.05Å; L48-L62 HydrophobicContact CD2-CG 4.42Å; L48-T63 HydrophobicContact CD1-CG2 3.72Å; L48-T63 HydrophobicContact CD2-CG2 4.13Å; L48-L66 HydrophobicContact CD2-CD1 4.35Å |
| 49 | G | 95.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 90 Ų | 90 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.8 | -52.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R45 D46 A47 M51 S52 E53 | R45-G49 PolarHBondContact O-N 2.75Å; D46-G49 PolarHBondContact O-N 3.45Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 2.67Å; G49-M51 PolarHBondContact O-N 3Å; G49-S52 PolarHBondContact O-N 3.29Å; G49-S52 PolarHBondContact O-OG 3.13Å; G49-E53 PolarHBondContact O-N 3.24Å; G49-E53 VanDerWaalsContact O-N 3.1Å |
| 50 | I | 95.9 | Very high | 93.3 | Very high | 95 Ų | 95 | 82.1 Ų | 82.1 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 178.2 | -65.1 | 163.4 | 0 | 0 | 0 | 110.9 | D46 A47 S52 E53 Q54 | D46-I50 WeakPolarHBondContact O-CG1 3.46Å; D46-I50 PolarHBondContact O-N 3.23Å; A47-I50 PolarHBondContact O-N 3.09Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S52 PolarHBondContact O-N 2.94Å; I50-E53 PolarHBondContact O-N 3.1Å; I50-Q54 WeakPolarHBondContact O-CG 3.44Å; I50-Q54 PolarHBondContact O-N 3.28Å |
| 51 | M | 94.6 | Very high | 93.4 | Very high | 75 Ų | 75 | 80.3 Ų | 80.3 | 37% | 0.369 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 179.6 | -68.9 | 173.2 | 68.8 | 0 | 0 | 112 | A47 G49 E53 Q54 L55 L62 | A47-M51 VanDerWaalsContact O-CG 3.32Å; A47-M51 WeakPolarHBondContact O-CG 3.39Å; A47-M51 PolarHBondContact O-N 2.96Å; G49-M51 PolarHBondContact O-N 3Å; M51-E53 VanDerWaalsContact C-N 3.33Å; M51-E53 PolarHBondContact O-N 3.26Å; M51-Q54 PolarHBondContact O-N 2.9Å; M51-L55 VanDerWaalsContact O-CB 3.3Å; M51-L55 WeakPolarHBondContact O-CB 3.22Å; M51-L55 VanDerWaalsContact O-CG 3.29Å; M51-L55 WeakPolarHBondContact O-CG 3.33Å; M51-L55 PolarHBondContact O-N 2.75Å; M51-L62 HydrophobicContact CB-CD2 3.64Å; M51-L62 HydrophobicContact CE-CD2 4.42Å |
| 52 | S | 94.5 | Very high | 93.4 | Very high | 18 Ų | 18 | 76.3 Ų | 76.3 | 13% | 0.126 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | -179.8 | 75.2 | 0 | 0 | 0 | 0 | 112 | L48 G49 I50 S56 L57 V59 | L48-S52 WeakPolarHBondContact O-CB 3.41Å; L48-S52 PolarHBondContact O-N 3.42Å; L48-S52 PolarHBondContact O-OG 3.43Å; G49-S52 PolarHBondContact O-N 3.29Å; G49-S52 PolarHBondContact O-OG 3.13Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S52 PolarHBondContact O-N 2.94Å; S52-S56 WeakPolarHBondContact O-CA 3.33Å; S52-S56 PolarHBondContact O-N 3.22Å; S52-L57 CarbonylContact C-O 3.51Å; S52-L57 VanDerWaalsContact CB-O 3.28Å; S52-L57 WeakPolarHBondContact CB-O 3.39Å; S52-L57 PolarHBondContact O-N 3.16Å; S52-L57 VanDerWaalsContact O-O 3.12Å; S52-V59 WeakPolarHBondContact OG-CG2 3.44Å |
| 53 | E | 93.6 | Very high | 93.4 | Very high | 157 Ų | 157 | 72.3 Ų | 72.3 | 73% | 0.734 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.5 | -49.5 | 176 | -174.5 | 179.6 | 177.3 | 0 | 0 | 111 | G49 I50 M51 L55 S56 | G49-E53 PolarHBondContact O-N 3.24Å; G49-E53 VanDerWaalsContact O-N 3.1Å; I50-E53 PolarHBondContact O-N 3.1Å; M51-E53 VanDerWaalsContact C-N 3.33Å; M51-E53 PolarHBondContact O-N 3.26Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 3.09Å; E53-S56 PolarHBondContact O-N 2.85Å |
| 54 | Q | 91 | Very high | 93.2 | Very high | 151 Ų | 151 | 73.7 Ų | 73.7 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.5 | -34.2 | -179.3 | -71.6 | 178.7 | -11 | 0 | 0 | 113.3 | I50 M51 | I50-Q54 WeakPolarHBondContact O-CG 3.44Å; I50-Q54 PolarHBondContact O-N 3.28Å; M51-Q54 PolarHBondContact O-N 2.9Å |
| 55 | L | 90.6 | Very high | 93 | Very high | 100 Ų | 100 | 73.5 Ų | 73.5 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -90.9 | -4.2 | 179.5 | -64.1 | 173.2 | 0 | 0 | 0 | 113.2 | M51 E53 L57 L62 | M51-L55 VanDerWaalsContact O-CB 3.3Å; M51-L55 WeakPolarHBondContact O-CB 3.22Å; M51-L55 VanDerWaalsContact O-CG 3.29Å; M51-L55 WeakPolarHBondContact O-CG 3.33Å; M51-L55 PolarHBondContact O-N 2.75Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 3.09Å; L55-L57 HydrophobicContact CB-CD1 4.15Å; L55-L57 HydrophobicContact CB-CG 4.23Å; L55-L57 PolarHBondContact O-N 3.28Å; L55-L62 HydrophobicContact CD1-CD1 4.04Å |
| 56 | S | 92.9 | Very high | 92.9 | Very high | 112 Ų | 112 | 69.7 Ų | 69.7 | 78% | 0.783 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 40.1 | -173.5 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | S52 E53 | S52-S56 WeakPolarHBondContact O-CA 3.33Å; S52-S56 PolarHBondContact O-N 3.22Å; E53-S56 PolarHBondContact O-N 2.85Å |
| 57 | L | 92.6 | Very high | 92.6 | Very high | 69 Ų | 69 | 69.6 Ų | 69.6 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | trans | -115.5 | 154.2 | 176.8 | -69.6 | 175.1 | 0 | 0 | 0 | 110 | S52 L55 I65 | S52-L57 CarbonylContact C-O 3.51Å; S52-L57 VanDerWaalsContact CB-O 3.28Å; S52-L57 WeakPolarHBondContact CB-O 3.39Å; S52-L57 PolarHBondContact O-N 3.16Å; S52-L57 VanDerWaalsContact O-O 3.12Å; L55-L57 HydrophobicContact CB-CD1 4.15Å; L55-L57 HydrophobicContact CB-CG 4.23Å; L55-L57 PolarHBondContact O-N 3.28Å; L57-I65 HydrophobicContact CD1-CD1 4.22Å | ||
| 58 | S | 93 | Very high | 92.2 | Very high | 54 Ų | 54 | 70.5 Ų | 70.5 | 38% | 0.378 | 39% | 0.387 | S | S | . | . | trans | -68.8 | 148.8 | 166.8 | 81.9 | 0 | 0 | 0 | 0 | 109.8 | S60 D61 L62 | S58-S60 PolarHBondContact O-N 3.41Å; S58-D61 PolarHBondContact O-N 2.94Å; S58-D61 VanDerWaalsContact O-N 3.13Å; S58-D61 WeakPolarHBondContact OG-CB 3.36Å; S58-D61 VanDerWaalsContact OG-CG 3.23Å; S58-D61 PolarHBondContact OG-N 3.03Å; S58-D61 PolarHBondContact OG-OD2 3.38Å; S58-L62 PolarHBondContact O-N 3.32Å | ||
| 59 | V | 92.1 | Very high | 91.7 | Very high | 62 Ų | 62 | 72.8 Ų | 72.8 | 38% | 0.376 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.2 | -37.9 | 172.6 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | L48 S52 L62 T63 | L48-V59 HydrophobicContact CB-CG1 4.21Å; L48-V59 HydrophobicContact CD1-CG1 4.49Å; S52-V59 WeakPolarHBondContact OG-CG2 3.44Å; V59-L62 PolarHBondContact O-N 2.83Å; V59-T63 HydrophobicContact CG1-CG2 4.23Å; V59-T63 WeakPolarHBondContact O-CB 3.35Å; V59-T63 VanDerWaalsContact O-CG2 3.27Å; V59-T63 WeakPolarHBondContact O-CG2 3.3Å; V59-T63 PolarHBondContact O-N 2.92Å; V59-T63 PolarHBondContact O-OG1 2.79Å; V59-T63 VanDerWaalsContact O-OG1 3.06Å |
| 60 | S | 90.4 | Very high | 91.3 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 56% | 0.559 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.5 | -47.7 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | S58 T63 R64 | S58-S60 PolarHBondContact O-N 3.41Å; S60-T63 PolarHBondContact O-N 2.59Å; S60-T63 PolarHBondContact O-OG1 3.22Å; S60-R64 VanDerWaalsContact O-CB 3.28Å; S60-R64 WeakPolarHBondContact O-CB 3.42Å; S60-R64 PolarHBondContact O-N 2.88Å |
| 61 | D | 91.1 | Very high | 90.9 | Very high | 60 Ų | 60 | 72 Ų | 72 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 178.4 | -71.8 | -51.7 | 0 | 0 | 0 | 112 | S58 T63 R64 I65 | S58-D61 PolarHBondContact O-N 2.94Å; S58-D61 VanDerWaalsContact O-N 3.13Å; S58-D61 WeakPolarHBondContact OG-CB 3.36Å; S58-D61 VanDerWaalsContact OG-CG 3.23Å; S58-D61 PolarHBondContact OG-N 3.03Å; S58-D61 PolarHBondContact OG-OD2 3.38Å; D61-T63 PolarHBondContact O-N 3.05Å; D61-R64 PolarHBondContact O-N 2.99Å; D61-R64 IonicContact OD1-NE 2.78Å; D61-R64 IonicContact OD1-NH2 3.7Å; D61-R64 PolarHBondContact OD1-NH2 3.37Å; D61-I65 WeakPolarHBondContact O-CD1 3.49Å; D61-I65 VanDerWaalsContact O-CG1 3.23Å; D61-I65 WeakPolarHBondContact O-CG1 3.47Å; D61-I65 PolarHBondContact O-N 3.24Å |
| 62 | L | 93 | Very high | 90.4 | Very high | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 175.8 | 178.3 | 60.3 | 0 | 0 | 0 | 111 | L48 M51 L55 S58 V59 R64 I65 L66 | L48-L62 HydrophobicContact CD2-CD2 4.05Å; L48-L62 HydrophobicContact CD2-CG 4.42Å; M51-L62 HydrophobicContact CB-CD2 3.64Å; M51-L62 HydrophobicContact CE-CD2 4.42Å; L55-L62 HydrophobicContact CD1-CD1 4.04Å; S58-L62 PolarHBondContact O-N 3.32Å; V59-L62 PolarHBondContact O-N 2.83Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 PolarHBondContact O-N 3.38Å; L62-I65 PolarHBondContact O-N 2.74Å; L62-L66 HydrophobicContact CD1-CD1 4Å; L62-L66 HydrophobicContact CD1-CG 4.18Å; L62-L66 HydrophobicContact CG-CD1 4.02Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 2.8Å |
| 63 | T | 92.4 | Very high | 89.7 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 15% | 0.153 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 178.4 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | L48 V59 S60 D61 L66 V67 | L48-T63 HydrophobicContact CD1-CG2 3.72Å; L48-T63 HydrophobicContact CD2-CG2 4.13Å; V59-T63 HydrophobicContact CG1-CG2 4.23Å; V59-T63 WeakPolarHBondContact O-CB 3.35Å; V59-T63 VanDerWaalsContact O-CG2 3.27Å; V59-T63 WeakPolarHBondContact O-CG2 3.3Å; V59-T63 PolarHBondContact O-N 2.92Å; V59-T63 PolarHBondContact O-OG1 2.79Å; V59-T63 VanDerWaalsContact O-OG1 3.06Å; S60-T63 PolarHBondContact O-N 2.59Å; S60-T63 PolarHBondContact O-OG1 3.22Å; D61-T63 PolarHBondContact O-N 3.05Å; T63-L66 PolarHBondContact O-N 3.07Å; T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.24Å; T63-V67 WeakPolarHBondContact O-CG2 3.5Å; T63-V67 PolarHBondContact O-N 3.04Å |
| 64 | R | 90.7 | Very high | 89.2 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 176.8 | 179.8 | -176.7 | 60.5 | 71.2 | 3.5 | 111.1 | S60 D61 L62 L66 V67 E68 | S60-R64 VanDerWaalsContact O-CB 3.28Å; S60-R64 WeakPolarHBondContact O-CB 3.42Å; S60-R64 PolarHBondContact O-N 2.88Å; D61-R64 PolarHBondContact O-N 2.99Å; D61-R64 IonicContact OD1-NE 2.78Å; D61-R64 IonicContact OD1-NH2 3.7Å; D61-R64 PolarHBondContact OD1-NH2 3.37Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 PolarHBondContact O-N 3.38Å; R64-L66 PolarHBondContact O-N 2.95Å; R64-V67 PolarHBondContact O-N 3.31Å; R64-E68 WeakPolarHBondContact CD-OE1 3.14Å; R64-E68 HydrophobicContact CG-CG 4.3Å; R64-E68 WeakPolarHBondContact CG-OE1 3.24Å; R64-E68 IonicContact CZ-OE1 2.64Å; R64-E68 IonicContact NH1-OE1 3.83Å; R64-E68 PolarHBondContact NH1-OE1 2.9Å; R64-E68 IonicContact NH1-OE2 3.47Å; R64-E68 WeakPolarHBondContact O-CB 3.42Å; R64-E68 WeakPolarHBondContact O-CG 3.48Å; R64-E68 PolarHBondContact O-N 2.87Å |
| 65 | I | 89.4 | Confident | 88.8 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.7 | -50.9 | 178.2 | -68.3 | 163 | 0 | 0 | 0 | 110.1 | L57 D61 L62 V67 E68 D69 | L57-I65 HydrophobicContact CD1-CD1 4.22Å; D61-I65 WeakPolarHBondContact O-CD1 3.49Å; D61-I65 VanDerWaalsContact O-CG1 3.23Å; D61-I65 WeakPolarHBondContact O-CG1 3.47Å; D61-I65 PolarHBondContact O-N 3.24Å; L62-I65 PolarHBondContact O-N 2.74Å; I65-V67 VanDerWaalsContact C-N 3.35Å; I65-V67 PolarHBondContact O-N 3.02Å; I65-E68 PolarHBondContact O-N 3.11Å; I65-D69 WeakPolarHBondContact O-CB 3.42Å; I65-D69 PolarHBondContact O-N 3.38Å |
| 66 | L | 91.7 | Very high | 88.5 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | -178.6 | -67.8 | 172.8 | 0 | 0 | 0 | 112.8 | L48 L62 T63 R64 A70 | L48-L66 HydrophobicContact CD2-CD1 4.35Å; L62-L66 HydrophobicContact CD1-CD1 4Å; L62-L66 HydrophobicContact CD1-CG 4.18Å; L62-L66 HydrophobicContact CG-CD1 4.02Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 2.8Å; T63-L66 PolarHBondContact O-N 3.07Å; R64-L66 PolarHBondContact O-N 2.95Å; L66-A70 VanDerWaalsContact O-CB 3.3Å; L66-A70 WeakPolarHBondContact O-CB 3.15Å; L66-A70 PolarHBondContact O-N 2.88Å |
| 67 | V | 90.4 | Very high | 87.8 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 47% | 0.473 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.3 | -44.3 | 179.6 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | T63 R64 I65 D69 A70 L71 | T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.24Å; T63-V67 WeakPolarHBondContact O-CG2 3.5Å; T63-V67 PolarHBondContact O-N 3.04Å; R64-V67 PolarHBondContact O-N 3.31Å; I65-V67 VanDerWaalsContact C-N 3.35Å; I65-V67 PolarHBondContact O-N 3.02Å; V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 3.18Å; V67-A70 PolarHBondContact O-N 3.21Å; V67-L71 HydrophobicContact CG1-CD1 3.85Å; V67-L71 HydrophobicContact CG1-CG 4.3Å; V67-L71 WeakPolarHBondContact O-CB 3.19Å; V67-L71 VanDerWaalsContact O-CG 3.32Å; V67-L71 WeakPolarHBondContact O-CG 3.36Å; V67-L71 PolarHBondContact O-N 2.84Å |
| 68 | E | 87.4 | Confident | 87 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 175.8 | -77.2 | -178.7 | -149.4 | 0 | 0 | 111.5 | R29 R64 I65 S72 | R29-E68 IonicContact NH1-OE2 3.67Å; R64-E68 WeakPolarHBondContact CD-OE1 3.14Å; R64-E68 HydrophobicContact CG-CG 4.3Å; R64-E68 WeakPolarHBondContact CG-OE1 3.24Å; R64-E68 IonicContact CZ-OE1 2.64Å; R64-E68 IonicContact NH1-OE1 3.83Å; R64-E68 PolarHBondContact NH1-OE1 2.9Å; R64-E68 IonicContact NH1-OE2 3.47Å; R64-E68 WeakPolarHBondContact O-CB 3.42Å; R64-E68 WeakPolarHBondContact O-CG 3.48Å; R64-E68 PolarHBondContact O-N 2.87Å; I65-E68 PolarHBondContact O-N 3.11Å; E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.47Å; E68-S72 PolarHBondContact O-N 3.25Å; E68-S72 PolarHBondContact O-OG 3.06Å |
| 69 | D | 84.2 | Confident | 86.2 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 36% | 0.358 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 176.4 | -82.7 | -27.4 | 0 | 0 | 0 | 111.6 | I65 V67 L71 S72 E73 R83 | I65-D69 WeakPolarHBondContact O-CB 3.42Å; I65-D69 PolarHBondContact O-N 3.38Å; V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 3.18Å; D69-L71 PolarHBondContact O-N 3.1Å; D69-S72 PolarHBondContact O-N 3Å; D69-E73 WeakPolarHBondContact O-CB 3.44Å; D69-E73 WeakPolarHBondContact O-CG 3.48Å; D69-E73 PolarHBondContact O-N 3.32Å; D69-R83 IonicContact OD1-CZ 3.99Å; D69-R83 IonicContact OD1-NH2 3.73Å; D69-R83 PolarHBondContact OD1-NH2 2.87Å |
| 70 | A | 86.2 | Confident | 85.6 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L66 V67 E73 M74 | L66-A70 VanDerWaalsContact O-CB 3.3Å; L66-A70 WeakPolarHBondContact O-CB 3.15Å; L66-A70 PolarHBondContact O-N 2.88Å; V67-A70 PolarHBondContact O-N 3.21Å; A70-E73 PolarHBondContact O-N 3.34Å; A70-M74 VanDerWaalsContact O-CG 3.25Å; A70-M74 WeakPolarHBondContact O-CG 3.46Å; A70-M74 PolarHBondContact O-N 3.39Å |
| 71 | L | 87.2 | Confident | 85.1 | Confident | 58 Ų | 58 | 54 Ų | 54 | 30% | 0.304 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 177.9 | -70.9 | 175 | 0 | 0 | 0 | 111.7 | L25 V67 D69 E73 M74 F75 | L25-L71 HydrophobicContact CD1-CB 4.39Å; L25-L71 HydrophobicContact CD2-CB 4.15Å; L25-L71 HydrophobicContact CD2-CD1 4.37Å; V67-L71 HydrophobicContact CG1-CD1 3.85Å; V67-L71 HydrophobicContact CG1-CG 4.3Å; V67-L71 WeakPolarHBondContact O-CB 3.19Å; V67-L71 VanDerWaalsContact O-CG 3.32Å; V67-L71 WeakPolarHBondContact O-CG 3.36Å; V67-L71 PolarHBondContact O-N 2.84Å; D69-L71 PolarHBondContact O-N 3.1Å; L71-E73 PolarHBondContact O-N 3.12Å; L71-M74 PolarHBondContact O-N 3.46Å; L71-F75 HydrophobicContact CD2-CD2 4.44Å; L71-F75 HydrophobicContact CD2-CE2 4.13Å; L71-F75 WeakPolarHBondContact O-CD2 3.4Å; L71-F75 PolarHBondContact O-N 3Å |
| 72 | S | 83.7 | Confident | 84.5 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 175.1 | -59.1 | 0 | 0 | 0 | 0 | 109.9 | E68 D69 M74 F75 L76 N80 R83 | E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.47Å; E68-S72 PolarHBondContact O-N 3.25Å; E68-S72 PolarHBondContact O-OG 3.06Å; D69-S72 PolarHBondContact O-N 3Å; S72-M74 PolarHBondContact O-N 3.45Å; S72-F75 PolarHBondContact O-N 3.33Å; S72-L76 CarbonylContact O-C 3.58Å; S72-L76 WeakPolarHBondContact O-CA 3.38Å; S72-L76 PolarHBondContact O-N 2.92Å; S72-N80 WeakPolarHBondContact CB-OD1 3.47Å; S72-N80 PolarHBondContact O-ND2 2.89Å; S72-R83 VanDerWaalsContact CB-NH1 3.32Å; S72-R83 VanDerWaalsContact CB-NH2 3.3Å; S72-R83 PolarHBondContact OG-NH1 2.85Å; S72-R83 VanDerWaalsContact OG-NH1 3.1Å; S72-R83 PolarHBondContact OG-NH2 3.34Å |
| 73 | E | 80.9 | Confident | 84 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.6 | -37.9 | 179.5 | -77 | -167.4 | 161 | 0 | 0 | 112.7 | D69 A70 L71 N80 R84 | D69-E73 WeakPolarHBondContact O-CB 3.44Å; D69-E73 WeakPolarHBondContact O-CG 3.48Å; D69-E73 PolarHBondContact O-N 3.32Å; A70-E73 PolarHBondContact O-N 3.34Å; L71-E73 PolarHBondContact O-N 3.12Å; E73-N80 WeakPolarHBondContact CA-ND2 3.3Å; E73-N80 PolarHBondContact N-ND2 3.19Å; E73-R84 VanDerWaalsContact CD-NH2 3.31Å; E73-R84 IonicContact OE1-CZ 3.99Å; E73-R84 IonicContact OE1-NE 3.77Å; E73-R84 IonicContact OE1-NH2 3.85Å; E73-R84 PolarHBondContact OE1-NH2 2.98Å; E73-R84 IonicContact OE2-NH2 3.06Å |
| 74 | M | 81.7 | Confident | 83.6 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -77.1 | -43 | -180 | -67.6 | 177 | 67.1 | 0 | 0 | 113.7 | M12 A70 L71 S72 | M12-M74 HydrophobicContact CB-CE 4.42Å; M12-M74 HydrophobicContact CE-CE 4.15Å; M12-M74 HydrophobicContact SD-CE 3.31Å; M12-M74 WeakPolarHBondContact SD-CE 3.37Å; A70-M74 VanDerWaalsContact O-CG 3.25Å; A70-M74 WeakPolarHBondContact O-CG 3.46Å; A70-M74 PolarHBondContact O-N 3.39Å; L71-M74 PolarHBondContact O-N 3.46Å; S72-M74 PolarHBondContact O-N 3.45Å |
| 75 | F | 84.2 | Confident | 83.4 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 6% | 0.057 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -104.3 | -29.2 | -167.3 | -68.5 | -75 | 0 | 0 | 0 | 114.4 | M12 L16 R18 I21 L25 L71 S72 P77 | M12-F75 HydrophobicContact CE-CE2 4.05Å; M12-F75 HydrophobicContact CE-CZ 3.93Å; L16-F75 HydrophobicContact CD1-CE1 4.4Å; L16-F75 HydrophobicContact CD1-CZ 3.94Å; R18-F75 HydrophobicContact CG-CD1 4.28Å; R18-F75 PolarHBondContact NH2-O 2.85Å; I21-F75 HydrophobicContact CB-CD1 4.47Å; I21-F75 HydrophobicContact CD1-CE1 3.88Å; I21-F75 HydrophobicContact CD1-CZ 3.99Å; I21-F75 HydrophobicContact CG2-CB 4.32Å; I21-F75 HydrophobicContact CG2-CD1 3.98Å; I21-F75 HydrophobicContact CG2-CD2 3.82Å; I21-F75 HydrophobicContact CG2-CE1 4.26Å; I21-F75 HydrophobicContact CG2-CE2 4.12Å; I21-F75 HydrophobicContact CG2-CG 3.75Å; I21-F75 HydrophobicContact CG2-CZ 4.33Å; L25-F75 HydrophobicContact CD1-CB 4.02Å; L25-F75 HydrophobicContact CD1-CD2 4.5Å; L71-F75 HydrophobicContact CD2-CD2 4.44Å; L71-F75 HydrophobicContact CD2-CE2 4.13Å; L71-F75 WeakPolarHBondContact O-CD2 3.4Å; L71-F75 PolarHBondContact O-N 3Å; S72-F75 PolarHBondContact O-N 3.33Å; F75-P77 WeakPolarHBondContact O-CD 3.24Å |
| 76 | L | 83.7 | Confident | 83.3 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | trans | -118.7 | 51.5 | -174.4 | -58.6 | 174.8 | 0 | 0 | 0 | 112.6 | C22 L25 L26 S72 A78 D79 N80 | C22-L76 HydrophobicContact CB-CD2 3.8Å; C22-L76 VanDerWaalsContact SG-CD2 3.57Å; L25-L76 HydrophobicContact CB-CD1 3.92Å; L25-L76 HydrophobicContact CD1-CD1 4.16Å; L25-L76 HydrophobicContact CD1-CG 4.34Å; L26-L76 HydrophobicContact CD1-CD2 4.34Å; L26-L76 HydrophobicContact CD2-CD1 3.92Å; L26-L76 HydrophobicContact CG-CD1 4.2Å; L26-L76 HydrophobicContact CG-CD2 4.4Å; S72-L76 CarbonylContact O-C 3.58Å; S72-L76 WeakPolarHBondContact O-CA 3.38Å; S72-L76 PolarHBondContact O-N 2.92Å; L76-A78 VanDerWaalsContact C-N 3.27Å; L76-A78 PolarHBondContact O-N 2.87Å; L76-A78 VanDerWaalsContact O-N 3.16Å; L76-D79 HydrophobicContact CB-CB 4.12Å; L76-D79 PolarHBondContact O-N 2.89Å; L76-D79 VanDerWaalsContact O-N 3.15Å; L76-N80 VanDerWaalsContact C-ND2 3.3Å; L76-N80 PolarHBondContact O-N 2.81Å; L76-N80 PolarHBondContact O-ND2 2.9Å | ||
| 77 | P | 78.4 | Confident | 83.1 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 42% | 0.416 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -35.5 | -170.7 | 24.4 | -34.7 | 0 | 0 | 0 | 113.7 | F75 N80 I81 | F75-P77 WeakPolarHBondContact O-CD 3.24Å; P77-N80 PolarHBondContact O-N 2.64Å; P77-I81 WeakPolarHBondContact O-CG1 3.26Å; P77-I81 PolarHBondContact O-N 3.16Å |
| 78 | A | 74.9 | Confident | 83.2 | Confident | 67 Ų | 67 | 50 Ų | 50 | 55% | 0.554 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.9 | -49.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L76 N80 I81 V82 | L76-A78 VanDerWaalsContact C-N 3.27Å; L76-A78 PolarHBondContact O-N 2.87Å; L76-A78 VanDerWaalsContact O-N 3.16Å; A78-N80 PolarHBondContact O-N 3.47Å; A78-I81 WeakPolarHBondContact O-CB 3.46Å; A78-I81 PolarHBondContact O-N 2.98Å; A78-V82 PolarHBondContact O-N 3.48Å |
