| 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 | 40.1 | Very low | 40.9 | Very low | 197 Ų | 197 | 104.9 Ų | 104.9 | 97% | 0.97 | 61% | 0.609 | S | S | * | * | 0 | -43.6 | 0 | -147.2 | -171.5 | -73.3 | 0 | 0 | 111.2 | S4 L5 | M1-S4 PolarHBondContact O-OG 3.1Å; M1-L5 PolarHBondContact O-N 3.24Å | |||
| 2 | L | 36.5 | Very low | 41.4 | Very low | 146 Ų | 146 | 101.3 Ų | 101.3 | 76% | 0.764 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.6 | -41.1 | 171.5 | -79.4 | 156.8 | 0 | 0 | 0 | 113.1 | S4 L5 A6 | L2-S4 VanDerWaalsContact C-N 3.35Å; L2-S4 PolarHBondContact O-N 3.03Å; L2-L5 WeakPolarHBondContact O-CB 3.48Å; L2-L5 PolarHBondContact O-N 3.42Å; L2-L5 VanDerWaalsContact O-N 3.12Å; L2-A6 PolarHBondContact O-N 3.2Å |
| 3 | D | 42.1 | Very low | 41.8 | Very low | 129 Ų | 129 | 103.2 Ų | 103.2 | 69% | 0.69 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.6 | -37 | 177.8 | -61.2 | -37.2 | 0 | 0 | 0 | 112.9 | L5 A6 D7 | D3-L5 PolarHBondContact O-N 3.2Å; D3-A6 PolarHBondContact O-N 3.03Å; D3-D7 PolarHBondContact O-N 3.39Å |
| 4 | S | 45.4 | Very low | 42.6 | Very low | 74 Ų | 74 | 101.5 Ų | 101.5 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.9 | -24.8 | 175.7 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | M1 L2 L8 | M1-S4 PolarHBondContact O-OG 3.1Å; L2-S4 VanDerWaalsContact C-N 3.35Å; L2-S4 PolarHBondContact O-N 3.03Å; S4-L8 WeakPolarHBondContact O-CB 3.17Å; S4-L8 PolarHBondContact O-N 3.36Å |
| 5 | L | 32.8 | Very low | 43.7 | Very low | 99 Ų | 99 | 100.9 Ų | 100.9 | 52% | 0.518 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -77.9 | -40.6 | 173.1 | -89.6 | 156.8 | 0 | 0 | 0 | 111 | M1 L2 D3 L8 V9 | M1-L5 PolarHBondContact O-N 3.24Å; L2-L5 WeakPolarHBondContact O-CB 3.48Å; L2-L5 PolarHBondContact O-N 3.42Å; L2-L5 VanDerWaalsContact O-N 3.12Å; D3-L5 PolarHBondContact O-N 3.2Å; L5-L8 PolarHBondContact O-N 3.39Å; L5-V9 VanDerWaalsContact O-CG2 3.26Å; L5-V9 WeakPolarHBondContact O-CG2 3.46Å; L5-V9 PolarHBondContact O-N 3.38Å |
| 6 | A | 39.6 | Very low | 44.5 | Very low | 57 Ų | 57 | 99.2 Ų | 99.2 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.6 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2 D3 L8 V9 A10 | L2-A6 PolarHBondContact O-N 3.2Å; D3-A6 PolarHBondContact O-N 3.03Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 2.8Å; A6-V9 PolarHBondContact O-N 3.1Å; A6-A10 VanDerWaalsContact O-CB 3.23Å; A6-A10 WeakPolarHBondContact O-CB 3.5Å; A6-A10 PolarHBondContact O-N 2.91Å |
| 7 | D | 43.3 | Very low | 45.2 | Very low | 114 Ų | 114 | 97.7 Ų | 97.7 | 61% | 0.61 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.6 | -33.9 | 175.3 | -76 | -24.3 | 0 | 0 | 0 | 112.5 | D3 S11 | D3-D7 PolarHBondContact O-N 3.39Å; D7-S11 WeakPolarHBondContact O-CB 3.3Å; D7-S11 PolarHBondContact O-N 3.07Å; D7-S11 PolarHBondContact O-OG 3.11Å |
| 8 | L | 40.5 | Very low | 46.2 | Very low | 118 Ų | 118 | 95 Ų | 95 | 62% | 0.618 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.5 | -38.5 | 174.7 | -157.5 | 83.4 | 0 | 0 | 0 | 111.9 | S4 L5 A6 S11 S12 | S4-L8 WeakPolarHBondContact O-CB 3.17Å; S4-L8 PolarHBondContact O-N 3.36Å; L5-L8 PolarHBondContact O-N 3.39Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 2.8Å; L8-S11 WeakPolarHBondContact CA-OG 3.44Å; L8-S11 PolarHBondContact O-OG 3.26Å; L8-S11 VanDerWaalsContact O-OG 3.1Å; L8-S12 WeakPolarHBondContact O-CB 3.49Å; L8-S12 PolarHBondContact O-N 3.42Å; L8-S12 PolarHBondContact O-OG 3.38Å |
| 9 | V | 40.1 | Very low | 47.3 | Very low | 87 Ų | 87 | 92.1 Ų | 92.1 | 53% | 0.527 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.5 | -40.8 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L5 A6 S12 F13 | L5-V9 VanDerWaalsContact O-CG2 3.26Å; L5-V9 WeakPolarHBondContact O-CG2 3.46Å; L5-V9 PolarHBondContact O-N 3.38Å; A6-V9 PolarHBondContact O-N 3.1Å; V9-S12 WeakPolarHBondContact CA-OG 3.18Å; V9-S12 PolarHBondContact O-N 3.04Å; V9-S12 PolarHBondContact O-OG 3.35Å; V9-F13 PolarHBondContact O-N 2.93Å; V9-F13 VanDerWaalsContact O-N 3.13Å |
| 10 | A | 41.8 | Very low | 48.4 | Very low | 61 Ų | 61 | 89.8 Ų | 89.8 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A6 P14 | A6-A10 VanDerWaalsContact O-CB 3.23Å; A6-A10 WeakPolarHBondContact O-CB 3.5Å; A6-A10 PolarHBondContact O-N 2.91Å; A10-P14 WeakPolarHBondContact O-CD 3.31Å |
| 11 | S | 47.6 | Very low | 49.3 | Very low | 72 Ų | 72 | 88.5 Ų | 88.5 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.6 | -25.5 | 176 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | D7 L8 | D7-S11 WeakPolarHBondContact O-CB 3.3Å; D7-S11 PolarHBondContact O-N 3.07Å; D7-S11 PolarHBondContact O-OG 3.11Å; L8-S11 WeakPolarHBondContact CA-OG 3.44Å; L8-S11 PolarHBondContact O-OG 3.26Å; L8-S11 VanDerWaalsContact O-OG 3.1Å |
| 12 | S | 47 | Very low | 50.9 | Low | 61 Ų | 61 | 85.4 Ų | 85.4 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -83.6 | -23.4 | 175.6 | 47.5 | 0 | 0 | 0 | 0 | 113.6 | L8 V9 V15 L16 | L8-S12 WeakPolarHBondContact O-CB 3.49Å; L8-S12 PolarHBondContact O-N 3.42Å; L8-S12 PolarHBondContact O-OG 3.38Å; V9-S12 WeakPolarHBondContact CA-OG 3.18Å; V9-S12 PolarHBondContact O-N 3.04Å; V9-S12 PolarHBondContact O-OG 3.35Å; S12-V15 PolarHBondContact O-N 3.29Å; S12-L16 WeakPolarHBondContact O-CB 3.17Å; S12-L16 PolarHBondContact O-N 2.84Å |
| 13 | F | 47.1 | Very low | 52.5 | Low | 127 Ų | 127 | 78.9 Ų | 78.9 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.4 | -48.7 | 179.9 | -139.9 | -91.2 | 0 | 0 | 0 | 113.5 | V9 V15 L16 T17 | V9-F13 PolarHBondContact O-N 2.93Å; V9-F13 VanDerWaalsContact O-N 3.13Å; F13-V15 VanDerWaalsContact C-N 3.33Å; F13-V15 PolarHBondContact O-N 3.47Å; F13-L16 WeakPolarHBondContact O-CB 3.34Å; F13-L16 PolarHBondContact O-N 3.37Å; F13-T17 HydrophobicContact CD1-CG2 4.41Å; F13-T17 HydrophobicContact CE1-CG2 4.42Å; F13-T17 PolarHBondContact O-N 2.71Å; F13-T17 PolarHBondContact O-OG1 3.35Å |
| 14 | P | 53.2 | Low | 54 | Low | 79 Ų | 79 | 76.2 Ų | 76.2 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 177 | -23.7 | 32.7 | 0 | 0 | 0 | 112.4 | A10 T17 A18 | A10-P14 WeakPolarHBondContact O-CD 3.31Å; P14-T17 VanDerWaalsContact CA-OG1 3.27Å; P14-T17 WeakPolarHBondContact CA-OG1 3.49Å; P14-T17 PolarHBondContact O-N 2.92Å; P14-T17 PolarHBondContact O-OG1 3.17Å; P14-A18 VanDerWaalsContact O-CB 3.26Å; P14-A18 WeakPolarHBondContact O-CB 3.18Å; P14-A18 PolarHBondContact O-N 3.08Å |
| 15 | V | 57.9 | Low | 55.4 | Low | 93 Ų | 93 | 74.6 Ų | 74.6 | 56% | 0.564 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.3 | -45.1 | 178 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | S12 F13 A18 V19 | S12-V15 PolarHBondContact O-N 3.29Å; F13-V15 VanDerWaalsContact C-N 3.33Å; F13-V15 PolarHBondContact O-N 3.47Å; V15-A18 PolarHBondContact O-N 3.17Å; V15-V19 HydrophobicContact CG1-CG2 4.41Å; V15-V19 VanDerWaalsContact O-CG2 3.29Å; V15-V19 WeakPolarHBondContact O-CG2 3.23Å; V15-V19 PolarHBondContact O-N 2.9Å |
| 16 | L | 56.7 | Low | 57.2 | Low | 73 Ų | 73 | 70.4 Ų | 70.4 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 176.5 | -174.8 | 67.3 | 0 | 0 | 0 | 111.1 | S12 F13 A18 V19 V20 L406 | S12-L16 WeakPolarHBondContact O-CB 3.17Å; S12-L16 PolarHBondContact O-N 2.84Å; F13-L16 WeakPolarHBondContact O-CB 3.34Å; F13-L16 PolarHBondContact O-N 3.37Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 2.95Å; L16-V19 PolarHBondContact O-N 3.13Å; L16-V20 WeakPolarHBondContact O-CB 3.47Å; L16-V20 VanDerWaalsContact O-CG2 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 2.8Å; L16-L406 HydrophobicContact CD1-CB 3.83Å; L16-L406 HydrophobicContact CD1-CD1 3.63Å; L16-L406 HydrophobicContact CD1-CD2 3.67Å; L16-L406 HydrophobicContact CD1-CG 3.89Å |
| 17 | T | 57 | Low | 58.6 | Low | 74 Ų | 74 | 68.1 Ų | 68.1 | 45% | 0.454 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 175.8 | 33.1 | 0 | 0 | 0 | 0 | 112.7 | F13 P14 V20 A21 | F13-T17 HydrophobicContact CD1-CG2 4.41Å; F13-T17 HydrophobicContact CE1-CG2 4.42Å; F13-T17 PolarHBondContact O-N 2.71Å; F13-T17 PolarHBondContact O-OG1 3.35Å; P14-T17 VanDerWaalsContact CA-OG1 3.27Å; P14-T17 WeakPolarHBondContact CA-OG1 3.49Å; P14-T17 PolarHBondContact O-N 2.92Å; P14-T17 PolarHBondContact O-OG1 3.17Å; T17-V20 PolarHBondContact O-N 3.32Å; T17-A21 WeakPolarHBondContact O-CB 3.49Å; T17-A21 PolarHBondContact O-N 2.88Å |
| 18 | A | 63.3 | Low | 59.8 | Low | 49 Ų | 49 | 65.6 Ų | 65.6 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P14 V15 L16 A21 M22 | P14-A18 VanDerWaalsContact O-CB 3.26Å; P14-A18 WeakPolarHBondContact O-CB 3.18Å; P14-A18 PolarHBondContact O-N 3.08Å; V15-A18 PolarHBondContact O-N 3.17Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 2.95Å; A18-A21 PolarHBondContact O-N 2.83Å; A18-M22 WeakPolarHBondContact O-CB 3.46Å; A18-M22 WeakPolarHBondContact O-CG 3.47Å; A18-M22 PolarHBondContact O-N 2.95Å |
| 19 | V | 67.6 | Low | 61.3 | Low | 39 Ų | 39 | 66.2 Ų | 66.2 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.4 | -46 | 175.2 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | V15 L16 A21 M22 T23 L406 I410 | V15-V19 HydrophobicContact CG1-CG2 4.41Å; V15-V19 VanDerWaalsContact O-CG2 3.29Å; V15-V19 WeakPolarHBondContact O-CG2 3.23Å; V15-V19 PolarHBondContact O-N 2.9Å; L16-V19 PolarHBondContact O-N 3.13Å; V19-A21 PolarHBondContact O-N 3.16Å; V19-M22 HydrophobicContact CG2-CE 4.45Å; V19-M22 PolarHBondContact O-N 3.47Å; V19-T23 WeakPolarHBondContact O-CB 3.41Å; V19-T23 PolarHBondContact O-N 3.46Å; V19-T23 PolarHBondContact O-OG1 3.35Å; V19-L406 HydrophobicContact CB-CD2 4.32Å; V19-L406 HydrophobicContact CG1-CD1 4.09Å; V19-L406 HydrophobicContact CG1-CD2 3.98Å; V19-L406 HydrophobicContact CG1-CG 4.4Å; V19-I410 HydrophobicContact CG1-CD1 3.97Å |
| 20 | V | 69.6 | Low | 62.6 | Low | 47 Ų | 47 | 62.8 Ų | 62.8 | 29% | 0.285 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L16 T17 T23 V24 L406 F409 | L16-V20 WeakPolarHBondContact O-CB 3.47Å; L16-V20 VanDerWaalsContact O-CG2 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 2.8Å; T17-V20 PolarHBondContact O-N 3.32Å; V20-T23 PolarHBondContact O-N 3.36Å; V20-T23 VanDerWaalsContact O-N 3.17Å; V20-V24 HydrophobicContact CG1-CG2 4.32Å; V20-V24 WeakPolarHBondContact O-CB 3.47Å; V20-V24 VanDerWaalsContact O-CG2 3.3Å; V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 3.46Å; V20-L406 HydrophobicContact CG2-CD1 3.88Å; V20-F409 HydrophobicContact CG1-CE1 4.04Å; V20-F409 HydrophobicContact CG1-CZ 4.34Å; V20-F409 HydrophobicContact CG2-CD1 4.4Å; V20-F409 HydrophobicContact CG2-CE1 4.35Å |
| 21 | A | 67.4 | Low | 63.8 | Low | 63 Ų | 63 | 64.4 Ų | 64.4 | 52% | 0.521 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T17 A18 V19 T23 V24 G25 | T17-A21 WeakPolarHBondContact O-CB 3.49Å; T17-A21 PolarHBondContact O-N 2.88Å; A18-A21 PolarHBondContact O-N 2.83Å; V19-A21 PolarHBondContact O-N 3.16Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 2.84Å; A21-V24 PolarHBondContact O-N 3.45Å; A21-G25 PolarHBondContact O-N 2.84Å |
| 22 | M | 73.1 | Confident | 64.1 | Low | 132 Ų | 132 | 64.1 Ų | 64.1 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.7 | -37.9 | 173.1 | -76 | -166.5 | -63.6 | 0 | 0 | 111.8 | A18 V19 G25 A26 | A18-M22 WeakPolarHBondContact O-CB 3.46Å; A18-M22 WeakPolarHBondContact O-CG 3.47Å; A18-M22 PolarHBondContact O-N 2.95Å; V19-M22 HydrophobicContact CG2-CE 4.45Å; V19-M22 PolarHBondContact O-N 3.47Å; M22-G25 PolarHBondContact O-N 3.45Å; M22-A26 VanDerWaalsContact O-CB 3.25Å; M22-A26 WeakPolarHBondContact O-CB 3.01Å; M22-A26 PolarHBondContact O-N 3.26Å |
| 23 | T | 70.3 | Confident | 64.5 | Low | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.049 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.6 | -42 | 179.2 | -48.9 | 0 | 0 | 0 | 0 | 110.9 | V19 V20 A21 A26 A27 I410 L413 W433 | V19-T23 WeakPolarHBondContact O-CB 3.41Å; V19-T23 PolarHBondContact O-N 3.46Å; V19-T23 PolarHBondContact O-OG1 3.35Å; V20-T23 PolarHBondContact O-N 3.36Å; V20-T23 VanDerWaalsContact O-N 3.17Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 2.84Å; T23-A26 PolarHBondContact O-N 2.97Å; T23-A27 PolarHBondContact O-N 3.44Å; T23-I410 HydrophobicContact CG2-CB 4.47Å; T23-I410 HydrophobicContact CG2-CG1 3.98Å; T23-I410 HydrophobicContact CG2-CG2 4.29Å; T23-L413 HydrophobicContact CG2-CD2 3.77Å; T23-W433 HydrophobicContact CG2-CH2 3.73Å; T23-W433 HydrophobicContact CG2-CZ3 3.71Å |
| 24 | V | 72.4 | Confident | 64.7 | Low | 74 Ų | 74 | 62.3 Ų | 62.3 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | V20 A21 A26 A27 A28 | V20-V24 HydrophobicContact CG1-CG2 4.32Å; V20-V24 WeakPolarHBondContact O-CB 3.47Å; V20-V24 VanDerWaalsContact O-CG2 3.3Å; V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 3.46Å; A21-V24 PolarHBondContact O-N 3.45Å; V24-A26 VanDerWaalsContact C-N 3.35Å; V24-A27 WeakPolarHBondContact O-CB 3.33Å; V24-A27 PolarHBondContact O-N 2.74Å; V24-A28 WeakPolarHBondContact O-CB 3.46Å; V24-A28 PolarHBondContact O-N 2.89Å |
| 25 | G | 75.1 | Confident | 64.6 | Low | 39 Ų | 39 | 59.1 Ų | 59.1 | 40% | 0.402 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A21 M22 A28 F29 | A21-G25 PolarHBondContact O-N 2.84Å; M22-G25 PolarHBondContact O-N 3.45Å; G25-A28 PolarHBondContact O-N 3.5Å; G25-F29 VanDerWaalsContact O-CB 3.26Å; G25-F29 WeakPolarHBondContact O-CB 3.34Å; G25-F29 PolarHBondContact O-N 2.99Å |
| 26 | A | 70.2 | Confident | 64.2 | Low | 12 Ų | 12 | 62 Ų | 62 | 10% | 0.099 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | M22 T23 V24 F29 Y30 I432 | M22-A26 VanDerWaalsContact O-CB 3.25Å; M22-A26 WeakPolarHBondContact O-CB 3.01Å; M22-A26 PolarHBondContact O-N 3.26Å; T23-A26 PolarHBondContact O-N 2.97Å; V24-A26 VanDerWaalsContact C-N 3.35Å; A26-F29 PolarHBondContact O-N 3.11Å; A26-Y30 WeakPolarHBondContact O-CB 3.36Å; A26-Y30 PolarHBondContact O-N 2.81Å; A26-I432 HydrophobicContact CB-CD1 3.79Å; A26-I432 HydrophobicContact CB-CG2 4.27Å |
| 27 | A | 69.2 | Low | 64.2 | Low | 8 Ų | 8 | 60.6 Ų | 60.6 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T23 V24 F29 Y30 F31 L413 W433 | T23-A27 PolarHBondContact O-N 3.44Å; V24-A27 WeakPolarHBondContact O-CB 3.33Å; V24-A27 PolarHBondContact O-N 2.74Å; A27-F29 VanDerWaalsContact C-N 3.33Å; A27-F29 PolarHBondContact O-N 2.87Å; A27-Y30 WeakPolarHBondContact O-CB 3.38Å; A27-Y30 PolarHBondContact O-N 3.17Å; A27-F31 WeakPolarHBondContact O-CD2 3.41Å; A27-F31 PolarHBondContact O-N 3.29Å; A27-L413 HydrophobicContact CB-CD1 4.19Å; A27-L413 HydrophobicContact CB-CD2 4.12Å; A27-L413 HydrophobicContact CB-CG 4.29Å; A27-W433 HydrophobicContact CB-CH2 4.22Å; A27-W433 HydrophobicContact CB-CZ2 3.79Å |
| 28 | A | 69.8 | Low | 64.5 | Low | 61 Ų | 61 | 58.2 Ų | 58.2 | 50% | 0.504 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V24 G25 G32 | V24-A28 WeakPolarHBondContact O-CB 3.46Å; V24-A28 PolarHBondContact O-N 2.89Å; G25-A28 PolarHBondContact O-N 3.5Å; A28-G32 WeakPolarHBondContact O-CA 3.48Å; A28-G32 PolarHBondContact O-N 3.31Å |
| 29 | F | 71 | Confident | 65 | Low | 132 Ų | 132 | 64.5 Ų | 64.5 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 173.4 | -179 | -102.3 | 0 | 0 | 0 | 111.9 | G25 A26 A27 F31 G32 L33 | G25-F29 VanDerWaalsContact O-CB 3.26Å; G25-F29 WeakPolarHBondContact O-CB 3.34Å; G25-F29 PolarHBondContact O-N 2.99Å; A26-F29 PolarHBondContact O-N 3.11Å; A27-F29 VanDerWaalsContact C-N 3.33Å; A27-F29 PolarHBondContact O-N 2.87Å; F29-F31 PolarHBondContact O-N 2.6Å; F29-G32 PolarHBondContact O-N 2.89Å; F29-L33 HydrophobicContact CD1-CD1 4.01Å; F29-L33 HydrophobicContact CD2-CD1 4.37Å; F29-L33 HydrophobicContact CD2-CG 4.38Å; F29-L33 HydrophobicContact CE1-CD1 3.37Å; F29-L33 HydrophobicContact CE1-CG 4.34Å; F29-L33 HydrophobicContact CE2-CD1 3.79Å; F29-L33 HydrophobicContact CE2-CD2 4.48Å; F29-L33 HydrophobicContact CE2-CG 4.06Å; F29-L33 HydrophobicContact CG-CD1 4.48Å; F29-L33 HydrophobicContact CZ-CD1 3.27Å; F29-L33 HydrophobicContact CZ-CG 4.06Å; F29-L33 PolarHBondContact O-N 3.27Å |
| 30 | Y | 68.1 | Low | 65.8 | Low | 15 Ų | 15 | 69 Ų | 69 | 6% | 0.059 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 177.3 | -173.9 | -91.1 | 0 | 0 | 0 | 112.4 | A26 A27 C417 D421 R428 W433 | A26-Y30 WeakPolarHBondContact O-CB 3.36Å; A26-Y30 PolarHBondContact O-N 2.81Å; A27-Y30 WeakPolarHBondContact O-CB 3.38Å; A27-Y30 PolarHBondContact O-N 3.17Å; Y30-C417 HydrophobicContact CD1-CB 3.94Å; Y30-C417 HydrophobicContact CE1-CB 3.8Å; Y30-C417 WeakPolarHBondContact CE1-O 3.44Å; Y30-D421 VanDerWaalsContact OH-CG 3.26Å; Y30-D421 PolarHBondContact OH-OD2 3.13Å; Y30-R428 PolarHBondContact OH-NH2 3.21Å; Y30-R428 VanDerWaalsContact OH-NH2 3.16Å; Y30-W433 AromaticContact CD2-CD1 3.74Å; Y30-W433 AromaticContact CD2-NE1 3.56Å; Y30-W433 AromaticContact CE2-CD1 3.53Å; Y30-W433 AromaticContact CE2-NE1 3.78Å; Y30-W433 AromaticContact CG-NE1 3.66Å; Y30-W433 AromaticContact CZ-CD1 3.87Å |
| 31 | F | 65.8 | Low | 66.6 | Low | 95 Ų | 95 | 67.6 Ų | 67.6 | 42% | 0.417 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -76.4 | -36.8 | 175 | -70.9 | -63.8 | 0 | 0 | 0 | 112.6 | A27 F29 G34 C417 E420 | A27-F31 WeakPolarHBondContact O-CD2 3.41Å; A27-F31 PolarHBondContact O-N 3.29Å; F29-F31 PolarHBondContact O-N 2.6Å; F31-G34 PolarHBondContact O-N 3.17Å; F31-C417 VanDerWaalsContact CE2-SG 3.53Å; F31-C417 HydrophobicContact CZ-CB 4.3Å; F31-E420 HydrophobicContact CE1-CB 4.19Å; F31-E420 HydrophobicContact CE1-CG 4.11Å; F31-E420 HydrophobicContact CZ-CG 4.38Å |
| 32 | G | 54.7 | Low | 67.5 | Low | 66 Ų | 66 | 68.6 Ų | 68.6 | 68% | 0.68 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.1 | -29.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A28 F29 G34 | A28-G32 WeakPolarHBondContact O-CA 3.48Å; A28-G32 PolarHBondContact O-N 3.31Å; F29-G32 PolarHBondContact O-N 2.89Å; G32-G34 PolarHBondContact O-N 3.12Å; G32-G34 VanDerWaalsContact O-N 3.15Å |
| 33 | L | 55 | Low | 68.2 | Low | 98 Ų | 98 | 63.3 Ų | 63.3 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | 10.3 | 168.3 | -75.3 | -179.8 | 0 | 0 | 0 | 113.6 | F29 G35 N36 | F29-L33 HydrophobicContact CD1-CD1 4.01Å; F29-L33 HydrophobicContact CD2-CD1 4.37Å; F29-L33 HydrophobicContact CD2-CG 4.38Å; F29-L33 HydrophobicContact CE1-CD1 3.37Å; F29-L33 HydrophobicContact CE1-CG 4.34Å; F29-L33 HydrophobicContact CE2-CD1 3.79Å; F29-L33 HydrophobicContact CE2-CD2 4.48Å; F29-L33 HydrophobicContact CE2-CG 4.06Å; F29-L33 HydrophobicContact CG-CD1 4.48Å; F29-L33 HydrophobicContact CZ-CD1 3.27Å; F29-L33 HydrophobicContact CZ-CG 4.06Å; F29-L33 PolarHBondContact O-N 3.27Å; L33-G35 PolarHBondContact O-N 3.3Å; L33-G35 VanDerWaalsContact O-N 3.13Å; L33-N36 WeakPolarHBondContact O-CB 3.32Å; L33-N36 PolarHBondContact O-N 3.06Å |
| 34 | G | 50.7 | Low | 69 | Low | 52 Ų | 52 | 65.3 Ų | 65.3 | 54% | 0.536 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 22.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | F31 G32 N36 | F31-G34 PolarHBondContact O-N 3.17Å; G32-G34 PolarHBondContact O-N 3.12Å; G32-G34 VanDerWaalsContact O-N 3.15Å; G34-N36 PolarHBondContact O-N 3.28Å |
| 35 | G | 51.6 | Low | 69.9 | Low | 12 Ų | 12 | 62.2 Ų | 62.2 | 12% | 0.124 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 14.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L33 G37 | L33-G35 PolarHBondContact O-N 3.3Å; L33-G35 VanDerWaalsContact O-N 3.13Å; G35-G37 PolarHBondContact O-N 2.72Å |
| 36 | N | 49.5 | Very low | 70.3 | Confident | 153 Ų | 153 | 66.4 Ų | 66.4 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 8.3 | -169.2 | -89.5 | -15.3 | 0 | 0 | 0 | 116.6 | L33 G34 | L33-N36 WeakPolarHBondContact O-CB 3.32Å; L33-N36 PolarHBondContact O-N 3.06Å; G34-N36 PolarHBondContact O-N 3.28Å |
| 37 | G | 56.9 | Low | 71.2 | Confident | 44 Ų | 44 | 69.2 Ų | 69.2 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 4.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G35 | G35-G37 PolarHBondContact O-N 2.72Š|
| 38 | G | 64 | Low | 72.2 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | trans | -127.5 | 135.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 39 | K | 73.8 | Confident | 73.1 | Confident | 181 Ų | 181 | 71.5 Ų | 71.5 | 79% | 0.787 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 126.6 | 172.3 | -170 | -179.6 | 177.5 | -172.6 | 0 | 108.3 | ||