| 79 | D | 77.2 | Confident | 83.3 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 39% | 0.39 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.2 | -33.4 | 176.7 | -59.5 | -26.5 | 0 | 0 | 0 | 111.2 | L76 I81 V82 R83 | L76-D79 HydrophobicContact CB-CB 4.12Å; L76-D79 PolarHBondContact O-N 2.89Å; L76-D79 VanDerWaalsContact O-N 3.15Å; D79-I81 VanDerWaalsContact C-N 3.34Å; D79-I81 PolarHBondContact O-N 3.12Å; D79-V82 PolarHBondContact O-N 3Å; D79-R83 VanDerWaalsContact O-CB 3.28Å; D79-R83 WeakPolarHBondContact O-CB 2.93Å; D79-R83 PolarHBondContact O-N 3.47Å |
| 80 | N | 78.4 | Confident | 83.6 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68 | -32.4 | 174.8 | -62.4 | -52.7 | 0 | 0 | 0 | 113.2 | S72 E73 L76 P77 A78 V82 R83 R84 | S72-N80 WeakPolarHBondContact CB-OD1 3.47Å; S72-N80 PolarHBondContact O-ND2 2.89Å; E73-N80 WeakPolarHBondContact CA-ND2 3.3Å; E73-N80 PolarHBondContact N-ND2 3.19Å; L76-N80 VanDerWaalsContact C-ND2 3.3Å; L76-N80 PolarHBondContact O-N 2.81Å; L76-N80 PolarHBondContact O-ND2 2.9Å; P77-N80 PolarHBondContact O-N 2.64Å; A78-N80 PolarHBondContact O-N 3.47Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-R83 VanDerWaalsContact OD1-CZ 3.27Å; N80-R83 PolarHBondContact OD1-NH1 2.95Å; N80-R83 PolarHBondContact OD1-NH2 3.47Å; N80-R84 WeakPolarHBondContact O-CB 3.31Å; N80-R84 WeakPolarHBondContact O-CD 3.24Å; N80-R84 WeakPolarHBondContact O-CG 3.37Å; N80-R84 PolarHBondContact O-N 3.44Å |
| 81 | I | 79.5 | Confident | 83.9 | Confident | 81 Ų | 81 | 50.3 Ų | 50.3 | 42% | 0.415 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 175.7 | -68.2 | 164.7 | 0 | 0 | 0 | 108.8 | P77 A78 D79 R84 L85 | P77-I81 WeakPolarHBondContact O-CG1 3.26Å; P77-I81 PolarHBondContact O-N 3.16Å; A78-I81 WeakPolarHBondContact O-CB 3.46Å; A78-I81 PolarHBondContact O-N 2.98Å; D79-I81 VanDerWaalsContact C-N 3.34Å; D79-I81 PolarHBondContact O-N 3.12Å; I81-R84 PolarHBondContact O-N 2.84Å; I81-L85 PolarHBondContact O-N 2.87Å |
| 82 | V | 79.6 | Confident | 84.2 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 38% | 0.382 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 177.3 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | A78 D79 N80 R84 L85 L86 T124 | A78-V82 PolarHBondContact O-N 3.48Å; D79-V82 PolarHBondContact O-N 3Å; N80-V82 VanDerWaalsContact C-N 3.33Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.49Å; V82-L85 WeakPolarHBondContact O-CB 3.48Å; V82-L85 PolarHBondContact O-N 2.93Å; V82-L86 PolarHBondContact O-N 3.45Å; V82-T124 HydrophobicContact CG1-CG2 3.55Å |
| 83 | R | 81.5 | Confident | 84.7 | Confident | 74 Ų | 74 | 48.7 Ų | 48.7 | 28% | 0.279 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.3 | -169.2 | 172.5 | 77.6 | -145.1 | 13.6 | 112.3 | D69 S72 D79 N80 L86 S87 | D69-R83 IonicContact OD1-CZ 3.99Å; D69-R83 IonicContact OD1-NH2 3.73Å; D69-R83 PolarHBondContact OD1-NH2 2.87Å; S72-R83 VanDerWaalsContact CB-NH1 3.32Å; S72-R83 VanDerWaalsContact CB-NH2 3.3Å; S72-R83 PolarHBondContact OG-NH1 2.85Å; S72-R83 VanDerWaalsContact OG-NH1 3.1Å; S72-R83 PolarHBondContact OG-NH2 3.34Å; D79-R83 VanDerWaalsContact O-CB 3.28Å; D79-R83 WeakPolarHBondContact O-CB 2.93Å; D79-R83 PolarHBondContact O-N 3.47Å; N80-R83 VanDerWaalsContact OD1-CZ 3.27Å; N80-R83 PolarHBondContact OD1-NH1 2.95Å; N80-R83 PolarHBondContact OD1-NH2 3.47Å; R83-L86 PolarHBondContact O-N 3.2Å; R83-S87 WeakPolarHBondContact O-CB 3.24Å; R83-S87 PolarHBondContact O-N 3.42Å; R83-S87 PolarHBondContact O-OG 3.3Å |
| 84 | R | 83.9 | Confident | 85.3 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 19% | 0.192 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 176.4 | -78.7 | 169.5 | -179.5 | -175.7 | 4.3 | 111.4 | E73 N80 I81 V82 S87 R88 G148 | E73-R84 VanDerWaalsContact CD-NH2 3.31Å; E73-R84 IonicContact OE1-CZ 3.99Å; E73-R84 IonicContact OE1-NE 3.77Å; E73-R84 IonicContact OE1-NH2 3.85Å; E73-R84 PolarHBondContact OE1-NH2 2.98Å; E73-R84 IonicContact OE2-NH2 3.06Å; N80-R84 WeakPolarHBondContact O-CB 3.31Å; N80-R84 WeakPolarHBondContact O-CD 3.24Å; N80-R84 WeakPolarHBondContact O-CG 3.37Å; N80-R84 PolarHBondContact O-N 3.44Å; I81-R84 PolarHBondContact O-N 2.84Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.49Å; R84-S87 PolarHBondContact O-N 2.92Å; R84-R88 WeakPolarHBondContact O-CB 3.32Å; R84-R88 WeakPolarHBondContact O-CG 3.5Å; R84-R88 PolarHBondContact O-N 3.23Å; R84-G148 PolarHBondContact NH1-O 2.9Å |
| 85 | L | 87.4 | Confident | 85.8 | Confident | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.5 | -53.5 | 175 | -79.1 | 158.6 | 0 | 0 | 0 | 111 | I81 V82 R88 M89 L127 L132 L146 | I81-L85 PolarHBondContact O-N 2.87Å; V82-L85 WeakPolarHBondContact O-CB 3.48Å; V82-L85 PolarHBondContact O-N 2.93Å; L85-R88 PolarHBondContact O-N 3.35Å; L85-M89 PolarHBondContact O-N 2.99Å; L85-M89 VanDerWaalsContact O-N 3.09Å; L85-L127 HydrophobicContact CB-CD1 4.34Å; L85-L132 HydrophobicContact CD2-CD1 3.53Å; L85-L132 HydrophobicContact CD2-CD2 3.73Å; L85-L132 HydrophobicContact CD2-CG 4.28Å; L85-L146 WeakPolarHBondContact CD2-O 3.38Å |
| 86 | L | 87.2 | Confident | 86.3 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 177.6 | -71.2 | 173.6 | 0 | 0 | 0 | 111.9 | V82 R83 R88 M89 E90 P120 L123 T124 | V82-L86 PolarHBondContact O-N 3.45Å; R83-L86 PolarHBondContact O-N 3.2Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.91Å; L86-M89 HydrophobicContact CD2-CE 4.04Å; L86-M89 PolarHBondContact O-N 3.02Å; L86-E90 WeakPolarHBondContact O-CG 3.48Å; L86-E90 PolarHBondContact O-N 2.95Å; L86-P120 HydrophobicContact CD1-CB 3.75Å; L86-P120 HydrophobicContact CD2-CB 4.48Å; L86-L123 HydrophobicContact CD2-CB 4.24Å; L86-L123 HydrophobicContact CD2-CD2 4.08Å; L86-L123 HydrophobicContact CD2-CG 4.2Å; L86-T124 HydrophobicContact CD1-CG2 3.55Å; L86-T124 HydrophobicContact CD2-CG2 3.64Å; L86-T124 HydrophobicContact CG-CG2 3.35Å |
| 87 | S | 87.6 | Confident | 86.7 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.4 | -36.8 | -178.1 | -54.6 | 0 | 0 | 0 | 0 | 112 | R83 R84 H91 | R83-S87 WeakPolarHBondContact O-CB 3.24Å; R83-S87 PolarHBondContact O-N 3.42Å; R83-S87 PolarHBondContact O-OG 3.3Å; R84-S87 PolarHBondContact O-N 2.92Å; S87-H91 VanDerWaalsContact O-CB 3.23Å; S87-H91 WeakPolarHBondContact O-CB 3.34Å; S87-H91 PolarHBondContact O-N 3.21Å |
| 88 | R | 91.6 | Very high | 87.4 | Confident | 23 Ų | 23 | 51 Ų | 51 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.7 | -37 | 179.3 | -73 | 175.1 | 177.9 | -179 | -9.2 | 111.9 | R84 L85 L86 H91 I92 W145 L146 V150 | R84-R88 WeakPolarHBondContact O-CB 3.32Å; R84-R88 WeakPolarHBondContact O-CG 3.5Å; R84-R88 PolarHBondContact O-N 3.23Å; L85-R88 PolarHBondContact O-N 3.35Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.91Å; R88-H91 PolarHBondContact O-N 3.39Å; R88-I92 VanDerWaalsContact O-CG1 3.31Å; R88-I92 WeakPolarHBondContact O-CG1 3.42Å; R88-I92 PolarHBondContact O-N 2.74Å; R88-W145 HydrophobicContact CB-CH2 3.76Å; R88-W145 HydrophobicContact CB-CZ2 4.04Å; R88-W145 HydrophobicContact CB-CZ3 4.02Å; R88-W145 WeakPolarHBondContact CD-O 3.47Å; R88-W145 HydrophobicContact CG-CD2 4.34Å; R88-W145 HydrophobicContact CG-CH2 3.9Å; R88-W145 HydrophobicContact CG-CZ2 3.62Å; R88-W145 HydrophobicContact CG-CZ3 4.37Å; R88-W145 VanDerWaalsContact CZ-O 3.27Å; R88-W145 PolarHBondContact NE-O 3.36Å; R88-W145 PolarHBondContact NH1-O 3.1Å; R88-L146 HydrophobicContact CB-CD2 4.35Å; R88-V150 VanDerWaalsContact CZ-O 3.29Å; R88-V150 PolarHBondContact NH1-O 3.42Å; R88-V150 PolarHBondContact NH2-O 3.44Å |
| 89 | M | 90.6 | Very high | 88.3 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 172.1 | -179.8 | 172.8 | 54.5 | 0 | 0 | 111.6 | L85 L86 H91 I92 M93 F117 L123 L127 | L85-M89 PolarHBondContact O-N 2.99Å; L85-M89 VanDerWaalsContact O-N 3.09Å; L86-M89 HydrophobicContact CD2-CE 4.04Å; L86-M89 PolarHBondContact O-N 3.02Å; M89-H91 VanDerWaalsContact C-N 3.27Å; M89-H91 PolarHBondContact O-N 3Å; M89-I92 PolarHBondContact O-N 3.23Å; M89-M93 HydrophobicContact CG-SD 4.28Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 3.13Å; M89-F117 HydrophobicContact CE-CE1 4.32Å; M89-F117 HydrophobicContact SD-CE1 4.05Å; M89-L123 HydrophobicContact CE-CD1 4.34Å; M89-L123 HydrophobicContact CE-CD2 3.15Å; M89-L123 HydrophobicContact CE-CG 3.7Å; M89-L123 HydrophobicContact SD-CD2 4.37Å; M89-L127 HydrophobicContact CE-CD1 3.92Å; M89-L127 HydrophobicContact CE-CD2 4.46Å; M89-L127 HydrophobicContact SD-CD1 4.35Å; M89-L127 HydrophobicContact SD-CD2 3.98Å |
| 90 | E | 90.5 | Very high | 89 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 173.1 | -71.6 | 178.7 | 167.1 | 0 | 0 | 111.3 | L86 M93 Q94 | L86-E90 WeakPolarHBondContact O-CG 3.48Å; L86-E90 PolarHBondContact O-N 2.95Å; E90-M93 WeakPolarHBondContact O-CB 3.46Å; E90-M93 PolarHBondContact O-N 3.39Å; E90-Q94 WeakPolarHBondContact O-CB 3.38Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.29Å; E90-Q94 PolarHBondContact O-N 3.01Å |
| 91 | H | 92 | Very high | 89.6 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 38% | 0.384 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.6 | -171.9 | 60.6 | 0 | 0 | 0 | 112.2 | S87 R88 M89 M93 Q94 A95 L261 | S87-H91 VanDerWaalsContact O-CB 3.23Å; S87-H91 WeakPolarHBondContact O-CB 3.34Å; S87-H91 PolarHBondContact O-N 3.21Å; R88-H91 PolarHBondContact O-N 3.39Å; M89-H91 VanDerWaalsContact C-N 3.27Å; M89-H91 PolarHBondContact O-N 3Å; H91-M93 VanDerWaalsContact C-N 3.33Å; H91-M93 PolarHBondContact O-N 3.49Å; H91-Q94 PolarHBondContact O-N 2.99Å; H91-A95 WeakPolarHBondContact O-CB 3.23Å; H91-A95 PolarHBondContact O-N 2.92Å; H91-L261 WeakPolarHBondContact CD2-CD1 3.44Å; H91-L261 WeakPolarHBondContact NE2-CD1 3.19Å |
| 92 | I | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58 | -49 | 172 | -69.9 | 163.9 | 0 | 0 | 0 | 109.9 | R88 M89 Q94 A95 H96 M103 F139 L141 W145 L146 | R88-I92 VanDerWaalsContact O-CG1 3.31Å; R88-I92 WeakPolarHBondContact O-CG1 3.42Å; R88-I92 PolarHBondContact O-N 2.74Å; M89-I92 PolarHBondContact O-N 3.23Å; I92-Q94 PolarHBondContact O-N 3.31Å; I92-A95 PolarHBondContact O-N 3.39Å; I92-H96 WeakPolarHBondContact O-CB 3.46Å; I92-H96 PolarHBondContact O-CD2 3.25Å; I92-H96 VanDerWaalsContact O-CD2 3.3Å; I92-H96 PolarHBondContact O-N 2.72Å; I92-M103 HydrophobicContact CG2-CE 4.35Å; I92-F139 HydrophobicContact CG2-CD1 4.06Å; I92-F139 HydrophobicContact CG2-CD2 3.92Å; I92-F139 HydrophobicContact CG2-CE1 4.09Å; I92-F139 HydrophobicContact CG2-CE2 3.95Å; I92-F139 HydrophobicContact CG2-CG 4Å; I92-F139 HydrophobicContact CG2-CZ 4.05Å; I92-L141 HydrophobicContact CD1-CD1 3.52Å; I92-L141 HydrophobicContact CG1-CD1 3.71Å; I92-W145 HydrophobicContact CD1-CZ3 3.96Å; I92-W145 HydrophobicContact CG1-CH2 4.23Å; I92-W145 HydrophobicContact CG1-CZ3 4.03Å; I92-L146 HydrophobicContact CD1-CD2 3.54Å; I92-L146 HydrophobicContact CD1-CG 4.48Å |
| 93 | M | 94.1 | Very high | 91.1 | Very high | 28 Ų | 28 | 48 Ų | 48 | 14% | 0.138 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.9 | -49.9 | -178.6 | -73.4 | 173.1 | 62.6 | 0 | 0 | 111.4 | M89 E90 H91 D97 I98 A100 M103 F117 | M89-M93 HydrophobicContact CG-SD 4.28Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 3.13Å; E90-M93 WeakPolarHBondContact O-CB 3.46Å; E90-M93 PolarHBondContact O-N 3.39Å; H91-M93 VanDerWaalsContact C-N 3.33Å; H91-M93 PolarHBondContact O-N 3.49Å; M93-D97 WeakPolarHBondContact O-CA 3.46Å; M93-D97 PolarHBondContact O-N 3.3Å; M93-I98 WeakPolarHBondContact CB-O 3.25Å; M93-I98 HydrophobicContact CG-CB 4.49Å; M93-I98 HydrophobicContact CG-CG2 4.47Å; M93-I98 PolarHBondContact O-N 2.99Å; M93-A100 HydrophobicContact CE-CB 4.12Å; M93-M103 HydrophobicContact CE-CB 4.32Å; M93-M103 HydrophobicContact CG-CB 4.42Å; M93-M103 HydrophobicContact CG-CE 3.45Å; M93-M103 VanDerWaalsContact CG-CE 3.45Å; M93-M103 HydrophobicContact CG-CG 4.44Å; M93-M103 HydrophobicContact SD-CB 4.17Å; M93-M103 HydrophobicContact SD-CE 4.26Å; M93-M103 HydrophobicContact SD-CG 4.15Å; M93-F117 HydrophobicContact SD-CD1 4.46Å; M93-F117 HydrophobicContact SD-CE1 4.16Å |
| 94 | Q | 92.9 | Very high | 91.6 | Very high | 131 Ų | 131 | 44.8 Ų | 44.8 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.7 | -48.2 | 178 | -70.2 | 171.9 | 4 | 0 | 0 | 111.7 | E90 H91 I92 H96 D97 R267 | E90-Q94 WeakPolarHBondContact O-CB 3.38Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.29Å; E90-Q94 PolarHBondContact O-N 3.01Å; H91-Q94 PolarHBondContact O-N 2.99Å; I92-Q94 PolarHBondContact O-N 3.31Å; Q94-H96 VanDerWaalsContact C-N 3.28Å; Q94-H96 PolarHBondContact O-N 3.19Å; Q94-D97 PolarHBondContact O-N 3.25Å; Q94-R267 PolarHBondContact O-NH1 3.17Å; Q94-R267 PolarHBondContact O-NH2 3.39Å |
| 95 | A | 93 | Very high | 92.1 | Very high | 14 Ų | 14 | 44 Ų | 44 | 12% | 0.116 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -24.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H91 I92 L261 T263 R267 | H91-A95 WeakPolarHBondContact O-CB 3.23Å; H91-A95 PolarHBondContact O-N 2.92Å; I92-A95 PolarHBondContact O-N 3.39Å; A95-L261 HydrophobicContact CB-CD1 3.5Å; A95-T263 HydrophobicContact CB-CG2 3.68Å; A95-T263 WeakPolarHBondContact O-CG2 3.31Å; A95-T263 PolarHBondContact O-OG1 3.42Å; A95-R267 PolarHBondContact O-NE 3.19Å; A95-R267 PolarHBondContact O-NH2 2.92Å |
| 96 | H | 93.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 9% | 0.088 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -104.7 | -0 | 176.7 | -69.2 | -83.2 | 0 | 0 | 0 | 114.4 | I92 Q94 I98 F139 | I92-H96 WeakPolarHBondContact O-CB 3.46Å; I92-H96 PolarHBondContact O-CD2 3.25Å; I92-H96 VanDerWaalsContact O-CD2 3.3Å; I92-H96 PolarHBondContact O-N 2.72Å; Q94-H96 VanDerWaalsContact C-N 3.28Å; Q94-H96 PolarHBondContact O-N 3.19Å; H96-I98 HydrophobicContact CB-CD1 3.73Å; H96-I98 HydrophobicContact CB-CG1 3.84Å; H96-F139 HydrophobicContact CB-CE1 4.19Å; H96-F139 AromaticContact CD2-CD1 3.7Å; H96-F139 AromaticContact CE1-CD1 3.84Å; H96-F139 AromaticContact CG-CD1 3.89Å; H96-F139 AromaticContact CG-CE1 3.86Å; H96-F139 AromaticContact ND1-CD1 3.98Å; H96-F139 AromaticContact NE2-CD1 3.68Å |
| 97 | D | 92.8 | Very high | 92.8 | Very high | 138 Ų | 138 | 41.9 Ų | 41.9 | 74% | 0.738 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 44.2 | -177.6 | -160.6 | 31.3 | 0 | 0 | 0 | 112.4 | M93 Q94 R267 | M93-D97 WeakPolarHBondContact O-CA 3.46Å; M93-D97 PolarHBondContact O-N 3.3Å; Q94-D97 PolarHBondContact O-N 3.25Å; D97-R267 VanDerWaalsContact CB-NH2 3.28Å |
| 98 | I | 94.3 | Very high | 93 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | trans | -101.2 | 118.5 | -177.5 | -63.4 | 179.1 | 0 | 0 | 0 | 108.8 | M93 H96 T102 M103 F139 I211 | M93-I98 WeakPolarHBondContact CB-O 3.25Å; M93-I98 HydrophobicContact CG-CB 4.49Å; M93-I98 HydrophobicContact CG-CG2 4.47Å; M93-I98 PolarHBondContact O-N 2.99Å; H96-I98 HydrophobicContact CB-CD1 3.73Å; H96-I98 HydrophobicContact CB-CG1 3.84Å; I98-T102 HydrophobicContact CG2-CG2 3.92Å; I98-M103 HydrophobicContact CG2-CB 3.97Å; I98-M103 HydrophobicContact CG2-CE 4.28Å; I98-F139 HydrophobicContact CD1-CE1 3.45Å; I98-F139 VanDerWaalsContact CD1-CE1 3.45Å; I98-F139 HydrophobicContact CD1-CZ 3.3Å; I98-I211 HydrophobicContact CD1-CG2 4.11Å | ||
| 99 | S | 92.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | trans | -68.5 | 157.7 | 172.9 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | T101 T102 M103 | S99-T101 PolarHBondContact O-N 2.98Å; S99-T101 PolarHBondContact OG-OG1 2.62Å; S99-T102 PolarHBondContact O-N 2.66Å; S99-T102 VanDerWaalsContact O-N 3.07Å; S99-T102 WeakPolarHBondContact OG-CB 3.24Å; S99-T102 PolarHBondContact OG-N 2.94Å; S99-T102 PolarHBondContact OG-OG1 2.88Å; S99-M103 PolarHBondContact O-N 2.87Å | ||
| 100 | A | 91.3 | Very high | 93.3 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.1 | -33.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M93 A104 F117 | M93-A100 HydrophobicContact CE-CB 4.12Å; A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.29Å; A100-A104 PolarHBondContact O-N 3.44Å; A100-F117 HydrophobicContact CB-CB 4.16Å; A100-F117 HydrophobicContact CB-CG 4.25Å |
| 101 | T | 92.3 | Very high | 93.4 | Very high | 92 Ų | 92 | 48.5 Ų | 48.5 | 56% | 0.564 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.7 | -41.3 | 175.1 | 37.8 | 0 | 0 | 0 | 0 | 112.6 | S99 A105 P114 | S99-T101 PolarHBondContact O-N 2.98Å; S99-T101 PolarHBondContact OG-OG1 2.62Å; T101-A105 PolarHBondContact O-N 3.43Å; T101-P114 HydrophobicContact CG2-CB 4.35Å; T101-P114 HydrophobicContact CG2-CG 4.32Å |
| 102 | T | 94.4 | Very high | 93.3 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 175.8 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | I98 S99 A105 L106 T209 | I98-T102 HydrophobicContact CG2-CG2 3.92Å; S99-T102 PolarHBondContact O-N 2.66Å; S99-T102 VanDerWaalsContact O-N 3.07Å; S99-T102 WeakPolarHBondContact OG-CB 3.24Å; S99-T102 PolarHBondContact OG-N 2.94Å; S99-T102 PolarHBondContact OG-OG1 2.88Å; T102-A105 WeakPolarHBondContact O-CB 3.47Å; T102-A105 PolarHBondContact O-N 2.91Å; T102-L106 WeakPolarHBondContact O-CG 3.31Å; T102-L106 PolarHBondContact O-N 3.13Å; T102-T209 HydrophobicContact CG2-CG2 3.58Å |
| 103 | M | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.6 | -173.6 | 60.9 | 80.8 | 0 | 0 | 111.7 | I92 M93 I98 S99 A105 L106 L107 F117 L135 | I92-M103 HydrophobicContact CG2-CE 4.35Å; M93-M103 HydrophobicContact CE-CB 4.32Å; M93-M103 HydrophobicContact CG-CB 4.42Å; M93-M103 HydrophobicContact CG-CE 3.45Å; M93-M103 VanDerWaalsContact CG-CE 3.45Å; M93-M103 HydrophobicContact CG-CG 4.44Å; M93-M103 HydrophobicContact SD-CB 4.17Å; M93-M103 HydrophobicContact SD-CE 4.26Å; M93-M103 HydrophobicContact SD-CG 4.15Å; I98-M103 HydrophobicContact CG2-CB 3.97Å; I98-M103 HydrophobicContact CG2-CE 4.28Å; S99-M103 PolarHBondContact O-N 2.87Å; M103-A105 VanDerWaalsContact C-N 3.3Å; M103-A105 PolarHBondContact O-N 3.47Å; M103-L106 WeakPolarHBondContact O-CB 3.12Å; M103-L106 PolarHBondContact O-N 3.26Å; M103-L106 HydrophobicContact SD-CD1 4.12Å; M103-L107 HydrophobicContact CG-CD1 4.13Å; M103-L107 WeakPolarHBondContact O-CG 3.3Å; M103-L107 PolarHBondContact O-N 3.33Å; M103-L107 HydrophobicContact SD-CD1 4.37Å; M103-L107 HydrophobicContact SD-CG 4.44Å; M103-F117 HydrophobicContact CB-CE1 4.14Å; M103-F117 HydrophobicContact CB-CZ 3.94Å; M103-F117 HydrophobicContact CG-CE1 3.69Å; M103-F117 HydrophobicContact CG-CZ 3.48Å; M103-F117 VanDerWaalsContact CG-CZ 3.48Å; M103-L135 HydrophobicContact CE-CD2 4.35Å; M103-L135 HydrophobicContact SD-CD2 3.88Å |
| 104 | A | 93.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -37 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A100 L107 A108 P114 F117 | A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.29Å; A100-A104 PolarHBondContact O-N 3.44Å; A104-L107 CarbonylContact O-C 3.58Å; A104-L107 PolarHBondContact O-N 3.42Å; A104-A108 PolarHBondContact O-N 2.85Å; A104-P114 HydrophobicContact CB-CB 4.24Å; A104-P114 HydrophobicContact CB-CG 3.65Å; A104-F117 HydrophobicContact CB-CD2 4.28Å; A104-F117 HydrophobicContact CB-CE2 3.79Å |
| 105 | A | 94.3 | Very high | 92.5 | Very high | 36 Ų | 36 | 51.4 Ų | 51.4 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T101 T102 M103 L107 A108 T209 | T101-A105 PolarHBondContact O-N 3.43Å; T102-A105 WeakPolarHBondContact O-CB 3.47Å; T102-A105 PolarHBondContact O-N 2.91Å; M103-A105 VanDerWaalsContact C-N 3.3Å; M103-A105 PolarHBondContact O-N 3.47Å; A105-L107 VanDerWaalsContact C-N 3.26Å; A105-L107 PolarHBondContact O-N 2.93Å; A105-A108 WeakPolarHBondContact O-CB 3.45Å; A105-A108 PolarHBondContact O-N 2.77Å; A105-T209 HydrophobicContact CB-CG2 4.41Å; A105-T209 VanDerWaalsContact CB-OG1 3.24Å; A105-T209 WeakPolarHBondContact CB-OG1 3.19Å |
| 106 | L | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 171.1 | -68.1 | 167.7 | 0 | 0 | 0 | 111.8 | T102 M103 A108 W138 F139 I206 N207 T209 I211 | T102-L106 WeakPolarHBondContact O-CG 3.31Å; T102-L106 PolarHBondContact O-N 3.13Å; M103-L106 WeakPolarHBondContact O-CB 3.12Å; M103-L106 PolarHBondContact O-N 3.26Å; M103-L106 HydrophobicContact SD-CD1 4.12Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 2.78Å; L106-W138 HydrophobicContact CB-CH2 4.44Å; L106-W138 HydrophobicContact CB-CZ3 3.85Å; L106-W138 WeakPolarHBondContact O-CH2 3.28Å; L106-F139 HydrophobicContact CD1-CZ 4.34Å; L106-I206 HydrophobicContact CD2-CB 3.9Å; L106-I206 HydrophobicContact CD2-CG2 4.18Å; L106-N207 PolarHBondContact O-ND2 3.14Å; L106-T209 HydrophobicContact CD2-CG2 4.05Å; L106-T209 HydrophobicContact CG-CG2 4.11Å; L106-I211 HydrophobicContact CD1-CG2 3.67Å; L106-I211 HydrophobicContact CD2-CG2 3.86Å; L106-I211 HydrophobicContact CG-CG2 4.24Å |
| 107 | L | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 8.4 | -178.5 | -60.9 | 178.1 | 0 | 0 | 0 | 114 | M103 A104 A105 P109 W110 I112 F117 I131 L135 W138 | M103-L107 HydrophobicContact CG-CD1 4.13Å; M103-L107 WeakPolarHBondContact O-CG 3.3Å; M103-L107 PolarHBondContact O-N 3.33Å; M103-L107 HydrophobicContact SD-CD1 4.37Å; M103-L107 HydrophobicContact SD-CG 4.44Å; A104-L107 CarbonylContact O-C 3.58Å; A104-L107 PolarHBondContact O-N 3.42Å; A105-L107 VanDerWaalsContact C-N 3.26Å; A105-L107 PolarHBondContact O-N 2.93Å; L107-P109 VanDerWaalsContact C-N 3.32Å; L107-W110 HydrophobicContact CD2-CE3 4.27Å; L107-W110 HydrophobicContact CD2-CZ3 4.27Å; L107-W110 PolarHBondContact O-N 3.43Å; L107-W110 VanDerWaalsContact O-N 3.07Å; L107-I112 HydrophobicContact CB-CB 3.9Å; L107-I112 HydrophobicContact CB-CD1 4.07Å; L107-I112 HydrophobicContact CB-CG1 4.37Å; L107-I112 HydrophobicContact CB-CG2 4.47Å; L107-I112 HydrophobicContact CD1-CD1 3.92Å; L107-I112 HydrophobicContact CD1-CG2 4.34Å; L107-I112 HydrophobicContact CG-CD1 4.48Å; L107-F117 HydrophobicContact CD1-CZ 3.96Å; L107-I131 HydrophobicContact CD2-CG2 3.74Å; L107-L135 HydrophobicContact CD2-CD2 4.32Å; L107-L135 HydrophobicContact CD2-CG 4.48Å; L107-W138 HydrophobicContact CD2-CZ3 4.22Å |
| 108 | A | 91.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 44% | 0.438 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -53.8 | -36.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A104 A105 L106 W110 N111 | A104-A108 PolarHBondContact O-N 2.85Å; A105-A108 WeakPolarHBondContact O-CB 3.45Å; A105-A108 PolarHBondContact O-N 2.77Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 2.78Å; A108-W110 PolarHBondContact O-N 3.47Å; A108-W110 VanDerWaalsContact O-N 3.13Å; A108-N111 PolarHBondContact O-N 3.36Å |
| 109 | P | 93.6 | Very high | 91.3 | Very high | 73 Ų | 73 | 59.1 Ų | 59.1 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -58.8 | -25.1 | 177.7 | -27.1 | 36.6 | 0 | 0 | 0 | 114.7 | L107 N207 | L107-P109 VanDerWaalsContact C-N 3.32Å; P109-N207 WeakPolarHBondContact CD-ND2 3.11Å; P109-N207 HydrophobicContact CG-CB 4.41Å; P109-N207 VanDerWaalsContact CG-CG 3.48Å; P109-N207 VanDerWaalsContact CG-ND2 3.28Å; P109-N207 WeakPolarHBondContact CG-ND2 3.5Å |
| 110 | W | 94 | Very high | 90.8 | Very high | 71 Ų | 71 | 59.5 Ų | 59.5 | 27% | 0.269 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -99.8 | 16.6 | 177.7 | -59.2 | -90.4 | 0 | 0 | 0 | 113.1 | L107 A108 I112 I131 A134 W138 | L107-W110 HydrophobicContact CD2-CE3 4.27Å; L107-W110 HydrophobicContact CD2-CZ3 4.27Å; L107-W110 PolarHBondContact O-N 3.43Å; L107-W110 VanDerWaalsContact O-N 3.07Å; A108-W110 PolarHBondContact O-N 3.47Å; A108-W110 VanDerWaalsContact O-N 3.13Å; W110-I112 HydrophobicContact CB-CD1 4.43Å; W110-I112 HydrophobicContact CB-CG1 4.31Å; W110-I112 PolarHBondContact O-N 2.65Å; W110-I131 HydrophobicContact CB-CD1 3.81Å; W110-I131 HydrophobicContact CB-CG1 4.26Å; W110-I131 HydrophobicContact CD2-CD1 4.05Å; W110-I131 HydrophobicContact CD2-CG1 3.47Å; W110-I131 VanDerWaalsContact CD2-CG1 3.47Å; W110-I131 HydrophobicContact CE3-CG1 4.02Å; W110-I131 HydrophobicContact CG-CD1 3.63Å; W110-I131 HydrophobicContact CG-CG1 3.58Å; W110-I131 HydrophobicContact CZ2-CG1 4.18Å; W110-A134 HydrophobicContact CH2-CB 3.69Å; W110-A134 HydrophobicContact CZ2-CB 4.14Å; W110-W138 AromaticContact CH2-CH2 3.96Å; W110-W138 HydrophobicContact CH2-CH2 3.96Å; W110-W138 HydrophobicContact CH2-CZ2 4.01Å; W110-W138 AromaticContact CZ3-CH2 3.71Å; W110-W138 HydrophobicContact CZ3-CH2 3.71Å; W110-W138 HydrophobicContact CZ3-CZ2 4.19Å |
| 111 | N | 91.8 | Very high | 90.4 | Very high | 125 Ų | 125 | 63.9 Ų | 63.9 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 24.1 | 179.3 | -63.7 | -60 | 0 | 0 | 0 | 115.3 | A108 R113 | A108-N111 PolarHBondContact O-N 3.36Å; N111-R113 PolarHBondContact O-N 2.84Å |
| 112 | I | 91.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | trans | -81.5 | 113.8 | 176.5 | -55.9 | 178.7 | 0 | 0 | 0 | 109.4 | L107 W110 V116 F117 L123 Y126 I131 | L107-I112 HydrophobicContact CB-CB 3.9Å; L107-I112 HydrophobicContact CB-CD1 4.07Å; L107-I112 HydrophobicContact CB-CG1 4.37Å; L107-I112 HydrophobicContact CB-CG2 4.47Å; L107-I112 HydrophobicContact CD1-CD1 3.92Å; L107-I112 HydrophobicContact CD1-CG2 4.34Å; L107-I112 HydrophobicContact CG-CD1 4.48Å; W110-I112 HydrophobicContact CB-CD1 4.43Å; W110-I112 HydrophobicContact CB-CG1 4.31Å; W110-I112 PolarHBondContact O-N 2.65Å; I112-V116 HydrophobicContact CG2-CB 4.28Å; I112-V116 HydrophobicContact CG2-CG1 4.49Å; I112-F117 HydrophobicContact CG2-CE2 3.84Å; I112-F117 HydrophobicContact CG2-CZ 4.44Å; I112-L123 HydrophobicContact CG2-CD1 4.18Å; I112-Y126 HydrophobicContact CD1-CG 4.36Å; I112-Y126 HydrophobicContact CG1-CD1 4.1Å; I112-Y126 HydrophobicContact CG1-CG 4.17Å; I112-I131 HydrophobicContact CD1-CD1 3.83Å | ||
| 113 | R | 88.7 | Confident | 89.8 | Confident | 182 Ų | 182 | 63.1 Ų | 63.1 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | trans | -96.7 | 156.9 | -178.3 | -63 | -175.6 | -177.5 | -123.5 | -0.5 | 111.2 | N111 A115 V116 | N111-R113 PolarHBondContact O-N 2.84Å; R113-A115 PolarHBondContact O-N 2.92Å; R113-V116 WeakPolarHBondContact O-CB 3.33Å; R113-V116 WeakPolarHBondContact O-CG2 3.2Å; R113-V116 PolarHBondContact O-N 3.46Å | ||
| 114 | P | 86.7 | Confident | 89.4 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -53.5 | -30.1 | 177.8 | -26.3 | 32.8 | 0 | 0 | 0 | 114.6 | T101 A104 V116 F117 | T101-P114 HydrophobicContact CG2-CB 4.35Å; T101-P114 HydrophobicContact CG2-CG 4.32Å; A104-P114 HydrophobicContact CB-CB 4.24Å; A104-P114 HydrophobicContact CB-CG 3.65Å; P114-V116 VanDerWaalsContact C-N 3.26Å; P114-V116 PolarHBondContact O-N 3.18Å; P114-F117 WeakPolarHBondContact O-CB 3.48Å; P114-F117 PolarHBondContact O-N 3.25Å |
| 115 | A | 88.6 | Confident | 89.1 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -61.3 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | R113 F117 R118 | R113-A115 PolarHBondContact O-N 2.92Å; A115-F117 PolarHBondContact O-N 2.84Å; A115-R118 WeakPolarHBondContact O-CB 3.29Å; A115-R118 PolarHBondContact O-N 3.4Å |
| 116 | V | 89.6 | Confident | 88.9 | Confident | 9 Ų | 9 | 72.3 Ų | 72.3 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -63.8 | -31 | 179.7 | -175.3 | 0 | 0 | 0 | 0 | 111 | I112 R113 P114 R118 E119 R122 L123 Y126 | I112-V116 HydrophobicContact CG2-CB 4.28Å; I112-V116 HydrophobicContact CG2-CG1 4.49Å; R113-V116 WeakPolarHBondContact O-CB 3.33Å; R113-V116 WeakPolarHBondContact O-CG2 3.2Å; R113-V116 PolarHBondContact O-N 3.46Å; P114-V116 VanDerWaalsContact C-N 3.26Å; P114-V116 PolarHBondContact O-N 3.18Å; V116-R118 PolarHBondContact O-N 3.37Å; V116-R118 VanDerWaalsContact O-N 3.14Å; V116-E119 CarbonylContact O-C 3.55Å; V116-E119 PolarHBondContact O-N 2.68Å; V116-R122 HydrophobicContact CG1-CG 4.47Å; V116-L123 HydrophobicContact CG1-CB 4.02Å; V116-L123 HydrophobicContact CG1-CD1 3.86Å; V116-Y126 HydrophobicContact CG1-CD2 3.62Å; V116-Y126 HydrophobicContact CG1-CE2 3.71Å; V116-Y126 HydrophobicContact CG2-CE2 4.18Å |
| 117 | F | 86.7 | Confident | 88.6 | Confident | 34 Ų | 34 | 73 Ų | 73 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -66.7 | -12 | 176.2 | -71.2 | -94.6 | 0 | 0 | 0 | 114.1 | M89 M93 A100 M103 A104 L107 I112 P114 A115 E119 L123 | M89-F117 HydrophobicContact CE-CE1 4.32Å; M89-F117 HydrophobicContact SD-CE1 4.05Å; M93-F117 HydrophobicContact SD-CD1 4.46Å; M93-F117 HydrophobicContact SD-CE1 4.16Å; A100-F117 HydrophobicContact CB-CB 4.16Å; A100-F117 HydrophobicContact CB-CG 4.25Å; M103-F117 HydrophobicContact CB-CE1 4.14Å; M103-F117 HydrophobicContact CB-CZ 3.94Å; M103-F117 HydrophobicContact CG-CE1 3.69Å; M103-F117 HydrophobicContact CG-CZ 3.48Å; M103-F117 VanDerWaalsContact CG-CZ 3.48Å; A104-F117 HydrophobicContact CB-CD2 4.28Å; A104-F117 HydrophobicContact CB-CE2 3.79Å; L107-F117 HydrophobicContact CD1-CZ 3.96Å; I112-F117 HydrophobicContact CG2-CE2 3.84Å; I112-F117 HydrophobicContact CG2-CZ 4.44Å; P114-F117 WeakPolarHBondContact O-CB 3.48Å; P114-F117 PolarHBondContact O-N 3.25Å; A115-F117 PolarHBondContact O-N 2.84Å; F117-E119 VanDerWaalsContact C-N 3.34Å; F117-L123 HydrophobicContact CD1-CD2 3.69Å; F117-L123 HydrophobicContact CE1-CD1 4.44Å; F117-L123 HydrophobicContact CE1-CD2 3.95Å; F117-L123 HydrophobicContact CG-CD2 4.22Å; F117-L123 HydrophobicContact CZ-CD1 4.39Å |
| 118 | R | 84.3 | Confident | 88.5 | Confident | 215 Ų | 215 | 76 Ų | 76 | 81% | 0.811 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -86.3 | -9.6 | 172.9 | -58.7 | -177.2 | -177.1 | 168.4 | -0.2 | 112.8 | A115 V116 | A115-R118 WeakPolarHBondContact O-CB 3.29Å; A115-R118 PolarHBondContact O-N 3.4Å; V116-R118 PolarHBondContact O-N 3.37Å; V116-R118 VanDerWaalsContact O-N 3.14Å |
| 119 | E | 87.1 | Confident | 88.4 | Confident | 91 Ų | 91 | 76.3 Ų | 76.3 | 43% | 0.425 | 39% | 0.39 | S | S | . | . | trans | -123.3 | 82.7 | -177.2 | -68.3 | 169.5 | -144.9 | 0 | 0 | 108.3 | V116 F117 D121 R122 L123 | V116-E119 CarbonylContact O-C 3.55Å; V116-E119 PolarHBondContact O-N 2.68Å; F117-E119 VanDerWaalsContact C-N 3.34Å; E119-D121 VanDerWaalsContact C-N 3.31Å; E119-D121 PolarHBondContact O-N 2.91Å; E119-R122 HydrophobicContact CB-CB 3.77Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 3.09Å; E119-R122 IonicContact OE1-NH1 3.88Å; E119-R122 WeakPolarHBondContact OE2-CD 3.49Å; E119-R122 IonicContact OE2-CZ 3.44Å; E119-R122 IonicContact OE2-NE 2.75Å; E119-R122 IonicContact OE2-NH1 3.69Å; E119-R122 PolarHBondContact OE2-NH1 2.95Å; E119-L123 PolarHBondContact O-N 3.45Å | ||
| 120 | P | 81.7 | Confident | 88.4 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.4 | -41.8 | -172.3 | -25 | 33.5 | 0 | 0 | 0 | 113.6 | L86 R122 L123 T124 | L86-P120 HydrophobicContact CD1-CB 3.75Å; L86-P120 HydrophobicContact CD2-CB 4.48Å; P120-R122 VanDerWaalsContact C-N 3.28Å; P120-R122 PolarHBondContact O-N 3.17Å; P120-L123 WeakPolarHBondContact O-CB 3.39Å; P120-L123 PolarHBondContact O-N 2.99Å; P120-L123 VanDerWaalsContact O-N 3.16Å; P120-T124 PolarHBondContact O-N 3.38Å; P120-T124 VanDerWaalsContact O-N 3.13Å |
| 121 | D | 82.6 | Confident | 88.4 | Confident | 132 Ų | 132 | 76.3 Ų | 76.3 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.4 | -36 | 178.4 | -57.9 | -31.6 | 0 | 0 | 0 | 111.9 | E119 T124 | E119-D121 VanDerWaalsContact C-N 3.31Å; E119-D121 PolarHBondContact O-N 2.91Å; D121-T124 PolarHBondContact O-OG1 3.45Å |
| 122 | R | 87.5 | Confident | 88.5 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.9 | -36.3 | 176.3 | -173.3 | 179 | 178.7 | 174.6 | 4.8 | 111.4 | V116 E119 P120 T124 D125 Y126 | V116-R122 HydrophobicContact CG1-CG 4.47Å; E119-R122 HydrophobicContact CB-CB 3.77Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 3.09Å; E119-R122 IonicContact OE1-NH1 3.88Å; E119-R122 WeakPolarHBondContact OE2-CD 3.49Å; E119-R122 IonicContact OE2-CZ 3.44Å; E119-R122 IonicContact OE2-NE 2.75Å; E119-R122 IonicContact OE2-NH1 3.69Å; E119-R122 PolarHBondContact OE2-NH1 2.95Å; P120-R122 VanDerWaalsContact C-N 3.28Å; P120-R122 PolarHBondContact O-N 3.17Å; R122-T124 PolarHBondContact O-N 2.92Å; R122-D125 WeakPolarHBondContact O-CB 3.49Å; R122-D125 PolarHBondContact O-N 2.82Å; R122-Y126 HydrophobicContact CG-CE2 3.95Å; R122-Y126 WeakPolarHBondContact O-CD2 3.42Å |
| 123 | L | 88.1 | Confident | 88.5 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 177.3 | -176.5 | 55.9 | 0 | 0 | 0 | 111.4 | L86 M89 I112 V116 F117 E119 P120 D125 Y126 L127 | L86-L123 HydrophobicContact CD2-CB 4.24Å; L86-L123 HydrophobicContact CD2-CD2 4.08Å; L86-L123 HydrophobicContact CD2-CG 4.2Å; M89-L123 HydrophobicContact CE-CD1 4.34Å; M89-L123 HydrophobicContact CE-CD2 3.15Å; M89-L123 HydrophobicContact CE-CG 3.7Å; M89-L123 HydrophobicContact SD-CD2 4.37Å; I112-L123 HydrophobicContact CG2-CD1 4.18Å; V116-L123 HydrophobicContact CG1-CB 4.02Å; V116-L123 HydrophobicContact CG1-CD1 3.86Å; F117-L123 HydrophobicContact CD1-CD2 3.69Å; F117-L123 HydrophobicContact CE1-CD1 4.44Å; F117-L123 HydrophobicContact CE1-CD2 3.95Å; F117-L123 HydrophobicContact CG-CD2 4.22Å; F117-L123 HydrophobicContact CZ-CD1 4.39Å; E119-L123 PolarHBondContact O-N 3.45Å; P120-L123 WeakPolarHBondContact O-CB 3.39Å; P120-L123 PolarHBondContact O-N 2.99Å; P120-L123 VanDerWaalsContact O-N 3.16Å; L123-D125 VanDerWaalsContact C-N 3.27Å; L123-D125 PolarHBondContact O-N 3.06Å; L123-Y126 PolarHBondContact O-N 3.14Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.3Å |
| 124 | T | 86.4 | Confident | 88.8 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 15% | 0.153 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -33.8 | 177 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | V82 L86 P120 D121 R122 Y126 L127 | V82-T124 HydrophobicContact CG1-CG2 3.55Å; L86-T124 HydrophobicContact CD1-CG2 3.55Å; L86-T124 HydrophobicContact CD2-CG2 3.64Å; L86-T124 HydrophobicContact CG-CG2 3.35Å; P120-T124 PolarHBondContact O-N 3.38Å; P120-T124 VanDerWaalsContact O-N 3.13Å; D121-T124 PolarHBondContact O-OG1 3.45Å; R122-T124 PolarHBondContact O-N 2.92Å; T124-Y126 PolarHBondContact O-N 3.38Å; T124-L127 PolarHBondContact O-N 3.41Å |
| 125 | D | 87.2 | Confident | 89.2 | Confident | 134 Ų | 134 | 62.6 Ų | 62.6 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.2 | -25.8 | 176.7 | -65.5 | -25.8 | 0 | 0 | 0 | 112.5 | R122 L123 | R122-D125 WeakPolarHBondContact O-CB 3.49Å; R122-D125 PolarHBondContact O-N 2.82Å; L123-D125 VanDerWaalsContact C-N 3.27Å; L123-D125 PolarHBondContact O-N 3.06Å |
| 126 | Y | 90.3 | Very high | 89.4 | Confident | 76 Ų | 76 | 60 Ų | 60 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -85 | -20.9 | 177.1 | -70.9 | -79.3 | 0 | 0 | 0 | 113.4 | I112 V116 R122 L123 T124 T128 I131 | I112-Y126 HydrophobicContact CD1-CG 4.36Å; I112-Y126 HydrophobicContact CG1-CD1 4.1Å; I112-Y126 HydrophobicContact CG1-CG 4.17Å; V116-Y126 HydrophobicContact CG1-CD2 3.62Å; V116-Y126 HydrophobicContact CG1-CE2 3.71Å; V116-Y126 HydrophobicContact CG2-CE2 4.18Å; R122-Y126 HydrophobicContact CG-CE2 3.95Å; R122-Y126 WeakPolarHBondContact O-CD2 3.42Å; L123-Y126 PolarHBondContact O-N 3.14Å; T124-Y126 PolarHBondContact O-N 3.38Å; Y126-T128 PolarHBondContact O-N 2.88Å; Y126-I131 WeakPolarHBondContact O-CD1 3.34Å |
| 127 | L | 89.3 | Confident | 89.6 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | trans | -78 | 66.7 | -173.2 | -67.6 | 178.9 | 0 | 0 | 0 | 112.4 | L85 M89 L123 T124 I131 L132 | L85-L127 HydrophobicContact CB-CD1 4.34Å; M89-L127 HydrophobicContact CE-CD1 3.92Å; M89-L127 HydrophobicContact CE-CD2 4.46Å; M89-L127 HydrophobicContact SD-CD1 4.35Å; M89-L127 HydrophobicContact SD-CD2 3.98Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.3Å; T124-L127 PolarHBondContact O-N 3.41Å; L127-I131 HydrophobicContact CD2-CG2 4.05Å; L127-L132 HydrophobicContact CB-CD2 4.28Å | ||
| 128 | T | 90.9 | Very high | 90 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | trans | -68.4 | 161.9 | 178 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | Y126 E130 I131 L132 | Y126-T128 PolarHBondContact O-N 2.88Å; T128-E130 PolarHBondContact O-N 2.93Å; T128-E130 VanDerWaalsContact O-N 3.13Å; T128-I131 PolarHBondContact O-N 3.19Å; T128-L132 WeakPolarHBondContact O-CG 3.28Å; T128-L132 PolarHBondContact O-N 2.99Å | ||
| 129 | G | 90.8 | Very high | 90.5 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 60% | 0.598 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -55.3 | -31.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | A133 | G129-A133 VanDerWaalsContact O-CB 3.31Å; G129-A133 WeakPolarHBondContact O-CB 3.37Å; G129-A133 PolarHBondContact O-N 3.39Å |
| 130 | E | 93.6 | Very high | 90.8 | Very high | 142 Ų | 142 | 50.9 Ų | 50.9 | 66% | 0.664 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.5 | -45.1 | 175.6 | -65 | -178.4 | 175.5 | 0 | 0 | 112.2 | T128 A133 A134 | T128-E130 PolarHBondContact O-N 2.93Å; T128-E130 VanDerWaalsContact O-N 3.13Å; E130-A133 PolarHBondContact O-N 3.22Å; E130-A134 WeakPolarHBondContact O-CB 3.38Å; E130-A134 PolarHBondContact O-N 2.75Å |
| 131 | I | 93.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.1 | -73.3 | 158.2 | 0 | 0 | 0 | 110.5 | L107 W110 I112 Y126 L127 T128 A133 A134 L135 | L107-I131 HydrophobicContact CD2-CG2 3.74Å; W110-I131 HydrophobicContact CB-CD1 3.81Å; W110-I131 HydrophobicContact CB-CG1 4.26Å; W110-I131 HydrophobicContact CD2-CD1 4.05Å; W110-I131 HydrophobicContact CD2-CG1 3.47Å; W110-I131 VanDerWaalsContact CD2-CG1 3.47Å; W110-I131 HydrophobicContact CE3-CG1 4.02Å; W110-I131 HydrophobicContact CG-CD1 3.63Å; W110-I131 HydrophobicContact CG-CG1 3.58Å; W110-I131 HydrophobicContact CZ2-CG1 4.18Å; I112-I131 HydrophobicContact CD1-CD1 3.83Å; Y126-I131 WeakPolarHBondContact O-CD1 3.34Å; L127-I131 HydrophobicContact CD2-CG2 4.05Å; T128-I131 PolarHBondContact O-N 3.19Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 3.07Å; I131-A134 PolarHBondContact O-N 3.35Å; I131-L135 HydrophobicContact CG2-CD1 3.97Å; I131-L135 HydrophobicContact CG2-CG 4.39Å; I131-L135 WeakPolarHBondContact O-CB 3.41Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.25Å |
| 132 | L | 92.9 | Very high | 91.8 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 177 | -60.9 | 177.8 | 0 | 0 | 0 | 111.4 | L85 L127 T128 A136 L146 N147 | L85-L132 HydrophobicContact CD2-CD1 3.53Å; L85-L132 HydrophobicContact CD2-CD2 3.73Å; L85-L132 HydrophobicContact CD2-CG 4.28Å; L127-L132 HydrophobicContact CB-CD2 4.28Å; T128-L132 WeakPolarHBondContact O-CG 3.28Å; T128-L132 PolarHBondContact O-N 2.99Å; L132-A136 WeakPolarHBondContact O-CB 3.4Å; L132-A136 PolarHBondContact O-N 3.43Å; L132-L146 HydrophobicContact CB-CB 4.25Å; L132-L146 HydrophobicContact CD2-CB 4.21Å; L132-L146 WeakPolarHBondContact O-CD1 3.27Å; L132-N147 HydrophobicContact CD1-CB 4.04Å |
| 133 | A | 92.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 38.5 Ų | 38.5 | 40% | 0.397 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.8 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | G129 E130 I131 A136 D137 | G129-A133 VanDerWaalsContact O-CB 3.31Å; G129-A133 WeakPolarHBondContact O-CB 3.37Å; G129-A133 PolarHBondContact O-N 3.39Å; E130-A133 PolarHBondContact O-N 3.22Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 3.07Å; A133-A136 PolarHBondContact O-N 3.1Å; A133-D137 PolarHBondContact O-N 3.06Å |
| 134 | A | 94.5 | Very high | 91.9 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -49.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W110 E130 I131 A136 D137 W138 | W110-A134 HydrophobicContact CH2-CB 3.69Å; W110-A134 HydrophobicContact CZ2-CB 4.14Å; E130-A134 WeakPolarHBondContact O-CB 3.38Å; E130-A134 PolarHBondContact O-N 2.75Å; I131-A134 PolarHBondContact O-N 3.35Å; A134-A136 VanDerWaalsContact C-N 3.31Å; A134-A136 PolarHBondContact O-N 3.23Å; A134-D137 PolarHBondContact O-N 2.92Å; A134-W138 HydrophobicContact CB-CD2 4.48Å; A134-W138 HydrophobicContact CB-CH2 4.2Å; A134-W138 HydrophobicContact CB-CZ2 3.78Å; A134-W138 WeakPolarHBondContact O-CB 3.19Å; A134-W138 VanDerWaalsContact O-CD2 3.25Å; A134-W138 PolarHBondContact O-N 3.05Å |
| 135 | L | 94.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 175 | -72.3 | 170.5 | 0 | 0 | 0 | 111.6 | M103 L107 I131 D137 W138 F139 L146 | M103-L135 HydrophobicContact CE-CD2 4.35Å; M103-L135 HydrophobicContact SD-CD2 3.88Å; L107-L135 HydrophobicContact CD2-CD2 4.32Å; L107-L135 HydrophobicContact CD2-CG 4.48Å; I131-L135 HydrophobicContact CG2-CD1 3.97Å; I131-L135 HydrophobicContact CG2-CG 4.39Å; I131-L135 WeakPolarHBondContact O-CB 3.41Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.25Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 3.42Å; L135-W138 HydrophobicContact CD2-CE3 3.98Å; L135-W138 HydrophobicContact CD2-CZ3 4.04Å; L135-W138 PolarHBondContact O-N 2.95Å; L135-F139 HydrophobicContact CD2-CD2 4.46Å; L135-F139 HydrophobicContact CD2-CE2 4.1Å; L135-F139 VanDerWaalsContact O-CD2 3.3Å; L135-F139 WeakPolarHBondContact O-CD2 3.32Å; L135-F139 PolarHBondContact O-N 2.85Å; L135-F139 VanDerWaalsContact O-N 3.1Å; L135-L146 HydrophobicContact CB-CD1 3.62Å |