| 40 | K | 83.9 | Confident | 74.2 | Confident | 135 Ų | 135 | 70.9 Ų | 70.9 | 59% | 0.587 | 41% | 0.411 | S | S | * | . | B | Isolated β-bridge | trans | -61.1 | 135.1 | 171 | -171.5 | 178.5 | -179 | -173.5 | 0 | 108.9 | T42 A425 | K40-T42 PolarHBondContact O-N 3.2Å; K40-A425 WeakPolarHBondContact CA-O 3.4Å; K40-A425 HydrophobicContact CG-CB 4.02Å |
| 41 | I | 87 | Confident | 75.5 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 8% | 0.082 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 127.7 | 173.4 | -67.2 | 171.9 | 0 | 0 | 0 | 108.5 | T43 A327 A425 L427 V474 E493 | I41-T43 HydrophobicContact CG2-CG2 4.4Å; I41-A327 HydrophobicContact CG2-CB 3.75Å; I41-A425 HydrophobicContact CB-CB 4.42Å; I41-A425 WeakPolarHBondContact CG1-O 3.21Å; I41-A425 PolarHBondContact N-O 2.78Å; I41-L427 HydrophobicContact CD1-CB 4.49Å; I41-L427 HydrophobicContact CD1-CD1 3.61Å; I41-L427 HydrophobicContact CD1-CG 3.75Å; I41-V474 HydrophobicContact CD1-CG2 4.17Å; I41-E493 HydrophobicContact CG2-CB 3.7Å |
| 42 | T | 85.1 | Confident | 76.9 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -88 | 128.5 | 171 | -54.7 | 0 | 0 | 0 | 0 | 108.1 | K40 A327 | K40-T42 PolarHBondContact O-N 3.2Å; T42-A327 WeakPolarHBondContact O-CB 3.43Å |
| 43 | T | 87.8 | Confident | 78.8 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | trans | -110.2 | 165.3 | 176.4 | 95 | 0 | 0 | 0 | 0 | 109.4 | I41 V45 L48 E493 | I41-T43 HydrophobicContact CG2-CG2 4.4Å; T43-V45 PolarHBondContact O-N 3.33Å; T43-V45 PolarHBondContact OG1-N 3.19Å; T43-V45 PolarHBondContact OG1-O 2.81Å; T43-L48 HydrophobicContact CG2-CD2 4.16Å; T43-E493 WeakPolarHBondContact CG2-O 3.44Å | ||
| 44 | Y | 88.4 | Confident | 80.7 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -71.4 | -15.1 | 173.6 | 67.6 | -96.7 | 0 | 0 | 0 | 112.7 | S64 W65 L66 A324 L492 | Y44-S64 PolarHBondContact OH-OG 2.93Å; Y44-W65 HydrophobicContact CD2-CB 4.01Å; Y44-W65 HydrophobicContact CE2-CB 3.91Å; Y44-L66 HydrophobicContact CD1-CD1 4.01Å; Y44-L66 HydrophobicContact CD1-CD2 4.35Å; Y44-L66 HydrophobicContact CD1-CG 4.23Å; Y44-L66 HydrophobicContact CD2-CD1 4.13Å; Y44-L66 HydrophobicContact CD2-CD2 3.95Å; Y44-L66 HydrophobicContact CD2-CG 3.56Å; Y44-L66 HydrophobicContact CE1-CD1 3.77Å; Y44-L66 HydrophobicContact CE1-CG 4.28Å; Y44-L66 HydrophobicContact CE2-CD1 3.88Å; Y44-L66 HydrophobicContact CE2-CD2 4.48Å; Y44-L66 HydrophobicContact CE2-CG 3.61Å; Y44-L66 HydrophobicContact CG-CD1 4.17Å; Y44-L66 HydrophobicContact CG-CD2 3.84Å; Y44-L66 HydrophobicContact CG-CG 3.85Å; Y44-A324 HydrophobicContact CE1-CB 3.84Å; Y44-L492 HydrophobicContact CD1-CD2 4.49Å; Y44-L492 HydrophobicContact CE1-CD2 3.41Å; Y44-L492 VanDerWaalsContact CE1-CD2 3.41Å; Y44-L492 HydrophobicContact CE2-CD2 4.46Å; Y44-L492 VanDerWaalsContact CZ-CD2 3.41Å; Y44-L492 WeakPolarHBondContact OH-CD2 3.37Å |
| 45 | V | 89.6 | Confident | 82.8 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -94.8 | 136.5 | 172.6 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | T43 D47 E50 W65 L492 | T43-V45 PolarHBondContact O-N 3.33Å; T43-V45 PolarHBondContact OG1-N 3.19Å; T43-V45 PolarHBondContact OG1-O 2.81Å; V45-D47 WeakPolarHBondContact CG1-O 2.99Å; V45-E50 VanDerWaalsContact CG1-O 3.3Å; V45-E50 WeakPolarHBondContact CG1-O 3.32Å; V45-W65 HydrophobicContact CG1-CG 4.41Å; V45-W65 HydrophobicContact CG2-CB 4.1Å; V45-W65 HydrophobicContact CG2-CG 4.19Å; V45-L492 HydrophobicContact CB-CD1 4.06Å; V45-L492 HydrophobicContact CG2-CD1 3.5Å |
| 46 | S | 84.4 | Confident | 84.7 | Confident | 127 Ų | 127 | 66.4 Ų | 66.4 | 89% | 0.888 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -72.2 | -36.3 | 177 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 47 | D | 89.2 | Confident | 86.6 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | trans | -124.6 | 120.7 | 179.5 | -162.7 | -17.5 | 0 | 0 | 0 | 111.7 | V45 D49 E50 | V45-D47 WeakPolarHBondContact CG1-O 2.99Å; D47-D49 PolarHBondContact O-N 3.06Å; D47-D49 PolarHBondContact OD1-N 2.03Å; D47-E50 HydrophobicContact CB-CB 4.44Å; D47-E50 CarbonylContact O-C 3.39Å; D47-E50 PolarHBondContact O-N 3.2Å | ||
| 48 | L | 89.4 | Confident | 88.1 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.3 | 177.7 | -74.3 | 175.9 | 0 | 0 | 0 | 112.8 | T43 Q51 L492 D495 R568 | T43-L48 HydrophobicContact CG2-CD2 4.16Å; L48-Q51 VanDerWaalsContact O-CG 3.23Å; L48-Q51 WeakPolarHBondContact O-CG 3.45Å; L48-Q51 PolarHBondContact O-NE2 2.91Å; L48-L492 HydrophobicContact CD2-CB 4.27Å; L48-L492 HydrophobicContact CD2-CD1 3.98Å; L48-D495 HydrophobicContact CD2-CB 4.47Å; L48-R568 VanDerWaalsContact O-CZ 3.26Å; L48-R568 PolarHBondContact O-NE 3.15Å; L48-R568 PolarHBondContact O-NH2 3.39Å |
| 49 | D | 90.2 | Very high | 89.3 | Confident | 85 Ų | 85 | 76.3 Ų | 76.3 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1 | 170.2 | -66.1 | -46.8 | 0 | 0 | 0 | 112.8 | D47 R568 | D47-D49 PolarHBondContact O-N 3.06Å; D47-D49 PolarHBondContact OD1-N 2.03Å; D49-R568 HydrophobicContact CB-CG 4.49Å; D49-R568 VanDerWaalsContact O-CA 3.26Å; D49-R568 WeakPolarHBondContact O-CA 3.15Å; D49-R568 IonicContact OD1-CZ 2.76Å; D49-R568 VanDerWaalsContact OD1-CZ 3.24Å; D49-R568 IonicContact OD1-NE 3.43Å; D49-R568 PolarHBondContact OD1-NE 3.49Å; D49-R568 IonicContact OD1-NH1 2.86Å; D49-R568 PolarHBondContact OD1-NH1 3.17Å |
| 50 | E | 92.6 | Very high | 90.2 | Very high | 119 Ų | 119 | 71.7 Ų | 71.7 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | trans | -137.6 | 71.6 | 174.1 | -66.4 | -174.1 | -172.9 | 0 | 0 | 110.7 | V45 D47 W65 | V45-E50 VanDerWaalsContact CG1-O 3.3Å; V45-E50 WeakPolarHBondContact CG1-O 3.32Å; D47-E50 HydrophobicContact CB-CB 4.44Å; D47-E50 CarbonylContact O-C 3.39Å; D47-E50 PolarHBondContact O-N 3.2Å; E50-W65 PolarHBondContact O-NE1 3.41Å | ||
| 51 | Q | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -85.8 | -7.9 | -167.5 | -58.7 | -170.1 | 20.7 | 0 | 0 | 115.8 | L48 W65 L492 D495 P503 R568 T570 | L48-Q51 VanDerWaalsContact O-CG 3.23Å; L48-Q51 WeakPolarHBondContact O-CG 3.45Å; L48-Q51 PolarHBondContact O-NE2 2.91Å; Q51-W65 VanDerWaalsContact C-CD1 3.45Å; Q51-L492 HydrophobicContact CB-CD1 3.99Å; Q51-L492 HydrophobicContact CG-CD1 3.78Å; Q51-D495 PolarHBondContact NE2-OD2 3.07Å; Q51-D495 PolarHBondContact OE1-OD2 3.42Å; Q51-P503 HydrophobicContact CB-CB 4.19Å; Q51-P503 HydrophobicContact CB-CG 4.08Å; Q51-P503 WeakPolarHBondContact O-CB 3.3Å; Q51-P503 WeakPolarHBondContact O-CG 3.05Å; Q51-R568 WeakPolarHBondContact CB-O 3.48Å; Q51-R568 PolarHBondContact N-O 2.8Å; Q51-T570 HydrophobicContact CB-CG2 3.9Å; Q51-T570 HydrophobicContact CG-CG2 3.96Å | ||
| 52 | S | 96.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 158.2 | 177.6 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | R62 I63 G569 | S52-R62 WeakPolarHBondContact OG-CD 3.42Å; S52-R62 PolarHBondContact OG-NH1 3.04Å; S52-I63 WeakPolarHBondContact CB-O 3.45Å; S52-G569 WeakPolarHBondContact CB-O 3.31Å; S52-G569 WeakPolarHBondContact OG-CA 3.1Å; S52-G569 PolarHBondContact OG-O 3.46Å |
| 53 | I | 95.1 | Very high | 91.9 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140.5 | 179.7 | -51.2 | 170.2 | 0 | 0 | 0 | 109.1 | H55 R62 I63 W65 D68 | I53-H55 PolarHBondContact O-N 2.94Å; I53-R62 CarbonylContact O-C 3.5Å; I53-R62 WeakPolarHBondContact O-CA 3.4Å; I53-I63 HydrophobicContact CB-CG2 3.86Å; I53-I63 PolarHBondContact N-O 3.44Å; I53-I63 PolarHBondContact O-N 3.41Å; I53-W65 HydrophobicContact CD1-CD2 3.68Å; I53-W65 HydrophobicContact CD1-CE3 3.38Å; I53-W65 HydrophobicContact CD1-CG 4.26Å; I53-W65 HydrophobicContact CD1-CH2 4.29Å; I53-W65 HydrophobicContact CD1-CZ3 3.7Å; I53-W65 HydrophobicContact CG1-CD2 3.43Å; I53-W65 VanDerWaalsContact CG1-CD2 3.43Å; I53-W65 HydrophobicContact CG1-CE3 3.61Å; I53-W65 HydrophobicContact CG1-CG 3.98Å; I53-W65 HydrophobicContact CG1-CH2 3.94Å; I53-W65 HydrophobicContact CG1-CZ2 3.81Å; I53-W65 HydrophobicContact CG1-CZ3 3.84Å; I53-D68 HydrophobicContact CD1-CB 4.22Å |
| 54 | L | 94.4 | Very high | 92.3 | Very high | 87 Ų | 87 | 61.8 Ų | 61.8 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 109.3 | 165.9 | -174 | 67.9 | 0 | 0 | 0 | 109.2 | E57 | L54-E57 HydrophobicContact CD2-CG 3.97Å |
| 55 | H | 95 | Very high | 92.7 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -36.2 | -177.5 | 169.8 | -98.5 | 0 | 0 | 0 | 112.7 | I53 S61 I63 L509 | I53-H55 PolarHBondContact O-N 2.94Å; H55-S61 WeakPolarHBondContact CB-O 3.48Å; H55-S61 PolarHBondContact N-O 3.1Å; H55-S61 PolarHBondContact ND1-OG 3.28Å; H55-I63 HydrophobicContact CB-CB 4Å; H55-I63 HydrophobicContact CB-CG2 3.86Å; H55-L509 HydrophobicContact CB-CD2 4.07Å |
| 56 | S | 92 | Very high | 92.9 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 118.8 | -179.9 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | K58 E59 R60 S61 | S56-K58 VanDerWaalsContact C-N 3.28Å; S56-K58 PolarHBondContact O-N 3.32Å; S56-E59 PolarHBondContact OG-N 2.95Å; S56-R60 VanDerWaalsContact O-CA 3.25Å; S56-R60 WeakPolarHBondContact O-CA 3.49Å; S56-R60 PolarHBondContact O-N 3.21Å; S56-S61 WeakPolarHBondContact CB-OG 3.09Å; S56-S61 PolarHBondContact N-O 3.48Å; S56-S61 PolarHBondContact N-OG 3.12Å; S56-S61 PolarHBondContact O-N 3.1Å |
| 57 | E | 89 | Confident | 93.5 | Very high | 171 Ų | 171 | 58.7 Ų | 58.7 | 80% | 0.799 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -39.2 | 174.2 | -69.3 | -168.8 | 169.8 | 0 | 0 | 111.4 | L54 R60 | L54-E57 HydrophobicContact CD2-CG 3.97Å; E57-R60 PolarHBondContact O-N 3.4Å |
| 58 | K | 89.1 | Confident | 93.5 | Very high | 198 Ų | 198 | 61.3 Ų | 61.3 | 86% | 0.861 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -45.2 | -178.1 | -177 | -173 | 174.2 | -167.2 | 0 | 112 | S56 | S56-K58 VanDerWaalsContact C-N 3.28Å; S56-K58 PolarHBondContact O-N 3.32Å |
| 59 | E | 88.9 | Confident | 93.7 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -8.8 | -178.6 | -65.2 | -171.2 | 118.6 | 0 | 0 | 112.9 | S56 S61 W556 | S56-E59 PolarHBondContact OG-N 2.95Å; E59-S61 PolarHBondContact O-N 3.16Å; E59-S61 VanDerWaalsContact O-N 3.12Å; E59-W556 PolarHBondContact OE1-NE1 2.76Å |
| 60 | R | 93.1 | Very high | 93.8 | Very high | 84 Ų | 84 | 62.6 Ų | 62.6 | 32% | 0.317 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 31.1 | -169.6 | -58.8 | 177.2 | 67.4 | 137.4 | -9.5 | 112.8 | S56 E57 A522 E523 D525 | S56-R60 VanDerWaalsContact O-CA 3.25Å; S56-R60 WeakPolarHBondContact O-CA 3.49Å; S56-R60 PolarHBondContact O-N 3.21Å; E57-R60 PolarHBondContact O-N 3.4Å; R60-A522 PolarHBondContact NE-O 3.11Å; R60-A522 VanDerWaalsContact NE-O 3.16Å; R60-A522 PolarHBondContact NH2-O 2.84Å; R60-E523 VanDerWaalsContact NH1-CA 3.28Å; R60-E523 PolarHBondContact NH1-O 3.48Å; R60-E523 PolarHBondContact NH2-O 3.21Å; R60-D525 IonicContact CZ-OD1 2.74Å; R60-D525 IonicContact NE-OD1 2.89Å; R60-D525 IonicContact NH2-OD1 3.75Å; R60-D525 PolarHBondContact NH2-OD1 3.06Å; R60-D525 IonicContact NH2-OD2 3.84Å |
| 61 | S | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 140.9 | -179.4 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | H55 S56 E59 I510 | H55-S61 WeakPolarHBondContact CB-O 3.48Å; H55-S61 PolarHBondContact N-O 3.1Å; H55-S61 PolarHBondContact ND1-OG 3.28Å; S56-S61 WeakPolarHBondContact CB-OG 3.09Å; S56-S61 PolarHBondContact N-O 3.48Å; S56-S61 PolarHBondContact N-OG 3.12Å; S56-S61 PolarHBondContact O-N 3.1Å; E59-S61 PolarHBondContact O-N 3.16Å; E59-S61 VanDerWaalsContact O-N 3.12Å; S61-I510 CarbonylContact C-O 3.45Å; S61-I510 WeakPolarHBondContact CA-O 3.35Å |
| 62 | R | 97.4 | Very high | 94 | Very high | 47 Ų | 47 | 65.2 Ų | 65.2 | 18% | 0.177 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 151.6 | 174.8 | -67.6 | -179.3 | 174 | -99.4 | 1.8 | 111.9 | S52 I53 P504 I510 W565 | S52-R62 WeakPolarHBondContact OG-CD 3.42Å; S52-R62 PolarHBondContact OG-NH1 3.04Å; I53-R62 CarbonylContact O-C 3.5Å; I53-R62 WeakPolarHBondContact O-CA 3.4Å; R62-P504 HydrophobicContact CB-CG 4.24Å; R62-I510 PolarHBondContact N-O 3.49Å; R62-I510 PolarHBondContact O-N 3.28Å; R62-I510 VanDerWaalsContact O-N 3.12Å; R62-W565 HydrophobicContact CB-CH2 3.92Å; R62-W565 HydrophobicContact CB-CZ2 3.9Å; R62-W565 VanDerWaalsContact CD-CD2 3.46Å; R62-W565 VanDerWaalsContact CD-CE2 3.48Å; R62-W565 HydrophobicContact CG-CH2 4.32Å; R62-W565 HydrophobicContact CG-CZ2 4Å |
| 63 | I | 97.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.7 | 178.3 | -163.2 | 174.3 | 0 | 0 | 0 | 110.4 | S52 I53 H55 C67 L72 L509 | S52-I63 WeakPolarHBondContact CB-O 3.45Å; I53-I63 HydrophobicContact CB-CG2 3.86Å; I53-I63 PolarHBondContact N-O 3.44Å; I53-I63 PolarHBondContact O-N 3.41Å; H55-I63 HydrophobicContact CB-CB 4Å; H55-I63 HydrophobicContact CB-CG2 3.86Å; I63-C67 HydrophobicContact CD1-CB 3.45Å; I63-C67 VanDerWaalsContact CD1-CB 3.45Å; I63-C67 HydrophobicContact CG1-CB 3.76Å; I63-L72 HydrophobicContact CD1-CD2 3.81Å; I63-L72 HydrophobicContact CG1-CD2 3.93Å; I63-L509 HydrophobicContact CB-CD2 3.66Å; I63-L509 HydrophobicContact CD1-CD2 3.85Å; I63-L509 HydrophobicContact CG1-CD2 3.75Å |
| 64 | S | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 146.6 | 174.4 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | Y44 L66 C67 P504 | Y44-S64 PolarHBondContact OH-OG 2.93Å; S64-L66 PolarHBondContact O-N 3.3Å; S64-L66 VanDerWaalsContact O-N 3.15Å; S64-L66 PolarHBondContact OG-N 3.31Å; S64-C67 WeakPolarHBondContact O-CB 3.38Å; S64-C67 PolarHBondContact O-N 3.46Å; S64-P504 VanDerWaalsContact CB-O 3.31Å; S64-P504 WeakPolarHBondContact CB-O 3.28Å |
| 65 | W | 96 | Very high | 94.4 | Very high | 87 Ų | 87 | 68.8 Ų | 68.8 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.1 | -14.1 | 166.7 | -79.2 | 106.4 | 0 | 0 | 0 | 114.3 | Y44 V45 E50 Q51 I53 C67 | Y44-W65 HydrophobicContact CD2-CB 4.01Å; Y44-W65 HydrophobicContact CE2-CB 3.91Å; V45-W65 HydrophobicContact CG1-CG 4.41Å; V45-W65 HydrophobicContact CG2-CB 4.1Å; V45-W65 HydrophobicContact CG2-CG 4.19Å; E50-W65 PolarHBondContact O-NE1 3.41Å; Q51-W65 VanDerWaalsContact C-CD1 3.45Å; I53-W65 HydrophobicContact CD1-CD2 3.68Å; I53-W65 HydrophobicContact CD1-CE3 3.38Å; I53-W65 HydrophobicContact CD1-CG 4.26Å; I53-W65 HydrophobicContact CD1-CH2 4.29Å; I53-W65 HydrophobicContact CD1-CZ3 3.7Å; I53-W65 HydrophobicContact CG1-CD2 3.43Å; I53-W65 VanDerWaalsContact CG1-CD2 3.43Å; I53-W65 HydrophobicContact CG1-CE3 3.61Å; I53-W65 HydrophobicContact CG1-CG 3.98Å; I53-W65 HydrophobicContact CG1-CH2 3.94Å; I53-W65 HydrophobicContact CG1-CZ2 3.81Å; I53-W65 HydrophobicContact CG1-CZ3 3.84Å; W65-C67 PolarHBondContact O-N 3.12Å |
| 66 | L | 94.8 | Very high | 94.4 | Very high | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -71.1 | -6.7 | 171 | -72.4 | 162.9 | 0 | 0 | 0 | 113.1 | Y44 S64 K73 A324 P506 | Y44-L66 HydrophobicContact CD1-CD1 4.01Å; Y44-L66 HydrophobicContact CD1-CD2 4.35Å; Y44-L66 HydrophobicContact CD1-CG 4.23Å; Y44-L66 HydrophobicContact CD2-CD1 4.13Å; Y44-L66 HydrophobicContact CD2-CD2 3.95Å; Y44-L66 HydrophobicContact CD2-CG 3.56Å; Y44-L66 HydrophobicContact CE1-CD1 3.77Å; Y44-L66 HydrophobicContact CE1-CG 4.28Å; Y44-L66 HydrophobicContact CE2-CD1 3.88Å; Y44-L66 HydrophobicContact CE2-CD2 4.48Å; Y44-L66 HydrophobicContact CE2-CG 3.61Å; Y44-L66 HydrophobicContact CG-CD1 4.17Å; Y44-L66 HydrophobicContact CG-CD2 3.84Å; Y44-L66 HydrophobicContact CG-CG 3.85Å; S64-L66 PolarHBondContact O-N 3.3Å; S64-L66 VanDerWaalsContact O-N 3.15Å; S64-L66 PolarHBondContact OG-N 3.31Å; L66-K73 WeakPolarHBondContact O-CE 3.46Å; L66-K73 PolarHBondContact O-NZ 3.01Å; L66-A324 HydrophobicContact CD1-CB 4.43Å; L66-P506 HydrophobicContact CB-CB 4.27Å; L66-P506 HydrophobicContact CB-CG 3.94Å; L66-P506 HydrophobicContact CD1-CG 3.53Å; L66-P506 HydrophobicContact CG-CG 4.38Å |
| 67 | C | 95.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -127.7 | 49.4 | -179.2 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | I63 S64 W65 D69 G70 E71 P506 | I63-C67 HydrophobicContact CD1-CB 3.45Å; I63-C67 VanDerWaalsContact CD1-CB 3.45Å; I63-C67 HydrophobicContact CG1-CB 3.76Å; S64-C67 WeakPolarHBondContact O-CB 3.38Å; S64-C67 PolarHBondContact O-N 3.46Å; W65-C67 PolarHBondContact O-N 3.12Å; C67-D69 PolarHBondContact O-N 2.82Å; C67-G70 PolarHBondContact O-N 3.46Å; C67-E71 VanDerWaalsContact CB-O 3.23Å; C67-E71 WeakPolarHBondContact CB-O 3.4Å; C67-E71 PolarHBondContact SG-O 3.16Å; C67-P506 PolarHBondContact SG-O 3.07Å; C67-P506 VanDerWaalsContact SG-O 3.34Å |
| 68 | D | 90 | Very high | 94.9 | Very high | 125 Ų | 125 | 65 Ų | 65 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.6 | -177.2 | 63.4 | -22.3 | 0 | 0 | 0 | 113.8 | I53 | I53-D68 HydrophobicContact CD1-CB 4.22Š|
| 69 | D | 92.9 | Very high | 95.2 | Very high | 118 Ų | 118 | 58.9 Ų | 58.9 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.4 | 167.6 | 61.8 | -1.1 | 0 | 0 | 0 | 113.8 | C67 E71 | C67-D69 PolarHBondContact O-N 2.82Å; D69-E71 VanDerWaalsContact C-N 3.34Å; D69-E71 PolarHBondContact OD1-N 2.91Å |
| 70 | G | 92.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 85 | 0.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C67 | C67-G70 PolarHBondContact O-N 3.46Š|
| 71 | E | 95.8 | Very high | 95.9 | Very high | 139 Ų | 139 | 56.8 Ų | 56.8 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -102.6 | 130.9 | -176.3 | -65.8 | -67.1 | 155.2 | 0 | 0 | 111.5 | C67 D69 | C67-E71 VanDerWaalsContact CB-O 3.23Å; C67-E71 WeakPolarHBondContact CB-O 3.4Å; C67-E71 PolarHBondContact SG-O 3.16Å; D69-E71 VanDerWaalsContact C-N 3.34Å; D69-E71 PolarHBondContact OD1-N 2.91Å |
| 72 | L | 97.7 | Very high | 96 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 143.8 | 178.7 | -65.3 | 174.3 | 0 | 0 | 0 | 111.4 | I63 L74 P506 L509 | I63-L72 HydrophobicContact CD1-CD2 3.81Å; I63-L72 HydrophobicContact CG1-CD2 3.93Å; L72-L74 PolarHBondContact O-N 3.03Å; L72-P506 WeakPolarHBondContact CD2-O 3.37Å; L72-L509 HydrophobicContact CD1-CG 4.12Å; L72-L509 HydrophobicContact CD2-CD2 4.18Å; L72-L509 HydrophobicContact CD2-CG 4.13Å; L72-L509 HydrophobicContact CG-CG 4.42Å |
| 73 | K | 97.2 | Very high | 96 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 27% | 0.27 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 124.7 | 176 | -63.8 | -167.3 | -176.2 | 178.2 | 0 | 110.9 | L66 T320 S323 P506 | L66-K73 WeakPolarHBondContact O-CE 3.46Å; L66-K73 PolarHBondContact O-NZ 3.01Å; K73-T320 HydrophobicContact CB-CG2 3.68Å; K73-S323 PolarHBondContact NZ-OG 3.32Å; K73-P506 HydrophobicContact CB-CB 3.98Å; K73-P506 HydrophobicContact CD-CB 3.81Å; K73-P506 HydrophobicContact CG-CB 3.87Å; K73-P506 PolarHBondContact N-O 2.92Å |
| 74 | L | 97.5 | Very high | 96 | Very high | 91 Ų | 91 | 55.7 Ų | 55.7 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | trans | -91.6 | -28.5 | 179.1 | -54.8 | -175.4 | 0 | 0 | 0 | 113.4 | L72 A317 P534 | L72-L74 PolarHBondContact O-N 3.03Å; L74-A317 VanDerWaalsContact O-CA 3.24Å; L74-A317 WeakPolarHBondContact O-CA 3.32Å; L74-A317 WeakPolarHBondContact O-CB 3.33Å; L74-A317 PolarHBondContact O-N 3.03Å; L74-P534 HydrophobicContact CD2-CB 3.8Å; L74-P534 HydrophobicContact CD2-CG 3.77Å | ||
| 75 | F | 97.5 | Very high | 96.1 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 26% | 0.263 | 29% | 0.291 | S | S | . | . | trans | -165.2 | 159.1 | -178.5 | 51 | -92 | 0 | 0 | 0 | 110 | Y77 P78 V316 | F75-Y77 VanDerWaalsContact CD2-C 3.5Å; F75-Y77 WeakPolarHBondContact CD2-O 3.28Å; F75-P78 HydrophobicContact CE2-CB 4.27Å; F75-P78 HydrophobicContact CE2-CG 4.14Å; F75-V316 HydrophobicContact CB-CG1 3.68Å | ||
| 76 | L | 95.4 | Very high | 96.2 | Very high | 42 Ų | 42 | 53.6 Ų | 53.6 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -87 | -31.5 | 174.3 | -69.3 | 174.3 | 0 | 0 | 0 | 113.2 | G319 T320 E322 | L76-G319 WeakPolarHBondContact CD1-O 3.46Å; L76-T320 HydrophobicContact CD2-CG2 4.28Å; L76-T320 HydrophobicContact CG-CG2 4.17Å; L76-E322 HydrophobicContact CD1-CB 4.07Å |