| 136 | A | 94 | Very high | 92.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L132 A133 A134 Y140 L141 P143 L146 | L132-A136 WeakPolarHBondContact O-CB 3.4Å; L132-A136 PolarHBondContact O-N 3.43Å; A133-A136 PolarHBondContact O-N 3.1Å; A134-A136 VanDerWaalsContact C-N 3.31Å; A134-A136 PolarHBondContact O-N 3.23Å; A136-Y140 CarbonylContact O-C 3.56Å; A136-Y140 WeakPolarHBondContact O-CA 3.39Å; A136-Y140 PolarHBondContact O-N 3.45Å; A136-L141 PolarHBondContact O-N 3.1Å; A136-P143 HydrophobicContact CB-CB 4.19Å; A136-P143 HydrophobicContact CB-CG 3.71Å; A136-L146 HydrophobicContact CB-CD1 3.92Å |
| 137 | D | 93.7 | Very high | 92.1 | Very high | 86 Ų | 86 | 32.9 Ų | 32.9 | 46% | 0.46 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 179 | -177.1 | 74.5 | 0 | 0 | 0 | 112.4 | A133 A134 L135 F139 Y140 | A133-D137 PolarHBondContact O-N 3.06Å; A134-D137 PolarHBondContact O-N 2.92Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 3.42Å; D137-F139 VanDerWaalsContact C-N 3.31Å; D137-F139 PolarHBondContact O-N 2.89Å; D137-Y140 PolarHBondContact O-N 2.95Å |
| 138 | W | 95 | Very high | 91.8 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 10% | 0.102 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | -177.5 | -59.7 | -13.3 | 0 | 0 | 0 | 112.3 | L106 L107 W110 A134 L135 I206 I211 P213 | L106-W138 HydrophobicContact CB-CH2 4.44Å; L106-W138 HydrophobicContact CB-CZ3 3.85Å; L106-W138 WeakPolarHBondContact O-CH2 3.28Å; L107-W138 HydrophobicContact CD2-CZ3 4.22Å; W110-W138 AromaticContact CH2-CH2 3.96Å; W110-W138 HydrophobicContact CH2-CH2 3.96Å; W110-W138 HydrophobicContact CH2-CZ2 4.01Å; W110-W138 AromaticContact CZ3-CH2 3.71Å; W110-W138 HydrophobicContact CZ3-CH2 3.71Å; W110-W138 HydrophobicContact CZ3-CZ2 4.19Å; A134-W138 HydrophobicContact CB-CD2 4.48Å; A134-W138 HydrophobicContact CB-CH2 4.2Å; A134-W138 HydrophobicContact CB-CZ2 3.78Å; A134-W138 WeakPolarHBondContact O-CB 3.19Å; A134-W138 VanDerWaalsContact O-CD2 3.25Å; A134-W138 PolarHBondContact O-N 3.05Å; L135-W138 HydrophobicContact CD2-CE3 3.98Å; L135-W138 HydrophobicContact CD2-CZ3 4.04Å; L135-W138 PolarHBondContact O-N 2.95Å; W138-I206 HydrophobicContact CB-CD1 3.66Å; W138-I206 VanDerWaalsContact CD1-CD1 3.48Å; W138-I206 HydrophobicContact CD2-CD1 3.81Å; W138-I206 HydrophobicContact CD2-CG2 4.02Å; W138-I206 HydrophobicContact CE3-CG2 4.5Å; W138-I206 HydrophobicContact CG-CD1 3.34Å; W138-I206 HydrophobicContact CH2-CG2 4.1Å; W138-I206 HydrophobicContact CZ2-CG2 3.6Å; W138-I211 HydrophobicContact CB-CD1 4.12Å; W138-P213 WeakPolarHBondContact O-CB 3.34Å; W138-P213 VanDerWaalsContact O-CG 3.31Å; W138-P213 WeakPolarHBondContact O-CG 3.49Å |
| 139 | F | 94.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -101.1 | 4.4 | -176.5 | -66.7 | -76.6 | 0 | 0 | 0 | 114.9 | I92 H96 I98 L106 L135 D137 L141 I211 P213 | I92-F139 HydrophobicContact CG2-CD1 4.06Å; I92-F139 HydrophobicContact CG2-CD2 3.92Å; I92-F139 HydrophobicContact CG2-CE1 4.09Å; I92-F139 HydrophobicContact CG2-CE2 3.95Å; I92-F139 HydrophobicContact CG2-CG 4Å; I92-F139 HydrophobicContact CG2-CZ 4.05Å; H96-F139 HydrophobicContact CB-CE1 4.19Å; H96-F139 AromaticContact CD2-CD1 3.7Å; H96-F139 AromaticContact CE1-CD1 3.84Å; H96-F139 AromaticContact CG-CD1 3.89Å; H96-F139 AromaticContact CG-CE1 3.86Å; H96-F139 AromaticContact ND1-CD1 3.98Å; H96-F139 AromaticContact NE2-CD1 3.68Å; I98-F139 HydrophobicContact CD1-CE1 3.45Å; I98-F139 VanDerWaalsContact CD1-CE1 3.45Å; I98-F139 HydrophobicContact CD1-CZ 3.3Å; L106-F139 HydrophobicContact CD1-CZ 4.34Å; L135-F139 HydrophobicContact CD2-CD2 4.46Å; L135-F139 HydrophobicContact CD2-CE2 4.1Å; L135-F139 VanDerWaalsContact O-CD2 3.3Å; L135-F139 WeakPolarHBondContact O-CD2 3.32Å; L135-F139 PolarHBondContact O-N 2.85Å; L135-F139 VanDerWaalsContact O-N 3.1Å; D137-F139 VanDerWaalsContact C-N 3.31Å; D137-F139 PolarHBondContact O-N 2.89Å; F139-L141 HydrophobicContact CB-CD1 3.65Å; F139-L141 HydrophobicContact CB-CG 3.75Å; F139-I211 HydrophobicContact CE1-CD1 4.04Å; F139-I211 HydrophobicContact CE2-CD1 4.44Å; F139-I211 HydrophobicContact CZ-CD1 3.9Å; F139-P213 HydrophobicContact CD1-CB 4.18Å |
| 140 | Y | 93.7 | Very high | 91.2 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 43.5 | -178.1 | -53.4 | -65.6 | 0 | 0 | 0 | 114.2 | A136 D137 Q202 K204 P213 L215 | A136-Y140 CarbonylContact O-C 3.56Å; A136-Y140 WeakPolarHBondContact O-CA 3.39Å; A136-Y140 PolarHBondContact O-N 3.45Å; D137-Y140 PolarHBondContact O-N 2.95Å; Y140-Q202 PolarHBondContact OH-OE1 2.69Å; Y140-K204 VanDerWaalsContact CZ-CE 3.49Å; Y140-K204 WeakPolarHBondContact OH-CE 3.32Å; Y140-K204 PolarHBondContact OH-NZ 3.4Å; Y140-P213 HydrophobicContact CD2-CB 4.07Å; Y140-P213 HydrophobicContact CE2-CB 4.1Å; Y140-P213 HydrophobicContact CE2-CG 4.14Å; Y140-L215 HydrophobicContact CD1-CD1 3.88Å; Y140-L215 HydrophobicContact CD2-CB 3.82Å; Y140-L215 HydrophobicContact CD2-CD1 4.33Å; Y140-L215 HydrophobicContact CE1-CD1 4.04Å; Y140-L215 HydrophobicContact CE2-CB 3.57Å; Y140-L215 HydrophobicContact CE2-CD1 4.46Å; Y140-L215 HydrophobicContact CG-CB 4.36Å; Y140-L215 HydrophobicContact CG-CD1 4Å |
| 141 | L | 93.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -109.8 | 168.7 | -175.8 | -52.1 | 175.5 | 0 | 0 | 0 | 111.9 | I92 A136 F139 P143 W145 P153 L261 | I92-L141 HydrophobicContact CD1-CD1 3.52Å; I92-L141 HydrophobicContact CG1-CD1 3.71Å; A136-L141 PolarHBondContact O-N 3.1Å; F139-L141 HydrophobicContact CB-CD1 3.65Å; F139-L141 HydrophobicContact CB-CG 3.75Å; L141-P143 WeakPolarHBondContact O-CD 3.4Å; L141-W145 HydrophobicContact CD1-CE3 4.34Å; L141-W145 HydrophobicContact CD1-CZ3 3.88Å; L141-P153 CarbonylContact C-O 3.53Å; L141-P153 WeakPolarHBondContact CA-O 3.4Å; L141-P153 HydrophobicContact CD2-CB 4.28Å; L141-L261 HydrophobicContact CD1-CD2 4.49Å; L141-L261 HydrophobicContact CD2-CD2 3.39Å | ||
| 142 | S | 90.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | trans | -76.3 | 122.5 | 169.3 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | E144 W145 L146 P153 Y155 | S142-E144 PolarHBondContact O-N 3.44Å; S142-E144 PolarHBondContact OG-N 3.43Å; S142-W145 WeakPolarHBondContact O-CA 3.35Å; S142-W145 WeakPolarHBondContact O-CB 3.29Å; S142-W145 PolarHBondContact O-N 2.92Å; S142-W145 PolarHBondContact OG-N 3.49Å; S142-L146 PolarHBondContact O-N 3.31Å; S142-P153 WeakPolarHBondContact CB-O 3.18Å; S142-P153 PolarHBondContact N-O 2.84Å; S142-Y155 WeakPolarHBondContact OG-CB 3.21Å | ||
| 143 | P | 89.8 | Confident | 90.1 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.9 | -33.6 | 169 | -21.9 | 32.2 | 0 | 0 | 0 | 112.1 | A136 L141 W145 L146 N147 | A136-P143 HydrophobicContact CB-CB 4.19Å; A136-P143 HydrophobicContact CB-CG 3.71Å; L141-P143 WeakPolarHBondContact O-CD 3.4Å; P143-W145 VanDerWaalsContact C-N 3.25Å; P143-W145 PolarHBondContact O-N 3.38Å; P143-L146 PolarHBondContact O-N 2.9Å; P143-N147 PolarHBondContact O-N 3.06Å |
| 144 | E | 88.8 | Confident | 89.6 | Confident | 70 Ų | 70 | 41.5 Ų | 41.5 | 33% | 0.327 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -71.8 | -21.6 | 176.6 | -54.5 | -54.8 | 139 | 0 | 0 | 112.7 | S142 N147 R149 V150 | S142-E144 PolarHBondContact O-N 3.44Å; S142-E144 PolarHBondContact OG-N 3.43Å; E144-N147 VanDerWaalsContact C-OD1 3.27Å; E144-N147 VanDerWaalsContact CA-OD1 3.25Å; E144-N147 WeakPolarHBondContact CA-OD1 3.27Å; E144-N147 PolarHBondContact O-OD1 3.32Å; E144-N147 PolarHBondContact OE2-ND2 3.44Å; E144-R149 HydrophobicContact CB-CB 4.43Å; E144-R149 PolarHBondContact O-N 3.38Å; E144-R149 VanDerWaalsContact OE2-CD 3.24Å; E144-R149 WeakPolarHBondContact OE2-CD 3.35Å; E144-R149 IonicContact OE2-CZ 3.76Å; E144-R149 IonicContact OE2-NE 3.9Å; E144-R149 IonicContact OE2-NH1 3.06Å; E144-R149 PolarHBondContact OE2-NH1 3.02Å; E144-V150 HydrophobicContact CB-CG1 3.96Å; E144-V150 HydrophobicContact CB-CG2 4.04Å; E144-V150 PolarHBondContact O-N 2.89Å |
| 145 | W | 91.1 | Very high | 88.1 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.2 | -44.6 | 168 | 178.9 | 81.6 | 0 | 0 | 0 | 109.3 | R88 I92 L141 S142 P143 N147 G148 V150 H151 Y152 P153 | R88-W145 HydrophobicContact CB-CH2 3.76Å; R88-W145 HydrophobicContact CB-CZ2 4.04Å; R88-W145 HydrophobicContact CB-CZ3 4.02Å; R88-W145 WeakPolarHBondContact CD-O 3.47Å; R88-W145 HydrophobicContact CG-CD2 4.34Å; R88-W145 HydrophobicContact CG-CH2 3.9Å; R88-W145 HydrophobicContact CG-CZ2 3.62Å; R88-W145 HydrophobicContact CG-CZ3 4.37Å; R88-W145 VanDerWaalsContact CZ-O 3.27Å; R88-W145 PolarHBondContact NE-O 3.36Å; R88-W145 PolarHBondContact NH1-O 3.1Å; I92-W145 HydrophobicContact CD1-CZ3 3.96Å; I92-W145 HydrophobicContact CG1-CH2 4.23Å; I92-W145 HydrophobicContact CG1-CZ3 4.03Å; L141-W145 HydrophobicContact CD1-CE3 4.34Å; L141-W145 HydrophobicContact CD1-CZ3 3.88Å; S142-W145 WeakPolarHBondContact O-CA 3.35Å; S142-W145 WeakPolarHBondContact O-CB 3.29Å; S142-W145 PolarHBondContact O-N 2.92Å; S142-W145 PolarHBondContact OG-N 3.49Å; P143-W145 VanDerWaalsContact C-N 3.25Å; P143-W145 PolarHBondContact O-N 3.38Å; W145-N147 VanDerWaalsContact C-N 3.27Å; W145-N147 PolarHBondContact O-N 3.48Å; W145-G148 PolarHBondContact O-N 3.36Å; W145-V150 HydrophobicContact CB-CG2 3.86Å; W145-H151 PolarHBondContact NE1-O 3.45Å; W145-Y152 WeakPolarHBondContact CB-O 3.3Å; W145-P153 HydrophobicContact CD2-CB 3.77Å; W145-P153 HydrophobicContact CE3-CB 4.11Å; W145-P153 VanDerWaalsContact CG-CA 3.42Å; W145-P153 HydrophobicContact CG-CB 4.16Å; W145-P153 HydrophobicContact CH2-CB 4.41Å; W145-P153 HydrophobicContact CZ2-CB 4.08Å; W145-P153 HydrophobicContact CZ3-CB 4.42Å |
| 146 | L | 90.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -41.1 | 177 | -82.7 | 178.5 | 0 | 0 | 0 | 112.7 | L85 R88 I92 L132 L135 A136 S142 P143 G148 | L85-L146 WeakPolarHBondContact CD2-O 3.38Å; R88-L146 HydrophobicContact CB-CD2 4.35Å; I92-L146 HydrophobicContact CD1-CD2 3.54Å; I92-L146 HydrophobicContact CD1-CG 4.48Å; L132-L146 HydrophobicContact CB-CB 4.25Å; L132-L146 HydrophobicContact CD2-CB 4.21Å; L132-L146 WeakPolarHBondContact O-CD1 3.27Å; L135-L146 HydrophobicContact CB-CD1 3.62Å; A136-L146 HydrophobicContact CB-CD1 3.92Å; S142-L146 PolarHBondContact O-N 3.31Å; P143-L146 PolarHBondContact O-N 2.9Å; L146-G148 VanDerWaalsContact C-N 3.29Å; L146-G148 PolarHBondContact O-N 2.75Å |
| 147 | N | 86.6 | Confident | 85.5 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 2.5 | -177.9 | 76.4 | 14.7 | 0 | 0 | 0 | 116.1 | L132 P143 E144 W145 R149 | L132-N147 HydrophobicContact CD1-CB 4.04Å; P143-N147 PolarHBondContact O-N 3.06Å; E144-N147 VanDerWaalsContact C-OD1 3.27Å; E144-N147 VanDerWaalsContact CA-OD1 3.25Å; E144-N147 WeakPolarHBondContact CA-OD1 3.27Å; E144-N147 PolarHBondContact O-OD1 3.32Å; E144-N147 PolarHBondContact OE2-ND2 3.44Å; W145-N147 VanDerWaalsContact C-N 3.27Å; W145-N147 PolarHBondContact O-N 3.48Å; N147-R149 VanDerWaalsContact OD1-CB 3.27Å; N147-R149 WeakPolarHBondContact OD1-CB 3.37Å; N147-R149 VanDerWaalsContact OD1-CG 3.23Å; N147-R149 WeakPolarHBondContact OD1-CG 3.36Å; N147-R149 PolarHBondContact OD1-N 2.72Å |
| 148 | G | 83.4 | Confident | 84.7 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -11.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R84 W145 L146 | R84-G148 PolarHBondContact NH1-O 2.9Å; W145-G148 PolarHBondContact O-N 3.36Å; L146-G148 VanDerWaalsContact C-N 3.29Å; L146-G148 PolarHBondContact O-N 2.75Å |
| 149 | R | 83 | Confident | 84.2 | Confident | 190 Ų | 190 | 59.7 Ų | 59.7 | 72% | 0.717 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -78 | -33.6 | -169.6 | -69.9 | -168.8 | -163 | 163 | -13.1 | 115.2 | E144 N147 | E144-R149 HydrophobicContact CB-CB 4.43Å; E144-R149 PolarHBondContact O-N 3.38Å; E144-R149 VanDerWaalsContact OE2-CD 3.24Å; E144-R149 WeakPolarHBondContact OE2-CD 3.35Å; E144-R149 IonicContact OE2-CZ 3.76Å; E144-R149 IonicContact OE2-NE 3.9Å; E144-R149 IonicContact OE2-NH1 3.06Å; E144-R149 PolarHBondContact OE2-NH1 3.02Å; N147-R149 VanDerWaalsContact OD1-CB 3.27Å; N147-R149 WeakPolarHBondContact OD1-CB 3.37Å; N147-R149 VanDerWaalsContact OD1-CG 3.23Å; N147-R149 WeakPolarHBondContact OD1-CG 3.36Å; N147-R149 PolarHBondContact OD1-N 2.72Å |
| 150 | V | 85.5 | Confident | 84 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 35% | 0.352 | 28% | 0.284 | S | S | . | . | trans | -113.4 | 159.2 | 173.3 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | R88 E144 W145 | R88-V150 VanDerWaalsContact CZ-O 3.29Å; R88-V150 PolarHBondContact NH1-O 3.42Å; R88-V150 PolarHBondContact NH2-O 3.44Å; E144-V150 HydrophobicContact CB-CG1 3.96Å; E144-V150 HydrophobicContact CB-CG2 4.04Å; E144-V150 PolarHBondContact O-N 2.89Å; W145-V150 HydrophobicContact CB-CG2 3.86Å | ||
| 151 | H | 82.6 | Confident | 84 | Confident | 116 Ų | 116 | 60 Ų | 60 | 54% | 0.537 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -86.1 | -26.4 | -178.4 | -72.8 | -83.9 | 0 | 0 | 0 | 113.6 | W145 | W145-H151 PolarHBondContact NE1-O 3.45Š|
| 152 | Y | 87.9 | Confident | 83.9 | Confident | 120 Ų | 120 | 64 Ų | 64 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | trans | -107.2 | 133.8 | -169.6 | -56.6 | -44.1 | 0 | 0 | 0 | 112.6 | W145 L154 G258 K259 | W145-Y152 WeakPolarHBondContact CB-O 3.3Å; Y152-L154 PolarHBondContact O-N 3.42Å; Y152-G258 WeakPolarHBondContact CB-O 3.37Å; Y152-K259 HydrophobicContact CD1-CB 4.15Å; Y152-K259 HydrophobicContact CD1-CG 3.69Å; Y152-K259 HydrophobicContact CE1-CB 4.32Å; Y152-K259 HydrophobicContact CE1-CD 4.34Å; Y152-K259 HydrophobicContact CE1-CG 3.52Å; Y152-K259 HydrophobicContact CG-CG 4.28Å | ||
| 153 | P | 87.1 | Confident | 84.1 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -67.1 | -29.1 | -171.6 | 22 | -35 | 0 | 0 | 0 | 116.2 | L141 S142 W145 G258 L261 | L141-P153 CarbonylContact C-O 3.53Å; L141-P153 WeakPolarHBondContact CA-O 3.4Å; L141-P153 HydrophobicContact CD2-CB 4.28Å; S142-P153 WeakPolarHBondContact CB-O 3.18Å; S142-P153 PolarHBondContact N-O 2.84Å; W145-P153 HydrophobicContact CD2-CB 3.77Å; W145-P153 HydrophobicContact CE3-CB 4.11Å; W145-P153 VanDerWaalsContact CG-CA 3.42Å; W145-P153 HydrophobicContact CG-CB 4.16Å; W145-P153 HydrophobicContact CH2-CB 4.41Å; W145-P153 HydrophobicContact CZ2-CB 4.08Å; W145-P153 HydrophobicContact CZ3-CB 4.42Å; P153-G258 WeakPolarHBondContact CD-O 3.48Å; P153-G258 VanDerWaalsContact CG-O 3.32Å; P153-G258 WeakPolarHBondContact CG-O 3.31Å; P153-L261 HydrophobicContact CB-CD2 3.55Å; P153-L261 HydrophobicContact CB-CG 4.47Å; P153-L261 HydrophobicContact CG-CD2 3.95Å; P153-L261 HydrophobicContact CG-CG 4.41Å |
| 154 | L | 82 | Confident | 84.3 | Confident | 34 Ų | 34 | 67.8 Ų | 67.8 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | trans | -94.8 | 129.6 | -170.2 | -67.4 | 173.3 | 0 | 0 | 0 | 112.4 | Y152 L255 P262 | Y152-L154 PolarHBondContact O-N 3.42Å; L154-L255 HydrophobicContact CD1-CD1 4.46Å; L154-P262 HydrophobicContact CD1-CG 3.76Å; L154-P262 HydrophobicContact CD2-CG 3.92Å; L154-P262 HydrophobicContact CG-CG 4.39Å | ||
| 155 | Y | 62.9 | Low | 84.5 | Confident | 162 Ų | 162 | 70 Ų | 70 | 64% | 0.635 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -134 | -19.3 | 171.8 | 180 | -106.8 | 0 | 0 | 0 | 113.4 | S142 P157 | S142-Y155 WeakPolarHBondContact OG-CB 3.21Å; Y155-P157 VanDerWaalsContact C-CD 3.41Å; Y155-P157 WeakPolarHBondContact O-CD 3.39Å |
| 156 | R | 62.8 | Low | 84.6 | Confident | 151 Ų | 151 | 72.8 Ų | 72.8 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | trans | -125 | 66.1 | -179.7 | -66.6 | -170.7 | -179.6 | 177.9 | 0.9 | 112.4 | ||||
| 157 | P | 71.2 | Confident | 84.8 | Confident | 43 Ų | 43 | 72.7 Ų | 72.7 | 28% | 0.279 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 141.3 | 159.9 | 29.3 | -34.7 | 0 | 0 | 0 | 109.1 | Y155 S216 Y218 | Y155-P157 VanDerWaalsContact C-CD 3.41Å; Y155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-S216 CarbonylContact C-O 3.53Å; P157-S216 WeakPolarHBondContact CA-O 3.4Å; P157-S216 WeakPolarHBondContact CB-O 3.45Å; P157-Y218 HydrophobicContact CB-CD2 4.15Å; P157-Y218 HydrophobicContact CG-CD2 3.44Å; P157-Y218 VanDerWaalsContact CG-CD2 3.44Å; P157-Y218 HydrophobicContact CG-CE2 4.24Å; P157-Y218 HydrophobicContact CG-CG 4.27Å |
| 158 | G | 76 | Confident | 85.1 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 145.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | S216 L217 Y218 | G158-S216 PolarHBondContact N-O 3.04Å; G158-L217 CarbonylContact O-C 3.56Å; G158-L217 VanDerWaalsContact O-CA 3.28Å; G158-L217 WeakPolarHBondContact O-CA 3.48Å; G158-Y218 PolarHBondContact O-N 2.98Å |
| 159 | D | 85.3 | Confident | 85.5 | Confident | 140 Ų | 140 | 80.9 Ų | 80.9 | 75% | 0.749 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 147.4 | 179.5 | -66.6 | -46.7 | 0 | 0 | 0 | 111.5 | ||
| 160 | W | 90.8 | Very high | 86 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 17% | 0.174 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -62 | 131 | 169 | -171.2 | -89.4 | 0 | 0 | 0 | 108.8 | A162 V198 A220 K226 W229 F230 | W160-A162 PolarHBondContact O-N 3.27Å; W160-V198 HydrophobicContact CH2-CG2 4.42Å; W160-V198 HydrophobicContact CZ3-CG2 4.3Å; W160-A220 HydrophobicContact CD2-CB 3.86Å; W160-A220 HydrophobicContact CE3-CB 3.9Å; W160-A220 HydrophobicContact CG-CB 4.23Å; W160-A220 HydrophobicContact CZ3-CB 4.34Å; W160-K226 HydrophobicContact CH2-CD 4.27Å; W160-K226 HydrophobicContact CH2-CG 4.47Å; W160-K226 HydrophobicContact CZ2-CB 4.05Å; W160-K226 HydrophobicContact CZ2-CD 3.6Å; W160-K226 HydrophobicContact CZ2-CG 3.54Å; W160-W229 HydrophobicContact CZ2-CE3 4.22Å; W160-W229 HydrophobicContact CZ2-CZ3 4.41Å; W160-W229 AromaticContact NE1-CE3 3.95Å; W160-W229 AromaticContact NE1-CZ3 3.29Å; W160-W229 VanDerWaalsContact NE1-CZ3 3.29Å; W160-F230 AromaticContact CH2-CE1 3.68Å; W160-F230 HydrophobicContact CH2-CE1 3.68Å; W160-F230 AromaticContact CH2-CZ 3.84Å; W160-F230 HydrophobicContact CH2-CZ 3.84Å; W160-F230 HydrophobicContact CZ2-CE1 4.37Å |
| 161 | P | 92.9 | Very high | 86.4 | Confident | 7 Ų | 7 | 71.4 Ų | 71.4 | 5% | 0.045 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 136.2 | -175.7 | -28.2 | 40.5 | 0 | 0 | 0 | 112 | T163 I166 F167 I170 L217 W229 | P161-T163 VanDerWaalsContact C-N 3.3Å; P161-T163 PolarHBondContact O-N 3.43Å; P161-I166 HydrophobicContact CB-CB 4.18Å; P161-I166 HydrophobicContact CB-CG2 3.96Å; P161-F167 HydrophobicContact CB-CB 3.88Å; P161-F167 HydrophobicContact CB-CD2 4.49Å; P161-F167 HydrophobicContact CG-CB 4.07Å; P161-F167 HydrophobicContact CG-CD2 3.91Å; P161-F167 HydrophobicContact CG-CG 4.49Å; P161-I170 HydrophobicContact CB-CD1 4.28Å; P161-I170 HydrophobicContact CG-CD1 3.6Å; P161-L217 HydrophobicContact CG-CD1 4.27Å; P161-W229 HydrophobicContact CB-CZ3 4.26Å; P161-W229 VanDerWaalsContact O-CH2 3.3Å; P161-W229 WeakPolarHBondContact O-CH2 3.39Å; P161-W229 WeakPolarHBondContact O-CZ3 3.04Å |
| 162 | A | 92.4 | Very high | 86.9 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 72% | 0.719 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -71.3 | -25.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | W160 I166 | W160-A162 PolarHBondContact O-N 3.27Å; A162-I166 HydrophobicContact CB-CD1 4.41Å |
| 163 | T | 93.9 | Very high | 87.1 | Confident | 52 Ų | 52 | 63.9 Ų | 63.9 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -139 | 160.3 | 179.2 | 84.3 | 0 | 0 | 0 | 0 | 111.6 | P161 E165 I166 F167 | P161-T163 VanDerWaalsContact C-N 3.3Å; P161-T163 PolarHBondContact O-N 3.43Å; T163-E165 VanDerWaalsContact C-N 3.29Å; T163-E165 VanDerWaalsContact CB-OE2 3.24Å; T163-E165 WeakPolarHBondContact CB-OE2 3.4Å; T163-E165 PolarHBondContact O-N 3.19Å; T163-E165 PolarHBondContact OG1-N 3.01Å; T163-E165 PolarHBondContact OG1-OE2 3.34Å; T163-I166 HydrophobicContact CG2-CD1 4.34Å; T163-I166 PolarHBondContact O-N 3.31Å; T163-I166 PolarHBondContact OG1-N 3.29Å; T163-F167 PolarHBondContact O-N 3Å |