| 77 | Y | 96.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | trans | -131.3 | 128.6 | -174 | -58.3 | -68.1 | 0 | 0 | 0 | 110.1 | F75 D79 V80 R89 M356 K357 | F75-Y77 VanDerWaalsContact CD2-C 3.5Å; F75-Y77 WeakPolarHBondContact CD2-O 3.28Å; Y77-D79 WeakPolarHBondContact CB-OD1 3.41Å; Y77-D79 PolarHBondContact O-N 3.45Å; Y77-D79 VanDerWaalsContact O-N 3.16Å; Y77-V80 HydrophobicContact CD2-CG2 4.47Å; Y77-V80 PolarHBondContact O-N 3.03Å; Y77-V80 VanDerWaalsContact O-O 3.13Å; Y77-R89 VanDerWaalsContact CD2-NE 3.34Å; Y77-M356 HydrophobicContact CE2-CB 4.46Å; Y77-K357 HydrophobicContact CE2-CD 4.45Å; Y77-K357 WeakPolarHBondContact OH-CD 3.23Å; Y77-K357 VanDerWaalsContact OH-CE 3.24Å; Y77-K357 WeakPolarHBondContact OH-CE 3.16Å; Y77-K357 PolarHBondContact OH-NZ 3.25Å | ||
| 78 | P | 95.5 | Very high | 96.4 | Very high | 106 Ų | 106 | 54.7 Ų | 54.7 | 69% | 0.688 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.7 | 178.3 | -25.4 | 33.7 | 0 | 0 | 0 | 113.9 | F75 V80 | F75-P78 HydrophobicContact CE2-CB 4.27Å; F75-P78 HydrophobicContact CE2-CG 4.14Å; P78-V80 VanDerWaalsContact C-N 3.31Å |
| 79 | D | 95.6 | Very high | 96.7 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 5.7 | 176.7 | 68 | -23.9 | 0 | 0 | 0 | 113.9 | Y77 R89 K92 | Y77-D79 WeakPolarHBondContact CB-OD1 3.41Å; Y77-D79 PolarHBondContact O-N 3.45Å; Y77-D79 VanDerWaalsContact O-N 3.16Å; D79-R89 IonicContact OD1-CZ 2.73Å; D79-R89 IonicContact OD1-NH1 2.73Å; D79-R89 PolarHBondContact OD1-NH1 3.05Å; D79-R89 IonicContact OD2-NH1 3.88Å; D79-R89 PolarHBondContact OD2-NH1 2.81Å; D79-K92 IonicContact OD2-NZ 2.72Å; D79-K92 PolarHBondContact OD2-NZ 2.83Å |
| 80 | V | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -126 | 98.6 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | Y77 P78 D85 A86 R89 V316 M356 | Y77-V80 HydrophobicContact CD2-CG2 4.47Å; Y77-V80 PolarHBondContact O-N 3.03Å; Y77-V80 VanDerWaalsContact O-O 3.13Å; P78-V80 VanDerWaalsContact C-N 3.31Å; V80-D85 HydrophobicContact CB-CB 4.29Å; V80-D85 HydrophobicContact CG1-CB 4.1Å; V80-D85 HydrophobicContact CG2-CB 4.37Å; V80-A86 HydrophobicContact CG1-CB 4.13Å; V80-R89 HydrophobicContact CG2-CB 3.72Å; V80-R89 HydrophobicContact CG2-CG 4.11Å; V80-V316 HydrophobicContact CG1-CG2 4.46Å; V80-V316 WeakPolarHBondContact O-CG1 3.46Å; V80-M356 HydrophobicContact CB-SD 4.47Å; V80-M356 HydrophobicContact CG1-CG 3.97Å; V80-M356 HydrophobicContact CG1-SD 3.63Å | ||
| 81 | R | 98 | Very high | 97.2 | Very high | 98 Ų | 98 | 46.5 Ų | 46.5 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -115 | -12.7 | 178.6 | -56.6 | -58.1 | -60.7 | -106.7 | -2.8 | 112.1 | D85 P289 | R81-D85 PolarHBondContact N-OD2 3.34Å; R81-P289 HydrophobicContact CB-CG 3.8Å |
| 82 | T | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -133.2 | 163.6 | 174.9 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | Y84 D85 A86 P287 P289 H312 | T82-Y84 PolarHBondContact O-N 2.89Å; T82-Y84 WeakPolarHBondContact OG1-CB 3.42Å; T82-Y84 PolarHBondContact OG1-N 3.32Å; T82-D85 PolarHBondContact N-OD2 3.07Å; T82-D85 WeakPolarHBondContact O-CB 3.47Å; T82-D85 PolarHBondContact O-N 3.32Å; T82-D85 VanDerWaalsContact O-N 3.11Å; T82-D85 PolarHBondContact OG1-N 3.14Å; T82-D85 VanDerWaalsContact OG1-N 3.13Å; T82-D85 PolarHBondContact OG1-OD1 2.81Å; T82-D85 PolarHBondContact OG1-OD2 3.48Å; T82-A86 PolarHBondContact O-N 3.43Å; T82-P287 HydrophobicContact CG2-CG 4.36Å; T82-P287 WeakPolarHBondContact CG2-O 3.44Å; T82-P289 HydrophobicContact CG2-CG 4.41Å; T82-H312 HydrophobicContact CG2-CB 3.89Å |
| 83 | V | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -29.1 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | D85 A86 Y173 H312 I315 I352 | V83-D85 VanDerWaalsContact C-N 3.32Å; V83-D85 PolarHBondContact O-N 2.79Å; V83-A86 WeakPolarHBondContact O-CB 3.34Å; V83-A86 PolarHBondContact O-N 2.97Å; V83-Y173 HydrophobicContact CB-CE2 4.12Å; V83-Y173 HydrophobicContact CG1-CD2 4.35Å; V83-Y173 HydrophobicContact CG1-CE2 3.65Å; V83-H312 PolarHBondContact N-ND1 2.9Å; V83-I315 HydrophobicContact CG2-CB 4.09Å; V83-I315 HydrophobicContact CG2-CD1 4.23Å; V83-I315 HydrophobicContact CG2-CG2 3.85Å; V83-I352 HydrophobicContact CG1-CD1 3.92Å; V83-I352 HydrophobicContact CG1-CG1 4.05Å; V83-I352 HydrophobicContact CG2-CD1 4.02Å |
| 84 | Y | 98.1 | Very high | 97.2 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -36.9 | 172.6 | 176.3 | -88.3 | 0 | 0 | 0 | 112.4 | T82 R88 V174 P286 | T82-Y84 PolarHBondContact O-N 2.89Å; T82-Y84 WeakPolarHBondContact OG1-CB 3.42Å; T82-Y84 PolarHBondContact OG1-N 3.32Å; Y84-R88 VanDerWaalsContact CE2-NH2 3.26Å; Y84-R88 VanDerWaalsContact CZ-NH1 3.26Å; Y84-R88 VanDerWaalsContact CZ-NH2 3.31Å; Y84-R88 PolarHBondContact O-NH1 2.86Å; Y84-R88 PolarHBondContact OH-NE 3.45Å; Y84-R88 PolarHBondContact OH-NH2 3.02Å; Y84-R88 VanDerWaalsContact OH-NH2 3.15Å; Y84-V174 HydrophobicContact CE2-CG2 4.4Å; Y84-P286 HydrophobicContact CD1-CB 3.69Å; Y84-P286 HydrophobicContact CD2-CB 4.4Å; Y84-P286 HydrophobicContact CE1-CB 3.46Å; Y84-P286 VanDerWaalsContact CE1-CB 3.46Å; Y84-P286 HydrophobicContact CE1-CG 4.28Å; Y84-P286 HydrophobicContact CE2-CB 4.2Å; Y84-P286 HydrophobicContact CG-CB 4.15Å |
| 85 | D | 98.3 | Very high | 97.2 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 24% | 0.235 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.7 | -34.3 | 176 | -56.6 | -37.9 | 0 | 0 | 0 | 111.8 | V80 R81 T82 V83 I87 R88 R89 | V80-D85 HydrophobicContact CB-CB 4.29Å; V80-D85 HydrophobicContact CG1-CB 4.1Å; V80-D85 HydrophobicContact CG2-CB 4.37Å; R81-D85 PolarHBondContact N-OD2 3.34Å; T82-D85 PolarHBondContact N-OD2 3.07Å; T82-D85 WeakPolarHBondContact O-CB 3.47Å; T82-D85 PolarHBondContact O-N 3.32Å; T82-D85 VanDerWaalsContact O-N 3.11Å; T82-D85 PolarHBondContact OG1-N 3.14Å; T82-D85 VanDerWaalsContact OG1-N 3.13Å; T82-D85 PolarHBondContact OG1-OD1 2.81Å; T82-D85 PolarHBondContact OG1-OD2 3.48Å; V83-D85 VanDerWaalsContact C-N 3.32Å; V83-D85 PolarHBondContact O-N 2.79Å; D85-I87 PolarHBondContact O-N 3.13Å; D85-R88 CarbonylContact O-C 3.47Å; D85-R88 PolarHBondContact O-N 2.96Å; D85-R88 VanDerWaalsContact O-N 3.15Å; D85-R89 WeakPolarHBondContact O-CB 3.33Å; D85-R89 PolarHBondContact O-N 2.54Å |
| 86 | A | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.9 | -51.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V80 T82 V83 R88 R89 G90 I352 M355 M356 | V80-A86 HydrophobicContact CG1-CB 4.13Å; T82-A86 PolarHBondContact O-N 3.43Å; V83-A86 WeakPolarHBondContact O-CB 3.34Å; V83-A86 PolarHBondContact O-N 2.97Å; A86-R88 VanDerWaalsContact C-N 3.33Å; A86-R88 PolarHBondContact O-N 3.42Å; A86-R89 WeakPolarHBondContact O-CB 3.4Å; A86-R89 PolarHBondContact O-N 3.11Å; A86-G90 PolarHBondContact O-N 2.93Å; A86-G90 VanDerWaalsContact O-N 3.12Å; A86-I352 HydrophobicContact CB-CG2 4.26Å; A86-M355 CarbonylContact O-C 3.55Å; A86-M356 HydrophobicContact CB-CG 3.37Å; A86-M356 HydrophobicContact CB-SD 4.37Å |
| 87 | I | 96.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -33.9 | 179 | -164.3 | 169.3 | 0 | 0 | 0 | 112.3 | D85 G90 L91 Y118 V121 I122 Q170 M355 | D85-I87 PolarHBondContact O-N 3.13Å; I87-G90 PolarHBondContact O-N 2.86Å; I87-L91 PolarHBondContact O-N 3.04Å; I87-Y118 HydrophobicContact CG1-CD1 3.8Å; I87-Y118 HydrophobicContact CG1-CE1 4.05Å; I87-Y118 WeakPolarHBondContact O-CD1 3.5Å; I87-V121 HydrophobicContact CD1-CB 4.42Å; I87-V121 HydrophobicContact CD1-CG1 3.65Å; I87-I122 HydrophobicContact CD1-CG1 4.33Å; I87-I122 HydrophobicContact CG1-CD1 4.46Å; I87-I122 HydrophobicContact CG1-CG1 4.3Å; I87-I122 HydrophobicContact CG2-CD1 4.46Å; I87-I122 HydrophobicContact CG2-CG1 4.25Å; I87-Q170 HydrophobicContact CD1-CG 4.02Å; I87-M355 HydrophobicContact CB-SD 4.27Å; I87-M355 HydrophobicContact CD1-SD 4.27Å; I87-M355 HydrophobicContact CG1-SD 4.31Å |
| 88 | R | 97.9 | Very high | 97.2 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 21% | 0.208 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.1 | -33.2 | 177.5 | -74.6 | 175.4 | 172.3 | 67.6 | 7.2 | 112.2 | Y84 D85 A86 L91 K92 I122 E126 | Y84-R88 VanDerWaalsContact CE2-NH2 3.26Å; Y84-R88 VanDerWaalsContact CZ-NH1 3.26Å; Y84-R88 VanDerWaalsContact CZ-NH2 3.31Å; Y84-R88 PolarHBondContact O-NH1 2.86Å; Y84-R88 PolarHBondContact OH-NE 3.45Å; Y84-R88 PolarHBondContact OH-NH2 3.02Å; Y84-R88 VanDerWaalsContact OH-NH2 3.15Å; D85-R88 CarbonylContact O-C 3.47Å; D85-R88 PolarHBondContact O-N 2.96Å; D85-R88 VanDerWaalsContact O-N 3.15Å; A86-R88 VanDerWaalsContact C-N 3.33Å; A86-R88 PolarHBondContact O-N 3.42Å; R88-L91 WeakPolarHBondContact O-CB 3.23Å; R88-L91 PolarHBondContact O-N 3.21Å; R88-K92 PolarHBondContact O-N 3.41Å; R88-K92 VanDerWaalsContact O-N 3.12Å; R88-I122 HydrophobicContact CG-CD1 4.07Å; R88-E126 IonicContact NH2-OE1 2.72Å; R88-E126 PolarHBondContact NH2-OE1 2.98Å |
| 89 | R | 97.9 | Very high | 97.2 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 167.8 | 177 | 172.1 | 179.2 | 69.4 | 6.6 | 110.7 | Y77 D79 V80 D85 A86 L91 K92 V93 M356 | Y77-R89 VanDerWaalsContact CD2-NE 3.34Å; D79-R89 IonicContact OD1-CZ 2.73Å; D79-R89 IonicContact OD1-NH1 2.73Å; D79-R89 PolarHBondContact OD1-NH1 3.05Å; D79-R89 IonicContact OD2-NH1 3.88Å; D79-R89 PolarHBondContact OD2-NH1 2.81Å; V80-R89 HydrophobicContact CG2-CB 3.72Å; V80-R89 HydrophobicContact CG2-CG 4.11Å; D85-R89 WeakPolarHBondContact O-CB 3.33Å; D85-R89 PolarHBondContact O-N 2.54Å; A86-R89 WeakPolarHBondContact O-CB 3.4Å; A86-R89 PolarHBondContact O-N 3.11Å; R89-L91 VanDerWaalsContact C-N 3.31Å; R89-L91 PolarHBondContact O-N 3.38Å; R89-K92 PolarHBondContact O-N 3.23Å; R89-K92 VanDerWaalsContact O-N 3.13Å; R89-V93 HydrophobicContact CG-CG2 3.92Å; R89-V93 WeakPolarHBondContact O-CB 3.12Å; R89-V93 WeakPolarHBondContact O-CG2 3.23Å; R89-V93 PolarHBondContact O-N 3.4Å; R89-M356 VanDerWaalsContact CD-O 3.28Å; R89-M356 WeakPolarHBondContact CD-O 3.44Å; R89-M356 WeakPolarHBondContact CG-O 3.29Å; R89-M356 PolarHBondContact NE-O 2.97Å |
| 90 | G | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.4 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A86 I87 K92 V93 T94 M355 | A86-G90 PolarHBondContact O-N 2.93Å; A86-G90 VanDerWaalsContact O-N 3.12Å; I87-G90 PolarHBondContact O-N 2.86Å; G90-K92 PolarHBondContact O-N 3.42Å; G90-V93 PolarHBondContact O-N 3.35Å; G90-T94 WeakPolarHBondContact O-CB 3.14Å; G90-T94 VanDerWaalsContact O-CG2 3.31Å; G90-T94 WeakPolarHBondContact O-CG2 3.36Å; G90-T94 PolarHBondContact O-N 2.87Å; G90-T94 VanDerWaalsContact O-N 3.09Å; G90-T94 PolarHBondContact O-OG1 3.43Å; G90-M355 WeakPolarHBondContact CA-O 3.44Å; G90-M355 PolarHBondContact N-O 3.34Å |
| 91 | L | 97.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 39.4 Ų | 39.4 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54.3 | -51.4 | 172.9 | 175.4 | 65.9 | 0 | 0 | 0 | 112.1 | I87 R88 R89 T94 N95 N96 Y118 I122 | I87-L91 PolarHBondContact O-N 3.04Å; R88-L91 WeakPolarHBondContact O-CB 3.23Å; R88-L91 PolarHBondContact O-N 3.21Å; R89-L91 VanDerWaalsContact C-N 3.31Å; R89-L91 PolarHBondContact O-N 3.38Å; L91-T94 PolarHBondContact O-OG1 3.4Å; L91-N95 WeakPolarHBondContact O-CA 3.41Å; L91-N95 PolarHBondContact O-N 3.41Å; L91-N95 VanDerWaalsContact O-N 3.07Å; L91-N96 HydrophobicContact CD1-CB 3.75Å; L91-N96 WeakPolarHBondContact CD1-OD1 3.33Å; L91-N96 PolarHBondContact O-N 3.32Å; L91-Y118 HydrophobicContact CB-CG 4.5Å; L91-I122 HydrophobicContact CB-CD1 3.92Å; L91-I122 HydrophobicContact CD2-CD1 3.76Å; L91-I122 HydrophobicContact CG-CD1 4.34Å |
| 92 | K | 97.6 | Very high | 96.4 | Very high | 142 Ų | 142 | 35.5 Ų | 35.5 | 62% | 0.617 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65 | -46.1 | -178.7 | 173 | -177 | 160.4 | -168.3 | 0 | 112.6 | D79 R88 R89 G90 T94 N95 | D79-K92 IonicContact OD2-NZ 2.72Å; D79-K92 PolarHBondContact OD2-NZ 2.83Å; R88-K92 PolarHBondContact O-N 3.41Å; R88-K92 VanDerWaalsContact O-N 3.12Å; R89-K92 PolarHBondContact O-N 3.23Å; R89-K92 VanDerWaalsContact O-N 3.13Å; G90-K92 PolarHBondContact O-N 3.42Å; K92-T94 VanDerWaalsContact C-N 3.32Å; K92-T94 PolarHBondContact O-N 3.18Å; K92-N95 PolarHBondContact O-N 3.09Å |
| 93 | V | 96.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 32% | 0.315 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.4 | -34.3 | -176.2 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | R89 G90 | R89-V93 HydrophobicContact CG-CG2 3.92Å; R89-V93 WeakPolarHBondContact O-CB 3.12Å; R89-V93 WeakPolarHBondContact O-CG2 3.23Å; R89-V93 PolarHBondContact O-N 3.4Å; G90-V93 PolarHBondContact O-N 3.35Å |
| 94 | T | 96.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 17% | 0.166 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -91.8 | -11.7 | -178.2 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | G90 L91 K92 N96 G97 Y118 K332 G358 | G90-T94 WeakPolarHBondContact O-CB 3.14Å; G90-T94 VanDerWaalsContact O-CG2 3.31Å; G90-T94 WeakPolarHBondContact O-CG2 3.36Å; G90-T94 PolarHBondContact O-N 2.87Å; G90-T94 VanDerWaalsContact O-N 3.09Å; G90-T94 PolarHBondContact O-OG1 3.43Å; L91-T94 PolarHBondContact O-OG1 3.4Å; K92-T94 VanDerWaalsContact C-N 3.32Å; K92-T94 PolarHBondContact O-N 3.18Å; T94-N96 PolarHBondContact OG1-N 3.43Å; T94-G97 PolarHBondContact OG1-N 3.38Å; T94-Y118 HydrophobicContact CG2-CD2 4.39Å; T94-Y118 HydrophobicContact CG2-CE2 4.12Å; T94-K332 HydrophobicContact CG2-CB 4.17Å; T94-G358 VanDerWaalsContact CG2-CA 3.48Å; T94-G358 WeakPolarHBondContact CG2-O 3.49Å |
| 95 | N | 97 | Very high | 94.4 | Very high | 148 Ų | 148 | 45 Ų | 45 | 79% | 0.791 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 54.6 | -166.3 | -172.1 | 49.8 | 0 | 0 | 0 | 111.3 | L91 K92 | L91-N95 WeakPolarHBondContact O-CA 3.41Å; L91-N95 PolarHBondContact O-N 3.41Å; L91-N95 VanDerWaalsContact O-N 3.07Å; K92-N95 PolarHBondContact O-N 3.09Å |
| 96 | N | 97 | Very high | 93.5 | Very high | 76 Ų | 76 | 44.3 Ų | 44.3 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 63 | 45.9 | -177 | -163.5 | 31.7 | 0 | 0 | 0 | 114.9 | L91 T94 S117 G119 | L91-N96 HydrophobicContact CD1-CB 3.75Å; L91-N96 WeakPolarHBondContact CD1-OD1 3.33Å; L91-N96 PolarHBondContact O-N 3.32Å; T94-N96 PolarHBondContact OG1-N 3.43Å; N96-S117 WeakPolarHBondContact OD1-CB 3.48Å; N96-S117 PolarHBondContact OD1-OG 3.24Å; N96-G119 VanDerWaalsContact OD1-CA 3.26Å; N96-G119 WeakPolarHBondContact OD1-CA 3.46Å; N96-G119 PolarHBondContact OD1-N 2.86Å |
| 97 | G | 96.2 | Very high | 92.7 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | trans | -71.8 | 177.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | T94 S117 Y118 | T94-G97 PolarHBondContact OG1-N 3.38Å; G97-S117 CarbonylContact O-C 3.54Å; G97-S117 WeakPolarHBondContact O-CA 3.19Å; G97-Y118 WeakPolarHBondContact O-CD2 3.49Å; G97-Y118 PolarHBondContact O-N 2.8Å | ||
| 98 | P | 95.9 | Very high | 92.1 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 31% | 0.305 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 139.4 | 173.5 | 28.5 | -35.7 | 0 | 0 | 0 | 111.1 | W115 Y118 K360 | P98-W115 HydrophobicContact CB-CB 3.95Å; P98-W115 HydrophobicContact CB-CD2 4.19Å; P98-W115 HydrophobicContact CB-CE3 4.08Å; P98-W115 HydrophobicContact CB-CG 4.16Å; P98-Y118 WeakPolarHBondContact O-CE2 3.2Å; P98-K360 HydrophobicContact CB-CD 4.29Å; P98-K360 HydrophobicContact CB-CG 4.43Å; P98-K360 HydrophobicContact CG-CD 3.62Å; P98-K360 HydrophobicContact CG-CG 4.01Å |
| 99 | C | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -67.4 | -178.4 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | L116 Y118 V121 I361 | C99-L116 PolarHBondContact N-O 3.24Å; C99-Y118 HydrophobicContact CB-CD1 4.02Å; C99-Y118 HydrophobicContact CB-CD2 3.57Å; C99-Y118 HydrophobicContact CB-CE1 4.14Å; C99-Y118 HydrophobicContact CB-CE2 3.67Å; C99-Y118 HydrophobicContact CB-CG 3.71Å; C99-Y118 VanDerWaalsContact SG-CE1 3.51Å; C99-V121 HydrophobicContact CB-CG2 4.23Å; C99-I361 PolarHBondContact O-N 3.07Å |
| 100 | L | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.9 | -172.8 | -54.3 | -179.3 | 0 | 0 | 0 | 110.5 | W115 L116 V121 L164 V166 M355 I361 Y363 | L100-W115 CarbonylContact O-C 3.56Å; L100-W115 WeakPolarHBondContact O-CA 3.04Å; L100-L116 PolarHBondContact N-O 3.36Å; L100-L116 PolarHBondContact O-N 3.35Å; L100-V121 HydrophobicContact CB-CG2 4.34Å; L100-V121 HydrophobicContact CD1-CB 4.49Å; L100-V121 HydrophobicContact CD1-CG1 3.86Å; L100-V121 HydrophobicContact CD1-CG2 3.7Å; L100-V121 HydrophobicContact CG-CG2 3.86Å; L100-L164 HydrophobicContact CB-CD1 3.7Å; L100-L164 HydrophobicContact CD1-CB 4.32Å; L100-L164 HydrophobicContact CD1-CD1 3.54Å; L100-L164 HydrophobicContact CD1-CG 4.47Å; L100-L164 HydrophobicContact CG-CD1 4.26Å; L100-V166 HydrophobicContact CD1-CB 3.81Å; L100-V166 HydrophobicContact CD1-CG1 3.85Å; L100-V166 HydrophobicContact CD1-CG2 4.42Å; L100-M355 HydrophobicContact CD2-CE 4.39Å; L100-I361 CarbonylContact C-O 3.42Å; L100-I361 WeakPolarHBondContact CA-O 3.19Å; L100-I361 HydrophobicContact CD2-CB 4.04Å; L100-I361 HydrophobicContact CD2-CD1 4.03Å; L100-Y363 HydrophobicContact CB-CE2 4.22Å; L100-Y363 HydrophobicContact CD2-CE2 4.08Å |
| 101 | G | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A114 W115 I361 G362 Y363 | G101-A114 CarbonylContact C-O 3.5Å; G101-A114 WeakPolarHBondContact CA-O 3.5Å; G101-W115 VanDerWaalsContact CA-CZ3 3.5Å; G101-I361 PolarHBondContact N-O 2.77Å; G101-G362 WeakPolarHBondContact O-CA 3.35Å; G101-Y363 WeakPolarHBondContact O-CD2 3.35Å; G101-Y363 PolarHBondContact O-N 3.46Å |
| 102 | Y | 89.2 | Confident | 89.6 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 155.9 | -177.6 | 66.2 | -85.3 | 0 | 0 | 0 | 115.3 | K104 Y113 A114 P153 D162 | Y102-K104 HydrophobicContact CD2-CB 4.15Å; Y102-K104 HydrophobicContact CE2-CB 3.64Å; Y102-K104 HydrophobicContact CE2-CD 4.11Å; Y102-K104 HydrophobicContact CE2-CG 4.01Å; Y102-K104 PolarHBondContact O-N 3.41Å; Y102-K104 VanDerWaalsContact O-N 3.16Å; Y102-Y113 CarbonylContact O-C 2.99Å; Y102-Y113 VanDerWaalsContact O-CA 3.22Å; Y102-Y113 WeakPolarHBondContact O-CA 3.34Å; Y102-A114 HydrophobicContact CD1-CB 4.37Å; Y102-A114 WeakPolarHBondContact CD1-O 3.01Å; Y102-A114 HydrophobicContact CE1-CB 3.79Å; Y102-A114 HydrophobicContact CE2-CB 3.97Å; Y102-A114 PolarHBondContact N-O 3.39Å; Y102-A114 PolarHBondContact O-N 2.76Å; Y102-P153 VanDerWaalsContact CB-CG 3.46Å; Y102-P153 HydrophobicContact CG-CB 4.11Å; Y102-D162 HydrophobicContact CD1-CB 4.35Å; Y102-D162 HydrophobicContact CE1-CB 3.96Å; Y102-D162 WeakPolarHBondContact CE1-OD2 3.43Å; Y102-D162 WeakPolarHBondContact CE2-OD1 3.42Å; Y102-D162 PolarHBondContact OH-OD1 2.94Å; Y102-D162 PolarHBondContact OH-OD2 3.31Å |
| 103 | R | 87.2 | Confident | 89.3 | Confident | 41 Ų | 41 | 58.6 Ų | 58.6 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 97 | 178.6 | -59.7 | -67.8 | -57.5 | -111.8 | 15.2 | 110.9 | R111 P112 Y113 D373 D374 | R103-R111 HydrophobicContact CB-CB 4.35Å; R103-R111 PolarHBondContact NE-O 2.81Å; R103-R111 PolarHBondContact NH2-O 3.46Å; R103-P112 WeakPolarHBondContact CA-O 3.37Å; R103-Y113 HydrophobicContact CG-CE1 4.41Å; R103-Y113 HydrophobicContact CG-CE2 4.25Å; R103-D373 PolarHBondContact NH1-O 3.19Å; R103-D374 IonicContact CZ-OD1 3.12Å; R103-D374 IonicContact NE-OD1 3.4Å; R103-D374 VanDerWaalsContact NH1-CA 3.34Å; R103-D374 IonicContact NH1-OD1 3.41Å; R103-D374 PolarHBondContact NH1-OD1 2.8Å |
| 104 | K | 83.3 | Confident | 89.1 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 124.8 | 177.8 | -169.2 | 168.9 | -173.1 | 161.3 | 0 | 111.1 | Y102 T106 R111 P112 A114 D160 | Y102-K104 HydrophobicContact CD2-CB 4.15Å; Y102-K104 HydrophobicContact CE2-CB 3.64Å; Y102-K104 HydrophobicContact CE2-CD 4.11Å; Y102-K104 HydrophobicContact CE2-CG 4.01Å; Y102-K104 PolarHBondContact O-N 3.41Å; Y102-K104 VanDerWaalsContact O-N 3.16Å; K104-T106 PolarHBondContact O-N 3.43Å; K104-R111 VanDerWaalsContact O-CA 3.28Å; K104-R111 WeakPolarHBondContact O-CA 3.27Å; K104-P112 PolarHBondContact N-O 3.47Å; K104-P112 WeakPolarHBondContact O-CD 3.25Å; K104-A114 HydrophobicContact CB-CB 3.94Å; K104-A114 HydrophobicContact CD-CB 4.08Å; K104-D160 IonicContact NZ-OD1 3.76Å |