| 164 | Q | 93 | Very high | 87.4 | Confident | 67 Ų | 67 | 75 Ų | 75 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 175.9 | -167.6 | -174.3 | -79 | 0 | 0 | 112.3 | I166 F167 C168 W229 M232 | Q164-I166 PolarHBondContact O-N 2.74Å; Q164-F167 WeakPolarHBondContact O-CB 3.39Å; Q164-F167 PolarHBondContact O-N 3.32Å; Q164-C168 WeakPolarHBondContact O-CB 3.23Å; Q164-C168 PolarHBondContact O-N 3.13Å; Q164-C168 PolarHBondContact O-SG 2.93Å; Q164-W229 HydrophobicContact CB-CD2 4.41Å; Q164-W229 HydrophobicContact CB-CZ2 4.22Å; Q164-W229 HydrophobicContact CG-CD2 4.48Å; Q164-W229 HydrophobicContact CG-CG 4.12Å; Q164-M232 HydrophobicContact CG-CE 4.19Å; Q164-M232 HydrophobicContact CG-SD 4.02Å; Q164-M232 PolarHBondContact NE2-SD 3.22Å; Q164-M232 VanDerWaalsContact NE2-SD 3.43Å |
| 165 | E | 92.9 | Very high | 88 | Confident | 117 Ų | 117 | 78.3 Ų | 78.3 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 178.3 | -59.8 | 75.2 | -162.1 | 0 | 0 | 111.4 | T163 C168 R169 | T163-E165 VanDerWaalsContact C-N 3.29Å; T163-E165 VanDerWaalsContact CB-OE2 3.24Å; T163-E165 WeakPolarHBondContact CB-OE2 3.4Å; T163-E165 PolarHBondContact O-N 3.19Å; T163-E165 PolarHBondContact OG1-N 3.01Å; T163-E165 PolarHBondContact OG1-OE2 3.34Å; E165-C168 PolarHBondContact O-N 3.38Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.37Å |
| 166 | I | 94.5 | Very high | 89.5 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 176.1 | -61.2 | 171.4 | 0 | 0 | 0 | 109.4 | P161 A162 T163 Q164 C168 R169 I170 | P161-I166 HydrophobicContact CB-CB 4.18Å; P161-I166 HydrophobicContact CB-CG2 3.96Å; A162-I166 HydrophobicContact CB-CD1 4.41Å; T163-I166 HydrophobicContact CG2-CD1 4.34Å; T163-I166 PolarHBondContact O-N 3.31Å; T163-I166 PolarHBondContact OG1-N 3.29Å; Q164-I166 PolarHBondContact O-N 2.74Å; I166-C168 PolarHBondContact O-N 3.16Å; I166-R169 PolarHBondContact O-N 3.02Å; I166-I170 HydrophobicContact CG2-CD1 3.87Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 3.33Å |
| 167 | F | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.9 | -49.5 | 174.6 | -178.2 | -95.8 | 0 | 0 | 0 | 111.4 | P161 T163 Q164 R169 I170 I171 L181 V198 W229 F230 A233 | P161-F167 HydrophobicContact CB-CB 3.88Å; P161-F167 HydrophobicContact CB-CD2 4.49Å; P161-F167 HydrophobicContact CG-CB 4.07Å; P161-F167 HydrophobicContact CG-CD2 3.91Å; P161-F167 HydrophobicContact CG-CG 4.49Å; T163-F167 PolarHBondContact O-N 3Å; Q164-F167 WeakPolarHBondContact O-CB 3.39Å; Q164-F167 PolarHBondContact O-N 3.32Å; F167-R169 VanDerWaalsContact C-N 3.34Å; F167-R169 PolarHBondContact O-N 3.27Å; F167-I170 PolarHBondContact O-N 3.36Å; F167-I170 VanDerWaalsContact O-N 3.14Å; F167-I171 HydrophobicContact CD1-CG1 4.05Å; F167-I171 HydrophobicContact CE1-CD1 4.33Å; F167-I171 HydrophobicContact CE1-CG1 3.73Å; F167-I171 HydrophobicContact CE2-CD1 4.36Å; F167-I171 HydrophobicContact CE2-CG1 4.37Å; F167-I171 HydrophobicContact CG-CG1 4.5Å; F167-I171 HydrophobicContact CZ-CD1 3.97Å; F167-I171 HydrophobicContact CZ-CG1 3.88Å; F167-I171 WeakPolarHBondContact O-CG1 3.31Å; F167-I171 PolarHBondContact O-N 3.46Å; F167-L181 HydrophobicContact CZ-CD2 4.46Å; F167-V198 HydrophobicContact CE2-CG2 3.82Å; F167-V198 HydrophobicContact CZ-CG2 4.27Å; F167-W229 HydrophobicContact CB-CD2 4.39Å; F167-W229 HydrophobicContact CB-CE3 3.76Å; F167-W229 HydrophobicContact CB-CZ3 4.04Å; F167-W229 HydrophobicContact CD1-CB 3.91Å; F167-W229 HydrophobicContact CD1-CE3 4.3Å; F167-W229 HydrophobicContact CD1-CG 4.47Å; F167-W229 AromaticContact CD2-CE3 3.75Å; F167-W229 HydrophobicContact CD2-CE3 3.75Å; F167-W229 HydrophobicContact CD2-CZ3 4.3Å; F167-W229 HydrophobicContact CE1-CB 3.84Å; F167-W229 WeakPolarHBondContact CE1-O 3.24Å; F167-W229 HydrophobicContact CE2-CE3 4.44Å; F167-W229 HydrophobicContact CG-CB 4.44Å; F167-W229 HydrophobicContact CG-CD2 4.35Å; F167-W229 AromaticContact CG-CE3 3.69Å; F167-W229 HydrophobicContact CG-CE3 3.69Å; F167-W229 HydrophobicContact CG-CZ3 4.35Å; F167-W229 HydrophobicContact CZ-CB 4.35Å; F167-F230 HydrophobicContact CE1-CD1 4.46Å; F167-F230 HydrophobicContact CE2-CD1 4.31Å; F167-F230 AromaticContact CE2-CE1 3.97Å; F167-F230 HydrophobicContact CE2-CE1 3.97Å; F167-F230 AromaticContact CZ-CD1 3.68Å; F167-F230 HydrophobicContact CZ-CD1 3.68Å; F167-F230 AromaticContact CZ-CE1 3.75Å; F167-F230 HydrophobicContact CZ-CE1 3.75Å; F167-A233 HydrophobicContact CE1-CB 3.78Å; F167-A233 HydrophobicContact CZ-CB 4.31Å |
| 168 | C | 92 | Very high | 92.1 | Very high | 20 Ų | 20 | 67 Ų | 67 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.6 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | Q164 E165 I166 I171 S172 M232 I236 | Q164-C168 WeakPolarHBondContact O-CB 3.23Å; Q164-C168 PolarHBondContact O-N 3.13Å; Q164-C168 PolarHBondContact O-SG 2.93Å; E165-C168 PolarHBondContact O-N 3.38Å; I166-C168 PolarHBondContact O-N 3.16Å; C168-I171 PolarHBondContact O-N 3.34Å; C168-S172 VanDerWaalsContact O-CB 3.27Å; C168-S172 WeakPolarHBondContact O-CB 3.41Å; C168-S172 PolarHBondContact O-N 2.95Å; C168-S172 PolarHBondContact O-OG 2.81Å; C168-M232 PolarHBondContact SG-SD 3.5Å; C168-I236 HydrophobicContact CB-CD1 3.95Å; C168-I236 WeakPolarHBondContact SG-CD1 3.37Å |
| 169 | R | 92.7 | Very high | 93.1 | Very high | 193 Ų | 193 | 66 Ų | 66 | 73% | 0.728 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | 174.4 | -76.9 | -178.9 | -168.5 | 175.8 | 5.2 | 111.9 | E165 I166 F167 S172 A173 | E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.37Å; I166-R169 PolarHBondContact O-N 3.02Å; F167-R169 VanDerWaalsContact C-N 3.34Å; F167-R169 PolarHBondContact O-N 3.27Å; R169-S172 PolarHBondContact O-N 3.05Å; R169-A173 PolarHBondContact O-N 2.99Å; R169-A173 VanDerWaalsContact O-N 3.14Å |
| 170 | I | 93.5 | Very high | 93.6 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 178.3 | -71.2 | 164.3 | 0 | 0 | 0 | 110.6 | P161 I166 F167 S172 A173 N176 L200 L217 | P161-I170 HydrophobicContact CB-CD1 4.28Å; P161-I170 HydrophobicContact CG-CD1 3.6Å; I166-I170 HydrophobicContact CG2-CD1 3.87Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 3.33Å; F167-I170 PolarHBondContact O-N 3.36Å; F167-I170 VanDerWaalsContact O-N 3.14Å; I170-S172 VanDerWaalsContact C-N 3.31Å; I170-S172 PolarHBondContact O-N 3.06Å; I170-A173 WeakPolarHBondContact O-CB 3.44Å; I170-A173 PolarHBondContact O-N 3.07Å; I170-N176 PolarHBondContact O-ND2 3.12Å; I170-L200 HydrophobicContact CG2-CD1 3.49Å; I170-L200 VanDerWaalsContact CG2-CD1 3.49Å; I170-L217 HydrophobicContact CG2-CD1 4.41Å |
| 171 | I | 93.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 178.4 | -64.7 | -62.1 | 0 | 0 | 0 | 111.5 | F167 C168 A173 N176 I179 L181 V198 L200 A233 | F167-I171 HydrophobicContact CD1-CG1 4.05Å; F167-I171 HydrophobicContact CE1-CD1 4.33Å; F167-I171 HydrophobicContact CE1-CG1 3.73Å; F167-I171 HydrophobicContact CE2-CD1 4.36Å; F167-I171 HydrophobicContact CE2-CG1 4.37Å; F167-I171 HydrophobicContact CG-CG1 4.5Å; F167-I171 HydrophobicContact CZ-CD1 3.97Å; F167-I171 HydrophobicContact CZ-CG1 3.88Å; F167-I171 WeakPolarHBondContact O-CG1 3.31Å; F167-I171 PolarHBondContact O-N 3.46Å; C168-I171 PolarHBondContact O-N 3.34Å; I171-A173 VanDerWaalsContact C-N 3.31Å; I171-A173 PolarHBondContact O-N 3.13Å; I171-N176 PolarHBondContact O-ND2 2.97Å; I171-I179 HydrophobicContact CD1-CD1 4.28Å; I171-I179 HydrophobicContact CD1-CG2 4.17Å; I171-I179 HydrophobicContact CG2-CD1 3.89Å; I171-I179 WeakPolarHBondContact O-CD1 3.35Å; I171-L181 HydrophobicContact CD1-CD2 4.28Å; I171-V198 HydrophobicContact CD1-CG1 3.93Å; I171-L200 HydrophobicContact CD1-CD2 4.13Å; I171-A233 HydrophobicContact CG1-CB 4.16Å; I171-A233 HydrophobicContact CG2-CB 4.01Å |
| 172 | S | 92.1 | Very high | 94.1 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 38% | 0.378 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 7.1 | -177 | -46 | 0 | 0 | 0 | 0 | 114 | C168 R169 I170 R174 I236 | C168-S172 VanDerWaalsContact O-CB 3.27Å; C168-S172 WeakPolarHBondContact O-CB 3.41Å; C168-S172 PolarHBondContact O-N 2.95Å; C168-S172 PolarHBondContact O-OG 2.81Å; R169-S172 PolarHBondContact O-N 3.05Å; I170-S172 VanDerWaalsContact C-N 3.31Å; I170-S172 PolarHBondContact O-N 3.06Å; S172-R174 PolarHBondContact O-N 3.23Å; S172-I236 VanDerWaalsContact OG-CG2 3.24Å; S172-I236 WeakPolarHBondContact OG-CG2 3.13Å |
| 173 | A | 93.4 | Very high | 94.3 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | trans | -60.2 | 135.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R169 I170 I171 E175 N176 | R169-A173 PolarHBondContact O-N 2.99Å; R169-A173 VanDerWaalsContact O-N 3.14Å; I170-A173 WeakPolarHBondContact O-CB 3.44Å; I170-A173 PolarHBondContact O-N 3.07Å; I171-A173 VanDerWaalsContact C-N 3.31Å; I171-A173 PolarHBondContact O-N 3.13Å; A173-E175 WeakPolarHBondContact CB-OE2 3.39Å; A173-E175 PolarHBondContact O-N 3.24Å; A173-E175 VanDerWaalsContact O-N 3.17Å; A173-N176 WeakPolarHBondContact O-CB 3.37Å; A173-N176 PolarHBondContact O-N 2.94Å | ||
| 174 | R | 92.8 | Very high | 94.4 | Very high | 239 Ų | 239 | 50.8 Ų | 50.8 | 90% | 0.902 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.8 | -173.6 | -68.1 | -177.4 | 176.3 | -174.3 | -1.1 | 112.8 | S172 N176 | S172-R174 PolarHBondContact O-N 3.23Å; R174-N176 VanDerWaalsContact C-N 3.3Å |
| 175 | E | 93.9 | Very high | 94.5 | Very high | 104 Ų | 104 | 52.8 Ų | 52.8 | 49% | 0.486 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -22 | 177.3 | -59.4 | 75.5 | -166.4 | 0 | 0 | 111.7 | A173 Q202 K203 | A173-E175 WeakPolarHBondContact CB-OE2 3.39Å; A173-E175 PolarHBondContact O-N 3.24Å; A173-E175 VanDerWaalsContact O-N 3.17Å; E175-Q202 HydrophobicContact CB-CB 4.5Å; E175-Q202 CarbonylContact O-C 3.44Å; E175-Q202 VanDerWaalsContact O-CA 3.22Å; E175-Q202 WeakPolarHBondContact O-CA 3.44Å; E175-K203 PolarHBondContact O-N 2.79Å |
| 176 | N | 95.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.1 | -178.2 | -63.1 | -22.7 | 0 | 0 | 0 | 111.1 | I170 I171 A173 R174 I179 Q202 I240 | I170-N176 PolarHBondContact O-ND2 3.12Å; I171-N176 PolarHBondContact O-ND2 2.97Å; A173-N176 WeakPolarHBondContact O-CB 3.37Å; A173-N176 PolarHBondContact O-N 2.94Å; R174-N176 VanDerWaalsContact C-N 3.3Å; N176-I179 HydrophobicContact CB-CD1 4.2Å; N176-I179 HydrophobicContact CB-CG1 4.38Å; N176-Q202 WeakPolarHBondContact OD1-CG 3.5Å; N176-Q202 PolarHBondContact OD1-NE2 3.23Å; N176-Q202 VanDerWaalsContact OD1-NE2 3.11Å; N176-I240 HydrophobicContact CB-CD1 4.13Å; N176-I240 HydrophobicContact CB-CG2 4.42Å |
| 177 | M | 94.8 | Very high | 94.3 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 43% | 0.429 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -31.1 | -178.4 | -64 | -65.3 | -53.8 | 0 | 0 | 113.1 | R201 K203 Y212 P241 | M177-R201 PolarHBondContact N-O 3.21Å; M177-K203 HydrophobicContact CG-CB 3.78Å; M177-K203 HydrophobicContact SD-CB 4.02Å; M177-K203 HydrophobicContact SD-CD 4.46Å; M177-Y212 HydrophobicContact CG-CD1 4.24Å; M177-Y212 HydrophobicContact CG-CE1 4.22Å; M177-P241 WeakPolarHBondContact O-CD 3.23Å |
| 178 | D | 94.7 | Very high | 93.8 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 136.3 | 177.5 | -176.2 | 8.5 | 0 | 0 | 0 | 108.1 | R201 R243 F266 | D178-R201 HydrophobicContact CB-CB 4.28Å; D178-R201 WeakPolarHBondContact O-CB 3.03Å; D178-R201 PolarHBondContact O-N 3.36Å; D178-R243 IonicContact OD1-NE 3.51Å; D178-R243 IonicContact OD1-NH2 3.65Å; D178-R243 IonicContact OD2-CZ 3.68Å; D178-R243 IonicContact OD2-NE 3.85Å; D178-R243 IonicContact OD2-NH2 2.79Å; D178-R243 PolarHBondContact OD2-NH2 3.15Å; D178-F266 HydrophobicContact CB-CD1 4.39Å; D178-F266 HydrophobicContact CB-CE1 3.92Å; D178-F266 VanDerWaalsContact OD2-CD1 3.26Å; D178-F266 WeakPolarHBondContact OD2-CD1 3.35Å; D178-F266 WeakPolarHBondContact OD2-CE1 3.3Å |
| 179 | I | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.3 | -174 | -58.8 | 179.1 | 0 | 0 | 0 | 109.4 | I171 N176 L181 V198 L199 L200 I240 P241 V242 R243 | I171-I179 HydrophobicContact CD1-CD1 4.28Å; I171-I179 HydrophobicContact CD1-CG2 4.17Å; I171-I179 HydrophobicContact CG2-CD1 3.89Å; I171-I179 WeakPolarHBondContact O-CD1 3.35Å; N176-I179 HydrophobicContact CB-CD1 4.2Å; N176-I179 HydrophobicContact CB-CG1 4.38Å; I179-L181 HydrophobicContact CG2-CD2 3.97Å; I179-L181 HydrophobicContact CG2-CG 4.39Å; I179-V198 HydrophobicContact CG2-CG1 4.15Å; I179-L199 WeakPolarHBondContact CA-O 3.49Å; I179-L200 HydrophobicContact CB-CD2 4.45Å; I179-L200 HydrophobicContact CD1-CD2 3.93Å; I179-L200 HydrophobicContact CG1-CD2 3.84Å; I179-L200 HydrophobicContact CG2-CD2 3.95Å; I179-I240 HydrophobicContact CD1-CG2 4.08Å; I179-I240 HydrophobicContact CG1-CG2 4.1Å; I179-P241 PolarHBondContact N-O 3.27Å; I179-V242 HydrophobicContact CB-CG1 4.49Å; I179-V242 HydrophobicContact CB-CG2 4.28Å; I179-V242 HydrophobicContact CD1-CG2 4.38Å; I179-V242 HydrophobicContact CG2-CG1 4.33Å; I179-V242 WeakPolarHBondContact O-CA 3.27Å; I179-R243 PolarHBondContact O-N 3.36Å |
| 180 | I | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 116.7 | 168.9 | -62.1 | 175.2 | 0 | 0 | 0 | 108.3 | W182 V198 L199 R243 V245 F266 L270 | I180-W182 HydrophobicContact CG2-CB 4.22Å; I180-V198 WeakPolarHBondContact O-CA 3.34Å; I180-L199 HydrophobicContact CB-CB 4.19Å; I180-L199 HydrophobicContact CB-CD1 4.43Å; I180-L199 PolarHBondContact N-O 3.3Å; I180-L199 PolarHBondContact O-N 2.94Å; I180-R243 WeakPolarHBondContact CA-O 3.5Å; I180-V245 HydrophobicContact CG2-CG2 3.43Å; I180-V245 VanDerWaalsContact CG2-CG2 3.43Å; I180-F266 HydrophobicContact CB-CZ 4.34Å; I180-F266 HydrophobicContact CD1-CD1 3.89Å; I180-F266 HydrophobicContact CD1-CD2 3.85Å; I180-F266 HydrophobicContact CD1-CE1 3.77Å; I180-F266 HydrophobicContact CD1-CE2 3.73Å; I180-F266 HydrophobicContact CD1-CG 3.92Å; I180-F266 HydrophobicContact CD1-CZ 3.7Å; I180-F266 HydrophobicContact CG1-CD1 4.33Å; I180-F266 HydrophobicContact CG1-CE1 3.78Å; I180-F266 HydrophobicContact CG1-CE2 4.26Å; I180-F266 HydrophobicContact CG1-CZ 3.75Å; I180-L270 HydrophobicContact CD1-CD1 4.07Å |
| 181 | L | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119 | 163.2 | -52.6 | 179.7 | 0 | 0 | 0 | 106.9 | F167 I171 I179 V198 F230 A233 R234 V242 R243 A244 V245 | F167-L181 HydrophobicContact CZ-CD2 4.46Å; I171-L181 HydrophobicContact CD1-CD2 4.28Å; I179-L181 HydrophobicContact CG2-CD2 3.97Å; I179-L181 HydrophobicContact CG2-CG 4.39Å; L181-V198 HydrophobicContact CD2-CB 4.39Å; L181-V198 HydrophobicContact CD2-CG1 3.98Å; L181-V198 HydrophobicContact CD2-CG2 3.77Å; L181-F230 HydrophobicContact CB-CD2 4.13Å; L181-F230 HydrophobicContact CB-CE2 4.04Å; L181-F230 HydrophobicContact CB-CG 4.39Å; L181-F230 HydrophobicContact CB-CZ 4.31Å; L181-F230 HydrophobicContact CD1-CB 4.16Å; L181-F230 HydrophobicContact CD1-CD1 4.31Å; L181-F230 HydrophobicContact CD1-CG 4.14Å; L181-F230 HydrophobicContact CD2-CD1 4.22Å; L181-F230 HydrophobicContact CD2-CE1 4.05Å; L181-F230 HydrophobicContact CD2-CZ 4.34Å; L181-A233 HydrophobicContact CD1-CB 3.94Å; L181-R234 HydrophobicContact CD1-CG 4.22Å; L181-V242 HydrophobicContact CD1-CG1 3.67Å; L181-V242 HydrophobicContact CG-CG1 3.85Å; L181-R243 PolarHBondContact N-O 3.16Å; L181-A244 CarbonylContact O-C 3.41Å; L181-A244 WeakPolarHBondContact O-CA 3.32Å; L181-V245 PolarHBondContact O-N 3.44Å |
| 182 | W | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151.4 | -177.6 | 67.5 | -95.2 | 0 | 0 | 0 | 112.1 | I180 C196 G197 P219 V245 L247 A252 L255 I256 | I180-W182 HydrophobicContact CG2-CB 4.22Å; W182-C196 CarbonylContact O-C 3.59Å; W182-C196 WeakPolarHBondContact O-CA 3.33Å; W182-C196 WeakPolarHBondContact O-CB 3.47Å; W182-G197 VanDerWaalsContact CD1-C 3.45Å; W182-G197 VanDerWaalsContact CD1-O 3.28Å; W182-G197 PolarHBondContact N-O 3.37Å; W182-G197 VanDerWaalsContact NE1-C 3.31Å; W182-G197 VanDerWaalsContact NE1-CA 3.28Å; W182-G197 PolarHBondContact O-N 3.31Å; W182-P219 HydrophobicContact CH2-CB 3.85Å; W182-P219 HydrophobicContact CH2-CG 4.25Å; W182-P219 HydrophobicContact CZ2-CB 3.78Å; W182-P219 HydrophobicContact CZ2-CG 3.8Å; W182-V245 VanDerWaalsContact CA-O 3.3Å; W182-V245 WeakPolarHBondContact CA-O 3.41Å; W182-V245 HydrophobicContact CB-CG2 3.72Å; W182-L247 HydrophobicContact CB-CD1 3.95Å; W182-L247 HydrophobicContact CB-CG 3.89Å; W182-L247 HydrophobicContact CD2-CD1 3.59Å; W182-L247 HydrophobicContact CD2-CG 4.33Å; W182-L247 HydrophobicContact CE3-CD1 3.69Å; W182-L247 HydrophobicContact CE3-CG 4.24Å; W182-L247 HydrophobicContact CG-CD1 3.72Å; W182-L247 HydrophobicContact CG-CG 4.22Å; W182-L247 HydrophobicContact CZ3-CD1 4.45Å; W182-A252 HydrophobicContact CZ3-CB 4.11Å; W182-L255 HydrophobicContact CD2-CD2 4.31Å; W182-L255 VanDerWaalsContact CE2-CD2 3.46Å; W182-L255 HydrophobicContact CZ2-CD2 3.65Å; W182-L255 HydrophobicContact CZ2-CG 4.49Å; W182-L255 VanDerWaalsContact NE1-CD2 3.26Å; W182-I256 HydrophobicContact CH2-CD1 4.05Å; W182-I256 HydrophobicContact CH2-CG1 3.95Å |
| 183 | H | 96.9 | Very high | 91.6 | Very high | 11 Ų | 11 | 55 Ų | 55 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 161.3 | 166.3 | 75.6 | 111.7 | 0 | 0 | 0 | 110.2 | E194 Y195 C196 M222 V245 T246 L247 W273 | H183-E194 HydrophobicContact CB-CG 4.38Å; H183-E194 IonicContact CE1-OE1 3.64Å; H183-E194 IonicContact CG-OE1 3.46Å; H183-E194 IonicContact ND1-OE1 2.67Å; H183-E194 PolarHBondContact ND1-OE1 3.44Å; H183-Y195 CarbonylContact C-O 3.52Å; H183-Y195 WeakPolarHBondContact CA-O 3.42Å; H183-C196 HydrophobicContact CB-CB 4.49Å; H183-M222 HydrophobicContact CB-CE 3.82Å; H183-V245 PolarHBondContact CD2-O 3.44Å; H183-V245 VanDerWaalsContact CD2-O 3.23Å; H183-V245 PolarHBondContact N-O 3.06Å; H183-V245 VanDerWaalsContact N-O 3.09Å; H183-T246 PolarHBondContact CE1-OG1 2.87Å; H183-T246 WeakPolarHBondContact NE2-CB 3.29Å; H183-T246 PolarHBondContact NE2-OG1 3.28Å; H183-L247 PolarHBondContact O-N 3.02Å; H183-W273 AromaticContact CD2-CD1 3.7Å; H183-W273 AromaticContact CD2-CD2 3.39Å; H183-W273 AromaticContact CD2-CE2 3.67Å; H183-W273 AromaticContact CD2-CE3 3.9Å; H183-W273 AromaticContact CD2-CG 3.42Å; H183-W273 VanDerWaalsContact CD2-CG 3.42Å; H183-W273 AromaticContact CD2-NE1 3.82Å; H183-W273 AromaticContact CE1-CD1 3.59Å; H183-W273 AromaticContact CE1-NE1 3.57Å; H183-W273 AromaticContact NE2-CD1 3.05Å; H183-W273 AromaticContact NE2-CD2 3.63Å; H183-W273 AromaticContact NE2-CE2 3.78Å; H183-W273 AromaticContact NE2-CG 3.17Å; H183-W273 AromaticContact NE2-NE1 3.41Å; H183-W273 PolarHBondContact NE2-NE1 3.38Å |
| 184 | G | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | 173.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P186 E194 Y195 | G184-P186 VanDerWaalsContact C-CD 3.46Å; G184-P186 WeakPolarHBondContact O-CD 3.27Å; G184-E194 WeakPolarHBondContact O-CA 3.48Å; G184-Y195 PolarHBondContact N-O 2.92Å; G184-Y195 PolarHBondContact O-N 3.47Å |
| 185 | F | 95.1 | Very high | 91.9 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 48% | 0.478 | 27% | 0.271 | S | S | . | . | trans | -117.7 | 75.4 | -176.6 | -60.8 | -92.3 | 0 | 0 | 0 | 109.6 | F187 E194 P249 | F185-F187 PolarHBondContact O-N 3.41Å; F185-E194 HydrophobicContact CD1-CB 4.2Å; F185-E194 HydrophobicContact CE1-CB 3.59Å; F185-E194 HydrophobicContact CE1-CG 4.15Å; F185-E194 HydrophobicContact CE2-CG 4.35Å; F185-E194 HydrophobicContact CZ-CB 3.83Å; F185-E194 HydrophobicContact CZ-CG 3.9Å; F185-P249 WeakPolarHBondContact O-CB 3.25Å | ||
| 186 | P | 92.1 | Very high | 92 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | trans | -68.5 | -29.5 | -170.1 | 27.5 | -38 | 0 | 0 | 0 | 114.2 | G184 Y195 A252 E253 I256 | G184-P186 VanDerWaalsContact C-CD 3.46Å; G184-P186 WeakPolarHBondContact O-CD 3.27Å; P186-Y195 HydrophobicContact CG-CD2 3.63Å; P186-Y195 HydrophobicContact CG-CE2 4.27Å; P186-Y195 HydrophobicContact CG-CG 4.07Å; P186-A252 HydrophobicContact CB-CB 3.87Å; P186-A252 HydrophobicContact CG-CB 4.47Å; P186-E253 HydrophobicContact CB-CB 4.1Å; P186-I256 HydrophobicContact CB-CD1 3.84Å; P186-I256 HydrophobicContact CG-CD1 3.51Å | ||
| 187 | F | 91.2 | Very high | 92 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | trans | -122.7 | 148.6 | -169.3 | -51.5 | -62.3 | 0 | 0 | 0 | 111.6 | F185 H191 S192 Y195 E253 I256 | F185-F187 PolarHBondContact O-N 3.41Å; F187-H191 HydrophobicContact CB-CB 3.74Å; F187-H191 HydrophobicContact CD2-CB 4.13Å; F187-H191 HydrophobicContact CG-CB 4.18Å; F187-S192 WeakPolarHBondContact O-CA 3.28Å; F187-Y195 HydrophobicContact CD2-CE2 4.02Å; F187-Y195 HydrophobicContact CE2-CE2 4.32Å; F187-E253 HydrophobicContact CD1-CG 4.39Å; F187-E253 HydrophobicContact CE1-CG 3.8Å; F187-I256 HydrophobicContact CE2-CD1 4.28Å; F187-I256 HydrophobicContact CE2-CG2 4.37Å; F187-I256 HydrophobicContact CZ-CD1 4.5Å; F187-I256 HydrophobicContact CZ-CG2 4.02Å | ||