| 105 | L | 81.7 | Confident | 88.9 | Confident | 102 Ų | 102 | 60 Ų | 60 | 53% | 0.534 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 122.8 | 174.1 | -177.6 | 66.5 | 0 | 0 | 0 | 110.4 | T110 R111 | L105-T110 WeakPolarHBondContact CA-O 3.48Å; L105-R111 HydrophobicContact CB-CG 4.36Å; L105-R111 HydrophobicContact CD1-CG 3.82Å |
| 106 | T | 80.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 17% | 0.172 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 159.8 | 174.9 | 79.4 | 0 | 0 | 0 | 0 | 111.1 | K104 E108 G109 T110 P112 | K104-T106 PolarHBondContact O-N 3.43Å; T106-E108 WeakPolarHBondContact CB-OE2 3.42Å; T106-E108 PolarHBondContact O-N 2.79Å; T106-E108 VanDerWaalsContact O-N 3.13Å; T106-E108 PolarHBondContact OG1-N 2.82Å; T106-E108 PolarHBondContact OG1-OE2 3.46Å; T106-G109 PolarHBondContact O-N 3.39Å; T106-T110 WeakPolarHBondContact CG2-OG1 3.26Å; T106-T110 PolarHBondContact N-O 3Å; T106-T110 PolarHBondContact OG1-N 3.48Å; T106-T110 PolarHBondContact OG1-OG1 2.92Å; T106-P112 VanDerWaalsContact CG2-CD 3.41Å; T106-P112 HydrophobicContact CG2-CG 3.72Å |
| 107 | P | 80.7 | Confident | 88.6 | Confident | 129 Ų | 129 | 50.7 Ų | 50.7 | 84% | 0.838 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.1 | 173.9 | -26.2 | 36 | 0 | 0 | 0 | 113.8 | G109 | P107-G109 PolarHBondContact O-N 3.17Š|
| 108 | E | 83.3 | Confident | 88.5 | Confident | 145 Ų | 145 | 50 Ų | 50 | 68% | 0.678 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 0.8 | 177.6 | -53.4 | 71.2 | -148.7 | 0 | 0 | 113.1 | T106 T110 | T106-E108 WeakPolarHBondContact CB-OE2 3.42Å; T106-E108 PolarHBondContact O-N 2.79Å; T106-E108 VanDerWaalsContact O-N 3.13Å; T106-E108 PolarHBondContact OG1-N 2.82Å; T106-E108 PolarHBondContact OG1-OE2 3.46Å; E108-T110 VanDerWaalsContact C-N 3.26Å; E108-T110 HydrophobicContact CB-CG2 4.5Å; E108-T110 PolarHBondContact O-N 3Å |
| 109 | G | 80.8 | Confident | 88.5 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 57% | 0.567 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 79.2 | 4.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | T106 P107 | T106-G109 PolarHBondContact O-N 3.39Å; P107-G109 PolarHBondContact O-N 3.17Å |
| 110 | T | 82.9 | Confident | 88.5 | Confident | 77 Ų | 77 | 52.7 Ų | 52.7 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | trans | -81.3 | 160.8 | 173.2 | 74.1 | 0 | 0 | 0 | 0 | 110.8 | L105 T106 E108 | L105-T110 WeakPolarHBondContact CA-O 3.48Å; T106-T110 WeakPolarHBondContact CG2-OG1 3.26Å; T106-T110 PolarHBondContact N-O 3Å; T106-T110 PolarHBondContact OG1-N 3.48Å; T106-T110 PolarHBondContact OG1-OG1 2.92Å; E108-T110 VanDerWaalsContact C-N 3.26Å; E108-T110 HydrophobicContact CB-CG2 4.5Å; E108-T110 PolarHBondContact O-N 3Å | ||
| 111 | R | 85.3 | Confident | 88.5 | Confident | 94 Ų | 94 | 52.7 Ų | 52.7 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | trans | -129.8 | 72.3 | 176.2 | -64.1 | -174.9 | -177 | -156 | -4 | 111.1 | R103 K104 L105 E154 | R103-R111 HydrophobicContact CB-CB 4.35Å; R103-R111 PolarHBondContact NE-O 2.81Å; R103-R111 PolarHBondContact NH2-O 3.46Å; K104-R111 VanDerWaalsContact O-CA 3.28Å; K104-R111 WeakPolarHBondContact O-CA 3.27Å; L105-R111 HydrophobicContact CB-CG 4.36Å; L105-R111 HydrophobicContact CD1-CG 3.82Å; R111-E154 IonicContact NH1-OE1 2.97Å | ||
| 112 | P | 89.5 | Confident | 88.6 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 165.2 | 173.1 | 31.2 | -35.2 | 0 | 0 | 0 | 111.4 | R103 K104 T106 | R103-P112 WeakPolarHBondContact CA-O 3.37Å; K104-P112 PolarHBondContact N-O 3.47Å; K104-P112 WeakPolarHBondContact O-CD 3.25Å; T106-P112 VanDerWaalsContact CG2-CD 3.41Å; T106-P112 HydrophobicContact CG2-CG 3.72Å |
| 113 | Y | 91.1 | Very high | 88.9 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 13% | 0.125 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 120.6 | 167.9 | -85.9 | -90.8 | 0 | 0 | 0 | 110.2 | Y102 R103 Y363 A377 L378 | Y102-Y113 CarbonylContact O-C 2.99Å; Y102-Y113 VanDerWaalsContact O-CA 3.22Å; Y102-Y113 WeakPolarHBondContact O-CA 3.34Å; R103-Y113 HydrophobicContact CG-CE1 4.41Å; R103-Y113 HydrophobicContact CG-CE2 4.25Å; Y113-Y363 WeakPolarHBondContact CE1-O 3.3Å; Y113-Y363 PolarHBondContact OH-O 2.83Å; Y113-A377 HydrophobicContact CD2-CB 4.15Å; Y113-A377 HydrophobicContact CE2-CB 4.01Å; Y113-L378 HydrophobicContact CD1-CD1 3.83Å; Y113-L378 HydrophobicContact CD2-CB 4.06Å; Y113-L378 HydrophobicContact CD2-CD1 4.03Å; Y113-L378 HydrophobicContact CE1-CB 4.48Å; Y113-L378 HydrophobicContact CE1-CD1 3.76Å; Y113-L378 HydrophobicContact CE1-CD2 4.39Å; Y113-L378 HydrophobicContact CE1-CG 4.43Å; Y113-L378 HydrophobicContact CE2-CB 3.42Å; Y113-L378 VanDerWaalsContact CE2-CB 3.42Å; Y113-L378 HydrophobicContact CE2-CD1 3.96Å; Y113-L378 HydrophobicContact CE2-CG 4.19Å; Y113-L378 HydrophobicContact CG-CD1 3.97Å |
| 114 | A | 91.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 57 Ų | 57 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 155 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G101 Y102 K104 | G101-A114 CarbonylContact C-O 3.5Å; G101-A114 WeakPolarHBondContact CA-O 3.5Å; Y102-A114 HydrophobicContact CD1-CB 4.37Å; Y102-A114 WeakPolarHBondContact CD1-O 3.01Å; Y102-A114 HydrophobicContact CE1-CB 3.79Å; Y102-A114 HydrophobicContact CE2-CB 3.97Å; Y102-A114 PolarHBondContact N-O 3.39Å; Y102-A114 PolarHBondContact O-N 2.76Å; K104-A114 HydrophobicContact CB-CB 3.94Å; K104-A114 HydrophobicContact CD-CB 4.08Å |
| 115 | W | 92.2 | Very high | 89.8 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 31% | 0.311 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130.9 | -172.6 | -67 | 90.1 | 0 | 0 | 0 | 110.6 | P98 L100 G101 I335 K360 L378 | P98-W115 HydrophobicContact CB-CB 3.95Å; P98-W115 HydrophobicContact CB-CD2 4.19Å; P98-W115 HydrophobicContact CB-CE3 4.08Å; P98-W115 HydrophobicContact CB-CG 4.16Å; L100-W115 CarbonylContact O-C 3.56Å; L100-W115 WeakPolarHBondContact O-CA 3.04Å; G101-W115 VanDerWaalsContact CA-CZ3 3.5Å; W115-I335 HydrophobicContact CH2-CG2 4.04Å; W115-K360 HydrophobicContact CE3-CB 4.39Å; W115-K360 HydrophobicContact CH2-CB 3.77Å; W115-K360 HydrophobicContact CZ3-CB 3.56Å; W115-K360 HydrophobicContact CZ3-CG 4.38Å; W115-L378 HydrophobicContact CH2-CD1 3.85Å; W115-L378 HydrophobicContact CZ2-CD1 3.69Å |
| 116 | L | 92.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.2 | 161.5 | -62.1 | -178.3 | 0 | 0 | 0 | 109.4 | C99 L100 E120 V121 D162 L164 I167 | C99-L116 PolarHBondContact N-O 3.24Å; L100-L116 PolarHBondContact N-O 3.36Å; L100-L116 PolarHBondContact O-N 3.35Å; L116-E120 HydrophobicContact CB-CB 4.45Å; L116-E120 HydrophobicContact CD2-CB 4.46Å; L116-V121 HydrophobicContact CB-CG2 3.79Å; L116-V121 HydrophobicContact CD1-CG2 4.09Å; L116-D162 HydrophobicContact CD1-CB 4.12Å; L116-D162 WeakPolarHBondContact CD2-OD2 3.37Å; L116-L164 HydrophobicContact CD1-CD1 3.66Å; L116-I167 HydrophobicContact CD1-CD1 4.36Å |
| 117 | S | 95.4 | Very high | 91.2 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 159.6 | 169.4 | 65.3 | 0 | 0 | 0 | 0 | 112 | N96 G97 G119 E120 V121 | N96-S117 WeakPolarHBondContact OD1-CB 3.48Å; N96-S117 PolarHBondContact OD1-OG 3.24Å; G97-S117 CarbonylContact O-C 3.54Å; G97-S117 WeakPolarHBondContact O-CA 3.19Å; S117-G119 PolarHBondContact O-N 3.19Å; S117-E120 VanDerWaalsContact CB-OE2 3.29Å; S117-E120 WeakPolarHBondContact CB-OE2 3.48Å; S117-E120 PolarHBondContact N-OE2 2.8Å; S117-E120 PolarHBondContact O-N 3.44Å; S117-E120 VanDerWaalsContact OG-CD 3.31Å; S117-E120 VanDerWaalsContact OG-CG 3.31Å; S117-E120 WeakPolarHBondContact OG-CG 3.3Å; S117-E120 PolarHBondContact OG-N 2.85Å; S117-E120 PolarHBondContact OG-OE2 2.87Å; S117-V121 WeakPolarHBondContact O-CG2 2.92Å; S117-V121 PolarHBondContact O-N 2.92Å |
| 118 | Y | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.6 | -38.8 | 174.7 | -86.1 | -88.6 | 0 | 0 | 0 | 112.5 | I87 L91 T94 G97 P98 C99 V121 I122 G358 S359 | I87-Y118 HydrophobicContact CG1-CD1 3.8Å; I87-Y118 HydrophobicContact CG1-CE1 4.05Å; I87-Y118 WeakPolarHBondContact O-CD1 3.5Å; L91-Y118 HydrophobicContact CB-CG 4.5Å; T94-Y118 HydrophobicContact CG2-CD2 4.39Å; T94-Y118 HydrophobicContact CG2-CE2 4.12Å; G97-Y118 WeakPolarHBondContact O-CD2 3.49Å; G97-Y118 PolarHBondContact O-N 2.8Å; P98-Y118 WeakPolarHBondContact O-CE2 3.2Å; C99-Y118 HydrophobicContact CB-CD1 4.02Å; C99-Y118 HydrophobicContact CB-CD2 3.57Å; C99-Y118 HydrophobicContact CB-CE1 4.14Å; C99-Y118 HydrophobicContact CB-CE2 3.67Å; C99-Y118 HydrophobicContact CB-CG 3.71Å; C99-Y118 VanDerWaalsContact SG-CE1 3.51Å; Y118-V121 PolarHBondContact O-N 2.82Å; Y118-I122 WeakPolarHBondContact O-CB 3.42Å; Y118-I122 WeakPolarHBondContact O-CD1 3.06Å; Y118-I122 VanDerWaalsContact O-CG1 3.25Å; Y118-I122 WeakPolarHBondContact O-CG1 3.45Å; Y118-I122 PolarHBondContact O-N 2.92Å; Y118-G358 VanDerWaalsContact OH-C 3.23Å; Y118-G358 VanDerWaalsContact OH-CA 3.27Å; Y118-G358 WeakPolarHBondContact OH-CA 2.83Å; Y118-S359 PolarHBondContact OH-N 3.33Å; Y118-S359 PolarHBondContact OH-O 2.93Å |
| 119 | G | 96.3 | Very high | 92.6 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.2 | -44.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N96 S117 V121 I122 E123 | N96-G119 VanDerWaalsContact OD1-CA 3.26Å; N96-G119 WeakPolarHBondContact OD1-CA 3.46Å; N96-G119 PolarHBondContact OD1-N 2.86Å; S117-G119 PolarHBondContact O-N 3.19Å; G119-V121 VanDerWaalsContact C-N 3.31Å; G119-V121 PolarHBondContact O-N 2.65Å; G119-I122 PolarHBondContact O-N 3.4Å; G119-E123 VanDerWaalsContact O-CB 3.3Å; G119-E123 WeakPolarHBondContact O-CB 3.45Å; G119-E123 PolarHBondContact O-N 3.49Å |
| 120 | E | 94.2 | Very high | 93.4 | Very high | 86 Ų | 86 | 36.2 Ų | 36.2 | 40% | 0.402 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.3 | -39.2 | 175.2 | -73.6 | 162.2 | 136.8 | 0 | 0 | 111.7 | L116 S117 S124 | L116-E120 HydrophobicContact CB-CB 4.45Å; L116-E120 HydrophobicContact CD2-CB 4.46Å; S117-E120 VanDerWaalsContact CB-OE2 3.29Å; S117-E120 WeakPolarHBondContact CB-OE2 3.48Å; S117-E120 PolarHBondContact N-OE2 2.8Å; S117-E120 PolarHBondContact O-N 3.44Å; S117-E120 VanDerWaalsContact OG-CD 3.31Å; S117-E120 VanDerWaalsContact OG-CG 3.31Å; S117-E120 WeakPolarHBondContact OG-CG 3.3Å; S117-E120 PolarHBondContact OG-N 2.85Å; S117-E120 PolarHBondContact OG-OE2 2.87Å; E120-S124 VanDerWaalsContact O-CB 3.26Å; E120-S124 WeakPolarHBondContact O-CB 3.21Å; E120-S124 PolarHBondContact O-N 3.34Å; E120-S124 PolarHBondContact O-OG 2.89Å |
| 121 | V | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | I87 C99 L100 L116 S117 Y118 G119 S124 S125 V166 I167 | I87-V121 HydrophobicContact CD1-CB 4.42Å; I87-V121 HydrophobicContact CD1-CG1 3.65Å; C99-V121 HydrophobicContact CB-CG2 4.23Å; L100-V121 HydrophobicContact CB-CG2 4.34Å; L100-V121 HydrophobicContact CD1-CB 4.49Å; L100-V121 HydrophobicContact CD1-CG1 3.86Å; L100-V121 HydrophobicContact CD1-CG2 3.7Å; L100-V121 HydrophobicContact CG-CG2 3.86Å; L116-V121 HydrophobicContact CB-CG2 3.79Å; L116-V121 HydrophobicContact CD1-CG2 4.09Å; S117-V121 WeakPolarHBondContact O-CG2 2.92Å; S117-V121 PolarHBondContact O-N 2.92Å; Y118-V121 PolarHBondContact O-N 2.82Å; G119-V121 VanDerWaalsContact C-N 3.31Å; G119-V121 PolarHBondContact O-N 2.65Å; V121-S124 PolarHBondContact O-N 2.74Å; V121-S125 WeakPolarHBondContact O-CB 3.29Å; V121-S125 PolarHBondContact O-N 3.35Å; V121-S125 PolarHBondContact O-OG 2.67Å; V121-V166 HydrophobicContact CG1-CG1 4.46Å; V121-I167 HydrophobicContact CG1-CG1 4.14Å |
| 122 | I | 95.4 | Very high | 94.7 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 178.3 | -72.2 | 164 | 0 | 0 | 0 | 110.8 | I87 R88 L91 Y118 G119 S124 S125 E126 | I87-I122 HydrophobicContact CD1-CG1 4.33Å; I87-I122 HydrophobicContact CG1-CD1 4.46Å; I87-I122 HydrophobicContact CG1-CG1 4.3Å; I87-I122 HydrophobicContact CG2-CD1 4.46Å; I87-I122 HydrophobicContact CG2-CG1 4.25Å; R88-I122 HydrophobicContact CG-CD1 4.07Å; L91-I122 HydrophobicContact CB-CD1 3.92Å; L91-I122 HydrophobicContact CD2-CD1 3.76Å; L91-I122 HydrophobicContact CG-CD1 4.34Å; Y118-I122 WeakPolarHBondContact O-CB 3.42Å; Y118-I122 WeakPolarHBondContact O-CD1 3.06Å; Y118-I122 VanDerWaalsContact O-CG1 3.25Å; Y118-I122 WeakPolarHBondContact O-CG1 3.45Å; Y118-I122 PolarHBondContact O-N 2.92Å; G119-I122 PolarHBondContact O-N 3.4Å; I122-S124 PolarHBondContact O-N 3.4Å; I122-S125 WeakPolarHBondContact O-CB 3.12Å; I122-S125 PolarHBondContact O-N 3.44Å; I122-E126 HydrophobicContact CG2-CG 4.44Å; I122-E126 WeakPolarHBondContact O-CG 3.35Å; I122-E126 PolarHBondContact O-N 3.17Å |
| 123 | E | 95.3 | Very high | 95 | Very high | 120 Ų | 120 | 27.3 Ų | 27.3 | 56% | 0.561 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -60.2 | -45.3 | 178.2 | -178.8 | 176.5 | -145.5 | 0 | 0 | 111.4 | G119 S125 E126 G127 | G119-E123 VanDerWaalsContact O-CB 3.3Å; G119-E123 WeakPolarHBondContact O-CB 3.45Å; G119-E123 PolarHBondContact O-N 3.49Å; E123-S125 VanDerWaalsContact C-N 3.29Å; E123-S125 PolarHBondContact O-N 2.92Å; E123-E126 PolarHBondContact O-N 3.01Å; E123-G127 PolarHBondContact O-N 3.32Å |
| 124 | S | 94.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 31.9 Ų | 31.9 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -38.7 | 176.7 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | E120 V121 I122 G127 L128 | E120-S124 VanDerWaalsContact O-CB 3.26Å; E120-S124 WeakPolarHBondContact O-CB 3.21Å; E120-S124 PolarHBondContact O-N 3.34Å; E120-S124 PolarHBondContact O-OG 2.89Å; V121-S124 PolarHBondContact O-N 2.74Å; I122-S124 PolarHBondContact O-N 3.4Å; S124-G127 PolarHBondContact O-N 2.97Å; S124-L128 WeakPolarHBondContact O-CB 3.25Å; S124-L128 PolarHBondContact O-N 3.49Å |
| 125 | S | 95 | Very high | 95.5 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | V121 I122 E123 L128 A129 Q170 A171 | V121-S125 WeakPolarHBondContact O-CB 3.29Å; V121-S125 PolarHBondContact O-N 3.35Å; V121-S125 PolarHBondContact O-OG 2.67Å; I122-S125 WeakPolarHBondContact O-CB 3.12Å; I122-S125 PolarHBondContact O-N 3.44Å; E123-S125 VanDerWaalsContact C-N 3.29Å; E123-S125 PolarHBondContact O-N 2.92Å; S125-L128 PolarHBondContact O-N 3.41Å; S125-A129 VanDerWaalsContact O-CB 3.3Å; S125-A129 WeakPolarHBondContact O-CB 3.49Å; S125-A129 PolarHBondContact O-N 2.67Å; S125-Q170 WeakPolarHBondContact OG-CB 3.39Å; S125-A171 WeakPolarHBondContact O-CA 3.35Å; S125-A171 VanDerWaalsContact O-CB 3.25Å; S125-A171 WeakPolarHBondContact O-CB 3.47Å |
| 126 | E | 96.2 | Very high | 95.6 | Very high | 50 Ų | 50 | 29.6 Ų | 29.6 | 23% | 0.234 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 175.3 | -72 | 178.6 | -177.8 | 0 | 0 | 112 | R88 I122 E123 A129 K130 V174 | R88-E126 IonicContact NH2-OE1 2.72Å; R88-E126 PolarHBondContact NH2-OE1 2.98Å; I122-E126 HydrophobicContact CG2-CG 4.44Å; I122-E126 WeakPolarHBondContact O-CG 3.35Å; I122-E126 PolarHBondContact O-N 3.17Å; E123-E126 PolarHBondContact O-N 3.01Å; E126-A129 PolarHBondContact O-N 3.45Å; E126-K130 VanDerWaalsContact O-CG 3.25Å; E126-K130 WeakPolarHBondContact O-CG 3.41Å; E126-K130 PolarHBondContact O-N 3.13Å; E126-V174 HydrophobicContact CG-CG1 4.31Å; E126-V174 HydrophobicContact CG-CG2 3.98Å |
| 127 | G | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.8 | -54.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E123 S124 A129 K130 Y131 G275 | E123-G127 PolarHBondContact O-N 3.32Å; S124-G127 PolarHBondContact O-N 2.97Å; G127-A129 VanDerWaalsContact C-N 3.3Å; G127-A129 PolarHBondContact O-N 3.02Å; G127-K130 PolarHBondContact O-N 2.86Å; G127-Y131 PolarHBondContact O-N 3.01Å; G127-G275 WeakPolarHBondContact O-CA 3.26Å |
| 128 | L | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58 | -42.2 | 178.2 | -174.5 | 59.6 | 0 | 0 | 0 | 112.4 | S124 S125 Y131 F132 I167 A171 I221 I245 F268 C271 V272 | S124-L128 WeakPolarHBondContact O-CB 3.25Å; S124-L128 PolarHBondContact O-N 3.49Å; S125-L128 PolarHBondContact O-N 3.41Å; L128-Y131 WeakPolarHBondContact O-CB 3.24Å; L128-Y131 PolarHBondContact O-N 3.04Å; L128-Y131 VanDerWaalsContact O-N 3.13Å; L128-F132 HydrophobicContact CD1-CD1 4.45Å; L128-F132 HydrophobicContact CD1-CE1 3.64Å; L128-F132 HydrophobicContact CD1-CZ 4.01Å; L128-F132 HydrophobicContact CD2-CE1 4.32Å; L128-F132 HydrophobicContact CD2-CZ 3.84Å; L128-F132 HydrophobicContact CG-CE1 3.65Å; L128-F132 HydrophobicContact CG-CE2 4.27Å; L128-F132 HydrophobicContact CG-CZ 3.49Å; L128-F132 VanDerWaalsContact CG-CZ 3.49Å; L128-F132 WeakPolarHBondContact O-CD1 3.39Å; L128-F132 WeakPolarHBondContact O-CG 3.34Å; L128-F132 PolarHBondContact O-N 3.15Å; L128-I167 HydrophobicContact CD2-CG2 4.28Å; L128-A171 HydrophobicContact CB-CB 3.89Å; L128-A171 HydrophobicContact CD2-CB 3.82Å; L128-A171 HydrophobicContact CG-CB 3.94Å; L128-I221 HydrophobicContact CD2-CD1 4.35Å; L128-I245 HydrophobicContact CD1-CD1 4.34Å; L128-F268 HydrophobicContact CD1-CE2 4.38Å; L128-F268 HydrophobicContact CD2-CE2 3.53Å; L128-F268 HydrophobicContact CD2-CZ 3.7Å; L128-C271 HydrophobicContact CD1-CB 3.95Å; L128-V272 HydrophobicContact CB-CG2 4.14Å; L128-V272 HydrophobicContact CD1-CG2 4.32Å |
| 129 | A | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S125 E126 G127 Y131 F132 L133 A171 V174 Y175 | S125-A129 VanDerWaalsContact O-CB 3.3Å; S125-A129 WeakPolarHBondContact O-CB 3.49Å; S125-A129 PolarHBondContact O-N 2.67Å; E126-A129 PolarHBondContact O-N 3.45Å; G127-A129 VanDerWaalsContact C-N 3.3Å; G127-A129 PolarHBondContact O-N 3.02Å; A129-Y131 PolarHBondContact O-N 2.81Å; A129-F132 WeakPolarHBondContact O-CB 3.38Å; A129-F132 PolarHBondContact O-N 3.22Å; A129-L133 PolarHBondContact O-N 3.12Å; A129-A171 HydrophobicContact CB-CB 4.2Å; A129-A171 VanDerWaalsContact CB-O 3.27Å; A129-A171 WeakPolarHBondContact CB-O 3.05Å; A129-V174 HydrophobicContact CB-CB 3.57Å; A129-V174 HydrophobicContact CB-CG1 3.86Å; A129-V174 HydrophobicContact CB-CG2 3.88Å; A129-Y175 HydrophobicContact CB-CD2 3.89Å; A129-Y175 HydrophobicContact CB-CE2 3.95Å |
| 130 | K | 97.9 | Very high | 95.4 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 23% | 0.226 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 174 | -70.2 | 169.6 | -175.5 | 175.9 | 0 | 111.4 | E126 G127 F132 L133 H134 Y175 G275 I278 A281 | E126-K130 VanDerWaalsContact O-CG 3.25Å; E126-K130 WeakPolarHBondContact O-CG 3.41Å; E126-K130 PolarHBondContact O-N 3.13Å; G127-K130 PolarHBondContact O-N 2.86Å; K130-F132 VanDerWaalsContact C-N 3.35Å; K130-L133 PolarHBondContact O-N 3.18Å; K130-H134 PolarHBondContact O-N 3.04Å; K130-Y175 HydrophobicContact CG-CE2 4.49Å; K130-G275 WeakPolarHBondContact CD-O 3.08Å; K130-I278 HydrophobicContact CB-CD1 4.26Å; K130-A281 HydrophobicContact CB-CB 4.26Å; K130-A281 HydrophobicContact CD-CB 4.09Å; K130-A281 HydrophobicContact CG-CB 3.75Å |
| 131 | Y | 97.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 33.9 Ų | 33.9 | 6% | 0.059 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -35.1 | 176.5 | -159.7 | -98.5 | 0 | 0 | 0 | 112.7 | G127 L128 A129 L133 H134 L135 L266 C271 Q274 | G127-Y131 PolarHBondContact O-N 3.01Å; L128-Y131 WeakPolarHBondContact O-CB 3.24Å; L128-Y131 PolarHBondContact O-N 3.04Å; L128-Y131 VanDerWaalsContact O-N 3.13Å; A129-Y131 PolarHBondContact O-N 2.81Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 3.48Å; Y131-H134 AromaticContact CE2-CD2 3.99Å; Y131-H134 WeakPolarHBondContact O-CB 3.03Å; Y131-H134 PolarHBondContact O-N 2.83Å; Y131-L135 HydrophobicContact CD1-CD1 3.9Å; Y131-L135 HydrophobicContact CD1-CD2 4.48Å; Y131-L135 HydrophobicContact CD1-CG 3.98Å; Y131-L135 HydrophobicContact CE1-CD1 3.86Å; Y131-L135 HydrophobicContact CE1-CD2 3.84Å; Y131-L135 HydrophobicContact CE1-CG 3.84Å; Y131-L135 WeakPolarHBondContact O-CG 3.47Å; Y131-L135 PolarHBondContact O-N 2.92Å; Y131-L266 HydrophobicContact CE1-CD1 4.21Å; Y131-C271 WeakPolarHBondContact CB-O 3.38Å; Y131-C271 HydrophobicContact CD1-CB 3.47Å; Y131-C271 VanDerWaalsContact CD1-CB 3.47Å; Y131-C271 WeakPolarHBondContact CD2-O 3.39Å; Y131-C271 HydrophobicContact CE1-CB 3.75Å; Y131-C271 WeakPolarHBondContact CE1-SG 3.34Å; Y131-C271 HydrophobicContact CG-CB 3.91Å; Y131-Q274 HydrophobicContact CD2-CB 3.89Å; Y131-Q274 HydrophobicContact CE2-CB 3.65Å; Y131-Q274 HydrophobicContact CE2-CG 4.48Å; Y131-Q274 PolarHBondContact OH-OE1 2.87Å |
| 132 | F | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -45.8 | 172 | -58.2 | -25 | 0 | 0 | 0 | 111.5 | L128 A129 K130 H134 L135 G136 I137 A171 M177 L219 I221 I245 | L128-F132 HydrophobicContact CD1-CD1 4.45Å; L128-F132 HydrophobicContact CD1-CE1 3.64Å; L128-F132 HydrophobicContact CD1-CZ 4.01Å; L128-F132 HydrophobicContact CD2-CE1 4.32Å; L128-F132 HydrophobicContact CD2-CZ 3.84Å; L128-F132 HydrophobicContact CG-CE1 3.65Å; L128-F132 HydrophobicContact CG-CE2 4.27Å; L128-F132 HydrophobicContact CG-CZ 3.49Å; L128-F132 VanDerWaalsContact CG-CZ 3.49Å; L128-F132 WeakPolarHBondContact O-CD1 3.39Å; L128-F132 WeakPolarHBondContact O-CG 3.34Å; L128-F132 PolarHBondContact O-N 3.15Å; A129-F132 WeakPolarHBondContact O-CB 3.38Å; A129-F132 PolarHBondContact O-N 3.22Å; K130-F132 VanDerWaalsContact C-N 3.35Å; F132-H134 VanDerWaalsContact C-N 3.31Å; F132-H134 PolarHBondContact O-N 3.06Å; F132-L135 WeakPolarHBondContact O-CB 3.38Å; F132-L135 PolarHBondContact O-N 3.26Å; F132-L135 VanDerWaalsContact O-N 3.16Å; F132-G136 PolarHBondContact O-N 3.46Å; F132-I137 HydrophobicContact CB-CB 4.19Å; F132-I137 HydrophobicContact CB-CG1 4.49Å; F132-I137 VanDerWaalsContact O-CB 3.28Å; F132-I137 WeakPolarHBondContact O-CB 3.26Å; F132-I137 PolarHBondContact O-N 3.37Å; F132-A171 HydrophobicContact CE2-CB 3.85Å; F132-A171 HydrophobicContact CZ-CB 4.23Å; F132-M177 HydrophobicContact CB-CE 4.26Å; F132-M177 HydrophobicContact CD2-SD 4.08Å; F132-L219 HydrophobicContact CD1-CD1 3.87Å; F132-L219 HydrophobicContact CE1-CD1 4.19Å; F132-L219 HydrophobicContact CE1-CD2 4.19Å; F132-I221 HydrophobicContact CE1-CD1 4.33Å; F132-I221 HydrophobicContact CZ-CD1 3.91Å; F132-I245 HydrophobicContact CD1-CD1 4.32Å; F132-I245 HydrophobicContact CE1-CD1 3.84Å |
| 133 | L | 97.1 | Very high | 95.1 | Very high | 33 Ų | 33 | 40.2 Ų | 40.2 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.5 | -58.2 | -170 | 0 | 0 | 0 | 111.9 | A129 K130 Y131 L135 G136 I137 P139 Y175 M177 P282 | A129-L133 PolarHBondContact O-N 3.12Å; K130-L133 PolarHBondContact O-N 3.18Å; Y131-L133 VanDerWaalsContact C-N 3.31Å; Y131-L133 PolarHBondContact O-N 3.48Å; L133-L135 VanDerWaalsContact C-N 3.28Å; L133-L135 PolarHBondContact O-N 2.87Å; L133-G136 WeakPolarHBondContact O-CA 3.34Å; L133-G136 PolarHBondContact O-N 3.36Å; L133-I137 VanDerWaalsContact CD2-O 3.27Å; L133-I137 WeakPolarHBondContact CD2-O 3.47Å; L133-P139 HydrophobicContact CD2-CB 4.21Å; L133-P139 HydrophobicContact CD2-CG 4.44Å; L133-Y175 HydrophobicContact CD1-CD1 4.06Å; L133-Y175 HydrophobicContact CD1-CD2 3.84Å; L133-Y175 HydrophobicContact CD1-CE1 3.72Å; L133-Y175 HydrophobicContact CD1-CE2 3.5Å; L133-Y175 VanDerWaalsContact CD1-CE2 3.5Å; L133-Y175 HydrophobicContact CD1-CG 4.12Å; L133-Y175 VanDerWaalsContact CD1-CZ 3.43Å; L133-Y175 HydrophobicContact CD2-CD2 4.34Å; L133-Y175 HydrophobicContact CD2-CG 4.5Å; L133-Y175 HydrophobicContact CG-CD2 4.03Å; L133-Y175 HydrophobicContact CG-CE2 3.96Å; L133-M177 HydrophobicContact CD2-CE 3.76Å; L133-P282 HydrophobicContact CD1-CG 3.53Å |
| 134 | H | 96.5 | Very high | 95 | Very high | 128 Ų | 128 | 35.3 Ų | 35.3 | 59% | 0.593 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -61.5 | -34.1 | 174.9 | 179.5 | 74 | 0 | 0 | 0 | 113.2 | K130 Y131 F132 G136 I278 | K130-H134 PolarHBondContact O-N 3.04Å; Y131-H134 AromaticContact CE2-CD2 3.99Å; Y131-H134 WeakPolarHBondContact O-CB 3.03Å; Y131-H134 PolarHBondContact O-N 2.83Å; F132-H134 VanDerWaalsContact C-N 3.31Å; F132-H134 PolarHBondContact O-N 3.06Å; H134-G136 PolarHBondContact O-N 3.15Å; H134-I278 HydrophobicContact CB-CD1 3.72Å |
| 135 | L | 95.6 | Very high | 95 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -5.9 | 172.5 | -64.6 | 176.3 | 0 | 0 | 0 | 113.3 | Y131 F132 L133 I137 L219 F243 L266 | Y131-L135 HydrophobicContact CD1-CD1 3.9Å; Y131-L135 HydrophobicContact CD1-CD2 4.48Å; Y131-L135 HydrophobicContact CD1-CG 3.98Å; Y131-L135 HydrophobicContact CE1-CD1 3.86Å; Y131-L135 HydrophobicContact CE1-CD2 3.84Å; Y131-L135 HydrophobicContact CE1-CG 3.84Å; Y131-L135 WeakPolarHBondContact O-CG 3.47Å; Y131-L135 PolarHBondContact O-N 2.92Å; F132-L135 WeakPolarHBondContact O-CB 3.38Å; F132-L135 PolarHBondContact O-N 3.26Å; F132-L135 VanDerWaalsContact O-N 3.16Å; L133-L135 VanDerWaalsContact C-N 3.28Å; L133-L135 PolarHBondContact O-N 2.87Å; L135-I137 HydrophobicContact CB-CG1 4.39Å; L135-L219 HydrophobicContact CD1-CD1 3.96Å; L135-F243 HydrophobicContact CB-CD2 4.5Å; L135-F243 HydrophobicContact CB-CE1 4.29Å; L135-F243 HydrophobicContact CB-CE2 4.11Å; L135-F243 HydrophobicContact CB-CZ 4Å; L135-F243 HydrophobicContact CD1-CD1 4.23Å; L135-F243 HydrophobicContact CD1-CG 4.24Å; L135-F243 HydrophobicContact CD2-CD1 4.22Å; L135-F243 HydrophobicContact CD2-CE1 3.98Å; L135-F243 HydrophobicContact CD2-CZ 4.49Å; L135-F243 WeakPolarHBondContact O-CZ 3.43Å; L135-L266 HydrophobicContact CD1-CD1 3.62Å; L135-L266 HydrophobicContact CD2-CD1 3.75Å; L135-L266 HydrophobicContact CG-CD1 4.35Å |
| 136 | G | 94.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 34.6 Ų | 34.6 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 27 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F132 L133 H134 | F132-G136 PolarHBondContact O-N 3.46Å; L133-G136 WeakPolarHBondContact O-CA 3.34Å; L133-G136 PolarHBondContact O-N 3.36Å; H134-G136 PolarHBondContact O-N 3.15Å |
| 137 | I | 93.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 127.4 | 166.4 | -58.1 | -59.6 | 0 | 0 | 0 | 108.1 | F132 L133 L135 T143 I145 M177 Q218 L219 F243 | F132-I137 HydrophobicContact CB-CB 4.19Å; F132-I137 HydrophobicContact CB-CG1 4.49Å; F132-I137 VanDerWaalsContact O-CB 3.28Å; F132-I137 WeakPolarHBondContact O-CB 3.26Å; F132-I137 PolarHBondContact O-N 3.37Å; L133-I137 VanDerWaalsContact CD2-O 3.27Å; L133-I137 WeakPolarHBondContact CD2-O 3.47Å; L135-I137 HydrophobicContact CB-CG1 4.39Å; I137-T143 HydrophobicContact CG2-CG2 3.49Å; I137-T143 VanDerWaalsContact CG2-CG2 3.49Å; I137-I145 HydrophobicContact CG2-CD1 4.08Å; I137-M177 HydrophobicContact CG2-CE 4.02Å; I137-M177 HydrophobicContact CG2-SD 4.2Å; I137-Q218 HydrophobicContact CD1-CB 3.95Å; I137-L219 HydrophobicContact CD1-CB 4.26Å; I137-L219 HydrophobicContact CG1-CD1 4.13Å; I137-F243 HydrophobicContact CD1-CD2 3.95Å; I137-F243 HydrophobicContact CD1-CE2 4.03Å |
| 138 | S | 93.2 | Very high | 94.3 | Very high | 75 Ų | 75 | 32.8 Ų | 32.8 | 52% | 0.524 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -74.4 | 141.5 | -178.2 | -59 | 0 | 0 | 0 | 0 | 111.6 | T143 M177 | S138-T143 VanDerWaalsContact O-CB 3.31Å; S138-T143 WeakPolarHBondContact O-CB 3.23Å; S138-T143 WeakPolarHBondContact O-CG2 3.39Å; S138-T143 PolarHBondContact O-OG1 3.25Å; S138-M177 WeakPolarHBondContact O-CE 3.26Å |
| 139 | P | 95 | Very high | 93.8 | Very high | 76 Ų | 76 | 33 Ų | 33 | 49% | 0.494 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -70.6 | 159.9 | 170.7 | 32.8 | -36.2 | 0 | 0 | 0 | 111.3 | L133 Y175 | L133-P139 HydrophobicContact CD2-CB 4.21Å; L133-P139 HydrophobicContact CD2-CG 4.44Å; P139-Y175 HydrophobicContact CB-CG 4.43Å |
| 140 | G | 94.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 104.3 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D142 T143 Y175 S176 | G140-D142 VanDerWaalsContact C-N 3.26Å; G140-D142 PolarHBondContact O-N 3.25Å; G140-T143 WeakPolarHBondContact O-CB 3.46Å; G140-T143 PolarHBondContact O-N 2.65Å; G140-T143 VanDerWaalsContact O-N 3.11Å; G140-Y175 PolarHBondContact N-O 2.86Å; G140-S176 CarbonylContact C-O 3.46Å; G140-S176 WeakPolarHBondContact CA-O 3.2Å |
| 141 | Q | 93.5 | Very high | 91.1 | Very high | 48 Ų | 48 | 34 Ų | 34 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -11.4 | -166.7 | -71.2 | -70.7 | -66.3 | 0 | 0 | 115.5 | T143 S176 D291 L292 | Q141-T143 VanDerWaalsContact C-N 3.31Å; Q141-S176 PolarHBondContact N-O 2.8Å; Q141-S176 PolarHBondContact NE2-O 2.98Å; Q141-D291 HydrophobicContact CG-CB 4.22Å; Q141-L292 PolarHBondContact NE2-O 3.23Å |
| 142 | D | 90.5 | Very high | 89.6 | Confident | 127 Ų | 127 | 33.6 Ų | 33.6 | 68% | 0.679 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.8 | 173.5 | -65.6 | -40.6 | 0 | 0 | 0 | 112.7 | G140 F144 | G140-D142 VanDerWaalsContact C-N 3.26Å; G140-D142 PolarHBondContact O-N 3.25Å; D142-F144 WeakPolarHBondContact O-CD2 3.25Å |
| 143 | T | 92.8 | Very high | 87.1 | Confident | 21 Ų | 21 | 33.6 Ų | 33.6 | 13% | 0.129 | 19% | 0.192 | C | C | . | . | trans | -99.9 | 120.6 | -177.9 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | I137 S138 G140 Q141 I145 M177 V178 | I137-T143 HydrophobicContact CG2-CG2 3.49Å; I137-T143 VanDerWaalsContact CG2-CG2 3.49Å; S138-T143 VanDerWaalsContact O-CB 3.31Å; S138-T143 WeakPolarHBondContact O-CB 3.23Å; S138-T143 WeakPolarHBondContact O-CG2 3.39Å; S138-T143 PolarHBondContact O-OG1 3.25Å; G140-T143 WeakPolarHBondContact O-CB 3.46Å; G140-T143 PolarHBondContact O-N 2.65Å; G140-T143 VanDerWaalsContact O-N 3.11Å; Q141-T143 VanDerWaalsContact C-N 3.31Å; T143-I145 HydrophobicContact CG2-CD1 3.97Å; T143-I145 HydrophobicContact CG2-CG1 4.4Å; T143-M177 HydrophobicContact CG2-CB 4.24Å; T143-M177 HydrophobicContact CG2-CG 3.9Å; T143-M177 HydrophobicContact CG2-SD 3.9Å; T143-V178 PolarHBondContact O-N 2.87Å | ||
| 144 | F | 92.8 | Very high | 84.4 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.7 | -179.8 | -64 | -97.8 | 0 | 0 | 0 | 110.8 | D142 V178 V180 A215 I217 V295 Y541 | D142-F144 WeakPolarHBondContact O-CD2 3.25Å; F144-V178 CarbonylContact C-O 3.59Å; F144-V178 VanDerWaalsContact CA-O 3.31Å; F144-V178 WeakPolarHBondContact CA-O 3.33Å; F144-V178 HydrophobicContact CD1-CB 3.84Å; F144-V178 HydrophobicContact CD1-CG1 3.95Å; F144-V178 HydrophobicContact CE1-CB 3.92Å; F144-V178 HydrophobicContact CE1-CG1 3.88Å; F144-V178 HydrophobicContact CE1-CG2 4.23Å; F144-V178 HydrophobicContact CG-CB 4.49Å; F144-V180 HydrophobicContact CB-CG2 3.95Å; F144-V180 HydrophobicContact CD1-CG2 3.83Å; F144-V180 HydrophobicContact CG-CG2 4.38Å; F144-A215 HydrophobicContact CD2-CB 3.61Å; F144-A215 HydrophobicContact CE2-CB 3.52Å; F144-A215 HydrophobicContact CZ-CB 4.35Å; F144-I217 HydrophobicContact CB-CG1 4.21Å; F144-V295 HydrophobicContact CD1-CG2 4.24Å; F144-V295 HydrophobicContact CE1-CG2 3.77Å; F144-Y541 AromaticContact CE1-CE2 3.92Å; F144-Y541 HydrophobicContact CE1-CE2 3.92Å; F144-Y541 AromaticContact CZ-CE2 3.7Å; F144-Y541 HydrophobicContact CZ-CE2 3.7Å; F144-Y541 AromaticContact CZ-CZ 3.95Å |
| 145 | I | 93.7 | Very high | 81.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.4 | -179 | -54.8 | -61.6 | 0 | 0 | 0 | 109.8 | I137 T143 T172 M177 V178 N179 V180 L219 I221 | I137-I145 HydrophobicContact CG2-CD1 4.08Å; T143-I145 HydrophobicContact CG2-CD1 3.97Å; T143-I145 HydrophobicContact CG2-CG1 4.4Å; I145-T172 HydrophobicContact CB-CG2 3.85Å; I145-T172 HydrophobicContact CG1-CG2 4.02Å; I145-T172 HydrophobicContact CG2-CG2 4.2Å; I145-M177 HydrophobicContact CD1-SD 4.37Å; I145-M177 HydrophobicContact CG1-CB 4.47Å; I145-M177 HydrophobicContact CG1-SD 4.21Å; I145-V178 PolarHBondContact N-O 2.96Å; I145-N179 CarbonylContact O-C 3.56Å; I145-N179 WeakPolarHBondContact O-CA 3.44Å; I145-V180 PolarHBondContact O-N 2.94Å; I145-L219 HydrophobicContact CD1-CB 4Å; I145-L219 HydrophobicContact CD1-CD2 4.43Å; I145-L219 HydrophobicContact CG2-CD2 3.7Å; I145-I221 HydrophobicContact CG2-CD1 4.3Å |
| 146 | G | 92.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 134.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V180 L219 I220 I221 | G146-V180 WeakPolarHBondContact CA-O 3.22Å; G146-L219 PolarHBondContact N-O 2.91Å; G146-I220 CarbonylContact O-C 3.56Å; G146-I220 WeakPolarHBondContact O-CA 3.4Å; G146-I221 PolarHBondContact O-N 2.93Å |
| 147 | I | 91.5 | Very high | 75.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 101.1 | 171.7 | -53.9 | 176.8 | 0 | 0 | 0 | 108.4 | W165 E169 N179 V180 L182 | I147-W165 HydrophobicContact CG2-CD2 4.38Å; I147-W165 HydrophobicContact CG2-CG 4.18Å; I147-E169 HydrophobicContact CD1-CB 4.33Å; I147-N179 HydrophobicContact CD1-CB 3.82Å; I147-N179 HydrophobicContact CG1-CB 4.41Å; I147-V180 PolarHBondContact N-O 3.43Å; I147-L182 PolarHBondContact O-N 2.9Å |
| 148 | Y | 88.8 | Confident | 73.3 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 73 | -178.4 | -166.3 | -167.4 | 0 | 0 | 0 | 112 | L182 V191 I221 C222 D223 K227 | Y148-L182 HydrophobicContact CD2-CB 3.76Å; Y148-L182 WeakPolarHBondContact CD2-O 3.38Å; Y148-L182 HydrophobicContact CG-CB 3.92Å; Y148-L182 HydrophobicContact CG-CD1 4.34Å; Y148-V191 HydrophobicContact CD1-CG1 4.36Å; Y148-V191 HydrophobicContact CE1-CG1 4.18Å; Y148-V191 HydrophobicContact CE1-CG2 4.25Å; Y148-I221 PolarHBondContact N-O 3.46Å; Y148-C222 WeakPolarHBondContact O-CA 3.08Å; Y148-D223 PolarHBondContact O-N 3.46Å; Y148-K227 HydrophobicContact CD1-CD 3.57Å; Y148-K227 HydrophobicContact CD1-CG 3.68Å; Y148-K227 HydrophobicContact CD2-CD 3.76Å; Y148-K227 HydrophobicContact CE1-CD 3.61Å; Y148-K227 HydrophobicContact CE1-CG 3.4Å; Y148-K227 HydrophobicContact CE2-CD 3.81Å; Y148-K227 HydrophobicContact CE2-CG 4.41Å; Y148-K227 HydrophobicContact CG-CD 3.65Å; Y148-K227 HydrophobicContact CG-CG 4.28Å; Y148-K227 VanDerWaalsContact O-CD 3.26Å; Y148-K227 WeakPolarHBondContact O-CD 3.26Å; Y148-K227 PolarHBondContact O-NZ 2.89Å |
| 149 | S | 84.7 | Confident | 70.8 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | trans | -142.8 | 140.5 | -171.4 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | D223 M247 | S149-D223 WeakPolarHBondContact OG-CB 3.43Å; S149-M247 PolarHBondContact OG-SD 2.93Å | ||
| 150 | R | 74.4 | Confident | 68.4 | Low | 69 Ų | 69 | 46.7 Ų | 46.7 | 26% | 0.26 | 24% | 0.244 | S | C | . | . | trans | -67.4 | 162.3 | 166.6 | 67.7 | -172.7 | -179.2 | 144.9 | 5.2 | 110.1 | R152 E154 D223 G366 | R150-R152 HydrophobicContact CG-CB 4.03Å; R150-R152 HydrophobicContact CG-CG 4.37Å; R150-R152 PolarHBondContact O-N 2.76Å; R150-E154 IonicContact NH2-OE2 2.86Å; R150-E154 PolarHBondContact NH2-OE2 3.22Å; R150-D223 WeakPolarHBondContact CG-OD2 3.29Å; R150-D223 PolarHBondContact N-OD2 2.93Å; R150-D223 VanDerWaalsContact N-OD2 3.15Å; R150-G366 PolarHBondContact NH1-O 2.86Å | ||
| 151 | N | 65.3 | Low | 66.1 | Low | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -60 | 119 | 161.7 | -86.5 | 32.3 | 0 | 0 | 0 | 108 | S338 L340 L342 Y364 | N151-S338 PolarHBondContact ND2-OG 3.38Å; N151-L340 PolarHBondContact ND2-O 3.19Å; N151-L340 PolarHBondContact OD1-O 3.08Å; N151-L342 WeakPolarHBondContact ND2-CG 3.48Å; N151-L342 WeakPolarHBondContact OD1-CB 3.44Å; N151-L342 WeakPolarHBondContact OD1-CD1 3.4Å; N151-L342 WeakPolarHBondContact OD1-CG 3.48Å; N151-L342 PolarHBondContact OD1-N 3.44Å; N151-Y364 HydrophobicContact CB-CE1 4.03Å; N151-Y364 WeakPolarHBondContact O-CE1 3.39Å; N151-Y364 PolarHBondContact O-OH 3.2Å |
| 152 | R | 64.3 | Low | 64 | Low | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | trans | -153.1 | 154.7 | 179.4 | 63.4 | -175.1 | -62 | 162.2 | 7.7 | 108.7 | R150 E154 L164 D223 D248 | R150-R152 HydrophobicContact CG-CB 4.03Å; R150-R152 HydrophobicContact CG-CG 4.37Å; R150-R152 PolarHBondContact O-N 2.76Å; R152-E154 PolarHBondContact NE-O 2.78Å; R152-E154 PolarHBondContact NH2-O 3.41Å; R152-L164 WeakPolarHBondContact O-CD2 3.32Å; R152-D223 PolarHBondContact NH1-O 3.21Å; R152-D248 IonicContact CZ-OD1 3.32Å; R152-D248 IonicContact CZ-OD2 2.66Å; R152-D248 IonicContact NH1-OD1 3.03Å; R152-D248 IonicContact NH1-OD2 3.8Å; R152-D248 PolarHBondContact NH1-OD2 2.69Å; R152-D248 IonicContact NH2-OD1 3.7Å; R152-D248 PolarHBondContact NH2-OD1 3.07Å; R152-D248 IonicContact NH2-OD2 3.71Å; R152-D248 PolarHBondContact NH2-OD2 3.05Å; R152-D248 VanDerWaalsContact NH2-OD2 3.12Å | ||
| 153 | P | 45 | Very low | 62.3 | Low | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | trans | -119 | 10.6 | 159.7 | 43 | -36.7 | 0 | 0 | 0 | 114.6 | Y102 L164 Y363 Y364 | Y102-P153 VanDerWaalsContact CB-CG 3.46Å; Y102-P153 HydrophobicContact CG-CB 4.11Å; P153-L164 HydrophobicContact CB-CD2 3.66Å; P153-Y363 HydrophobicContact CB-CD2 4.23Å; P153-Y363 HydrophobicContact CB-CG 4.2Å; P153-Y363 HydrophobicContact CG-CG 4.49Å; P153-Y364 WeakPolarHBondContact CD-O 3.37Å | ||
| 154 | E | 40.4 | Very low | 61.2 | Low | 52 Ų | 52 | 38 Ų | 38 | 24% | 0.243 | 19% | 0.193 | C | C | . | . | trans | -92.1 | 119.9 | -171.9 | -68.6 | 176.9 | 144.9 | 0 | 0 | 110.8 | R111 R150 R152 | R111-E154 IonicContact NH1-OE1 2.97Å; R150-E154 IonicContact NH2-OE2 2.86Å; R150-E154 PolarHBondContact NH2-OE2 3.22Å; R152-E154 PolarHBondContact NE-O 2.78Å; R152-E154 PolarHBondContact NH2-O 3.41Å | ||
| 155 | V | 39.4 | Very low | 60.9 | Low | 13 Ų | 13 | 37.1 Ų | 37.1 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | -130.2 | 135.8 | 126.9 | 170.2 | 0 | 0 | 0 | 0 | 109.4 | C157 E163 M247 D248 P249 | V155-C157 HydrophobicContact CG1-CB 3.91Å; V155-C157 WeakPolarHBondContact CG1-SG 3.15Å; V155-C157 PolarHBondContact O-N 3.3Å; V155-E163 HydrophobicContact CB-CB 4.47Å; V155-E163 HydrophobicContact CB-CG 3.97Å; V155-E163 HydrophobicContact CG2-CB 4.13Å; V155-E163 HydrophobicContact CG2-CG 3.97Å; V155-E163 WeakPolarHBondContact CG2-OE2 3.26Å; V155-M247 HydrophobicContact CG2-CB 4.38Å; V155-D248 WeakPolarHBondContact CG2-OD1 3.37Å; V155-P249 HydrophobicContact CG1-CG 4.17Å | |||
| 156 | M | 30.6 | Very low | 60.8 | Low | 173 Ų | 173 | 37.1 Ų | 37.1 | 85% | 0.852 | 19% | 0.19 | S | C | * | . | trans | -69 | 63.4 | 165.7 | -168.7 | 178.3 | 78.8 | 0 | 0 | 109.3 | ||||
| 157 | C | 36.8 | Very low | 60.8 | Low | 34 Ų | 34 | 37.1 Ų | 37.1 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | trans | -95.8 | 123.7 | 174.1 | -95.2 | 0 | 0 | 0 | 0 | 107.7 | V155 F159 | V155-C157 HydrophobicContact CG1-CB 3.91Å; V155-C157 WeakPolarHBondContact CG1-SG 3.15Å; V155-C157 PolarHBondContact O-N 3.3Å; C157-F159 PolarHBondContact O-N 2.87Å | ||
| 158 | T | 38.7 | Very low | 60.9 | Low | 125 Ų | 125 | 37.1 Ų | 37.1 | 77% | 0.767 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -62.5 | 9 | 172.8 | 35.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 159 | F | 41.5 | Very low | 61.2 | Low | 125 Ų | 125 | 36.6 Ų | 36.6 | 55% | 0.548 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -149.8 | 87.7 | -168.2 | -64 | -69.6 | 0 | 0 | 0 | 109.7 | C157 V161 R273 | C157-F159 PolarHBondContact O-N 2.87Å; F159-V161 PolarHBondContact O-N 3.5Å; F159-R273 PolarHBondContact O-NH2 3.08Å |
| 160 | D | 45.4 | Very low | 61.7 | Low | 128 Ų | 128 | 36.5 Ų | 36.5 | 68% | 0.684 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 16.1 | 20.3 | 158.6 | -53.3 | -40.9 | 0 | 0 | 0 | 123 | K104 | K104-D160 IonicContact NZ-OD1 3.76Š|
| 161 | V | 45.4 | Very low | 62.8 | Low | 21 Ų | 21 | 33.2 Ų | 33.2 | 13% | 0.127 | 17% | 0.174 | C | C | . | . | trans | -118.1 | 105.2 | 173.2 | -170.4 | 0 | 0 | 0 | 0 | 107.5 | F159 V272 R273 | F159-V161 PolarHBondContact O-N 3.5Å; V161-V272 HydrophobicContact CG1-CB 4.12Å; V161-V272 HydrophobicContact CG1-CG1 3.77Å; V161-V272 HydrophobicContact CG1-CG2 4.38Å; V161-R273 HydrophobicContact CG2-CG 4.08Å | ||
| 162 | D | 50.3 | Low | 64.2 | Low | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | trans | -87.2 | 128.9 | -177.6 | -57.7 | -68.5 | 0 | 0 | 0 | 110.9 | Y102 L116 L164 I167 | Y102-D162 HydrophobicContact CD1-CB 4.35Å; Y102-D162 HydrophobicContact CE1-CB 3.96Å; Y102-D162 WeakPolarHBondContact CE1-OD2 3.43Å; Y102-D162 WeakPolarHBondContact CE2-OD1 3.42Å; Y102-D162 PolarHBondContact OH-OD1 2.94Å; Y102-D162 PolarHBondContact OH-OD2 3.31Å; L116-D162 HydrophobicContact CD1-CB 4.12Å; L116-D162 WeakPolarHBondContact CD2-OD2 3.37Å; D162-L164 HydrophobicContact CB-CD1 4.48Å; D162-L164 PolarHBondContact O-N 2.9Å; D162-I167 WeakPolarHBondContact O-CD1 3.26Å | ||