| 188 | A | 85.3 | Confident | 92 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 74% | 0.736 | 23% | 0.226 | S | C | * | . | trans | -97.3 | 167.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 189 | G | 86.8 | Confident | 92.1 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 57% | 0.567 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | 73.1 | -136 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H191 S192 | G189-H191 PolarHBondContact O-N 2.86Å; G189-H191 VanDerWaalsContact O-N 3.1Å; G189-S192 WeakPolarHBondContact O-CB 3.26Å; G189-S192 PolarHBondContact O-N 3.45Å; G189-S192 PolarHBondContact O-OG 3.02Å |
| 190 | T | 77 | Confident | 92.1 | Very high | 128 Ų | 128 | 36.4 Ų | 36.4 | 79% | 0.785 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -61.4 | -21.3 | -175.6 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 191 | H | 78.8 | Confident | 92 | Very high | 105 Ų | 105 | 40.2 Ų | 40.2 | 49% | 0.486 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -102.6 | 12.7 | 177.2 | -56.9 | 99.8 | 0 | 0 | 0 | 112.9 | F187 G189 G193 | F187-H191 HydrophobicContact CB-CB 3.74Å; F187-H191 HydrophobicContact CD2-CB 4.13Å; F187-H191 HydrophobicContact CG-CB 4.18Å; G189-H191 PolarHBondContact O-N 2.86Å; G189-H191 VanDerWaalsContact O-N 3.1Å; H191-G193 PolarHBondContact O-N 3.49Å |
| 192 | S | 84 | Confident | 92 | Very high | 83 Ų | 83 | 41.3 Ų | 41.3 | 58% | 0.58 | 24% | 0.239 | S | C | * | . | trans | -67.1 | 80.3 | 174.2 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | F187 G189 | F187-S192 WeakPolarHBondContact O-CA 3.28Å; G189-S192 WeakPolarHBondContact O-CB 3.26Å; G189-S192 PolarHBondContact O-N 3.45Å; G189-S192 PolarHBondContact O-OG 3.02Å | ||
| 193 | G | 91 | Very high | 92 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | trans | -131 | 159.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | H191 Y195 | H191-G193 PolarHBondContact O-N 3.49Å; G193-Y195 WeakPolarHBondContact O-CD2 3.47Å | ||
| 194 | E | 95.3 | Very high | 91.9 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | trans | -73.5 | 130.6 | 166.6 | -171.2 | 171.8 | -157.9 | 0 | 0 | 109.1 | H183 G184 F185 M222 | H183-E194 HydrophobicContact CB-CG 4.38Å; H183-E194 IonicContact CE1-OE1 3.64Å; H183-E194 IonicContact CG-OE1 3.46Å; H183-E194 IonicContact ND1-OE1 2.67Å; H183-E194 PolarHBondContact ND1-OE1 3.44Å; G184-E194 WeakPolarHBondContact O-CA 3.48Å; F185-E194 HydrophobicContact CD1-CB 4.2Å; F185-E194 HydrophobicContact CE1-CB 3.59Å; F185-E194 HydrophobicContact CE1-CG 4.15Å; F185-E194 HydrophobicContact CE2-CG 4.35Å; F185-E194 HydrophobicContact CZ-CB 3.83Å; F185-E194 HydrophobicContact CZ-CG 3.9Å; E194-M222 HydrophobicContact CB-CB 3.9Å; E194-M222 HydrophobicContact CG-CB 3.67Å; E194-M222 HydrophobicContact CG-CG 4.22Å; E194-M222 PolarHBondContact O-N 3.16Å | ||
| 195 | Y | 95.9 | Very high | 91.9 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 13% | 0.129 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 151 | 172.1 | -76.7 | -102.6 | 0 | 0 | 0 | 109 | H183 G184 P186 F187 G193 A220 R221 I256 | H183-Y195 CarbonylContact C-O 3.52Å; H183-Y195 WeakPolarHBondContact CA-O 3.42Å; G184-Y195 PolarHBondContact N-O 2.92Å; G184-Y195 PolarHBondContact O-N 3.47Å; P186-Y195 HydrophobicContact CG-CD2 3.63Å; P186-Y195 HydrophobicContact CG-CE2 4.27Å; P186-Y195 HydrophobicContact CG-CG 4.07Å; F187-Y195 HydrophobicContact CD2-CE2 4.02Å; F187-Y195 HydrophobicContact CE2-CE2 4.32Å; G193-Y195 WeakPolarHBondContact O-CD2 3.47Å; Y195-A220 CarbonylContact C-O 3.6Å; Y195-A220 VanDerWaalsContact CA-O 3.29Å; Y195-A220 WeakPolarHBondContact CA-O 3.19Å; Y195-R221 HydrophobicContact CD1-CG 4.2Å; Y195-R221 HydrophobicContact CE1-CG 3.7Å; Y195-R221 HydrophobicContact CE2-CG 4.13Å; Y195-R221 PolarHBondContact OH-NE 3.25Å; Y195-I256 HydrophobicContact CD1-CD1 4.2Å; Y195-I256 HydrophobicContact CG-CD1 4.08Å |
| 196 | C | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 159.1 | 175.7 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | W182 H183 P219 A220 M222 F230 | W182-C196 CarbonylContact O-C 3.59Å; W182-C196 WeakPolarHBondContact O-CA 3.33Å; W182-C196 WeakPolarHBondContact O-CB 3.47Å; H183-C196 HydrophobicContact CB-CB 4.49Å; C196-P219 CarbonylContact O-C 3.43Å; C196-P219 VanDerWaalsContact O-CA 3.31Å; C196-P219 WeakPolarHBondContact O-CA 3.23Å; C196-A220 PolarHBondContact N-O 2.81Å; C196-A220 PolarHBondContact O-N 3.1Å; C196-M222 HydrophobicContact CB-CB 4.48Å; C196-M222 HydrophobicContact CB-CE 3.51Å; C196-M222 HydrophobicContact CB-SD 3.92Å; C196-F230 HydrophobicContact CB-CE2 3.77Å; C196-F230 HydrophobicContact CB-CZ 4.02Å |
| 197 | G | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 171.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W182 F230 | W182-G197 VanDerWaalsContact CD1-C 3.45Å; W182-G197 VanDerWaalsContact CD1-O 3.28Å; W182-G197 PolarHBondContact N-O 3.37Å; W182-G197 VanDerWaalsContact NE1-C 3.31Å; W182-G197 VanDerWaalsContact NE1-CA 3.28Å; W182-G197 PolarHBondContact O-N 3.31Å; G197-F230 WeakPolarHBondContact O-CZ 3.33Å |
| 198 | V | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.6 | -179.7 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | W160 F167 I171 I179 I180 L181 L200 L217 F230 | W160-V198 HydrophobicContact CH2-CG2 4.42Å; W160-V198 HydrophobicContact CZ3-CG2 4.3Å; F167-V198 HydrophobicContact CE2-CG2 3.82Å; F167-V198 HydrophobicContact CZ-CG2 4.27Å; I171-V198 HydrophobicContact CD1-CG1 3.93Å; I179-V198 HydrophobicContact CG2-CG1 4.15Å; I180-V198 WeakPolarHBondContact O-CA 3.34Å; L181-V198 HydrophobicContact CD2-CB 4.39Å; L181-V198 HydrophobicContact CD2-CG1 3.98Å; L181-V198 HydrophobicContact CD2-CG2 3.77Å; V198-L200 HydrophobicContact CG1-CD2 3.59Å; V198-L200 HydrophobicContact CG1-CG 3.93Å; V198-L217 HydrophobicContact CB-CB 4.3Å; V198-L217 HydrophobicContact CB-CD1 3.85Å; V198-L217 HydrophobicContact CB-CG 4.05Å; V198-L217 HydrophobicContact CG1-CD1 4.27Å; V198-L217 HydrophobicContact CG2-CD1 4.25Å; V198-L217 PolarHBondContact O-N 3.04Å; V198-F230 HydrophobicContact CG2-CE1 3.68Å; V198-F230 HydrophobicContact CG2-CZ 3.85Å |
| 199 | L | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127 | 170.9 | -50.8 | 179.6 | 0 | 0 | 0 | 109.1 | I179 I180 V214 L215 S216 L255 P262 L265 F266 | I179-L199 WeakPolarHBondContact CA-O 3.49Å; I180-L199 HydrophobicContact CB-CB 4.19Å; I180-L199 HydrophobicContact CB-CD1 4.43Å; I180-L199 PolarHBondContact N-O 3.3Å; I180-L199 PolarHBondContact O-N 2.94Å; L199-V214 HydrophobicContact CB-CG1 3.97Å; L199-L215 WeakPolarHBondContact CA-O 3.23Å; L199-S216 VanDerWaalsContact CD2-OG 3.29Å; L199-S216 WeakPolarHBondContact CD2-OG 3.27Å; L199-L255 HydrophobicContact CD1-CD2 4.37Å; L199-L255 HydrophobicContact CD2-CD1 4.25Å; L199-L255 HydrophobicContact CD2-CD2 4.04Å; L199-P262 HydrophobicContact CD1-CB 4.49Å; L199-P262 HydrophobicContact CD2-CB 4.01Å; L199-L265 HydrophobicContact CD1-CB 4.08Å; L199-L265 HydrophobicContact CD1-CD1 3.71Å; L199-F266 HydrophobicContact CB-CE2 3.76Å; L199-F266 HydrophobicContact CB-CZ 3.97Å; L199-F266 HydrophobicContact CD1-CE2 4.12Å |
| 200 | L | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 105.2 | -176.9 | -54.4 | 168.7 | 0 | 0 | 0 | 108.1 | I170 I171 I179 V198 Q202 V214 L215 L217 | I170-L200 HydrophobicContact CG2-CD1 3.49Å; I170-L200 VanDerWaalsContact CG2-CD1 3.49Å; I171-L200 HydrophobicContact CD1-CD2 4.13Å; I179-L200 HydrophobicContact CB-CD2 4.45Å; I179-L200 HydrophobicContact CD1-CD2 3.93Å; I179-L200 HydrophobicContact CG1-CD2 3.84Å; I179-L200 HydrophobicContact CG2-CD2 3.95Å; V198-L200 HydrophobicContact CG1-CD2 3.59Å; V198-L200 HydrophobicContact CG1-CG 3.93Å; L200-Q202 HydrophobicContact CB-CG 4.21Å; L200-Q202 PolarHBondContact O-N 3.42Å; L200-V214 CarbonylContact O-C 3.44Å; L200-V214 WeakPolarHBondContact O-CA 3.5Å; L200-L215 HydrophobicContact CB-CB 4.3Å; L200-L215 HydrophobicContact CD1-CD2 4.19Å; L200-L215 PolarHBondContact N-O 3.25Å; L200-L215 PolarHBondContact O-N 2.78Å; L200-L217 HydrophobicContact CD1-CD2 4.37Å; L200-L217 HydrophobicContact CD1-CG 4.49Å |
| 201 | R | 96.3 | Very high | 93.9 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 114.9 | 169.7 | -171.7 | 176.4 | -176.4 | -167.4 | -1.8 | 108.2 | M177 D178 V214 F266 | M177-R201 PolarHBondContact N-O 3.21Å; D178-R201 HydrophobicContact CB-CB 4.28Å; D178-R201 WeakPolarHBondContact O-CB 3.03Å; D178-R201 PolarHBondContact O-N 3.36Å; R201-V214 HydrophobicContact CB-CG2 4.08Å; R201-V214 HydrophobicContact CG-CG2 4.09Å; R201-F266 HydrophobicContact CB-CD1 4.36Å; R201-F266 HydrophobicContact CB-CE1 3.8Å; R201-F266 HydrophobicContact CB-CZ 3.92Å |
| 202 | Q | 95.4 | Very high | 94.7 | Very high | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.103 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139.5 | -170.5 | -69.6 | 179.9 | -32.1 | 0 | 0 | 111.3 | Y140 E175 N176 L200 Y212 P213 | Y140-Q202 PolarHBondContact OH-OE1 2.69Å; E175-Q202 HydrophobicContact CB-CB 4.5Å; E175-Q202 CarbonylContact O-C 3.44Å; E175-Q202 VanDerWaalsContact O-CA 3.22Å; E175-Q202 WeakPolarHBondContact O-CA 3.44Å; N176-Q202 WeakPolarHBondContact OD1-CG 3.5Å; N176-Q202 PolarHBondContact OD1-NE2 3.23Å; N176-Q202 VanDerWaalsContact OD1-NE2 3.11Å; L200-Q202 HydrophobicContact CB-CG 4.21Å; L200-Q202 PolarHBondContact O-N 3.42Å; Q202-Y212 CarbonylContact O-C 3.57Å; Q202-Y212 VanDerWaalsContact O-CA 3.24Å; Q202-Y212 WeakPolarHBondContact O-CA 3.44Å; Q202-P213 PolarHBondContact N-O 3.26Å; Q202-P213 VanDerWaalsContact O-CD 3.26Å; Q202-P213 WeakPolarHBondContact O-CD 3.45Å |
| 203 | K | 96.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 40% | 0.4 | 21% | 0.206 | S | C | . | . | trans | -78.9 | 118.5 | 167.5 | -176.3 | -176.7 | 176.4 | -175.8 | 0 | 108.6 | E175 M177 I210 Y212 | E175-K203 PolarHBondContact O-N 2.79Å; M177-K203 HydrophobicContact CG-CB 3.78Å; M177-K203 HydrophobicContact SD-CB 4.02Å; M177-K203 HydrophobicContact SD-CD 4.46Å; K203-I210 HydrophobicContact CD-CG2 4.38Å; K203-I210 HydrophobicContact CG-CG2 3.76Å; K203-Y212 HydrophobicContact CB-CD1 4.23Å; K203-Y212 HydrophobicContact CB-CE1 4Å; K203-Y212 HydrophobicContact CG-CE1 3.98Å | ||
| 204 | K | 95.4 | Very high | 95.4 | Very high | 46 Ų | 46 | 42.5 Ų | 42.5 | 20% | 0.2 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 138.7 | 169.8 | -69.2 | -167 | -178.9 | 174.6 | 0 | 110.3 | Y140 I206 I210 I211 P213 | Y140-K204 VanDerWaalsContact CZ-CE 3.49Å; Y140-K204 WeakPolarHBondContact OH-CE 3.32Å; Y140-K204 PolarHBondContact OH-NZ 3.4Å; K204-I206 HydrophobicContact CB-CD1 4.34Å; K204-I206 HydrophobicContact CB-CG1 4.25Å; K204-I206 HydrophobicContact CD-CD1 4.43Å; K204-I210 CarbonylContact O-C 3.42Å; K204-I210 WeakPolarHBondContact O-CA 3.39Å; K204-I211 HydrophobicContact CB-CG1 4.1Å; K204-I211 PolarHBondContact N-O 3.29Å; K204-I211 PolarHBondContact O-N 3.23Å; K204-P213 HydrophobicContact CB-CG 4.48Å; K204-P213 HydrophobicContact CD-CG 3.89Å; K204-P213 HydrophobicContact CG-CG 4.03Å |
| 205 | E | 96.2 | Very high | 95.4 | Very high | 134 Ų | 134 | 40.9 Ų | 40.9 | 63% | 0.626 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.4 | 169.4 | -174.1 | 173.8 | 174.3 | 0 | 0 | 109 | T209 I210 | E205-T209 WeakPolarHBondContact CA-O 3.1Å; E205-I210 HydrophobicContact CG-CG1 4.48Å |
| 206 | I | 95.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 123.3 | -175.3 | -54.1 | -175.9 | 0 | 0 | 0 | 107.1 | L106 W138 K204 N208 T209 I211 | L106-I206 HydrophobicContact CD2-CB 3.9Å; L106-I206 HydrophobicContact CD2-CG2 4.18Å; W138-I206 HydrophobicContact CB-CD1 3.66Å; W138-I206 VanDerWaalsContact CD1-CD1 3.48Å; W138-I206 HydrophobicContact CD2-CD1 3.81Å; W138-I206 HydrophobicContact CD2-CG2 4.02Å; W138-I206 HydrophobicContact CE3-CG2 4.5Å; W138-I206 HydrophobicContact CG-CD1 3.34Å; W138-I206 HydrophobicContact CH2-CG2 4.1Å; W138-I206 HydrophobicContact CZ2-CG2 3.6Å; K204-I206 HydrophobicContact CB-CD1 4.34Å; K204-I206 HydrophobicContact CB-CG1 4.25Å; K204-I206 HydrophobicContact CD-CD1 4.43Å; I206-N208 VanDerWaalsContact C-N 3.27Å; I206-N208 PolarHBondContact O-N 3.34Å; I206-T209 PolarHBondContact N-O 2.94Å; I206-T209 WeakPolarHBondContact O-CA 3.33Å; I206-T209 VanDerWaalsContact O-CB 3.32Å; I206-T209 WeakPolarHBondContact O-CB 3.01Å; I206-T209 PolarHBondContact O-N 2.85Å; I206-T209 VanDerWaalsContact O-O 3.08Å; I206-I211 HydrophobicContact CD1-CD1 3.64Å; I206-I211 HydrophobicContact CD1-CG1 4.17Å; I206-I211 HydrophobicContact CG1-CD1 4.5Å |
| 207 | N | 93.7 | Very high | 95.2 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 36% | 0.358 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 47.8 | 179.8 | -56.7 | -33.3 | 0 | 0 | 0 | 112.2 | L106 P109 T209 | L106-N207 PolarHBondContact O-ND2 3.14Å; P109-N207 WeakPolarHBondContact CD-ND2 3.11Å; P109-N207 HydrophobicContact CG-CB 4.41Å; P109-N207 VanDerWaalsContact CG-CG 3.48Å; P109-N207 VanDerWaalsContact CG-ND2 3.28Å; P109-N207 WeakPolarHBondContact CG-ND2 3.5Å; N207-T209 PolarHBondContact O-N 2.88Å; N207-T209 VanDerWaalsContact O-N 3.11Å; N207-T209 PolarHBondContact O-OG1 2.54Å |
| 208 | N | 91.6 | Very high | 95 | Very high | 150 Ų | 150 | 46.4 Ų | 46.4 | 80% | 0.802 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 21.1 | -176.4 | -56.1 | -15.4 | 0 | 0 | 0 | 114.5 | I206 | I206-N208 VanDerWaalsContact C-N 3.27Å; I206-N208 PolarHBondContact O-N 3.34Å |
| 209 | T | 94.5 | Very high | 94.8 | Very high | 19 Ų | 19 | 47 Ų | 47 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.6 | 179.7 | -56.2 | 0 | 0 | 0 | 0 | 109.2 | T102 A105 L106 E205 I206 N207 | T102-T209 HydrophobicContact CG2-CG2 3.58Å; A105-T209 HydrophobicContact CB-CG2 4.41Å; A105-T209 VanDerWaalsContact CB-OG1 3.24Å; A105-T209 WeakPolarHBondContact CB-OG1 3.19Å; L106-T209 HydrophobicContact CD2-CG2 4.05Å; L106-T209 HydrophobicContact CG-CG2 4.11Å; E205-T209 WeakPolarHBondContact CA-O 3.1Å; I206-T209 PolarHBondContact N-O 2.94Å; I206-T209 WeakPolarHBondContact O-CA 3.33Å; I206-T209 VanDerWaalsContact O-CB 3.32Å; I206-T209 WeakPolarHBondContact O-CB 3.01Å; I206-T209 PolarHBondContact O-N 2.85Å; I206-T209 VanDerWaalsContact O-O 3.08Å; N207-T209 PolarHBondContact O-N 2.88Å; N207-T209 VanDerWaalsContact O-N 3.11Å; N207-T209 PolarHBondContact O-OG1 2.54Å |
| 210 | I | 95.9 | Very high | 94.7 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.6 | 178.7 | -63.2 | 165.9 | 0 | 0 | 0 | 109.2 | K203 K204 E205 Y212 | K203-I210 HydrophobicContact CD-CG2 4.38Å; K203-I210 HydrophobicContact CG-CG2 3.76Å; K204-I210 CarbonylContact O-C 3.42Å; K204-I210 WeakPolarHBondContact O-CA 3.39Å; E205-I210 HydrophobicContact CG-CG1 4.48Å; I210-Y212 HydrophobicContact CG2-CE1 4.28Å; I210-Y212 HydrophobicContact CG2-CE2 3.99Å |
| 211 | I | 96.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 163.7 | 171.4 | 56.8 | 163.7 | 0 | 0 | 0 | 111.1 | I98 L106 W138 F139 K204 I206 P213 | I98-I211 HydrophobicContact CD1-CG2 4.11Å; L106-I211 HydrophobicContact CD1-CG2 3.67Å; L106-I211 HydrophobicContact CD2-CG2 3.86Å; L106-I211 HydrophobicContact CG-CG2 4.24Å; W138-I211 HydrophobicContact CB-CD1 4.12Å; F139-I211 HydrophobicContact CE1-CD1 4.04Å; F139-I211 HydrophobicContact CE2-CD1 4.44Å; F139-I211 HydrophobicContact CZ-CD1 3.9Å; K204-I211 HydrophobicContact CB-CG1 4.1Å; K204-I211 PolarHBondContact N-O 3.29Å; K204-I211 PolarHBondContact O-N 3.23Å; I206-I211 HydrophobicContact CD1-CD1 3.64Å; I206-I211 HydrophobicContact CD1-CG1 4.17Å; I206-I211 HydrophobicContact CG1-CD1 4.5Å; I211-P213 VanDerWaalsContact C-CD 3.42Å; I211-P213 HydrophobicContact CD1-CG 4.32Å; I211-P213 WeakPolarHBondContact O-CD 3.49Å |
| 212 | Y | 96.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 51.3 Ų | 51.3 | 35% | 0.353 | 24% | 0.24 | S | C | . | . | trans | -125.2 | 64.8 | -178.8 | -57 | -84.6 | 0 | 0 | 0 | 112.6 | M177 Q202 K203 I210 | M177-Y212 HydrophobicContact CG-CD1 4.24Å; M177-Y212 HydrophobicContact CG-CE1 4.22Å; Q202-Y212 CarbonylContact O-C 3.57Å; Q202-Y212 VanDerWaalsContact O-CA 3.24Å; Q202-Y212 WeakPolarHBondContact O-CA 3.44Å; K203-Y212 HydrophobicContact CB-CD1 4.23Å; K203-Y212 HydrophobicContact CB-CE1 4Å; K203-Y212 HydrophobicContact CG-CE1 3.98Å; I210-Y212 HydrophobicContact CG2-CE1 4.28Å; I210-Y212 HydrophobicContact CG2-CE2 3.99Å | ||
| 213 | P | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -65.6 | 161.9 | 175.4 | 31.1 | -38.8 | 0 | 0 | 0 | 111.6 | W138 F139 Y140 Q202 K204 I211 | W138-P213 WeakPolarHBondContact O-CB 3.34Å; W138-P213 VanDerWaalsContact O-CG 3.31Å; W138-P213 WeakPolarHBondContact O-CG 3.49Å; F139-P213 HydrophobicContact CD1-CB 4.18Å; Y140-P213 HydrophobicContact CD2-CB 4.07Å; Y140-P213 HydrophobicContact CE2-CB 4.1Å; Y140-P213 HydrophobicContact CE2-CG 4.14Å; Q202-P213 PolarHBondContact N-O 3.26Å; Q202-P213 VanDerWaalsContact O-CD 3.26Å; Q202-P213 WeakPolarHBondContact O-CD 3.45Å; K204-P213 HydrophobicContact CB-CG 4.48Å; K204-P213 HydrophobicContact CD-CG 3.89Å; K204-P213 HydrophobicContact CG-CG 4.03Å; I211-P213 VanDerWaalsContact C-CD 3.42Å; I211-P213 HydrophobicContact CD1-CG 4.32Å; I211-P213 WeakPolarHBondContact O-CD 3.49Å | ||
| 214 | V | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 114 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | L199 L200 R201 P262 F266 | L199-V214 HydrophobicContact CB-CG1 3.97Å; L200-V214 CarbonylContact O-C 3.44Å; L200-V214 WeakPolarHBondContact O-CA 3.5Å; R201-V214 HydrophobicContact CB-CG2 4.08Å; R201-V214 HydrophobicContact CG-CG2 4.09Å; V214-P262 HydrophobicContact CB-CB 4.14Å; V214-P262 HydrophobicContact CG1-CB 3.59Å; V214-F266 HydrophobicContact CB-CE2 4.44Å; V214-F266 HydrophobicContact CG1-CD2 4.38Å; V214-F266 HydrophobicContact CG1-CE2 3.63Å; V214-F266 HydrophobicContact CG1-CZ 4.35Å; V214-F266 HydrophobicContact CG2-CD2 4.01Å; V214-F266 HydrophobicContact CG2-CE2 3.87Å |
| 215 | L | 94.2 | Very high | 94.4 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121 | 169.3 | 177.2 | 59.5 | 0 | 0 | 0 | 108.6 | Y140 L199 L200 L217 | Y140-L215 HydrophobicContact CD1-CD1 3.88Å; Y140-L215 HydrophobicContact CD2-CB 3.82Å; Y140-L215 HydrophobicContact CD2-CD1 4.33Å; Y140-L215 HydrophobicContact CE1-CD1 4.04Å; Y140-L215 HydrophobicContact CE2-CB 3.57Å; Y140-L215 HydrophobicContact CE2-CD1 4.46Å; Y140-L215 HydrophobicContact CG-CB 4.36Å; Y140-L215 HydrophobicContact CG-CD1 4Å; L199-L215 WeakPolarHBondContact CA-O 3.23Å; L200-L215 HydrophobicContact CB-CB 4.3Å; L200-L215 HydrophobicContact CD1-CD2 4.19Å; L200-L215 PolarHBondContact N-O 3.25Å; L200-L215 PolarHBondContact O-N 2.78Å; L215-L217 HydrophobicContact CD2-CD2 4.31Å; L215-L217 HydrophobicContact CG-CD2 4.35Å |
| 216 | S | 94.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.6 | 167.7 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | P157 G158 L199 | P157-S216 CarbonylContact C-O 3.53Å; P157-S216 WeakPolarHBondContact CA-O 3.4Å; P157-S216 WeakPolarHBondContact CB-O 3.45Å; G158-S216 PolarHBondContact N-O 3.04Å; L199-S216 VanDerWaalsContact CD2-OG 3.29Å; L199-S216 WeakPolarHBondContact CD2-OG 3.27Å |
| 217 | L | 94.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 155.3 | 165.2 | -56.4 | -172 | 0 | 0 | 0 | 109.9 | G158 P161 I170 V198 L200 L215 P219 | G158-L217 CarbonylContact O-C 3.56Å; G158-L217 VanDerWaalsContact O-CA 3.28Å; G158-L217 WeakPolarHBondContact O-CA 3.48Å; P161-L217 HydrophobicContact CG-CD1 4.27Å; I170-L217 HydrophobicContact CG2-CD1 4.41Å; V198-L217 HydrophobicContact CB-CB 4.3Å; V198-L217 HydrophobicContact CB-CD1 3.85Å; V198-L217 HydrophobicContact CB-CG 4.05Å; V198-L217 HydrophobicContact CG1-CD1 4.27Å; V198-L217 HydrophobicContact CG2-CD1 4.25Å; V198-L217 PolarHBondContact O-N 3.04Å; L200-L217 HydrophobicContact CD1-CD2 4.37Å; L200-L217 HydrophobicContact CD1-CG 4.49Å; L215-L217 HydrophobicContact CD2-CD2 4.31Å; L215-L217 HydrophobicContact CG-CD2 4.35Å; L217-P219 WeakPolarHBondContact O-CD 3.37Å |
| 218 | Y | 90.4 | Very high | 94.2 | Very high | 139 Ų | 139 | 53.8 Ų | 53.8 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 122.7 | 179.8 | -167.5 | -83.3 | 0 | 0 | 0 | 108 | P157 G158 A220 | P157-Y218 HydrophobicContact CB-CD2 4.15Å; P157-Y218 HydrophobicContact CG-CD2 3.44Å; P157-Y218 VanDerWaalsContact CG-CD2 3.44Å; P157-Y218 HydrophobicContact CG-CE2 4.24Å; P157-Y218 HydrophobicContact CG-CG 4.27Å; G158-Y218 PolarHBondContact O-N 2.98Å; Y218-A220 PolarHBondContact O-N 3.24Å |