| 163 | E | 54.2 | Low | 65.8 | Low | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -90 | 93.8 | -166.1 | -51 | -172.2 | 170.7 | 0 | 0 | 110.6 | V155 M247 F268 D269 | V155-E163 HydrophobicContact CB-CB 4.47Å; V155-E163 HydrophobicContact CB-CG 3.97Å; V155-E163 HydrophobicContact CG2-CB 4.13Å; V155-E163 HydrophobicContact CG2-CG 3.97Å; V155-E163 WeakPolarHBondContact CG2-OE2 3.26Å; E163-M247 HydrophobicContact CB-CB 4.26Å; E163-M247 HydrophobicContact CB-CG 4.36Å; E163-M247 VanDerWaalsContact CD-O 3.31Å; E163-M247 WeakPolarHBondContact OE2-CA 3.42Å; E163-M247 WeakPolarHBondContact OE2-CB 3.47Å; E163-F268 HydrophobicContact CB-CD1 3.71Å; E163-F268 HydrophobicContact CB-CE1 3.93Å; E163-F268 HydrophobicContact CB-CG 4.38Å; E163-F268 HydrophobicContact CG-CD1 3.52Å; E163-F268 HydrophobicContact CG-CE1 4.08Å; E163-F268 HydrophobicContact CG-CG 4.32Å; E163-D269 PolarHBondContact OE1-N 3.16Å | ||
| 164 | L | 68.6 | Low | 68.4 | Low | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -108.6 | 140.4 | -170.9 | -67.4 | 162 | 0 | 0 | 0 | 111.2 | L100 L116 R152 P153 D162 V166 I167 S168 Y363 | L100-L164 HydrophobicContact CB-CD1 3.7Å; L100-L164 HydrophobicContact CD1-CB 4.32Å; L100-L164 HydrophobicContact CD1-CD1 3.54Å; L100-L164 HydrophobicContact CD1-CG 4.47Å; L100-L164 HydrophobicContact CG-CD1 4.26Å; L116-L164 HydrophobicContact CD1-CD1 3.66Å; R152-L164 WeakPolarHBondContact O-CD2 3.32Å; P153-L164 HydrophobicContact CB-CD2 3.66Å; D162-L164 HydrophobicContact CB-CD1 4.48Å; D162-L164 PolarHBondContact O-N 2.9Å; L164-V166 PolarHBondContact O-N 2.96Å; L164-I167 HydrophobicContact CB-CD1 4.08Å; L164-I167 HydrophobicContact CB-CG1 4.18Å; L164-I167 HydrophobicContact CD1-CD1 4.35Å; L164-I167 WeakPolarHBondContact O-CB 3.35Å; L164-I167 PolarHBondContact O-N 2.91Å; L164-S168 PolarHBondContact O-N 3.28Å; L164-Y363 HydrophobicContact CD2-CD2 3.85Å; L164-Y363 HydrophobicContact CD2-CE2 3.82Å | ||
| 165 | W | 86.1 | Confident | 71.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -51.1 | -40.2 | 171.3 | -169.4 | 107.3 | 0 | 0 | 0 | 111.2 | I147 I167 S168 E169 P181 L342 R348 | I147-W165 HydrophobicContact CG2-CD2 4.38Å; I147-W165 HydrophobicContact CG2-CG 4.18Å; W165-I167 PolarHBondContact O-N 3.32Å; W165-S168 VanDerWaalsContact O-CB 3.32Å; W165-S168 WeakPolarHBondContact O-CB 3.47Å; W165-S168 PolarHBondContact O-N 2.96Å; W165-E169 HydrophobicContact CE3-CB 3.97Å; W165-E169 HydrophobicContact CH2-CB 4.41Å; W165-E169 HydrophobicContact CH2-CG 4.34Å; W165-E169 HydrophobicContact CZ3-CB 3.71Å; W165-E169 VanDerWaalsContact CZ3-CD 3.43Å; W165-E169 HydrophobicContact CZ3-CG 3.87Å; W165-E169 PolarHBondContact O-N 3.26Å; W165-P181 HydrophobicContact CZ2-CB 3.98Å; W165-L342 HydrophobicContact CB-CD1 3.89Å; W165-L342 HydrophobicContact CD2-CB 3.55Å; W165-L342 HydrophobicContact CD2-CD1 3.76Å; W165-L342 HydrophobicContact CD2-CG 4.22Å; W165-L342 HydrophobicContact CE3-CB 3.69Å; W165-L342 HydrophobicContact CE3-CD1 3.58Å; W165-L342 HydrophobicContact CE3-CD2 4.3Å; W165-L342 HydrophobicContact CE3-CG 4.04Å; W165-L342 HydrophobicContact CG-CB 4.12Å; W165-L342 HydrophobicContact CG-CD1 3.91Å; W165-L342 HydrophobicContact CH2-CB 3.88Å; W165-L342 WeakPolarHBondContact CH2-O 3.49Å; W165-L342 HydrophobicContact CZ2-CB 3.73Å; W165-L342 WeakPolarHBondContact CZ2-O 3.31Å; W165-L342 HydrophobicContact CZ3-CB 3.84Å; W165-L342 HydrophobicContact CZ3-CD1 4.3Å; W165-L342 HydrophobicContact CZ3-CD2 4.19Å; W165-L342 HydrophobicContact CZ3-CG 4.32Å; W165-R348 HydrophobicContact CH2-CG 4.13Å; W165-R348 HydrophobicContact CZ3-CG 4.41Å |
| 166 | V | 91.9 | Very high | 73.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 112.8 | L100 V121 L164 S168 E169 Q170 L342 E351 M355 Y363 | L100-V166 HydrophobicContact CD1-CB 3.81Å; L100-V166 HydrophobicContact CD1-CG1 3.85Å; L100-V166 HydrophobicContact CD1-CG2 4.42Å; V121-V166 HydrophobicContact CG1-CG1 4.46Å; L164-V166 PolarHBondContact O-N 2.96Å; V166-S168 VanDerWaalsContact C-N 3.29Å; V166-S168 PolarHBondContact O-N 2.85Å; V166-E169 PolarHBondContact O-N 2.9Å; V166-Q170 HydrophobicContact CG1-CG 3.93Å; V166-Q170 WeakPolarHBondContact O-CB 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.47Å; V166-Q170 PolarHBondContact O-N 2.8Å; V166-L342 HydrophobicContact CG2-CD1 4.33Å; V166-E351 WeakPolarHBondContact CG2-OE2 3.26Å; V166-M355 HydrophobicContact CB-CE 4.45Å; V166-M355 HydrophobicContact CG1-CE 3.56Å; V166-M355 HydrophobicContact CG2-CE 3.98Å; V166-Y363 WeakPolarHBondContact CG2-OH 3.35Å |
| 167 | I | 92.9 | Very high | 77 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.3 | -69.1 | 167.8 | 0 | 0 | 0 | 110 | L116 V121 L128 D162 L164 W165 A171 F268 | L116-I167 HydrophobicContact CD1-CD1 4.36Å; V121-I167 HydrophobicContact CG1-CG1 4.14Å; L128-I167 HydrophobicContact CD2-CG2 4.28Å; D162-I167 WeakPolarHBondContact O-CD1 3.26Å; L164-I167 HydrophobicContact CB-CD1 4.08Å; L164-I167 HydrophobicContact CB-CG1 4.18Å; L164-I167 HydrophobicContact CD1-CD1 4.35Å; L164-I167 WeakPolarHBondContact O-CB 3.35Å; L164-I167 PolarHBondContact O-N 2.91Å; W165-I167 PolarHBondContact O-N 3.32Å; I167-A171 WeakPolarHBondContact O-CB 3.31Å; I167-A171 PolarHBondContact O-N 3.49Å; I167-F268 HydrophobicContact CB-CZ 4.4Å; I167-F268 HydrophobicContact CG2-CE1 4.47Å; I167-F268 HydrophobicContact CG2-CZ 3.97Å |
| 168 | S | 93.9 | Very high | 79.8 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | L164 W165 V166 T172 F268 | L164-S168 PolarHBondContact O-N 3.28Å; W165-S168 VanDerWaalsContact O-CB 3.32Å; W165-S168 WeakPolarHBondContact O-CB 3.47Å; W165-S168 PolarHBondContact O-N 2.96Å; V166-S168 VanDerWaalsContact C-N 3.29Å; V166-S168 PolarHBondContact O-N 2.85Å; S168-T172 PolarHBondContact O-N 2.71Å; S168-F268 WeakPolarHBondContact OG-CE2 3.38Å |
| 169 | E | 94.4 | Very high | 82.4 | Confident | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.8 | -54.7 | 176.7 | -175.6 | -166.4 | -149.5 | 0 | 0 | 111.3 | I147 W165 V166 A171 T172 Y173 R348 | I147-E169 HydrophobicContact CD1-CB 4.33Å; W165-E169 HydrophobicContact CE3-CB 3.97Å; W165-E169 HydrophobicContact CH2-CB 4.41Å; W165-E169 HydrophobicContact CH2-CG 4.34Å; W165-E169 HydrophobicContact CZ3-CB 3.71Å; W165-E169 VanDerWaalsContact CZ3-CD 3.43Å; W165-E169 HydrophobicContact CZ3-CG 3.87Å; W165-E169 PolarHBondContact O-N 3.26Å; V166-E169 PolarHBondContact O-N 2.9Å; E169-A171 VanDerWaalsContact C-N 3.27Å; E169-A171 PolarHBondContact O-N 3.01Å; E169-T172 WeakPolarHBondContact O-CB 3.48Å; E169-T172 PolarHBondContact O-N 3.17Å; E169-T172 VanDerWaalsContact O-N 3.07Å; E169-T172 PolarHBondContact O-OG1 2.9Å; E169-Y173 VanDerWaalsContact CD-OH 3.32Å; E169-Y173 HydrophobicContact CG-CE2 3.65Å; E169-Y173 WeakPolarHBondContact CG-OH 3.43Å; E169-Y173 PolarHBondContact OE1-OH 3.21Å; E169-R348 IonicContact OE1-CZ 3.95Å; E169-R348 VanDerWaalsContact OE1-CZ 3.24Å; E169-R348 IonicContact OE1-NE 3.34Å; E169-R348 PolarHBondContact OE1-NE 2.88Å; E169-R348 IonicContact OE1-NH2 3.43Å; E169-R348 PolarHBondContact OE1-NH2 3.08Å |
| 170 | Q | 96 | Very high | 84.9 | Confident | 3 Ų | 3 | 8.9 Ų | 8.9 | 1% | 0.014 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.8 | -32.1 | -177.6 | -66.5 | -61 | -38.9 | 0 | 0 | 112.4 | I87 S125 V166 T172 Y173 V174 | I87-Q170 HydrophobicContact CD1-CG 4.02Å; S125-Q170 WeakPolarHBondContact OG-CB 3.39Å; V166-Q170 HydrophobicContact CG1-CG 3.93Å; V166-Q170 WeakPolarHBondContact O-CB 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.47Å; V166-Q170 PolarHBondContact O-N 2.8Å; Q170-T172 VanDerWaalsContact C-N 3.28Å; Q170-T172 PolarHBondContact O-N 3.1Å; Q170-Y173 PolarHBondContact O-N 2.83Å; Q170-V174 PolarHBondContact O-N 3.29Å |
| 171 | A | 96.7 | Very high | 87 | Confident | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -60.7 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S125 L128 A129 F132 I167 E169 Y173 V174 | S125-A171 WeakPolarHBondContact O-CA 3.35Å; S125-A171 VanDerWaalsContact O-CB 3.25Å; S125-A171 WeakPolarHBondContact O-CB 3.47Å; L128-A171 HydrophobicContact CB-CB 3.89Å; L128-A171 HydrophobicContact CD2-CB 3.82Å; L128-A171 HydrophobicContact CG-CB 3.94Å; A129-A171 HydrophobicContact CB-CB 4.2Å; A129-A171 VanDerWaalsContact CB-O 3.27Å; A129-A171 WeakPolarHBondContact CB-O 3.05Å; F132-A171 HydrophobicContact CE2-CB 3.85Å; F132-A171 HydrophobicContact CZ-CB 4.23Å; I167-A171 WeakPolarHBondContact O-CB 3.31Å; I167-A171 PolarHBondContact O-N 3.49Å; E169-A171 VanDerWaalsContact C-N 3.27Å; E169-A171 PolarHBondContact O-N 3.01Å; A171-Y173 VanDerWaalsContact C-N 3.26Å; A171-Y173 PolarHBondContact O-N 2.84Å; A171-V174 PolarHBondContact O-N 3.1Å |
| 172 | T | 96.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -62.4 | -35.9 | 177 | 64.6 | 0 | 0 | 0 | 0 | 112 | I145 S168 E169 Q170 V174 M177 N179 | I145-T172 HydrophobicContact CB-CG2 3.85Å; I145-T172 HydrophobicContact CG1-CG2 4.02Å; I145-T172 HydrophobicContact CG2-CG2 4.2Å; S168-T172 PolarHBondContact O-N 2.71Å; E169-T172 WeakPolarHBondContact O-CB 3.48Å; E169-T172 PolarHBondContact O-N 3.17Å; E169-T172 VanDerWaalsContact O-N 3.07Å; E169-T172 PolarHBondContact O-OG1 2.9Å; Q170-T172 VanDerWaalsContact C-N 3.28Å; Q170-T172 PolarHBondContact O-N 3.1Å; T172-V174 PolarHBondContact O-N 2.71Å; T172-M177 WeakPolarHBondContact O-CA 3.5Å; T172-M177 WeakPolarHBondContact O-CB 3.21Å; T172-M177 PolarHBondContact O-N 3.39Å; T172-N179 HydrophobicContact CG2-CB 3.97Å; T172-N179 PolarHBondContact OG1-ND2 3.18Å |
| 173 | Y | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -75.4 | -21.7 | -177 | -50.2 | -36.3 | 0 | 0 | 0 | 113.7 | V83 E169 Q170 A171 Y175 S176 N179 P287 C293 H312 R348 | V83-Y173 HydrophobicContact CB-CE2 4.12Å; V83-Y173 HydrophobicContact CG1-CD2 4.35Å; V83-Y173 HydrophobicContact CG1-CE2 3.65Å; E169-Y173 VanDerWaalsContact CD-OH 3.32Å; E169-Y173 HydrophobicContact CG-CE2 3.65Å; E169-Y173 WeakPolarHBondContact CG-OH 3.43Å; E169-Y173 PolarHBondContact OE1-OH 3.21Å; Q170-Y173 PolarHBondContact O-N 2.83Å; A171-Y173 VanDerWaalsContact C-N 3.26Å; A171-Y173 PolarHBondContact O-N 2.84Å; Y173-Y175 PolarHBondContact O-N 3.05Å; Y173-Y175 VanDerWaalsContact O-N 3.13Å; Y173-S176 PolarHBondContact O-N 3.34Å; Y173-N179 WeakPolarHBondContact CE1-ND2 3.42Å; Y173-N179 VanDerWaalsContact CZ-ND2 3.3Å; Y173-N179 PolarHBondContact OH-ND2 3.11Å; Y173-P287 VanDerWaalsContact O-CD 3.25Å; Y173-P287 WeakPolarHBondContact O-CD 3.4Å; Y173-C293 WeakPolarHBondContact CE1-O 3.44Å; Y173-C293 VanDerWaalsContact CE1-SG 3.6Å; Y173-C293 PolarHBondContact OH-SG 3.02Å; Y173-H312 AromaticContact CD1-CE1 3.56Å; Y173-H312 AromaticContact CD1-NE2 3.84Å; Y173-H312 AromaticContact CE1-CE1 3.72Å; Y173-H312 AromaticContact CG-CE1 3.93Å; Y173-R348 PolarHBondContact OH-NH2 3.36Å; Y173-R348 VanDerWaalsContact OH-NH2 3.15Å |
| 174 | V | 98.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 5.3 Ų | 5.3 | 1% | 0.012 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.9 | -179 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | Y84 E126 A129 Q170 A171 T172 P284 T285 | Y84-V174 HydrophobicContact CE2-CG2 4.4Å; E126-V174 HydrophobicContact CG-CG1 4.31Å; E126-V174 HydrophobicContact CG-CG2 3.98Å; A129-V174 HydrophobicContact CB-CB 3.57Å; A129-V174 HydrophobicContact CB-CG1 3.86Å; A129-V174 HydrophobicContact CB-CG2 3.88Å; Q170-V174 PolarHBondContact O-N 3.29Å; A171-V174 PolarHBondContact O-N 3.1Å; T172-V174 PolarHBondContact O-N 2.71Å; V174-P284 HydrophobicContact CG1-CB 3.98Å; V174-P284 HydrophobicContact CG1-CG 4.2Å; V174-T285 CarbonylContact O-C 3.41Å; V174-T285 PolarHBondContact O-N 3.12Å |
| 175 | Y | 97.9 | Very high | 90.4 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 1% | 0.012 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 32.9 | 178.9 | -66 | -68.9 | 0 | 0 | 0 | 112.2 | A129 K130 L133 P139 G140 Y173 M177 P282 P283 T285 | A129-Y175 HydrophobicContact CB-CD2 3.89Å; A129-Y175 HydrophobicContact CB-CE2 3.95Å; K130-Y175 HydrophobicContact CG-CE2 4.49Å; L133-Y175 HydrophobicContact CD1-CD1 4.06Å; L133-Y175 HydrophobicContact CD1-CD2 3.84Å; L133-Y175 HydrophobicContact CD1-CE1 3.72Å; L133-Y175 HydrophobicContact CD1-CE2 3.5Å; L133-Y175 VanDerWaalsContact CD1-CE2 3.5Å; L133-Y175 HydrophobicContact CD1-CG 4.12Å; L133-Y175 VanDerWaalsContact CD1-CZ 3.43Å; L133-Y175 HydrophobicContact CD2-CD2 4.34Å; L133-Y175 HydrophobicContact CD2-CG 4.5Å; L133-Y175 HydrophobicContact CG-CD2 4.03Å; L133-Y175 HydrophobicContact CG-CE2 3.96Å; P139-Y175 HydrophobicContact CB-CG 4.43Å; G140-Y175 PolarHBondContact N-O 2.86Å; Y173-Y175 PolarHBondContact O-N 3.05Å; Y173-Y175 VanDerWaalsContact O-N 3.13Å; Y175-M177 PolarHBondContact O-N 3.29Å; Y175-M177 VanDerWaalsContact O-N 3.12Å; Y175-P282 HydrophobicContact CE1-CG 4.12Å; Y175-P282 PolarHBondContact OH-O 2.68Å; Y175-P283 WeakPolarHBondContact CE1-O 3.34Å; Y175-T285 CarbonylContact C-O 3.45Å; Y175-T285 WeakPolarHBondContact CA-O 3.43Å |
| 176 | S | 97.6 | Very high | 89.3 | Confident | 11 Ų | 11 | 8.6 Ų | 8.6 | 8% | 0.077 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 32.8 | 174.7 | -57.9 | 0 | 0 | 0 | 0 | 114.8 | G140 Q141 Y173 T285 P286 P287 | G140-S176 CarbonylContact C-O 3.46Å; G140-S176 WeakPolarHBondContact CA-O 3.2Å; Q141-S176 PolarHBondContact N-O 2.8Å; Q141-S176 PolarHBondContact NE2-O 2.98Å; Y173-S176 PolarHBondContact O-N 3.34Å; S176-T285 PolarHBondContact N-O 2.73Å; S176-T285 PolarHBondContact OG-O 2.88Å; S176-P286 PolarHBondContact OG-O 3.47Å; S176-P287 VanDerWaalsContact OG-CA 3.29Å; S176-P287 WeakPolarHBondContact OG-CA 3.37Å |
| 177 | M | 96.2 | Very high | 88 | Confident | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | trans | -85 | 160.1 | 173 | -55 | 174.1 | -175 | 0 | 0 | 110.2 | F132 L133 I137 S138 T143 I145 T172 Y175 | F132-M177 HydrophobicContact CB-CE 4.26Å; F132-M177 HydrophobicContact CD2-SD 4.08Å; L133-M177 HydrophobicContact CD2-CE 3.76Å; I137-M177 HydrophobicContact CG2-CE 4.02Å; I137-M177 HydrophobicContact CG2-SD 4.2Å; S138-M177 WeakPolarHBondContact O-CE 3.26Å; T143-M177 HydrophobicContact CG2-CB 4.24Å; T143-M177 HydrophobicContact CG2-CG 3.9Å; T143-M177 HydrophobicContact CG2-SD 3.9Å; I145-M177 HydrophobicContact CD1-SD 4.37Å; I145-M177 HydrophobicContact CG1-CB 4.47Å; I145-M177 HydrophobicContact CG1-SD 4.21Å; T172-M177 WeakPolarHBondContact O-CA 3.5Å; T172-M177 WeakPolarHBondContact O-CB 3.21Å; T172-M177 PolarHBondContact O-N 3.39Å; Y175-M177 PolarHBondContact O-N 3.29Å; Y175-M177 VanDerWaalsContact O-N 3.12Å | ||
| 178 | V | 95.6 | Very high | 87 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127 | -177.3 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | T143 F144 I145 L292 V295 | T143-V178 PolarHBondContact O-N 2.87Å; F144-V178 CarbonylContact C-O 3.59Å; F144-V178 VanDerWaalsContact CA-O 3.31Å; F144-V178 WeakPolarHBondContact CA-O 3.33Å; F144-V178 HydrophobicContact CD1-CB 3.84Å; F144-V178 HydrophobicContact CD1-CG1 3.95Å; F144-V178 HydrophobicContact CE1-CB 3.92Å; F144-V178 HydrophobicContact CE1-CG1 3.88Å; F144-V178 HydrophobicContact CE1-CG2 4.23Å; F144-V178 HydrophobicContact CG-CB 4.49Å; I145-V178 PolarHBondContact N-O 2.96Å; V178-L292 HydrophobicContact CG1-CB 4.02Å; V178-L292 HydrophobicContact CG2-CB 3.76Å; V178-V295 HydrophobicContact CG1-CG2 4.04Å |
| 179 | N | 94.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 143.3 | 172.3 | 59.9 | 83.9 | 0 | 0 | 0 | 112.3 | I145 I147 T172 Y173 C293 T294 V295 R348 | I145-N179 CarbonylContact O-C 3.56Å; I145-N179 WeakPolarHBondContact O-CA 3.44Å; I147-N179 HydrophobicContact CD1-CB 3.82Å; I147-N179 HydrophobicContact CG1-CB 4.41Å; T172-N179 HydrophobicContact CG2-CB 3.97Å; T172-N179 PolarHBondContact OG1-ND2 3.18Å; Y173-N179 WeakPolarHBondContact CE1-ND2 3.42Å; Y173-N179 VanDerWaalsContact CZ-ND2 3.3Å; Y173-N179 PolarHBondContact OH-ND2 3.11Å; N179-C293 PolarHBondContact ND2-O 3.44Å; N179-T294 VanDerWaalsContact O-CA 3.28Å; N179-T294 WeakPolarHBondContact O-CA 3.46Å; N179-T294 PolarHBondContact O-OG1 3.48Å; N179-T294 WeakPolarHBondContact OD1-CB 3.45Å; N179-T294 PolarHBondContact OD1-OG1 2.67Å; N179-V295 PolarHBondContact O-N 3.04Å; N179-V295 VanDerWaalsContact O-N 3.08Å; N179-R348 PolarHBondContact OD1-NH2 3.18Å |
| 180 | V | 93.4 | Very high | 84.9 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 94.7 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | F144 I145 G146 I147 L182 I194 I217 V295 Y297 | F144-V180 HydrophobicContact CB-CG2 3.95Å; F144-V180 HydrophobicContact CD1-CG2 3.83Å; F144-V180 HydrophobicContact CG-CG2 4.38Å; I145-V180 PolarHBondContact O-N 2.94Å; G146-V180 WeakPolarHBondContact CA-O 3.22Å; I147-V180 PolarHBondContact N-O 3.43Å; V180-L182 HydrophobicContact CG1-CD2 4.36Å; V180-I194 HydrophobicContact CG1-CG2 3.87Å; V180-I217 HydrophobicContact CB-CD1 3.98Å; V180-I217 HydrophobicContact CG1-CD1 3.98Å; V180-I217 HydrophobicContact CG2-CD1 4.17Å; V180-V295 HydrophobicContact CG2-CB 4.34Å; V180-Y297 HydrophobicContact CG1-CD2 3.92Å; V180-Y297 HydrophobicContact CG1-CE2 3.61Å |
| 181 | P | 89.3 | Confident | 84 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.6 | -180 | 29 | -35.9 | 0 | 0 | 0 | 112 | W165 T294 V295 A343 | W165-P181 HydrophobicContact CZ2-CB 3.98Å; P181-T294 WeakPolarHBondContact CD-OG1 3.37Å; P181-V295 WeakPolarHBondContact CD-O 3.35Å; P181-A343 HydrophobicContact CB-CB 3.93Å |
| 182 | L | 83.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.8 | 177.7 | -55 | 173 | 0 | 0 | 0 | 108.3 | I147 Y148 V180 L186 V191 I194 | I147-L182 PolarHBondContact O-N 2.9Å; Y148-L182 HydrophobicContact CD2-CB 3.76Å; Y148-L182 WeakPolarHBondContact CD2-O 3.38Å; Y148-L182 HydrophobicContact CG-CB 3.92Å; Y148-L182 HydrophobicContact CG-CD1 4.34Å; V180-L182 HydrophobicContact CG1-CD2 4.36Å; L182-L186 HydrophobicContact CB-CD1 4.2Å; L182-L186 HydrophobicContact CD2-CD1 4.16Å; L182-V191 HydrophobicContact CD1-CG1 4.2Å; L182-I194 HydrophobicContact CD2-CB 4.11Å; L182-I194 HydrophobicContact CD2-CD1 3.79Å; L182-I194 HydrophobicContact CD2-CG2 3.65Å |
| 183 | Y | 74.4 | Confident | 82.4 | Confident | 9 Ų | 9 | 24.4 Ų | 24.4 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | trans | -100 | 149.8 | 178.8 | 46 | -83.5 | 0 | 0 | 0 | 112.6 | T185 L186 Y297 S299 A343 P694 | Y183-T185 WeakPolarHBondContact CD2-OG1 3.49Å; Y183-T185 PolarHBondContact O-N 3.43Å; Y183-T185 VanDerWaalsContact O-N 3.11Å; Y183-L186 HydrophobicContact CD1-CD1 3.98Å; Y183-L186 HydrophobicContact CD1-CG 3.99Å; Y183-L186 HydrophobicContact CD2-CB 4.32Å; Y183-L186 HydrophobicContact CD2-CD1 4.38Å; Y183-L186 HydrophobicContact CD2-CD2 4.37Å; Y183-L186 HydrophobicContact CD2-CG 3.63Å; Y183-L186 HydrophobicContact CE1-CD1 3.98Å; Y183-L186 HydrophobicContact CE1-CD2 3.82Å; Y183-L186 HydrophobicContact CE1-CG 3.76Å; Y183-L186 HydrophobicContact CE2-CB 4.2Å; Y183-L186 HydrophobicContact CE2-CD1 4.37Å; Y183-L186 HydrophobicContact CE2-CD2 3.6Å; Y183-L186 HydrophobicContact CE2-CG 3.36Å; Y183-L186 HydrophobicContact CG-CD1 4.19Å; Y183-L186 HydrophobicContact CG-CG 3.93Å; Y183-L186 VanDerWaalsContact CZ-CG 3.45Å; Y183-L186 WeakPolarHBondContact O-CB 3.47Å; Y183-L186 PolarHBondContact O-N 3.14Å; Y183-L186 VanDerWaalsContact O-N 3.09Å; Y183-L186 VanDerWaalsContact OH-CD2 3.24Å; Y183-L186 WeakPolarHBondContact OH-CD2 3.3Å; Y183-Y297 VanDerWaalsContact CE1-O 3.31Å; Y183-Y297 WeakPolarHBondContact CE1-O 3.43Å; Y183-Y297 PolarHBondContact OH-O 2.95Å; Y183-Y297 VanDerWaalsContact OH-O 3.13Å; Y183-S299 WeakPolarHBondContact OH-CA 3.32Å; Y183-S299 PolarHBondContact OH-N 3.04Å; Y183-A343 HydrophobicContact CD1-CB 3.88Å; Y183-A343 HydrophobicContact CG-CB 4.28Å; Y183-P694 HydrophobicContact CD2-CB 4Å; Y183-P694 HydrophobicContact CE2-CB 3.38Å; Y183-P694 HydrophobicContact CE2-CG 4.09Å | ||
| 184 | D | 66.5 | Low | 81.5 | Confident | 74 Ų | 74 | 24.6 Ų | 24.6 | 40% | 0.396 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -54.7 | -34.1 | -174 | -71.3 | -7.7 | 0 | 0 | 0 | 114.2 | K227 | D184-K227 WeakPolarHBondContact OD1-CE 3.38Å; D184-K227 IonicContact OD1-NZ 3.4Å; D184-K227 PolarHBondContact OD1-NZ 2.85Å; D184-K227 IonicContact OD2-NZ 2.77Å |
| 185 | T | 65.2 | Low | 80.7 | Confident | 54 Ų | 54 | 24.5 Ų | 24.5 | 33% | 0.331 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -85.1 | -4.6 | -174.4 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | Y183 G187 P694 | Y183-T185 WeakPolarHBondContact CD2-OG1 3.49Å; Y183-T185 PolarHBondContact O-N 3.43Å; Y183-T185 VanDerWaalsContact O-N 3.11Å; T185-G187 PolarHBondContact O-N 3.06Å; T185-P694 WeakPolarHBondContact CB-O 3.32Å; T185-P694 VanDerWaalsContact O-CB 3.26Å; T185-P694 WeakPolarHBondContact O-CB 3.24Å; T185-P694 WeakPolarHBondContact O-CG 3.29Å; T185-P694 WeakPolarHBondContact OG1-CA 3.49Å; T185-P694 VanDerWaalsContact OG1-CB 3.24Å; T185-P694 WeakPolarHBondContact OG1-CB 3.49Å; T185-P694 PolarHBondContact OG1-O 2.9Å |
| 186 | L | 64.1 | Low | 79.7 | Confident | 16 Ų | 16 | 27.3 Ų | 27.3 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -53.1 | -35 | 177 | -87.8 | 164.7 | 0 | 0 | 0 | 112.9 | L182 Y183 A190 V191 I194 P305 | L182-L186 HydrophobicContact CB-CD1 4.2Å; L182-L186 HydrophobicContact CD2-CD1 4.16Å; Y183-L186 HydrophobicContact CD1-CD1 3.98Å; Y183-L186 HydrophobicContact CD1-CG 3.99Å; Y183-L186 HydrophobicContact CD2-CB 4.32Å; Y183-L186 HydrophobicContact CD2-CD1 4.38Å; Y183-L186 HydrophobicContact CD2-CD2 4.37Å; Y183-L186 HydrophobicContact CD2-CG 3.63Å; Y183-L186 HydrophobicContact CE1-CD1 3.98Å; Y183-L186 HydrophobicContact CE1-CD2 3.82Å; Y183-L186 HydrophobicContact CE1-CG 3.76Å; Y183-L186 HydrophobicContact CE2-CB 4.2Å; Y183-L186 HydrophobicContact CE2-CD1 4.37Å; Y183-L186 HydrophobicContact CE2-CD2 3.6Å; Y183-L186 HydrophobicContact CE2-CG 3.36Å; Y183-L186 HydrophobicContact CG-CD1 4.19Å; Y183-L186 HydrophobicContact CG-CG 3.93Å; Y183-L186 VanDerWaalsContact CZ-CG 3.45Å; Y183-L186 WeakPolarHBondContact O-CB 3.47Å; Y183-L186 PolarHBondContact O-N 3.14Å; Y183-L186 VanDerWaalsContact O-N 3.09Å; Y183-L186 VanDerWaalsContact OH-CD2 3.24Å; Y183-L186 WeakPolarHBondContact OH-CD2 3.3Å; L186-A190 HydrophobicContact CB-CB 4.14Å; L186-A190 HydrophobicContact CD2-CB 4.16Å; L186-A190 VanDerWaalsContact O-CB 3.24Å; L186-A190 WeakPolarHBondContact O-CB 3.22Å; L186-V191 HydrophobicContact CB-CG2 3.96Å; L186-V191 HydrophobicContact CD1-CG2 4.15Å; L186-I194 HydrophobicContact CD1-CD1 3.87Å; L186-I194 HydrophobicContact CD2-CD1 4.15Å; L186-P305 HydrophobicContact CD2-CG 4.49Å |
| 187 | G | 64.9 | Low | 78.1 | Confident | 37 Ų | 37 | 27.1 Ų | 27.1 | 38% | 0.381 | 15% | 0.147 | S | C | . | . | trans | 83.8 | 148.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T185 E189 A190 V191 | T185-G187 PolarHBondContact O-N 3.06Å; G187-E189 VanDerWaalsContact C-N 3.32Å; G187-E189 PolarHBondContact O-N 2.87Å; G187-A190 PolarHBondContact O-N 3.13Å; G187-V191 WeakPolarHBondContact O-CG2 3.09Å; G187-V191 PolarHBondContact O-N 3.25Å; G187-V191 VanDerWaalsContact O-N 3.1Å | ||
| 188 | N | 71.8 | Confident | 75.6 | Confident | 53 Ų | 53 | 29.7 Ų | 29.7 | 28% | 0.283 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.4 | -37.5 | -171.6 | -59.8 | -45 | 0 | 0 | 0 | 112.7 | A190 V191 C192 H234 | N188-A190 PolarHBondContact O-N 3.44Å; N188-V191 PolarHBondContact O-N 2.97Å; N188-C192 WeakPolarHBondContact O-CB 3.24Å; N188-C192 PolarHBondContact O-N 2.93Å; N188-C192 PolarHBondContact O-SG 3.43Å; N188-H234 HydrophobicContact CB-CB 4.26Å; N188-H234 VanDerWaalsContact CG-CE1 3.5Å; N188-H234 PolarHBondContact ND2-CE1 3.02Å; N188-H234 PolarHBondContact ND2-NE2 3.44Å; N188-H234 VanDerWaalsContact ND2-NE2 3.19Å |
| 189 | E | 70.1 | Confident | 72.7 | Confident | 172 Ų | 172 | 33.7 Ų | 33.7 | 80% | 0.804 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -61.8 | -42.4 | 178.1 | -66.4 | -179.3 | 178.1 | 0 | 0 | 112.2 | G187 C192 Y193 | G187-E189 VanDerWaalsContact C-N 3.32Å; G187-E189 PolarHBondContact O-N 2.87Å; E189-C192 PolarHBondContact O-N 3.28Å; E189-Y193 WeakPolarHBondContact O-CB 3.43Å; E189-Y193 PolarHBondContact O-N 2.87Å |
| 190 | A | 73.6 | Confident | 69.6 | Low | 15 Ų | 15 | 38.7 Ų | 38.7 | 12% | 0.124 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L186 G187 N188 Y193 I194 P305 | L186-A190 HydrophobicContact CB-CB 4.14Å; L186-A190 HydrophobicContact CD2-CB 4.16Å; L186-A190 VanDerWaalsContact O-CB 3.24Å; L186-A190 WeakPolarHBondContact O-CB 3.22Å; G187-A190 PolarHBondContact O-N 3.13Å; N188-A190 PolarHBondContact O-N 3.44Å; A190-Y193 WeakPolarHBondContact O-CB 3.49Å; A190-Y193 PolarHBondContact O-N 3.08Å; A190-I194 WeakPolarHBondContact O-CD1 3.4Å; A190-I194 VanDerWaalsContact O-CG1 3.22Å; A190-I194 WeakPolarHBondContact O-CG1 3.47Å; A190-I194 PolarHBondContact O-N 3.03Å; A190-P305 HydrophobicContact CB-CG 3.85Å |
| 191 | V | 77.9 | Confident | 66.5 | Low | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | Y148 L182 L186 G187 N188 Y193 I194 I195 L231 | Y148-V191 HydrophobicContact CD1-CG1 4.36Å; Y148-V191 HydrophobicContact CE1-CG1 4.18Å; Y148-V191 HydrophobicContact CE1-CG2 4.25Å; L182-V191 HydrophobicContact CD1-CG1 4.2Å; L186-V191 HydrophobicContact CB-CG2 3.96Å; L186-V191 HydrophobicContact CD1-CG2 4.15Å; G187-V191 WeakPolarHBondContact O-CG2 3.09Å; G187-V191 PolarHBondContact O-N 3.25Å; G187-V191 VanDerWaalsContact O-N 3.1Å; N188-V191 PolarHBondContact O-N 2.97Å; V191-Y193 VanDerWaalsContact C-N 3.31Å; V191-Y193 PolarHBondContact O-N 3.12Å; V191-I194 PolarHBondContact O-N 2.71Å; V191-I195 HydrophobicContact CG1-CD1 3.68Å; V191-I195 HydrophobicContact CG1-CG1 4.5Å; V191-I195 WeakPolarHBondContact O-CD1 3.37Å; V191-I195 VanDerWaalsContact O-CG1 3.26Å; V191-I195 WeakPolarHBondContact O-CG1 3.29Å; V191-I195 PolarHBondContact O-N 2.9Å; V191-L231 HydrophobicContact CG1-CD1 3.73Å |
| 192 | C | 79.3 | Confident | 63.6 | Low | 13 Ų | 13 | 53.2 Ų | 53.2 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 175.8 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | N188 E189 I194 I195 H196 H234 L235 | N188-C192 WeakPolarHBondContact O-CB 3.24Å; N188-C192 PolarHBondContact O-N 2.93Å; N188-C192 PolarHBondContact O-SG 3.43Å; E189-C192 PolarHBondContact O-N 3.28Å; C192-I194 PolarHBondContact O-N 2.85Å; C192-I195 PolarHBondContact O-N 2.86Å; C192-H196 WeakPolarHBondContact O-CB 3.45Å; C192-H196 VanDerWaalsContact O-CG 3.23Å; C192-H196 PolarHBondContact O-N 2.95Å; C192-H196 PolarHBondContact O-ND1 3.27Å; C192-H234 VanDerWaalsContact SG-CB 3.51Å; C192-L235 HydrophobicContact CB-CD2 4.21Å |
| 193 | Y | 78.7 | Confident | 61.1 | Low | 48 Ų | 48 | 59 Ų | 59 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -45.8 | 174.8 | 169.3 | -101.7 | 0 | 0 | 0 | 112.2 | E189 A190 V191 H196 Q197 R304 P305 | E189-Y193 WeakPolarHBondContact O-CB 3.43Å; E189-Y193 PolarHBondContact O-N 2.87Å; A190-Y193 WeakPolarHBondContact O-CB 3.49Å; A190-Y193 PolarHBondContact O-N 3.08Å; V191-Y193 VanDerWaalsContact C-N 3.31Å; V191-Y193 PolarHBondContact O-N 3.12Å; Y193-H196 CarbonylContact O-C 3.51Å; Y193-H196 PolarHBondContact O-N 2.84Å; Y193-Q197 HydrophobicContact CE2-CG 4.42Å; Y193-Q197 WeakPolarHBondContact O-CA 3.24Å; Y193-Q197 PolarHBondContact O-N 3.11Å; Y193-Q197 PolarHBondContact OH-NE2 2.56Å; Y193-Q197 VanDerWaalsContact OH-NE2 3.16Å; Y193-R304 HydrophobicContact CE1-CB 4.08Å; Y193-P305 HydrophobicContact CD1-CG 4.48Å; Y193-P305 WeakPolarHBondContact CE1-O 3.4Å |
| 194 | I | 80.1 | Confident | 59 | Low | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | -179.9 | -67.5 | 162.9 | 0 | 0 | 0 | 111 | V180 L182 L186 A190 V191 C192 H196 Q197 I217 Y297 P305 | V180-I194 HydrophobicContact CG1-CG2 3.87Å; L182-I194 HydrophobicContact CD2-CB 4.11Å; L182-I194 HydrophobicContact CD2-CD1 3.79Å; L182-I194 HydrophobicContact CD2-CG2 3.65Å; L186-I194 HydrophobicContact CD1-CD1 3.87Å; L186-I194 HydrophobicContact CD2-CD1 4.15Å; A190-I194 WeakPolarHBondContact O-CD1 3.4Å; A190-I194 VanDerWaalsContact O-CG1 3.22Å; A190-I194 WeakPolarHBondContact O-CG1 3.47Å; A190-I194 PolarHBondContact O-N 3.03Å; V191-I194 PolarHBondContact O-N 2.71Å; C192-I194 PolarHBondContact O-N 2.85Å; I194-H196 VanDerWaalsContact C-N 3.3Å; I194-H196 PolarHBondContact O-N 3.47Å; I194-Q197 PolarHBondContact O-N 3.45Å; I194-I217 HydrophobicContact CG2-CD1 4.27Å; I194-Y297 HydrophobicContact CB-CE1 4.48Å; I194-Y297 HydrophobicContact CB-CE2 4.39Å; I194-Y297 HydrophobicContact CD1-CD1 3.96Å; I194-Y297 HydrophobicContact CD1-CD2 4.01Å; I194-Y297 HydrophobicContact CD1-CG 3.62Å; I194-Y297 HydrophobicContact CG1-CD1 3.63Å; I194-Y297 HydrophobicContact CG1-CD2 4.05Å; I194-Y297 HydrophobicContact CG1-CE1 3.78Å; I194-Y297 HydrophobicContact CG1-CE2 4.21Å; I194-Y297 HydrophobicContact CG1-CG 3.75Å; I194-Y297 HydrophobicContact CG2-CD2 3.76Å; I194-Y297 HydrophobicContact CG2-CE1 4.28Å; I194-Y297 HydrophobicContact CG2-CE2 3.39Å; I194-Y297 HydrophobicContact CG2-CG 4.34Å; I194-P305 HydrophobicContact CD1-CB 4.48Å |
| 195 | I | 80.5 | Confident | 57.3 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 177.8 | -64.8 | 163.8 | 0 | 0 | 0 | 110.7 | V191 C192 I220 L231 L235 | V191-I195 HydrophobicContact CG1-CD1 3.68Å; V191-I195 HydrophobicContact CG1-CG1 4.5Å; V191-I195 WeakPolarHBondContact O-CD1 3.37Å; V191-I195 VanDerWaalsContact O-CG1 3.26Å; V191-I195 WeakPolarHBondContact O-CG1 3.29Å; V191-I195 PolarHBondContact O-N 2.9Å; C192-I195 PolarHBondContact O-N 2.86Å; I195-I220 HydrophobicContact CD1-CD1 3.32Å; I195-I220 HydrophobicContact CG1-CD1 3.65Å; I195-I220 HydrophobicContact CG2-CD1 4.47Å; I195-L231 HydrophobicContact CD1-CD1 3.56Å; I195-L231 HydrophobicContact CD1-CD2 4.36Å; I195-L235 HydrophobicContact CB-CD2 4.28Å; I195-L235 HydrophobicContact CD1-CD1 4.34Å; I195-L235 HydrophobicContact CD1-CD2 3.99Å; I195-L235 HydrophobicContact CG2-CD2 4.04Å |
| 196 | H | 76.4 | Confident | 55.8 | Low | 61 Ų | 61 | 73.4 Ų | 73.4 | 28% | 0.282 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7 | -177.5 | -67.4 | 148 | 0 | 0 | 0 | 114.4 | C192 Y193 I194 S198 T238 | C192-H196 WeakPolarHBondContact O-CB 3.45Å; C192-H196 VanDerWaalsContact O-CG 3.23Å; C192-H196 PolarHBondContact O-N 2.95Å; C192-H196 PolarHBondContact O-ND1 3.27Å; Y193-H196 CarbonylContact O-C 3.51Å; Y193-H196 PolarHBondContact O-N 2.84Å; I194-H196 VanDerWaalsContact C-N 3.3Å; I194-H196 PolarHBondContact O-N 3.47Å; H196-S198 PolarHBondContact O-N 3.47Å; H196-S198 PolarHBondContact O-OG 2.96Å; H196-T238 VanDerWaalsContact NE2-CG2 3.34Å; H196-T238 WeakPolarHBondContact NE2-CG2 3.5Å |
| 197 | Q | 65.5 | Low | 54.5 | Low | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.037 | 43% | 0.43 | C | S | . | . | trans | -65.3 | 73.5 | -172.5 | -158.6 | -175.4 | 12.6 | 0 | 0 | 111.8 | Y193 I194 Y297 K542 | Y193-Q197 HydrophobicContact CE2-CG 4.42Å; Y193-Q197 WeakPolarHBondContact O-CA 3.24Å; Y193-Q197 PolarHBondContact O-N 3.11Å; Y193-Q197 PolarHBondContact OH-NE2 2.56Å; Y193-Q197 VanDerWaalsContact OH-NE2 3.16Å; I194-Q197 PolarHBondContact O-N 3.45Å; Q197-Y297 PolarHBondContact OE1-OH 2.88Å; Q197-K542 PolarHBondContact O-NZ 3.49Å | ||
| 198 | S | 43.7 | Very low | 53 | Low | 54 Ų | 54 | 80.6 Ų | 80.6 | 38% | 0.378 | 45% | 0.446 | S | S | . | . | trans | -84.2 | 117.4 | 160.4 | 51.4 | 0 | 0 | 0 | 0 | 103.4 | H196 T200 | H196-S198 PolarHBondContact O-N 3.47Å; H196-S198 PolarHBondContact O-OG 2.96Å; S198-T200 PolarHBondContact O-N 3.01Å | ||
| 199 | L | 34.5 | Very low | 51.2 | Low | 85 Ų | 85 | 83.7 Ų | 83.7 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | trans | -65.3 | 93.8 | 162.2 | -90.8 | 165.8 | 0 | 0 | 0 | 106 | L201 K542 | L199-L201 HydrophobicContact CD2-CD1 4.13Å; L199-L201 PolarHBondContact O-N 3.33Å; L199-K542 HydrophobicContact CD1-CB 3.43Å; L199-K542 VanDerWaalsContact CD1-CB 3.43Å; L199-K542 HydrophobicContact CD1-CD 3.84Å; L199-K542 HydrophobicContact CD1-CG 3.62Å; L199-K542 HydrophobicContact CG-CB 3.8Å; L199-K542 HydrophobicContact CG-CD 3.95Å; L199-K542 HydrophobicContact CG-CG 4.18Å | ||
| 200 | T | 28.7 | Very low | 49.3 | Very low | 104 Ų | 104 | 79.6 Ų | 79.6 | 64% | 0.638 | 46% | 0.46 | S | S | * | . | trans | -73.4 | 73.2 | 154.2 | -39.4 | 0 | 0 | 0 | 0 | 106.4 | S198 F202 | S198-T200 PolarHBondContact O-N 3.01Å; T200-F202 VanDerWaalsContact C-N 3.3Å; T200-F202 HydrophobicContact CG2-CD2 4.1Å; T200-F202 HydrophobicContact CG2-CE2 4.04Å; T200-F202 PolarHBondContact O-N 3.34Å | ||
| 201 | L | 28.5 | Very low | 47.1 | Very low | 113 Ų | 113 | 85.8 Ų | 85.8 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | trans | -68.5 | 100 | 168.3 | -150.6 | 71.8 | 0 | 0 | 0 | 104.9 | L199 I203 | L199-L201 HydrophobicContact CD2-CD1 4.13Å; L199-L201 PolarHBondContact O-N 3.33Å; L201-I203 HydrophobicContact CB-CG1 4.2Å; L201-I203 HydrophobicContact CD2-CD1 3.24Å; L201-I203 HydrophobicContact CD2-CG1 3.36Å; L201-I203 HydrophobicContact CG-CD1 4.02Å; L201-I203 HydrophobicContact CG-CG1 3.52Å; L201-I203 PolarHBondContact O-N 2.6Å | ||
| 202 | F | 27.8 | Very low | 44.7 | Very low | 197 Ų | 197 | 95 Ų | 95 | 86% | 0.864 | 53% | 0.527 | S | S | * | . | trans | -64.6 | 63.6 | 161.1 | -88.7 | -91.4 | 0 | 0 | 0 | 107.9 | T200 S204 | T200-F202 VanDerWaalsContact C-N 3.3Å; T200-F202 HydrophobicContact CG2-CD2 4.1Å; T200-F202 HydrophobicContact CG2-CE2 4.04Å; T200-F202 PolarHBondContact O-N 3.34Å; F202-S204 VanDerWaalsContact C-N 3.34Å; F202-S204 PolarHBondContact O-N 2.83Å; F202-S204 VanDerWaalsContact O-N 3.08Å | ||
| 203 | I | 30 | Very low | 42.3 | Very low | 122 Ų | 122 | 101 Ų | 101 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | trans | -73 | 103.6 | 161.2 | -63.1 | -167.5 | 0 | 0 | 0 | 104.9 | L201 I205 | L201-I203 HydrophobicContact CB-CG1 4.2Å; L201-I203 HydrophobicContact CD2-CD1 3.24Å; L201-I203 HydrophobicContact CD2-CG1 3.36Å; L201-I203 HydrophobicContact CG-CD1 4.02Å; L201-I203 HydrophobicContact CG-CG1 3.52Å; L201-I203 PolarHBondContact O-N 2.6Å; I203-I205 PolarHBondContact O-N 3.08Å | ||
| 204 | S | 31.8 | Very low | 40.4 | Very low | 104 Ų | 104 | 101.6 Ų | 101.6 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | trans | -37.4 | 114.6 | 159.5 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | F202 Q206 | F202-S204 VanDerWaalsContact C-N 3.34Å; F202-S204 PolarHBondContact O-N 2.83Å; F202-S204 VanDerWaalsContact O-N 3.08Å; S204-Q206 PolarHBondContact O-N 2.85Å; S204-Q206 VanDerWaalsContact O-N 3.08Å | ||
| 205 | I | 30.8 | Very low | 38.8 | Very low | 161 Ų | 161 | 102.2 Ų | 102.2 | 83% | 0.826 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -29.9 | 107.1 | 174.8 | -58.6 | 163.3 | 0 | 0 | 0 | 111.6 | I203 | I203-I205 PolarHBondContact O-N 3.08Š|
| 206 | Q | 34.3 | Very low | 38.4 | Very low | 173 Ų | 173 | 104.3 Ų | 104.3 | 81% | 0.808 | 58% | 0.578 | S | S | * | * | trans | -161.5 | 111.2 | 149 | -116.1 | 159.9 | -15.2 | 0 | 0 | 110.8 | S204 | S204-Q206 PolarHBondContact O-N 2.85Å; S204-Q206 VanDerWaalsContact O-N 3.08Å | ||
| 207 | C | 34.9 | Very low | 38.8 | Very low | 134 Ų | 134 | 101.7 Ų | 101.7 | 91% | 0.905 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 66.5 | 104.2 | 167.6 | -66.1 | 0 | 0 | 0 | 0 | 117.9 | ||
| 208 | G | 33.9 | Very low | 40 | Very low | 71 Ų | 71 | 104.8 Ų | 104.8 | 73% | 0.732 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 110.3 | 127.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 209 | S | 33.5 | Very low | 42.4 | Very low | 117 Ų | 117 | 102.2 Ų | 102.2 | 82% | 0.818 | 56% | 0.563 | S | S | * | * | trans | -50 | 123 | 177.9 | -41 | 0 | 0 | 0 | 0 | 110.7 | L211 | S209-L211 PolarHBondContact O-N 2.76Å; S209-L211 VanDerWaalsContact O-N 3.12Å | ||
| 210 | P | 31.7 | Very low | 45.1 | Very low | 87 Ų | 87 | 98.1 Ų | 98.1 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | trans | -62.8 | 118.1 | 174.3 | -14.4 | 26.5 | 0 | 0 | 0 | 108.5 | Y212 | P210-Y212 HydrophobicContact CB-CD2 4.42Å; P210-Y212 HydrophobicContact CB-CE1 4.34Å; P210-Y212 HydrophobicContact CB-CE2 4Å; P210-Y212 HydrophobicContact CG-CE2 4.34Å; P210-Y212 WeakPolarHBondContact O-CD2 2.88Å; P210-Y212 WeakPolarHBondContact O-CE2 3.43Å; P210-Y212 PolarHBondContact O-N 2.82Å; P210-Y212 VanDerWaalsContact O-N 3.09Å | ||
| 211 | L | 26.7 | Very low | 48.2 | Very low | 145 Ų | 145 | 93.2 Ų | 93.2 | 76% | 0.759 | 51% | 0.511 | S | S | * | . | trans | -77.3 | 93.6 | 170.5 | -162.2 | 65.7 | 0 | 0 | 0 | 106.6 | S209 F213 | S209-L211 PolarHBondContact O-N 2.76Å; S209-L211 VanDerWaalsContact O-N 3.12Å; L211-F213 HydrophobicContact CD2-CD2 4.24Å; L211-F213 HydrophobicContact CD2-CE2 3.55Å; L211-F213 HydrophobicContact CD2-CZ 4.5Å; L211-F213 HydrophobicContact CG-CD2 4.1Å; L211-F213 HydrophobicContact CG-CE2 3.78Å; L211-F213 PolarHBondContact O-N 3.37Å; L211-F213 VanDerWaalsContact O-N 3.08Å | ||
| 212 | Y | 26.9 | Very low | 51.1 | Low | 194 Ų | 194 | 87.8 Ų | 87.8 | 76% | 0.761 | 48% | 0.483 | S | S | * | . | trans | -67.9 | 102.3 | 179.1 | -62.2 | -87.1 | 0 | 0 | 0 | 109.5 | P210 | P210-Y212 HydrophobicContact CB-CD2 4.42Å; P210-Y212 HydrophobicContact CB-CE1 4.34Å; P210-Y212 HydrophobicContact CB-CE2 4Å; P210-Y212 HydrophobicContact CG-CE2 4.34Å; P210-Y212 WeakPolarHBondContact O-CD2 2.88Å; P210-Y212 WeakPolarHBondContact O-CE2 3.43Å; P210-Y212 PolarHBondContact O-N 2.82Å; P210-Y212 VanDerWaalsContact O-N 3.09Å | ||
| 213 | F | 29.3 | Very low | 54 | Low | 140 Ų | 140 | 78.6 Ų | 78.6 | 61% | 0.614 | 44% | 0.442 | S | S | * | . | trans | -95.7 | 86 | 163.2 | -85.5 | -86.8 | 0 | 0 | 0 | 108.4 | L211 A215 K542 | L211-F213 HydrophobicContact CD2-CD2 4.24Å; L211-F213 HydrophobicContact CD2-CE2 3.55Å; L211-F213 HydrophobicContact CD2-CZ 4.5Å; L211-F213 HydrophobicContact CG-CD2 4.1Å; L211-F213 HydrophobicContact CG-CE2 3.78Å; L211-F213 PolarHBondContact O-N 3.37Å; L211-F213 VanDerWaalsContact O-N 3.08Å; F213-A215 PolarHBondContact O-N 3.28Å; F213-K542 PolarHBondContact O-NZ 3.38Å | ||
| 214 | S | 38.7 | Very low | 56.8 | Low | 59 Ų | 59 | 74.4 Ų | 74.4 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | trans | -82.7 | 87.8 | 170.1 | 71.7 | 0 | 0 | 0 | 0 | 108.7 | E216 | S214-E216 VanDerWaalsContact CB-OE1 3.29Å; S214-E216 WeakPolarHBondContact CB-OE1 3.19Å; S214-E216 WeakPolarHBondContact CB-OE2 3.28Å; S214-E216 PolarHBondContact O-N 3.19Å; S214-E216 PolarHBondContact OG-OE1 3.17Å; S214-E216 PolarHBondContact OG-OE2 2.95Å | ||
| 215 | A | 46.3 | Very low | 59.7 | Low | 18 Ų | 18 | 70.9 Ų | 70.9 | 15% | 0.149 | 40% | 0.397 | C | S | . | . | trans | -66.4 | 93 | 159 | 0 | 0 | 0 | 0 | 0 | 108 | F144 F213 Y541 | F144-A215 HydrophobicContact CD2-CB 3.61Å; F144-A215 HydrophobicContact CE2-CB 3.52Å; F144-A215 HydrophobicContact CZ-CB 4.35Å; F213-A215 PolarHBondContact O-N 3.28Å; A215-Y541 HydrophobicContact CB-CE1 4.39Å; A215-Y541 WeakPolarHBondContact CB-OH 3.34Å | ||
| 216 | E | 72.2 | Confident | 62.5 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | trans | -109.2 | 125.1 | -177.7 | -78.1 | 167.1 | 163.4 | 0 | 0 | 106.9 | S214 Q218 N240 | S214-E216 VanDerWaalsContact CB-OE1 3.29Å; S214-E216 WeakPolarHBondContact CB-OE1 3.19Å; S214-E216 WeakPolarHBondContact CB-OE2 3.28Å; S214-E216 PolarHBondContact O-N 3.19Å; S214-E216 PolarHBondContact OG-OE1 3.17Å; S214-E216 PolarHBondContact OG-OE2 2.95Å; E216-Q218 PolarHBondContact O-N 2.96Å; E216-N240 HydrophobicContact CB-CB 3.96Å; E216-N240 HydrophobicContact CG-CB 4.21Å; E216-N240 VanDerWaalsContact CG-ND2 3.27Å; E216-N240 WeakPolarHBondContact CG-ND2 3.42Å; E216-N240 PolarHBondContact OE1-ND2 2.99Å; E216-N240 PolarHBondContact OE1-OD1 2.88Å; E216-N240 PolarHBondContact OE2-OD1 2.61Å; E216-N240 VanDerWaalsContact OE2-OD1 3.09Å | ||
| 217 | I | 85.8 | Confident | 65.1 | Low | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | trans | -65.6 | 103.1 | 177.5 | -62.1 | 179.5 | 0 | 0 | 0 | 107.5 | F144 V180 I194 L219 I220 | F144-I217 HydrophobicContact CB-CG1 4.21Å; V180-I217 HydrophobicContact CB-CD1 3.98Å; V180-I217 HydrophobicContact CG1-CD1 3.98Å; V180-I217 HydrophobicContact CG2-CD1 4.17Å; I194-I217 HydrophobicContact CG2-CD1 4.27Å; I217-L219 WeakPolarHBondContact CG2-O 3.34Å; I217-I220 HydrophobicContact CG2-CD1 4.33Å; I217-I220 HydrophobicContact CG2-CG1 3.6Å | ||
| 218 | Q | 89.7 | Confident | 67.8 | Low | 72 Ų | 72 | 57 Ų | 57 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | trans | -81.3 | -21.6 | -179.9 | -63.3 | -172 | 10.6 | 0 | 0 | 112.8 | I137 E216 N240 R242 F243 | I137-Q218 HydrophobicContact CD1-CB 3.95Å; E216-Q218 PolarHBondContact O-N 2.96Å; Q218-N240 WeakPolarHBondContact CA-O 3.39Å; Q218-R242 PolarHBondContact O-N 3.46Å; Q218-F243 PolarHBondContact O-N 2.81Å | ||