| 219 | P | 92.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 139.2 | -177.7 | -24.8 | 37 | 0 | 0 | 0 | 111.5 | W182 C196 L217 I256 | W182-P219 HydrophobicContact CH2-CB 3.85Å; W182-P219 HydrophobicContact CH2-CG 4.25Å; W182-P219 HydrophobicContact CZ2-CB 3.78Å; W182-P219 HydrophobicContact CZ2-CG 3.8Å; C196-P219 CarbonylContact O-C 3.43Å; C196-P219 VanDerWaalsContact O-CA 3.31Å; C196-P219 WeakPolarHBondContact O-CA 3.23Å; L217-P219 WeakPolarHBondContact O-CD 3.37Å; P219-I256 HydrophobicContact CB-CD1 4.49Å; P219-I256 HydrophobicContact CB-CG1 3.75Å; P219-I256 HydrophobicContact CG-CB 4.49Å; P219-I256 HydrophobicContact CG-CG1 3.77Å |
| 220 | A | 93.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 161.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | W160 Y195 C196 Y218 K226 | W160-A220 HydrophobicContact CD2-CB 3.86Å; W160-A220 HydrophobicContact CE3-CB 3.9Å; W160-A220 HydrophobicContact CG-CB 4.23Å; W160-A220 HydrophobicContact CZ3-CB 4.34Å; Y195-A220 CarbonylContact C-O 3.6Å; Y195-A220 VanDerWaalsContact CA-O 3.29Å; Y195-A220 WeakPolarHBondContact CA-O 3.19Å; C196-A220 PolarHBondContact N-O 2.81Å; C196-A220 PolarHBondContact O-N 3.1Å; Y218-A220 PolarHBondContact O-N 3.24Å; A220-K226 HydrophobicContact CB-CD 4.01Å; A220-K226 VanDerWaalsContact CB-CE 3.48Å |
| 221 | R | 93.7 | Very high | 94.1 | Very high | 128 Ų | 128 | 47.6 Ų | 47.6 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 137.2 | 165.4 | -81 | -173.4 | 161.8 | -164.2 | -7.7 | 109.1 | Y195 K226 | Y195-R221 HydrophobicContact CD1-CG 4.2Å; Y195-R221 HydrophobicContact CE1-CG 3.7Å; Y195-R221 HydrophobicContact CE2-CG 4.13Å; Y195-R221 PolarHBondContact OH-NE 3.25Å; R221-K226 VanDerWaalsContact O-CD 3.25Å; R221-K226 WeakPolarHBondContact O-CD 3.34Å; R221-K226 WeakPolarHBondContact O-CE 2.94Å |
| 222 | M | 94.8 | Very high | 93.8 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 14% | 0.138 | 24% | 0.239 | C | C | . | . | trans | -67.9 | 137 | 174.5 | -171.8 | 63.7 | 95.3 | 0 | 0 | 109.7 | H183 E194 C196 K226 F230 W273 | H183-M222 HydrophobicContact CB-CE 3.82Å; E194-M222 HydrophobicContact CB-CB 3.9Å; E194-M222 HydrophobicContact CG-CB 3.67Å; E194-M222 HydrophobicContact CG-CG 4.22Å; E194-M222 PolarHBondContact O-N 3.16Å; C196-M222 HydrophobicContact CB-CB 4.48Å; C196-M222 HydrophobicContact CB-CE 3.51Å; C196-M222 HydrophobicContact CB-SD 3.92Å; M222-K226 HydrophobicContact SD-CB 4.02Å; M222-F230 HydrophobicContact CE-CD2 4.06Å; M222-F230 HydrophobicContact CE-CE2 4.19Å; M222-W273 HydrophobicContact CE-CH2 3.66Å; M222-W273 HydrophobicContact CE-CZ2 3.98Å; M222-W273 HydrophobicContact CE-CZ3 4.5Å | ||
| 223 | D | 94.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 35% | 0.348 | 22% | 0.223 | S | C | . | . | trans | -145.2 | 175.2 | 171.4 | 58.9 | 35.5 | 0 | 0 | 0 | 109.6 | E225 K226 E227 | D223-E225 PolarHBondContact O-N 2.92Å; D223-E225 WeakPolarHBondContact OD1-CB 3.21Å; D223-E225 PolarHBondContact OD1-N 3.28Å; D223-E225 VanDerWaalsContact OD1-N 3.16Å; D223-K226 PolarHBondContact O-N 3.42Å; D223-K226 VanDerWaalsContact OD1-CG 3.31Å; D223-K226 WeakPolarHBondContact OD1-CG 3.48Å; D223-K226 PolarHBondContact OD1-N 2.66Å; D223-K226 IonicContact OD1-NZ 3.88Å; D223-K226 PolarHBondContact OD1-NZ 3.18Å; D223-K226 IonicContact OD2-NZ 3.05Å; D223-K226 PolarHBondContact OD2-NZ 3.27Å; D223-E227 WeakPolarHBondContact O-CB 3.31Å; D223-E227 PolarHBondContact O-N 3.21Å | ||
| 224 | I | 94.2 | Very high | 93 | Very high | 161 Ų | 161 | 52.5 Ų | 52.5 | 83% | 0.826 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.5 | -27.8 | -175.7 | -158.4 | 164.4 | 0 | 0 | 0 | 113 | G228 | I224-G228 PolarHBondContact O-N 3.41Å |
| 225 | E | 94.6 | Very high | 92.6 | Very high | 103 Ų | 103 | 60.4 Ų | 60.4 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.1 | -50.1 | 178.5 | 177.1 | 176.5 | -158.4 | 0 | 0 | 110.2 | D223 E227 G228 W229 | D223-E225 PolarHBondContact O-N 2.92Å; D223-E225 WeakPolarHBondContact OD1-CB 3.21Å; D223-E225 PolarHBondContact OD1-N 3.28Å; D223-E225 VanDerWaalsContact OD1-N 3.16Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 2.7Å; E225-G228 WeakPolarHBondContact O-CA 3.45Å; E225-G228 PolarHBondContact O-N 3.17Å; E225-G228 VanDerWaalsContact O-N 3.08Å; E225-W229 HydrophobicContact CG-CZ2 3.87Å; E225-W229 VanDerWaalsContact CG-NE1 3.3Å; E225-W229 PolarHBondContact O-N 3.41Å; E225-W229 VanDerWaalsContact OE1-CZ2 3.24Å; E225-W229 WeakPolarHBondContact OE1-CZ2 2.93Å |
| 226 | K | 94.7 | Very high | 91.9 | Very high | 24 Ų | 24 | 62.3 Ų | 62.3 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 179.6 | -64.2 | 173.4 | -174.3 | 56.4 | 0 | 112.2 | W160 A220 R221 M222 D223 G228 W229 F230 | W160-K226 HydrophobicContact CH2-CD 4.27Å; W160-K226 HydrophobicContact CH2-CG 4.47Å; W160-K226 HydrophobicContact CZ2-CB 4.05Å; W160-K226 HydrophobicContact CZ2-CD 3.6Å; W160-K226 HydrophobicContact CZ2-CG 3.54Å; A220-K226 HydrophobicContact CB-CD 4.01Å; A220-K226 VanDerWaalsContact CB-CE 3.48Å; R221-K226 VanDerWaalsContact O-CD 3.25Å; R221-K226 WeakPolarHBondContact O-CD 3.34Å; R221-K226 WeakPolarHBondContact O-CE 2.94Å; M222-K226 HydrophobicContact SD-CB 4.02Å; D223-K226 PolarHBondContact O-N 3.42Å; D223-K226 VanDerWaalsContact OD1-CG 3.31Å; D223-K226 WeakPolarHBondContact OD1-CG 3.48Å; D223-K226 PolarHBondContact OD1-N 2.66Å; D223-K226 IonicContact OD1-NZ 3.88Å; D223-K226 PolarHBondContact OD1-NZ 3.18Å; D223-K226 IonicContact OD2-NZ 3.05Å; D223-K226 PolarHBondContact OD2-NZ 3.27Å; K226-G228 VanDerWaalsContact C-N 3.34Å; K226-W229 WeakPolarHBondContact O-CB 3.49Å; K226-W229 PolarHBondContact O-N 3.12Å; K226-F230 PolarHBondContact O-N 3.44Å |
| 227 | E | 93.3 | Very high | 90.6 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -49.7 | 169.5 | 179.6 | 56.9 | -145.2 | 0 | 0 | 110.9 | D223 E225 W229 F230 Q231 W273 | D223-E227 WeakPolarHBondContact O-CB 3.31Å; D223-E227 PolarHBondContact O-N 3.21Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 2.7Å; E227-W229 VanDerWaalsContact C-N 3.31Å; E227-W229 PolarHBondContact O-N 2.91Å; E227-F230 PolarHBondContact O-N 2.92Å; E227-Q231 WeakPolarHBondContact O-CG 3.37Å; E227-Q231 PolarHBondContact O-N 3.38Å; E227-Q231 PolarHBondContact OE1-NE2 3.4Å; E227-W273 WeakPolarHBondContact OE2-CH2 3.39Å; E227-W273 WeakPolarHBondContact OE2-CZ2 3.47Å |
| 228 | G | 93.8 | Very high | 89.5 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I224 E225 K226 Q231 M232 | I224-G228 PolarHBondContact O-N 3.41Å; E225-G228 WeakPolarHBondContact O-CA 3.45Å; E225-G228 PolarHBondContact O-N 3.17Å; E225-G228 VanDerWaalsContact O-N 3.08Å; K226-G228 VanDerWaalsContact C-N 3.34Å; G228-Q231 PolarHBondContact O-N 2.98Å; G228-M232 WeakPolarHBondContact O-CB 3.35Å; G228-M232 PolarHBondContact O-N 3.38Å |
| 229 | W | 94.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 176.8 | -63.7 | 9.3 | 0 | 0 | 0 | 111.8 | W160 P161 Q164 F167 E225 K226 E227 M232 A233 | W160-W229 HydrophobicContact CZ2-CE3 4.22Å; W160-W229 HydrophobicContact CZ2-CZ3 4.41Å; W160-W229 AromaticContact NE1-CE3 3.95Å; W160-W229 AromaticContact NE1-CZ3 3.29Å; W160-W229 VanDerWaalsContact NE1-CZ3 3.29Å; P161-W229 HydrophobicContact CB-CZ3 4.26Å; P161-W229 VanDerWaalsContact O-CH2 3.3Å; P161-W229 WeakPolarHBondContact O-CH2 3.39Å; P161-W229 WeakPolarHBondContact O-CZ3 3.04Å; Q164-W229 HydrophobicContact CB-CD2 4.41Å; Q164-W229 HydrophobicContact CB-CZ2 4.22Å; Q164-W229 HydrophobicContact CG-CD2 4.48Å; Q164-W229 HydrophobicContact CG-CG 4.12Å; F167-W229 HydrophobicContact CB-CD2 4.39Å; F167-W229 HydrophobicContact CB-CE3 3.76Å; F167-W229 HydrophobicContact CB-CZ3 4.04Å; F167-W229 HydrophobicContact CD1-CB 3.91Å; F167-W229 HydrophobicContact CD1-CE3 4.3Å; F167-W229 HydrophobicContact CD1-CG 4.47Å; F167-W229 AromaticContact CD2-CE3 3.75Å; F167-W229 HydrophobicContact CD2-CE3 3.75Å; F167-W229 HydrophobicContact CD2-CZ3 4.3Å; F167-W229 HydrophobicContact CE1-CB 3.84Å; F167-W229 WeakPolarHBondContact CE1-O 3.24Å; F167-W229 HydrophobicContact CE2-CE3 4.44Å; F167-W229 HydrophobicContact CG-CB 4.44Å; F167-W229 HydrophobicContact CG-CD2 4.35Å; F167-W229 AromaticContact CG-CE3 3.69Å; F167-W229 HydrophobicContact CG-CE3 3.69Å; F167-W229 HydrophobicContact CG-CZ3 4.35Å; F167-W229 HydrophobicContact CZ-CB 4.35Å; E225-W229 HydrophobicContact CG-CZ2 3.87Å; E225-W229 VanDerWaalsContact CG-NE1 3.3Å; E225-W229 PolarHBondContact O-N 3.41Å; E225-W229 VanDerWaalsContact OE1-CZ2 3.24Å; E225-W229 WeakPolarHBondContact OE1-CZ2 2.93Å; K226-W229 WeakPolarHBondContact O-CB 3.49Å; K226-W229 PolarHBondContact O-N 3.12Å; E227-W229 VanDerWaalsContact C-N 3.31Å; E227-W229 PolarHBondContact O-N 2.91Å; W229-M232 WeakPolarHBondContact O-CB 3.38Å; W229-M232 PolarHBondContact O-N 3.26Å; W229-A233 PolarHBondContact O-N 2.82Å |
| 230 | F | 93.6 | Very high | 89 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 178.4 | -80.1 | 12.6 | 0 | 0 | 0 | 111.6 | W160 F167 L181 C196 G197 V198 M222 K226 E227 M232 A233 R234 W273 | W160-F230 AromaticContact CH2-CE1 3.68Å; W160-F230 HydrophobicContact CH2-CE1 3.68Å; W160-F230 AromaticContact CH2-CZ 3.84Å; W160-F230 HydrophobicContact CH2-CZ 3.84Å; W160-F230 HydrophobicContact CZ2-CE1 4.37Å; F167-F230 HydrophobicContact CE1-CD1 4.46Å; F167-F230 HydrophobicContact CE2-CD1 4.31Å; F167-F230 AromaticContact CE2-CE1 3.97Å; F167-F230 HydrophobicContact CE2-CE1 3.97Å; F167-F230 AromaticContact CZ-CD1 3.68Å; F167-F230 HydrophobicContact CZ-CD1 3.68Å; F167-F230 AromaticContact CZ-CE1 3.75Å; F167-F230 HydrophobicContact CZ-CE1 3.75Å; L181-F230 HydrophobicContact CB-CD2 4.13Å; L181-F230 HydrophobicContact CB-CE2 4.04Å; L181-F230 HydrophobicContact CB-CG 4.39Å; L181-F230 HydrophobicContact CB-CZ 4.31Å; L181-F230 HydrophobicContact CD1-CB 4.16Å; L181-F230 HydrophobicContact CD1-CD1 4.31Å; L181-F230 HydrophobicContact CD1-CG 4.14Å; L181-F230 HydrophobicContact CD2-CD1 4.22Å; L181-F230 HydrophobicContact CD2-CE1 4.05Å; L181-F230 HydrophobicContact CD2-CZ 4.34Å; C196-F230 HydrophobicContact CB-CE2 3.77Å; C196-F230 HydrophobicContact CB-CZ 4.02Å; G197-F230 WeakPolarHBondContact O-CZ 3.33Å; V198-F230 HydrophobicContact CG2-CE1 3.68Å; V198-F230 HydrophobicContact CG2-CZ 3.85Å; M222-F230 HydrophobicContact CE-CD2 4.06Å; M222-F230 HydrophobicContact CE-CE2 4.19Å; K226-F230 PolarHBondContact O-N 3.44Å; E227-F230 PolarHBondContact O-N 2.92Å; F230-M232 PolarHBondContact O-N 2.87Å; F230-A233 PolarHBondContact O-N 3.21Å; F230-R234 WeakPolarHBondContact O-CG 3.28Å; F230-R234 PolarHBondContact O-N 3.18Å; F230-W273 HydrophobicContact CB-CH2 4.26Å; F230-W273 HydrophobicContact CB-CZ3 4.01Å; F230-W273 AromaticContact CD2-CH2 3.8Å; F230-W273 HydrophobicContact CD2-CH2 3.8Å; F230-W273 AromaticContact CD2-CZ3 3.46Å; F230-W273 HydrophobicContact CD2-CZ3 3.46Å; F230-W273 VanDerWaalsContact CD2-CZ3 3.46Å; F230-W273 HydrophobicContact CE2-CZ3 4.37Å; F230-W273 HydrophobicContact CG-CZ3 4.23Å |
| 231 | Q | 90.8 | Very high | 88.9 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.1 | -34.8 | 172.6 | -69.2 | 178.3 | 11.9 | 0 | 0 | 112.5 | E227 G228 | E227-Q231 WeakPolarHBondContact O-CG 3.37Å; E227-Q231 PolarHBondContact O-N 3.38Å; E227-Q231 PolarHBondContact OE1-NE2 3.4Å; G228-Q231 PolarHBondContact O-N 2.98Å |
| 232 | M | 90.3 | Very high | 88.9 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 28% | 0.276 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.4 | -45.9 | 176 | -175.8 | -178.5 | -60 | 0 | 0 | 112.6 | Q164 C168 G228 W229 F230 R234 K235 I236 | Q164-M232 HydrophobicContact CG-CE 4.19Å; Q164-M232 HydrophobicContact CG-SD 4.02Å; Q164-M232 PolarHBondContact NE2-SD 3.22Å; Q164-M232 VanDerWaalsContact NE2-SD 3.43Å; C168-M232 PolarHBondContact SG-SD 3.5Å; G228-M232 WeakPolarHBondContact O-CB 3.35Å; G228-M232 PolarHBondContact O-N 3.38Å; W229-M232 WeakPolarHBondContact O-CB 3.38Å; W229-M232 PolarHBondContact O-N 3.26Å; F230-M232 PolarHBondContact O-N 2.87Å; M232-R234 PolarHBondContact O-N 2.7Å; M232-K235 WeakPolarHBondContact O-CA 3.41Å; M232-K235 WeakPolarHBondContact O-CB 3.06Å; M232-K235 PolarHBondContact O-N 3.48Å; M232-I236 HydrophobicContact CG-CD1 3.44Å; M232-I236 VanDerWaalsContact CG-CD1 3.44Å; M232-I236 HydrophobicContact CG-CG1 3.97Å; M232-I236 WeakPolarHBondContact O-CG1 3.3Å; M232-I236 PolarHBondContact O-N 3.01Å; M232-I236 VanDerWaalsContact O-N 3.13Å; M232-I236 HydrophobicContact SD-CD1 3.77Å |
| 233 | A | 90.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.4 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F167 I171 L181 W229 F230 K235 I236 | F167-A233 HydrophobicContact CE1-CB 3.78Å; F167-A233 HydrophobicContact CZ-CB 4.31Å; I171-A233 HydrophobicContact CG1-CB 4.16Å; I171-A233 HydrophobicContact CG2-CB 4.01Å; L181-A233 HydrophobicContact CD1-CB 3.94Å; W229-A233 PolarHBondContact O-N 2.82Å; F230-A233 PolarHBondContact O-N 3.21Å; A233-K235 PolarHBondContact O-N 3.19Å; A233-K235 VanDerWaalsContact O-N 3.15Å; A233-I236 PolarHBondContact O-N 2.82Å |
| 234 | R | 85.3 | Confident | 88.8 | Confident | 140 Ų | 140 | 68 Ų | 68 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -17.5 | 174.5 | -67.8 | 174.5 | 74.7 | 167.9 | 5.1 | 113.7 | L181 F230 M232 V242 | L181-R234 HydrophobicContact CD1-CG 4.22Å; F230-R234 WeakPolarHBondContact O-CG 3.28Å; F230-R234 PolarHBondContact O-N 3.18Å; M232-R234 PolarHBondContact O-N 2.7Å; R234-V242 HydrophobicContact CG-CG1 4.3Å |
| 235 | K | 86.1 | Confident | 88.9 | Confident | 170 Ų | 170 | 60.7 Ų | 60.7 | 74% | 0.739 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -102.9 | -26.9 | -179.1 | -63.4 | 175.3 | -176 | 175 | 0 | 113.8 | M232 A233 | M232-K235 WeakPolarHBondContact O-CA 3.41Å; M232-K235 WeakPolarHBondContact O-CB 3.06Å; M232-K235 PolarHBondContact O-N 3.48Å; A233-K235 PolarHBondContact O-N 3.19Å; A233-K235 VanDerWaalsContact O-N 3.15Å |
| 236 | I | 80.6 | Confident | 89 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 33% | 0.333 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -77.6 | -34.9 | -170.3 | -71.7 | 173.2 | 0 | 0 | 0 | 113 | C168 S172 M232 A233 P238 | C168-I236 HydrophobicContact CB-CD1 3.95Å; C168-I236 WeakPolarHBondContact SG-CD1 3.37Å; S172-I236 VanDerWaalsContact OG-CG2 3.24Å; S172-I236 WeakPolarHBondContact OG-CG2 3.13Å; M232-I236 HydrophobicContact CG-CD1 3.44Å; M232-I236 VanDerWaalsContact CG-CD1 3.44Å; M232-I236 HydrophobicContact CG-CG1 3.97Å; M232-I236 WeakPolarHBondContact O-CG1 3.3Å; M232-I236 PolarHBondContact O-N 3.01Å; M232-I236 VanDerWaalsContact O-N 3.13Å; M232-I236 HydrophobicContact SD-CD1 3.77Å; A233-I236 PolarHBondContact O-N 2.82Å; I236-P238 VanDerWaalsContact C-CD 3.49Å; I236-P238 WeakPolarHBondContact O-CD 3.13Å |
| 237 | S | 67.4 | Low | 89.1 | Confident | 16 Ų | 16 | 57 Ų | 57 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | trans | -113.2 | 78.9 | -169.7 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | D239 I240 | S237-D239 PolarHBondContact O-N 3.45Å; S237-I240 PolarHBondContact O-N 2.97Å; S237-I240 VanDerWaalsContact O-O 3.05Å | ||
| 238 | P | 70.8 | Confident | 89.2 | Confident | 116 Ų | 116 | 57.8 Ų | 57.8 | 75% | 0.753 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -27.1 | 178 | 26.5 | -33.8 | 0 | 0 | 0 | 112.8 | I236 | I236-P238 VanDerWaalsContact C-CD 3.49Å; I236-P238 WeakPolarHBondContact O-CD 3.13Å |
| 239 | D | 83 | Confident | 89.1 | Confident | 153 Ų | 153 | 60.1 Ų | 60.1 | 82% | 0.818 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -14.4 | -175.9 | -58.6 | -37.9 | 0 | 0 | 0 | 113.8 | S237 | S237-D239 PolarHBondContact O-N 3.45Š|
| 240 | I | 89.1 | Confident | 89 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -111.6 | 120.9 | -178.5 | -52 | 174.9 | 0 | 0 | 0 | 107.8 | N176 I179 S237 V242 | N176-I240 HydrophobicContact CB-CD1 4.13Å; N176-I240 HydrophobicContact CB-CG2 4.42Å; I179-I240 HydrophobicContact CD1-CG2 4.08Å; I179-I240 HydrophobicContact CG1-CG2 4.1Å; S237-I240 PolarHBondContact O-N 2.97Å; S237-I240 VanDerWaalsContact O-O 3.05Å; I240-V242 WeakPolarHBondContact O-CG2 3.25Å; I240-V242 PolarHBondContact O-N 2.81Å; I240-V242 VanDerWaalsContact O-N 3.11Å |
| 241 | P | 91.6 | Very high | 89 | Confident | 77 Ų | 77 | 64 Ų | 64 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | trans | -55.2 | 119.4 | 173.5 | -25.3 | 34 | 0 | 0 | 0 | 111.4 | M177 I179 | M177-P241 WeakPolarHBondContact O-CD 3.23Å; I179-P241 PolarHBondContact N-O 3.27Å | ||
| 242 | V | 93.3 | Very high | 89.2 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.9 | 173.1 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | I179 L181 R234 I240 | I179-V242 HydrophobicContact CB-CG1 4.49Å; I179-V242 HydrophobicContact CB-CG2 4.28Å; I179-V242 HydrophobicContact CD1-CG2 4.38Å; I179-V242 HydrophobicContact CG2-CG1 4.33Å; I179-V242 WeakPolarHBondContact O-CA 3.27Å; L181-V242 HydrophobicContact CD1-CG1 3.67Å; L181-V242 HydrophobicContact CG-CG1 3.85Å; R234-V242 HydrophobicContact CG-CG1 4.3Å; I240-V242 WeakPolarHBondContact O-CG2 3.25Å; I240-V242 PolarHBondContact O-N 2.81Å; I240-V242 VanDerWaalsContact O-N 3.11Å |
| 243 | R | 93.4 | Very high | 89.3 | Confident | 85 Ų | 85 | 59.3 Ų | 59.3 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.6 | 177.7 | -66 | -178.5 | -74.5 | 157.9 | -7.4 | 110.2 | D178 I179 I180 L181 V245 F266 | D178-R243 IonicContact OD1-NE 3.51Å; D178-R243 IonicContact OD1-NH2 3.65Å; D178-R243 IonicContact OD2-CZ 3.68Å; D178-R243 IonicContact OD2-NE 3.85Å; D178-R243 IonicContact OD2-NH2 2.79Å; D178-R243 PolarHBondContact OD2-NH2 3.15Å; I179-R243 PolarHBondContact O-N 3.36Å; I180-R243 WeakPolarHBondContact CA-O 3.5Å; L181-R243 PolarHBondContact N-O 3.16Å; R243-V245 HydrophobicContact CB-CG1 4.24Å; R243-F266 VanDerWaalsContact NH2-CD1 3.35Å |
| 244 | A | 94.4 | Very high | 89.4 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | L181 W273 | L181-A244 CarbonylContact O-C 3.41Å; L181-A244 WeakPolarHBondContact O-CA 3.32Å; A244-W273 HydrophobicContact CB-CB 4.05Å; A244-W273 HydrophobicContact CB-CE3 3.86Å; A244-W273 PolarHBondContact O-N 3.2Å |
| 245 | V | 96.5 | Very high | 89.7 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.7 | -170.8 | -57 | 0 | 0 | 0 | 0 | 113.3 | I180 L181 W182 H183 R243 L247 L270 S271 | I180-V245 HydrophobicContact CG2-CG2 3.43Å; I180-V245 VanDerWaalsContact CG2-CG2 3.43Å; L181-V245 PolarHBondContact O-N 3.44Å; W182-V245 VanDerWaalsContact CA-O 3.3Å; W182-V245 WeakPolarHBondContact CA-O 3.41Å; W182-V245 HydrophobicContact CB-CG2 3.72Å; H183-V245 PolarHBondContact CD2-O 3.44Å; H183-V245 VanDerWaalsContact CD2-O 3.23Å; H183-V245 PolarHBondContact N-O 3.06Å; H183-V245 VanDerWaalsContact N-O 3.09Å; R243-V245 HydrophobicContact CB-CG1 4.24Å; V245-L247 HydrophobicContact CG2-CD2 4.3Å; V245-L270 HydrophobicContact CB-CB 4.07Å; V245-L270 HydrophobicContact CB-CD1 4.32Å; V245-L270 HydrophobicContact CG1-CB 3.95Å; V245-L270 HydrophobicContact CG1-CD1 4.22Å; V245-L270 HydrophobicContact CG2-CB 4.5Å; V245-L270 HydrophobicContact CG2-CD1 3.9Å; V245-S271 CarbonylContact C-O 3.52Å; V245-S271 WeakPolarHBondContact CA-O 3.36Å; V245-S271 VanDerWaalsContact CB-O 3.31Å; V245-S271 WeakPolarHBondContact CB-O 3.45Å |
| 246 | T | 96.8 | Very high | 89.9 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 27% | 0.27 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.2 | 168.2 | -47.7 | 0 | 0 | 0 | 0 | 109.6 | H183 S271 | H183-T246 PolarHBondContact CE1-OG1 2.87Å; H183-T246 WeakPolarHBondContact NE2-CB 3.29Å; H183-T246 PolarHBondContact NE2-OG1 3.28Å; T246-S271 PolarHBondContact N-O 3.42Å |
| 247 | L | 96.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -84 | 144.6 | 172.2 | -64.4 | -175.2 | 0 | 0 | 0 | 110.8 | W182 H183 V245 Q251 A252 L255 L265 L270 | W182-L247 HydrophobicContact CB-CD1 3.95Å; W182-L247 HydrophobicContact CB-CG 3.89Å; W182-L247 HydrophobicContact CD2-CD1 3.59Å; W182-L247 HydrophobicContact CD2-CG 4.33Å; W182-L247 HydrophobicContact CE3-CD1 3.69Å; W182-L247 HydrophobicContact CE3-CG 4.24Å; W182-L247 HydrophobicContact CG-CD1 3.72Å; W182-L247 HydrophobicContact CG-CG 4.22Å; W182-L247 HydrophobicContact CZ3-CD1 4.45Å; H183-L247 PolarHBondContact O-N 3.02Å; V245-L247 HydrophobicContact CG2-CD2 4.3Å; L247-Q251 HydrophobicContact CB-CB 4.05Å; L247-Q251 HydrophobicContact CD1-CB 4.45Å; L247-Q251 HydrophobicContact CD2-CB 4.35Å; L247-A252 HydrophobicContact CB-CB 4.11Å; L247-A252 HydrophobicContact CD1-CB 4.48Å; L247-L255 HydrophobicContact CD1-CD2 4.28Å; L247-L265 HydrophobicContact CD1-CD1 4.12Å; L247-L265 HydrophobicContact CD2-CD1 4.5Å; L247-L265 HydrophobicContact CD2-CD2 4.24Å; L247-L270 HydrophobicContact CD2-CD1 4.2Å; L247-L270 HydrophobicContact CD2-CD2 3.75Å |
| 248 | T | 94.5 | Very high | 91.4 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 155.6 | 166.5 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | A250 Q251 A252 | T248-A250 PolarHBondContact O-N 2.87Å; T248-Q251 PolarHBondContact O-N 3.5Å; T248-Q251 VanDerWaalsContact O-N 3.12Å; T248-Q251 WeakPolarHBondContact OG1-CB 3.36Å; T248-Q251 VanDerWaalsContact OG1-CG 3.23Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.12Å; T248-Q251 PolarHBondContact OG1-N 3.46Å; T248-Q251 PolarHBondContact OG1-OE1 2.91Å; T248-A252 PolarHBondContact O-N 3.21Å |
| 249 | P | 93.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 51% | 0.506 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -50.7 | -43.4 | 177.2 | -30.5 | 36.7 | 0 | 0 | 0 | 113.2 | F185 A252 E253 | F185-P249 WeakPolarHBondContact O-CB 3.25Å; P249-A252 PolarHBondContact O-N 3Å; P249-E253 VanDerWaalsContact O-CB 3.27Å; P249-E253 WeakPolarHBondContact O-CB 3.24Å; P249-E253 PolarHBondContact O-N 3.39Å |
| 250 | A | 91.9 | Very high | 92.7 | Very high | 44 Ų | 44 | 43 Ų | 43 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.3 | -45 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | T248 E253 Y254 | T248-A250 PolarHBondContact O-N 2.87Å; A250-E253 PolarHBondContact O-N 3.27Å; A250-Y254 VanDerWaalsContact O-CB 3.27Å; A250-Y254 WeakPolarHBondContact O-CB 3.45Å; A250-Y254 WeakPolarHBondContact O-CD1 3.14Å; A250-Y254 PolarHBondContact O-N 3.02Å |
| 251 | Q | 94.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 177.2 | -74.7 | 164.6 | -30 | 0 | 0 | 111.5 | L247 T248 Y254 L255 L265 | L247-Q251 HydrophobicContact CB-CB 4.05Å; L247-Q251 HydrophobicContact CD1-CB 4.45Å; L247-Q251 HydrophobicContact CD2-CB 4.35Å; T248-Q251 PolarHBondContact O-N 3.5Å; T248-Q251 VanDerWaalsContact O-N 3.12Å; T248-Q251 WeakPolarHBondContact OG1-CB 3.36Å; T248-Q251 VanDerWaalsContact OG1-CG 3.23Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.12Å; T248-Q251 PolarHBondContact OG1-N 3.46Å; T248-Q251 PolarHBondContact OG1-OE1 2.91Å; Q251-Y254 PolarHBondContact O-N 2.89Å; Q251-L255 WeakPolarHBondContact O-CB 3.46Å; Q251-L255 PolarHBondContact O-N 3.25Å; Q251-L265 HydrophobicContact CB-CD2 4.36Å; Q251-L265 HydrophobicContact CG-CD2 4.25Å |
| 252 | A | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W182 P186 L247 T248 P249 Y254 L255 I256 | W182-A252 HydrophobicContact CZ3-CB 4.11Å; P186-A252 HydrophobicContact CB-CB 3.87Å; P186-A252 HydrophobicContact CG-CB 4.47Å; L247-A252 HydrophobicContact CB-CB 4.11Å; L247-A252 HydrophobicContact CD1-CB 4.48Å; T248-A252 PolarHBondContact O-N 3.21Å; P249-A252 PolarHBondContact O-N 3Å; A252-Y254 VanDerWaalsContact C-N 3.34Å; A252-Y254 PolarHBondContact O-N 3.21Å; A252-L255 PolarHBondContact O-N 3.21Å; A252-I256 WeakPolarHBondContact O-CB 3.44Å; A252-I256 WeakPolarHBondContact O-CD1 3.44Å; A252-I256 WeakPolarHBondContact O-CG1 3.4Å; A252-I256 PolarHBondContact O-N 2.82Å |
| 253 | E | 93 | Very high | 93 | Very high | 57 Ų | 57 | 37.1 Ų | 37.1 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.4 | -47 | 177.2 | -170.6 | -149.6 | 134.4 | 0 | 0 | 110.8 | P186 F187 P249 A250 L255 I256 T257 K259 | P186-E253 HydrophobicContact CB-CB 4.1Å; F187-E253 HydrophobicContact CD1-CG 4.39Å; F187-E253 HydrophobicContact CE1-CG 3.8Å; P249-E253 VanDerWaalsContact O-CB 3.27Å; P249-E253 WeakPolarHBondContact O-CB 3.24Å; P249-E253 PolarHBondContact O-N 3.39Å; A250-E253 PolarHBondContact O-N 3.27Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 3.24Å; E253-I256 PolarHBondContact O-N 3.06Å; E253-T257 HydrophobicContact CG-CG2 4.32Å; E253-T257 WeakPolarHBondContact O-CB 3.33Å; E253-T257 WeakPolarHBondContact O-CG2 3.2Å; E253-T257 PolarHBondContact O-N 3.01Å; E253-T257 PolarHBondContact O-OG1 3.29Å; E253-K259 IonicContact OE1-NZ 2.69Å; E253-K259 PolarHBondContact OE1-NZ 2.94Å |
| 254 | Y | 91.9 | Very high | 93 | Very high | 101 Ų | 101 | 35 Ų | 35 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.8 | -36 | -177 | -70.9 | 0.7 | 0 | 0 | 0 | 112.4 | A250 Q251 A252 G258 K259 I260 | A250-Y254 VanDerWaalsContact O-CB 3.27Å; A250-Y254 WeakPolarHBondContact O-CB 3.45Å; A250-Y254 WeakPolarHBondContact O-CD1 3.14Å; A250-Y254 PolarHBondContact O-N 3.02Å; Q251-Y254 PolarHBondContact O-N 2.89Å; A252-Y254 VanDerWaalsContact C-N 3.34Å; A252-Y254 PolarHBondContact O-N 3.21Å; Y254-G258 CarbonylContact O-C 3.59Å; Y254-G258 PolarHBondContact O-N 2.92Å; Y254-G258 VanDerWaalsContact O-N 3.14Å; Y254-K259 HydrophobicContact CD1-CB 4.41Å; Y254-K259 HydrophobicContact CD1-CD 3.56Å; Y254-K259 HydrophobicContact CE1-CD 3.98Å; Y254-K259 HydrophobicContact CG-CB 4.24Å; Y254-K259 HydrophobicContact CG-CD 4.23Å; Y254-K259 PolarHBondContact O-N 2.96Å; Y254-I260 HydrophobicContact CD2-CG2 4.02Å; Y254-I260 HydrophobicContact CG-CG2 4.39Å |
| 255 | L | 92 | Very high | 93 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.9 | -46.3 | 173.9 | -172.9 | 66.5 | 0 | 0 | 0 | 111.2 | L154 W182 L199 L247 Q251 A252 E253 T257 G258 I260 P262 L265 | L154-L255 HydrophobicContact CD1-CD1 4.46Å; W182-L255 HydrophobicContact CD2-CD2 4.31Å; W182-L255 VanDerWaalsContact CE2-CD2 3.46Å; W182-L255 HydrophobicContact CZ2-CD2 3.65Å; W182-L255 HydrophobicContact CZ2-CG 4.49Å; W182-L255 VanDerWaalsContact NE1-CD2 3.26Å; L199-L255 HydrophobicContact CD1-CD2 4.37Å; L199-L255 HydrophobicContact CD2-CD1 4.25Å; L199-L255 HydrophobicContact CD2-CD2 4.04Å; L247-L255 HydrophobicContact CD1-CD2 4.28Å; Q251-L255 WeakPolarHBondContact O-CB 3.46Å; Q251-L255 PolarHBondContact O-N 3.25Å; A252-L255 PolarHBondContact O-N 3.21Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 3.24Å; L255-T257 PolarHBondContact O-N 3.32Å; L255-G258 PolarHBondContact O-N 2.78Å; L255-I260 HydrophobicContact CB-CD1 4.46Å; L255-P262 HydrophobicContact CD1-CB 4.17Å; L255-P262 HydrophobicContact CD1-CG 3.98Å; L255-L265 HydrophobicContact CD1-CD1 4.2Å; L255-L265 HydrophobicContact CD2-CD1 3.83Å; L255-L265 HydrophobicContact CG-CD1 4.44Å |
| 256 | I | 90.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 35.5 Ų | 35.5 | 22% | 0.221 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 179.2 | -69.7 | 164.9 | 0 | 0 | 0 | 111.8 | W182 P186 F187 Y195 P219 A252 E253 G258 | W182-I256 HydrophobicContact CH2-CD1 4.05Å; W182-I256 HydrophobicContact CH2-CG1 3.95Å; P186-I256 HydrophobicContact CB-CD1 3.84Å; P186-I256 HydrophobicContact CG-CD1 3.51Å; F187-I256 HydrophobicContact CE2-CD1 4.28Å; F187-I256 HydrophobicContact CE2-CG2 4.37Å; F187-I256 HydrophobicContact CZ-CD1 4.5Å; F187-I256 HydrophobicContact CZ-CG2 4.02Å; Y195-I256 HydrophobicContact CD1-CD1 4.2Å; Y195-I256 HydrophobicContact CG-CD1 4.08Å; P219-I256 HydrophobicContact CB-CD1 4.49Å; P219-I256 HydrophobicContact CB-CG1 3.75Å; P219-I256 HydrophobicContact CG-CB 4.49Å; P219-I256 HydrophobicContact CG-CG1 3.77Å; A252-I256 WeakPolarHBondContact O-CB 3.44Å; A252-I256 WeakPolarHBondContact O-CD1 3.44Å; A252-I256 WeakPolarHBondContact O-CG1 3.4Å; A252-I256 PolarHBondContact O-N 2.82Å; E253-I256 PolarHBondContact O-N 3.06Å; I256-G258 PolarHBondContact O-N 2.98Å |
| 257 | T | 88.8 | Confident | 92.5 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.3 | -179.5 | 56.8 | 0 | 0 | 0 | 0 | 113 | E253 L255 K259 | E253-T257 HydrophobicContact CG-CG2 4.32Å; E253-T257 WeakPolarHBondContact O-CB 3.33Å; E253-T257 WeakPolarHBondContact O-CG2 3.2Å; E253-T257 PolarHBondContact O-N 3.01Å; E253-T257 PolarHBondContact O-OG1 3.29Å; L255-T257 PolarHBondContact O-N 3.32Å; T257-K259 VanDerWaalsContact C-N 3.27Å; T257-K259 PolarHBondContact O-N 3.37Å; T257-K259 VanDerWaalsContact OG1-CD 3.23Å; T257-K259 WeakPolarHBondContact OG1-CD 3.36Å; T257-K259 WeakPolarHBondContact OG1-CE 3.31Å; T257-K259 VanDerWaalsContact OG1-CG 3.27Å; T257-K259 WeakPolarHBondContact OG1-CG 3.22Å |
| 258 | G | 89.3 | Confident | 92.1 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 12.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y152 P153 Y254 L255 I256 I260 | Y152-G258 WeakPolarHBondContact CB-O 3.37Å; P153-G258 WeakPolarHBondContact CD-O 3.48Å; P153-G258 VanDerWaalsContact CG-O 3.32Å; P153-G258 WeakPolarHBondContact CG-O 3.31Å; Y254-G258 CarbonylContact O-C 3.59Å; Y254-G258 PolarHBondContact O-N 2.92Å; Y254-G258 VanDerWaalsContact O-N 3.14Å; L255-G258 PolarHBondContact O-N 2.78Å; I256-G258 PolarHBondContact O-N 2.98Å; G258-I260 VanDerWaalsContact C-N 3.34Å; G258-I260 PolarHBondContact O-N 2.88Å |
| 259 | K | 89.3 | Confident | 91.9 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 30% | 0.3 | 24% | 0.243 | S | C | . | . | trans | -70.4 | -24.6 | -173.3 | -69.3 | 175.3 | -178.1 | 172.8 | 0 | 114.2 | Y152 E253 Y254 T257 | Y152-K259 HydrophobicContact CD1-CB 4.15Å; Y152-K259 HydrophobicContact CD1-CG 3.69Å; Y152-K259 HydrophobicContact CE1-CB 4.32Å; Y152-K259 HydrophobicContact CE1-CD 4.34Å; Y152-K259 HydrophobicContact CE1-CG 3.52Å; Y152-K259 HydrophobicContact CG-CG 4.28Å; E253-K259 IonicContact OE1-NZ 2.69Å; E253-K259 PolarHBondContact OE1-NZ 2.94Å; Y254-K259 HydrophobicContact CD1-CB 4.41Å; Y254-K259 HydrophobicContact CD1-CD 3.56Å; Y254-K259 HydrophobicContact CE1-CD 3.98Å; Y254-K259 HydrophobicContact CG-CB 4.24Å; Y254-K259 HydrophobicContact CG-CD 4.23Å; Y254-K259 PolarHBondContact O-N 2.96Å; T257-K259 VanDerWaalsContact C-N 3.27Å; T257-K259 PolarHBondContact O-N 3.37Å; T257-K259 VanDerWaalsContact OG1-CD 3.23Å; T257-K259 WeakPolarHBondContact OG1-CD 3.36Å; T257-K259 WeakPolarHBondContact OG1-CE 3.31Å; T257-K259 VanDerWaalsContact OG1-CG 3.27Å; T257-K259 WeakPolarHBondContact OG1-CG 3.22Å | ||
| 260 | I | 91.3 | Very high | 91.9 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -120 | 154.6 | -179 | 59.7 | 171 | 0 | 0 | 0 | 111.3 | Y254 L255 G258 L265 | Y254-I260 HydrophobicContact CD2-CG2 4.02Å; Y254-I260 HydrophobicContact CG-CG2 4.39Å; L255-I260 HydrophobicContact CB-CD1 4.46Å; G258-I260 VanDerWaalsContact C-N 3.34Å; G258-I260 PolarHBondContact O-N 2.88Å; I260-L265 HydrophobicContact CD1-CD1 4.42Å; I260-L265 HydrophobicContact CD1-CD2 4.35Å; I260-L265 HydrophobicContact CD1-CG 4.3Å |
| 261 | L | 92.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | trans | -72.3 | 128.2 | 166.9 | -65.5 | 178.3 | 0 | 0 | 0 | 109.8 | H91 A95 L141 P153 T263 A264 | H91-L261 WeakPolarHBondContact CD2-CD1 3.44Å; H91-L261 WeakPolarHBondContact NE2-CD1 3.19Å; A95-L261 HydrophobicContact CB-CD1 3.5Å; L141-L261 HydrophobicContact CD1-CD2 4.49Å; L141-L261 HydrophobicContact CD2-CD2 3.39Å; P153-L261 HydrophobicContact CB-CD2 3.55Å; P153-L261 HydrophobicContact CB-CG 4.47Å; P153-L261 HydrophobicContact CG-CD2 3.95Å; P153-L261 HydrophobicContact CG-CG 4.41Å; L261-T263 HydrophobicContact CB-CG2 3.94Å; L261-T263 PolarHBondContact O-N 3.45Å; L261-T263 VanDerWaalsContact O-N 3.12Å; L261-A264 VanDerWaalsContact O-CB 3.24Å; L261-A264 WeakPolarHBondContact O-CB 3.46Å; L261-A264 PolarHBondContact O-N 3.15Å | ||
| 262 | P | 93.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -56.1 | -31.5 | 179.8 | -29.5 | 36.7 | 0 | 0 | 0 | 114.3 | L154 L199 V214 L255 A264 L265 | L154-P262 HydrophobicContact CD1-CG 3.76Å; L154-P262 HydrophobicContact CD2-CG 3.92Å; L154-P262 HydrophobicContact CG-CG 4.39Å; L199-P262 HydrophobicContact CD1-CB 4.49Å; L199-P262 HydrophobicContact CD2-CB 4.01Å; V214-P262 HydrophobicContact CB-CB 4.14Å; V214-P262 HydrophobicContact CG1-CB 3.59Å; L255-P262 HydrophobicContact CD1-CB 4.17Å; L255-P262 HydrophobicContact CD1-CG 3.98Å; P262-A264 PolarHBondContact O-N 3.32Å; P262-A264 VanDerWaalsContact O-N 3.16Å; P262-L265 PolarHBondContact O-N 3.22Å; P262-L265 VanDerWaalsContact O-N 3.09Å |
| 263 | T | 94.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -57.9 | -26.4 | 176.6 | -172.4 | 0 | 0 | 0 | 0 | 113.2 | A95 L261 L265 F266 | A95-T263 HydrophobicContact CB-CG2 3.68Å; A95-T263 WeakPolarHBondContact O-CG2 3.31Å; A95-T263 PolarHBondContact O-OG1 3.42Å; L261-T263 HydrophobicContact CB-CG2 3.94Å; L261-T263 PolarHBondContact O-N 3.45Å; L261-T263 VanDerWaalsContact O-N 3.12Å; T263-L265 PolarHBondContact O-N 3.01Å; T263-F266 WeakPolarHBondContact O-CB 3.25Å; T263-F266 PolarHBondContact O-N 3.24Å; T263-F266 VanDerWaalsContact O-N 3.1Å |
| 264 | A | 93 | Very high | 91.5 | Very high | 40 Ų | 40 | 51.8 Ų | 51.8 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -60.1 | -34.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L261 P262 F266 R267 | L261-A264 VanDerWaalsContact O-CB 3.24Å; L261-A264 WeakPolarHBondContact O-CB 3.46Å; L261-A264 PolarHBondContact O-N 3.15Å; P262-A264 PolarHBondContact O-N 3.32Å; P262-A264 VanDerWaalsContact O-N 3.16Å; A264-F266 PolarHBondContact O-N 3.5Å; A264-R267 PolarHBondContact O-N 3.46Å; A264-R267 VanDerWaalsContact O-N 3.13Å |
| 265 | L | 94.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -69.4 | -16.6 | -179.8 | -65.5 | 174.9 | 0 | 0 | 0 | 113.1 | L199 L247 Q251 L255 I260 P262 T263 R267 V268 L270 | L199-L265 HydrophobicContact CD1-CB 4.08Å; L199-L265 HydrophobicContact CD1-CD1 3.71Å; L247-L265 HydrophobicContact CD1-CD1 4.12Å; L247-L265 HydrophobicContact CD2-CD1 4.5Å; L247-L265 HydrophobicContact CD2-CD2 4.24Å; Q251-L265 HydrophobicContact CB-CD2 4.36Å; Q251-L265 HydrophobicContact CG-CD2 4.25Å; L255-L265 HydrophobicContact CD1-CD1 4.2Å; L255-L265 HydrophobicContact CD2-CD1 3.83Å; L255-L265 HydrophobicContact CG-CD1 4.44Å; I260-L265 HydrophobicContact CD1-CD1 4.42Å; I260-L265 HydrophobicContact CD1-CD2 4.35Å; I260-L265 HydrophobicContact CD1-CG 4.3Å; P262-L265 PolarHBondContact O-N 3.22Å; P262-L265 VanDerWaalsContact O-N 3.09Å; T263-L265 PolarHBondContact O-N 3.01Å; L265-R267 VanDerWaalsContact C-N 3.3Å; L265-V268 HydrophobicContact CD2-CG2 4.38Å; L265-L270 HydrophobicContact CB-CD1 4.49Å; L265-L270 HydrophobicContact CD2-CD2 4.26Å; L265-L270 WeakPolarHBondContact O-CD1 3.37Å |
| 266 | F | 94 | Very high | 91.4 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 11% | 0.114 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -80.3 | -11.7 | 174.8 | -74.3 | -100.3 | 0 | 0 | 0 | 113.4 | D178 I180 L199 R201 V214 R243 T263 A264 | D178-F266 HydrophobicContact CB-CD1 4.39Å; D178-F266 HydrophobicContact CB-CE1 3.92Å; D178-F266 VanDerWaalsContact OD2-CD1 3.26Å; D178-F266 WeakPolarHBondContact OD2-CD1 3.35Å; D178-F266 WeakPolarHBondContact OD2-CE1 3.3Å; I180-F266 HydrophobicContact CB-CZ 4.34Å; I180-F266 HydrophobicContact CD1-CD1 3.89Å; I180-F266 HydrophobicContact CD1-CD2 3.85Å; I180-F266 HydrophobicContact CD1-CE1 3.77Å; I180-F266 HydrophobicContact CD1-CE2 3.73Å; I180-F266 HydrophobicContact CD1-CG 3.92Å; I180-F266 HydrophobicContact CD1-CZ 3.7Å; I180-F266 HydrophobicContact CG1-CD1 4.33Å; I180-F266 HydrophobicContact CG1-CE1 3.78Å; I180-F266 HydrophobicContact CG1-CE2 4.26Å; I180-F266 HydrophobicContact CG1-CZ 3.75Å; L199-F266 HydrophobicContact CB-CE2 3.76Å; L199-F266 HydrophobicContact CB-CZ 3.97Å; L199-F266 HydrophobicContact CD1-CE2 4.12Å; R201-F266 HydrophobicContact CB-CD1 4.36Å; R201-F266 HydrophobicContact CB-CE1 3.8Å; R201-F266 HydrophobicContact CB-CZ 3.92Å; V214-F266 HydrophobicContact CB-CE2 4.44Å; V214-F266 HydrophobicContact CG1-CD2 4.38Å; V214-F266 HydrophobicContact CG1-CE2 3.63Å; V214-F266 HydrophobicContact CG1-CZ 4.35Å; V214-F266 HydrophobicContact CG2-CD2 4.01Å; V214-F266 HydrophobicContact CG2-CE2 3.87Å; R243-F266 VanDerWaalsContact NH2-CD1 3.35Å; T263-F266 WeakPolarHBondContact O-CB 3.25Å; T263-F266 PolarHBondContact O-N 3.24Å; T263-F266 VanDerWaalsContact O-N 3.1Å; A264-F266 PolarHBondContact O-N 3.5Å |
| 267 | R | 89 | Confident | 91.5 | Very high | 128 Ų | 128 | 52.1 Ų | 52.1 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -11.5 | -173.9 | -62.3 | -174.1 | 179.8 | -168.6 | 0.5 | 114.5 | Q94 A95 D97 A264 L265 | Q94-R267 PolarHBondContact O-NH1 3.17Å; Q94-R267 PolarHBondContact O-NH2 3.39Å; A95-R267 PolarHBondContact O-NE 3.19Å; A95-R267 PolarHBondContact O-NH2 2.92Å; D97-R267 VanDerWaalsContact CB-NH2 3.28Å; A264-R267 PolarHBondContact O-N 3.46Å; A264-R267 VanDerWaalsContact O-N 3.13Å; L265-R267 VanDerWaalsContact C-N 3.3Å |
| 268 | V | 89 | Confident | 91.7 | Very high | 60 Ų | 60 | 52.2 Ų | 52.2 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -101.1 | 150.3 | 179.8 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | L265 L270 | L265-V268 HydrophobicContact CD2-CG2 4.38Å; V268-L270 HydrophobicContact CG2-CD2 3.71Å; V268-L270 HydrophobicContact CG2-CG 4.3Å; V268-L270 PolarHBondContact O-N 2.99Å |
| 269 | P | 88.9 | Confident | 91.8 | Very high | 126 Ų | 126 | 55.3 Ų | 55.3 | 82% | 0.818 | 30% | 0.302 | S | S | * | . | trans | -62.6 | 129.9 | 168.6 | 26.3 | -32.5 | 0 | 0 | 0 | 109.3 | ||||
| 270 | L | 93.7 | Very high | 92 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | trans | -117.1 | 144.6 | 176 | -61.3 | -179.2 | 0 | 0 | 0 | 109.2 | I180 V245 L247 L265 V268 | I180-L270 HydrophobicContact CD1-CD1 4.07Å; V245-L270 HydrophobicContact CB-CB 4.07Å; V245-L270 HydrophobicContact CB-CD1 4.32Å; V245-L270 HydrophobicContact CG1-CB 3.95Å; V245-L270 HydrophobicContact CG1-CD1 4.22Å; V245-L270 HydrophobicContact CG2-CB 4.5Å; V245-L270 HydrophobicContact CG2-CD1 3.9Å; L247-L270 HydrophobicContact CD2-CD1 4.2Å; L247-L270 HydrophobicContact CD2-CD2 3.75Å; L265-L270 HydrophobicContact CB-CD1 4.49Å; L265-L270 HydrophobicContact CD2-CD2 4.26Å; L265-L270 WeakPolarHBondContact O-CD1 3.37Å; V268-L270 HydrophobicContact CG2-CD2 3.71Å; V268-L270 HydrophobicContact CG2-CG 4.3Å; V268-L270 PolarHBondContact O-N 2.99Å | ||
| 271 | S | 92.6 | Very high | 92 | Very high | 73 Ų | 73 | 55.2 Ų | 55.2 | 51% | 0.51 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 131.9 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 109.6 | V245 T246 | V245-S271 CarbonylContact C-O 3.52Å; V245-S271 WeakPolarHBondContact CA-O 3.36Å; V245-S271 VanDerWaalsContact CB-O 3.31Å; V245-S271 WeakPolarHBondContact CB-O 3.45Å; T246-S271 PolarHBondContact N-O 3.42Å |
| 272 | P | 92.3 | Very high | 92 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 71% | 0.714 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 146.1 | 171.8 | 28.2 | -33.8 | 0 | 0 | 0 | 110 | ||
| 273 | W | 88.3 | Confident | 91.8 | Very high | 103 Ų | 103 | 64.5 Ų | 64.5 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | trans | -79.6 | 0 | 169.1 | -176.9 | 10.2 | 0 | 0 | 0 | 110.9 | H183 M222 E227 F230 A244 | H183-W273 AromaticContact CD2-CD1 3.7Å; H183-W273 AromaticContact CD2-CD2 3.39Å; H183-W273 AromaticContact CD2-CE2 3.67Å; H183-W273 AromaticContact CD2-CE3 3.9Å; H183-W273 AromaticContact CD2-CG 3.42Å; H183-W273 VanDerWaalsContact CD2-CG 3.42Å; H183-W273 AromaticContact CD2-NE1 3.82Å; H183-W273 AromaticContact CE1-CD1 3.59Å; H183-W273 AromaticContact CE1-NE1 3.57Å; H183-W273 AromaticContact NE2-CD1 3.05Å; H183-W273 AromaticContact NE2-CD2 3.63Å; H183-W273 AromaticContact NE2-CE2 3.78Å; H183-W273 AromaticContact NE2-CG 3.17Å; H183-W273 AromaticContact NE2-NE1 3.41Å; H183-W273 PolarHBondContact NE2-NE1 3.38Å; M222-W273 HydrophobicContact CE-CH2 3.66Å; M222-W273 HydrophobicContact CE-CZ2 3.98Å; M222-W273 HydrophobicContact CE-CZ3 4.5Å; E227-W273 WeakPolarHBondContact OE2-CH2 3.39Å; E227-W273 WeakPolarHBondContact OE2-CZ2 3.47Å; F230-W273 HydrophobicContact CB-CH2 4.26Å; F230-W273 HydrophobicContact CB-CZ3 4.01Å; F230-W273 AromaticContact CD2-CH2 3.8Å; F230-W273 HydrophobicContact CD2-CH2 3.8Å; F230-W273 AromaticContact CD2-CZ3 3.46Å; F230-W273 HydrophobicContact CD2-CZ3 3.46Å; F230-W273 VanDerWaalsContact CD2-CZ3 3.46Å; F230-W273 HydrophobicContact CE2-CZ3 4.37Å; F230-W273 HydrophobicContact CG-CZ3 4.23Å; A244-W273 HydrophobicContact CB-CB 4.05Å; A244-W273 HydrophobicContact CB-CE3 3.86Å; A244-W273 PolarHBondContact O-N 3.2Å |
Retrieved 273 of 273 residues in 85.8 ms
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