| 219 | L | 93.8 | Very high | 70.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.9 | -176.6 | -172.8 | 152.3 | 0 | 0 | 0 | 110.4 | F132 L135 I137 I145 G146 I217 I221 F243 I245 | F132-L219 HydrophobicContact CD1-CD1 3.87Å; F132-L219 HydrophobicContact CE1-CD1 4.19Å; F132-L219 HydrophobicContact CE1-CD2 4.19Å; L135-L219 HydrophobicContact CD1-CD1 3.96Å; I137-L219 HydrophobicContact CD1-CB 4.26Å; I137-L219 HydrophobicContact CG1-CD1 4.13Å; I145-L219 HydrophobicContact CD1-CB 4Å; I145-L219 HydrophobicContact CD1-CD2 4.43Å; I145-L219 HydrophobicContact CG2-CD2 3.7Å; G146-L219 PolarHBondContact N-O 2.91Å; I217-L219 WeakPolarHBondContact CG2-O 3.34Å; L219-I221 HydrophobicContact CD2-CD1 4.33Å; L219-I221 HydrophobicContact CD2-CG1 3.69Å; L219-F243 WeakPolarHBondContact CA-O 3.34Å; L219-F243 HydrophobicContact CB-CB 4.38Å; L219-F243 HydrophobicContact CD1-CB 4.1Å; L219-F243 HydrophobicContact CG-CB 4.06Å; L219-I245 HydrophobicContact CD1-CD1 3.97Å; L219-I245 HydrophobicContact CD1-CG1 4.45Å; L219-I245 HydrophobicContact CD2-CD1 4.16Å; L219-I245 HydrophobicContact CD2-CG1 4.49Å; L219-I245 HydrophobicContact CG-CD1 4.44Å |
| 220 | I | 92.9 | Very high | 73.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.7 | 171.3 | -63.3 | 168.7 | 0 | 0 | 0 | 109.6 | G146 I195 I217 C222 L231 L241 F243 V244 I245 | G146-I220 CarbonylContact O-C 3.56Å; G146-I220 WeakPolarHBondContact O-CA 3.4Å; I195-I220 HydrophobicContact CD1-CD1 3.32Å; I195-I220 HydrophobicContact CG1-CD1 3.65Å; I195-I220 HydrophobicContact CG2-CD1 4.47Å; I217-I220 HydrophobicContact CG2-CD1 4.33Å; I217-I220 HydrophobicContact CG2-CG1 3.6Å; I220-C222 VanDerWaalsContact CG2-SG 3.55Å; I220-L231 HydrophobicContact CD1-CD2 3.88Å; I220-L241 HydrophobicContact CB-CD1 4.23Å; I220-L241 HydrophobicContact CD1-CD1 3.68Å; I220-L241 HydrophobicContact CD1-CD2 3.88Å; I220-L241 HydrophobicContact CD1-CG 4.45Å; I220-L241 HydrophobicContact CG1-CD1 3.67Å; I220-F243 PolarHBondContact N-O 3.36Å; I220-F243 VanDerWaalsContact N-O 3.09Å; I220-V244 HydrophobicContact CB-CG2 4.36Å; I220-V244 CarbonylContact O-C 3.58Å; I220-V244 VanDerWaalsContact O-CA 3.31Å; I220-V244 WeakPolarHBondContact O-CA 3.41Å; I220-I245 PolarHBondContact O-N 3.27Å |
| 221 | I | 93.2 | Very high | 75.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 112.6 | 169.6 | -52.1 | 172.5 | 0 | 0 | 0 | 107.7 | L128 F132 I145 G146 Y148 L219 I245 M247 F268 | L128-I221 HydrophobicContact CD2-CD1 4.35Å; F132-I221 HydrophobicContact CE1-CD1 4.33Å; F132-I221 HydrophobicContact CZ-CD1 3.91Å; I145-I221 HydrophobicContact CG2-CD1 4.3Å; G146-I221 PolarHBondContact O-N 2.93Å; Y148-I221 PolarHBondContact N-O 3.46Å; L219-I221 HydrophobicContact CD2-CD1 4.33Å; L219-I221 HydrophobicContact CD2-CG1 3.69Å; I221-I245 CarbonylContact C-O 3.5Å; I221-I245 VanDerWaalsContact CA-O 3.28Å; I221-I245 WeakPolarHBondContact CA-O 3.26Å; I221-I245 HydrophobicContact CG1-CB 4.3Å; I221-M247 HydrophobicContact CG2-CE 3.66Å; I221-M247 HydrophobicContact CG2-CG 4.29Å; I221-F268 HydrophobicContact CG2-CD2 3.91Å; I221-F268 HydrophobicContact CG2-CE2 4.08Å |
| 222 | C | 90.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 150.5 | -179.8 | -78.1 | 0 | 0 | 0 | 0 | 110.8 | Y148 I220 V244 I245 I246 M247 | Y148-C222 WeakPolarHBondContact O-CA 3.08Å; I220-C222 VanDerWaalsContact CG2-SG 3.55Å; C222-V244 HydrophobicContact CB-CG1 4.27Å; C222-I245 PolarHBondContact N-O 3.45Å; C222-I246 CarbonylContact O-C 3.53Å; C222-I246 VanDerWaalsContact O-CA 3.32Å; C222-I246 WeakPolarHBondContact O-CA 3.45Å; C222-M247 PolarHBondContact O-N 2.82Å |
| 223 | D | 86.8 | Confident | 81.4 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -81 | -30 | -178.9 | 67 | 0.7 | 0 | 0 | 0 | 115.1 | Y148 S149 R150 R152 K227 M247 D248 | Y148-D223 PolarHBondContact O-N 3.46Å; S149-D223 WeakPolarHBondContact OG-CB 3.43Å; R150-D223 WeakPolarHBondContact CG-OD2 3.29Å; R150-D223 PolarHBondContact N-OD2 2.93Å; R150-D223 VanDerWaalsContact N-OD2 3.15Å; R152-D223 PolarHBondContact NH1-O 3.21Å; D223-K227 VanDerWaalsContact OD1-CD 3.29Å; D223-K227 WeakPolarHBondContact OD1-CD 3.25Å; D223-K227 WeakPolarHBondContact OD1-CE 3.35Å; D223-K227 IonicContact OD1-NZ 2.93Å; D223-K227 PolarHBondContact OD1-NZ 2.94Å; D223-K227 IonicContact OD2-NZ 2.75Å; D223-K227 PolarHBondContact OD2-NZ 3.07Å; D223-M247 HydrophobicContact CB-SD 4.2Å; D223-D248 WeakPolarHBondContact O-CB 3.32Å; D223-D248 VanDerWaalsContact O-CG 3.27Å; D223-D248 PolarHBondContact O-N 2.89Å; D223-D248 VanDerWaalsContact O-OD2 3.1Å |
| 224 | T | 89.6 | Confident | 83.9 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 21% | 0.209 | 18% | 0.179 | C | C | . | . | trans | -138.8 | 146 | -169.8 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | K226 K227 A228 D248 | T224-K226 PolarHBondContact O-N 3.2Å; T224-K227 PolarHBondContact O-N 3.5Å; T224-K227 VanDerWaalsContact O-N 3.13Å; T224-K227 WeakPolarHBondContact OG1-CB 3.44Å; T224-K227 PolarHBondContact OG1-N 2.78Å; T224-A228 PolarHBondContact O-N 2.83Å; T224-A228 VanDerWaalsContact O-N 3.08Å; T224-D248 WeakPolarHBondContact CG2-OD2 3.42Å | ||
| 225 | P | 92.2 | Very high | 85.7 | Confident | 30 Ų | 30 | 34 Ų | 34 | 20% | 0.195 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.6 | -34.8 | 171.1 | -27.3 | 33.2 | 0 | 0 | 0 | 113.7 | A228 T229 I246 P249 V254 | P225-A228 PolarHBondContact O-N 2.97Å; P225-T229 VanDerWaalsContact O-CB 3.27Å; P225-T229 WeakPolarHBondContact O-CB 3.24Å; P225-T229 PolarHBondContact O-N 2.82Å; P225-T229 PolarHBondContact O-OG1 3.45Å; P225-I246 HydrophobicContact CG-CG2 4.23Å; P225-P249 WeakPolarHBondContact CG-O 3.48Å; P225-V254 HydrophobicContact CB-CB 4.26Å; P225-V254 HydrophobicContact CB-CG1 4.2Å; P225-V254 HydrophobicContact CB-CG2 4.26Å |
| 226 | K | 91 | Very high | 86.7 | Confident | 160 Ų | 160 | 34.6 Ų | 34.6 | 70% | 0.696 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -63.1 | -43.5 | 176.9 | -176.1 | 179.6 | 178.3 | -177.4 | 0 | 111.6 | T224 T229 N230 | T224-K226 PolarHBondContact O-N 3.2Å; K226-T229 PolarHBondContact O-N 3.45Å; K226-N230 WeakPolarHBondContact O-CB 3.48Å; K226-N230 PolarHBondContact O-N 2.96Å; K226-N230 PolarHBondContact O-ND2 3.42Å |
| 227 | K | 87.8 | Confident | 86.2 | Confident | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -44.4 | 177.6 | -177.1 | -179.5 | -76.5 | 176.1 | 0 | 111.2 | Y148 D184 D223 T224 T229 N230 L231 | Y148-K227 HydrophobicContact CD1-CD 3.57Å; Y148-K227 HydrophobicContact CD1-CG 3.68Å; Y148-K227 HydrophobicContact CD2-CD 3.76Å; Y148-K227 HydrophobicContact CE1-CD 3.61Å; Y148-K227 HydrophobicContact CE1-CG 3.4Å; Y148-K227 HydrophobicContact CE2-CD 3.81Å; Y148-K227 HydrophobicContact CE2-CG 4.41Å; Y148-K227 HydrophobicContact CG-CD 3.65Å; Y148-K227 HydrophobicContact CG-CG 4.28Å; Y148-K227 VanDerWaalsContact O-CD 3.26Å; Y148-K227 WeakPolarHBondContact O-CD 3.26Å; Y148-K227 PolarHBondContact O-NZ 2.89Å; D184-K227 WeakPolarHBondContact OD1-CE 3.38Å; D184-K227 IonicContact OD1-NZ 3.4Å; D184-K227 PolarHBondContact OD1-NZ 2.85Å; D184-K227 IonicContact OD2-NZ 2.77Å; D223-K227 VanDerWaalsContact OD1-CD 3.29Å; D223-K227 WeakPolarHBondContact OD1-CD 3.25Å; D223-K227 WeakPolarHBondContact OD1-CE 3.35Å; D223-K227 IonicContact OD1-NZ 2.93Å; D223-K227 PolarHBondContact OD1-NZ 2.94Å; D223-K227 IonicContact OD2-NZ 2.75Å; D223-K227 PolarHBondContact OD2-NZ 3.07Å; T224-K227 PolarHBondContact O-N 3.5Å; T224-K227 VanDerWaalsContact O-N 3.13Å; T224-K227 WeakPolarHBondContact OG1-CB 3.44Å; T224-K227 PolarHBondContact OG1-N 2.78Å; K227-T229 PolarHBondContact O-N 3.49Å; K227-N230 PolarHBondContact O-N 2.89Å; K227-L231 WeakPolarHBondContact O-CB 3.31Å; K227-L231 PolarHBondContact O-N 2.8Å |
| 228 | A | 90.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T224 P225 N230 L231 F232 V244 I246 V254 | T224-A228 PolarHBondContact O-N 2.83Å; T224-A228 VanDerWaalsContact O-N 3.08Å; P225-A228 PolarHBondContact O-N 2.97Å; A228-N230 VanDerWaalsContact C-N 3.31Å; A228-N230 PolarHBondContact O-N 3.45Å; A228-L231 WeakPolarHBondContact O-CA 3.18Å; A228-L231 WeakPolarHBondContact O-CB 3.05Å; A228-L231 PolarHBondContact O-N 2.75Å; A228-L231 VanDerWaalsContact O-N 3.08Å; A228-F232 HydrophobicContact CB-CE2 4.06Å; A228-F232 HydrophobicContact CB-CZ 3.89Å; A228-F232 WeakPolarHBondContact O-CD1 3.37Å; A228-F232 VanDerWaalsContact O-CD2 3.3Å; A228-F232 WeakPolarHBondContact O-CD2 3.46Å; A228-F232 WeakPolarHBondContact O-CG 3.46Å; A228-F232 PolarHBondContact O-N 3.21Å; A228-V244 HydrophobicContact CB-CG1 4.17Å; A228-I246 HydrophobicContact CB-CD1 3.44Å; A228-I246 VanDerWaalsContact CB-CD1 3.44Å; A228-I246 HydrophobicContact CB-CG1 4.14Å; A228-V254 HydrophobicContact CB-CG2 4.22Å |
| 229 | T | 91.3 | Very high | 84.1 | Confident | 33 Ų | 33 | 44.2 Ų | 44.2 | 20% | 0.202 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 175.6 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | P225 K226 K227 R233 H257 | P225-T229 VanDerWaalsContact O-CB 3.27Å; P225-T229 WeakPolarHBondContact O-CB 3.24Å; P225-T229 PolarHBondContact O-N 2.82Å; P225-T229 PolarHBondContact O-OG1 3.45Å; K226-T229 PolarHBondContact O-N 3.45Å; K227-T229 PolarHBondContact O-N 3.49Å; T229-R233 PolarHBondContact O-N 2.87Å; T229-H257 PolarHBondContact O-CE1 3.44Å |
| 230 | N | 87.5 | Confident | 83.3 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 174.5 | -78.7 | -20.7 | 0 | 0 | 0 | 111.6 | K226 K227 A228 R233 H234 | K226-N230 WeakPolarHBondContact O-CB 3.48Å; K226-N230 PolarHBondContact O-N 2.96Å; K226-N230 PolarHBondContact O-ND2 3.42Å; K227-N230 PolarHBondContact O-N 2.89Å; A228-N230 VanDerWaalsContact C-N 3.31Å; A228-N230 PolarHBondContact O-N 3.45Å; N230-R233 PolarHBondContact O-N 3Å; N230-R233 PolarHBondContact OD1-NH1 3.04Å; N230-H234 PolarHBondContact O-N 3.41Å; N230-H234 PolarHBondContact O-ND1 3.29Å |
| 231 | L | 86.1 | Confident | 83.1 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 176.3 | 178.7 | 64.9 | 0 | 0 | 0 | 111.3 | V191 I195 I220 K227 A228 R233 H234 L235 L241 | V191-L231 HydrophobicContact CG1-CD1 3.73Å; I195-L231 HydrophobicContact CD1-CD1 3.56Å; I195-L231 HydrophobicContact CD1-CD2 4.36Å; I220-L231 HydrophobicContact CD1-CD2 3.88Å; K227-L231 WeakPolarHBondContact O-CB 3.31Å; K227-L231 PolarHBondContact O-N 2.8Å; A228-L231 WeakPolarHBondContact O-CA 3.18Å; A228-L231 WeakPolarHBondContact O-CB 3.05Å; A228-L231 PolarHBondContact O-N 2.75Å; A228-L231 VanDerWaalsContact O-N 3.08Å; L231-R233 VanDerWaalsContact C-N 3.27Å; L231-R233 PolarHBondContact O-N 3.41Å; L231-H234 PolarHBondContact O-N 2.86Å; L231-H234 VanDerWaalsContact O-N 3.07Å; L231-L235 HydrophobicContact CD1-CD1 3.68Å; L231-L235 HydrophobicContact CD1-CD2 4.32Å; L231-L235 HydrophobicContact CD1-CG 3.74Å; L231-L235 HydrophobicContact CD2-CD1 4.05Å; L231-L235 HydrophobicContact CG-CD1 3.53Å; L231-L235 HydrophobicContact CG-CG 4.03Å; L231-L235 WeakPolarHBondContact O-CB 3.41Å; L231-L235 WeakPolarHBondContact O-CG 3.27Å; L231-L235 PolarHBondContact O-N 3.09Å; L231-L241 HydrophobicContact CD2-CD2 4.27Å |
| 232 | F | 88.8 | Confident | 83 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.8 | -39.7 | 179 | -57.3 | -24.3 | 0 | 0 | 0 | 112.7 | A228 H234 G236 V244 V254 H257 I261 V263 V265 | A228-F232 HydrophobicContact CB-CE2 4.06Å; A228-F232 HydrophobicContact CB-CZ 3.89Å; A228-F232 WeakPolarHBondContact O-CD1 3.37Å; A228-F232 VanDerWaalsContact O-CD2 3.3Å; A228-F232 WeakPolarHBondContact O-CD2 3.46Å; A228-F232 WeakPolarHBondContact O-CG 3.46Å; A228-F232 PolarHBondContact O-N 3.21Å; F232-H234 VanDerWaalsContact C-N 3.3Å; F232-H234 PolarHBondContact O-N 3.14Å; F232-G236 PolarHBondContact O-N 2.58Å; F232-V244 HydrophobicContact CE1-CB 4.24Å; F232-V244 HydrophobicContact CE1-CG2 3.85Å; F232-V244 HydrophobicContact CZ-CB 4.22Å; F232-V244 HydrophobicContact CZ-CG1 4.33Å; F232-V244 HydrophobicContact CZ-CG2 4.33Å; F232-V254 HydrophobicContact CE2-CG2 3.94Å; F232-H257 HydrophobicContact CD2-CB 4.31Å; F232-H257 AromaticContact CD2-CG 3.97Å; F232-H257 AromaticContact CD2-ND1 3.88Å; F232-I261 HydrophobicContact CB-CD1 3.59Å; F232-I261 HydrophobicContact CB-CG1 4.43Å; F232-I261 HydrophobicContact CD1-CD1 3.63Å; F232-I261 HydrophobicContact CG-CD1 3.81Å; F232-V263 HydrophobicContact CE1-CB 4.39Å; F232-V263 HydrophobicContact CE1-CG1 3.97Å; F232-V263 HydrophobicContact CZ-CG1 4.4Å; F232-V265 HydrophobicContact CE2-CG2 4Å; F232-V265 HydrophobicContact CZ-CG2 3.73Å |
| 233 | R | 86.3 | Confident | 83.2 | Confident | 146 Ų | 146 | 51.2 Ų | 51.2 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.9 | -33.3 | 178.2 | -166 | -175.8 | -56.5 | 109.1 | 5.1 | 113.5 | T229 N230 L231 | T229-R233 PolarHBondContact O-N 2.87Å; N230-R233 PolarHBondContact O-N 3Å; N230-R233 PolarHBondContact OD1-NH1 3.04Å; L231-R233 VanDerWaalsContact C-N 3.27Å; L231-R233 PolarHBondContact O-N 3.41Å |
| 234 | H | 81 | Confident | 83.6 | Confident | 83 Ų | 83 | 51.1 Ų | 51.1 | 38% | 0.384 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -95.5 | -30.2 | -176.2 | -63.9 | 81.5 | 0 | 0 | 0 | 112.8 | N188 C192 N230 L231 F232 | N188-H234 HydrophobicContact CB-CB 4.26Å; N188-H234 VanDerWaalsContact CG-CE1 3.5Å; N188-H234 PolarHBondContact ND2-CE1 3.02Å; N188-H234 PolarHBondContact ND2-NE2 3.44Å; N188-H234 VanDerWaalsContact ND2-NE2 3.19Å; C192-H234 VanDerWaalsContact SG-CB 3.51Å; N230-H234 PolarHBondContact O-N 3.41Å; N230-H234 PolarHBondContact O-ND1 3.29Å; L231-H234 PolarHBondContact O-N 2.86Å; L231-H234 VanDerWaalsContact O-N 3.07Å; F232-H234 VanDerWaalsContact C-N 3.3Å; F232-H234 PolarHBondContact O-N 3.14Å |
| 235 | L | 77.1 | Confident | 83.8 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 176.5 | -78.2 | 179 | 0 | 0 | 0 | 112.3 | C192 I195 L231 T238 L241 | C192-L235 HydrophobicContact CB-CD2 4.21Å; I195-L235 HydrophobicContact CB-CD2 4.28Å; I195-L235 HydrophobicContact CD1-CD1 4.34Å; I195-L235 HydrophobicContact CD1-CD2 3.99Å; I195-L235 HydrophobicContact CG2-CD2 4.04Å; L231-L235 HydrophobicContact CD1-CD1 3.68Å; L231-L235 HydrophobicContact CD1-CD2 4.32Å; L231-L235 HydrophobicContact CD1-CG 3.74Å; L231-L235 HydrophobicContact CD2-CD1 4.05Å; L231-L235 HydrophobicContact CG-CD1 3.53Å; L231-L235 HydrophobicContact CG-CG 4.03Å; L231-L235 WeakPolarHBondContact O-CB 3.41Å; L231-L235 WeakPolarHBondContact O-CG 3.27Å; L231-L235 PolarHBondContact O-N 3.09Å; L235-T238 HydrophobicContact CB-CG2 3.69Å; L235-T238 HydrophobicContact CD2-CG2 4.26Å; L235-T238 HydrophobicContact CG-CG2 4.39Å; L235-T238 WeakPolarHBondContact O-CG2 3.29Å; L235-L241 HydrophobicContact CD1-CD2 3.38Å |
| 236 | G | 66.3 | Low | 83.9 | Confident | 31 Ų | 31 | 48 Ų | 48 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | trans | 69.8 | -159.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F232 T238 | F232-G236 PolarHBondContact O-N 2.58Å; G236-T238 PolarHBondContact O-N 2.72Å | ||
| 237 | S | 62.5 | Low | 83.8 | Confident | 114 Ų | 114 | 40.4 Ų | 40.4 | 80% | 0.797 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -75 | 109.4 | 172.7 | -175 | 0 | 0 | 0 | 0 | 108.8 | ||
| 238 | T | 64.1 | Low | 83.8 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | trans | -112.4 | 137.1 | 179.7 | 81.1 | 0 | 0 | 0 | 0 | 109.9 | H196 L235 G236 N240 L241 | H196-T238 VanDerWaalsContact NE2-CG2 3.34Å; H196-T238 WeakPolarHBondContact NE2-CG2 3.5Å; L235-T238 HydrophobicContact CB-CG2 3.69Å; L235-T238 HydrophobicContact CD2-CG2 4.26Å; L235-T238 HydrophobicContact CG-CG2 4.39Å; L235-T238 WeakPolarHBondContact O-CG2 3.29Å; G236-T238 PolarHBondContact O-N 2.72Å; T238-N240 PolarHBondContact O-N 2.77Å; T238-L241 PolarHBondContact OG1-N 3.37Å | ||
| 239 | E | 66.9 | Low | 83.8 | Confident | 193 Ų | 193 | 44.5 Ų | 44.5 | 90% | 0.902 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -75.3 | -14.8 | 172.7 | -65 | -172.9 | 167.3 | 0 | 0 | 112.5 | ||
| 240 | N | 76.7 | Confident | 83.8 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.16 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -95.1 | -52.8 | -163.6 | -65.7 | -4 | 0 | 0 | 0 | 113.8 | E216 Q218 T238 R242 | E216-N240 HydrophobicContact CB-CB 3.96Å; E216-N240 HydrophobicContact CG-CB 4.21Å; E216-N240 VanDerWaalsContact CG-ND2 3.27Å; E216-N240 WeakPolarHBondContact CG-ND2 3.42Å; E216-N240 PolarHBondContact OE1-ND2 2.99Å; E216-N240 PolarHBondContact OE1-OD1 2.88Å; E216-N240 PolarHBondContact OE2-OD1 2.61Å; E216-N240 VanDerWaalsContact OE2-OD1 3.09Å; Q218-N240 WeakPolarHBondContact CA-O 3.39Å; T238-N240 PolarHBondContact O-N 2.77Å; N240-R242 PolarHBondContact O-N 3.16Å |
| 241 | L | 88.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -76.5 | 110.7 | -179.3 | -177.6 | 64.9 | 0 | 0 | 0 | 108.7 | I220 L231 L235 T238 F243 V244 V263 | I220-L241 HydrophobicContact CB-CD1 4.23Å; I220-L241 HydrophobicContact CD1-CD1 3.68Å; I220-L241 HydrophobicContact CD1-CD2 3.88Å; I220-L241 HydrophobicContact CD1-CG 4.45Å; I220-L241 HydrophobicContact CG1-CD1 3.67Å; L231-L241 HydrophobicContact CD2-CD2 4.27Å; L235-L241 HydrophobicContact CD1-CD2 3.38Å; T238-L241 PolarHBondContact OG1-N 3.37Å; L241-F243 WeakPolarHBondContact CD1-O 3.44Å; L241-V244 HydrophobicContact CD1-CG2 4.36Å; L241-V244 HydrophobicContact CD2-CG2 3.81Å; L241-V244 HydrophobicContact CG-CG2 4.28Å; L241-V263 HydrophobicContact CD2-CG2 4.28Å; L241-V263 HydrophobicContact CG-CG2 4.27Å; L241-V263 WeakPolarHBondContact O-CG2 3.29Å | ||
| 242 | R | 91.6 | Very high | 84.5 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | trans | -97.3 | -34.4 | -176.9 | -66.4 | 168.7 | 63 | -154.4 | -1.5 | 112 | Q218 N240 K264 | Q218-R242 PolarHBondContact O-N 3.46Å; N240-R242 PolarHBondContact O-N 3.16Å; R242-K264 PolarHBondContact O-N 3.14Å | ||
| 243 | F | 94.9 | Very high | 84.8 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 138.2 | -172 | -53.3 | -78.6 | 0 | 0 | 0 | 112 | L135 I137 Q218 L219 I220 L241 K264 L266 | L135-F243 HydrophobicContact CB-CD2 4.5Å; L135-F243 HydrophobicContact CB-CE1 4.29Å; L135-F243 HydrophobicContact CB-CE2 4.11Å; L135-F243 HydrophobicContact CB-CZ 4Å; L135-F243 HydrophobicContact CD1-CD1 4.23Å; L135-F243 HydrophobicContact CD1-CG 4.24Å; L135-F243 HydrophobicContact CD2-CD1 4.22Å; L135-F243 HydrophobicContact CD2-CE1 3.98Å; L135-F243 HydrophobicContact CD2-CZ 4.49Å; L135-F243 WeakPolarHBondContact O-CZ 3.43Å; I137-F243 HydrophobicContact CD1-CD2 3.95Å; I137-F243 HydrophobicContact CD1-CE2 4.03Å; Q218-F243 PolarHBondContact O-N 2.81Å; L219-F243 WeakPolarHBondContact CA-O 3.34Å; L219-F243 HydrophobicContact CB-CB 4.38Å; L219-F243 HydrophobicContact CD1-CB 4.1Å; L219-F243 HydrophobicContact CG-CB 4.06Å; I220-F243 PolarHBondContact N-O 3.36Å; I220-F243 VanDerWaalsContact N-O 3.09Å; L241-F243 WeakPolarHBondContact CD1-O 3.44Å; F243-K264 WeakPolarHBondContact CA-O 3.34Å; F243-K264 HydrophobicContact CD1-CB 3.85Å; F243-K264 HydrophobicContact CD1-CD 4.1Å; F243-K264 HydrophobicContact CD1-CG 4.43Å; F243-K264 HydrophobicContact CE1-CB 4.19Å; F243-K264 HydrophobicContact CE1-CD 3.94Å; F243-L266 HydrophobicContact CD1-CD1 4.15Å |
| 244 | V | 94.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.2 | 163.7 | 171.4 | 0 | 0 | 0 | 0 | 109 | I220 C222 A228 F232 L241 I246 V263 K264 V265 L266 | I220-V244 HydrophobicContact CB-CG2 4.36Å; I220-V244 CarbonylContact O-C 3.58Å; I220-V244 VanDerWaalsContact O-CA 3.31Å; I220-V244 WeakPolarHBondContact O-CA 3.41Å; C222-V244 HydrophobicContact CB-CG1 4.27Å; A228-V244 HydrophobicContact CB-CG1 4.17Å; F232-V244 HydrophobicContact CE1-CB 4.24Å; F232-V244 HydrophobicContact CE1-CG2 3.85Å; F232-V244 HydrophobicContact CZ-CB 4.22Å; F232-V244 HydrophobicContact CZ-CG1 4.33Å; F232-V244 HydrophobicContact CZ-CG2 4.33Å; L241-V244 HydrophobicContact CD1-CG2 4.36Å; L241-V244 HydrophobicContact CD2-CG2 3.81Å; L241-V244 HydrophobicContact CG-CG2 4.28Å; V244-I246 HydrophobicContact CG1-CD1 4.37Å; V244-I246 HydrophobicContact CG1-CG1 3.82Å; V244-V263 HydrophobicContact CB-CG1 4.03Å; V244-V263 HydrophobicContact CG2-CG1 3.7Å; V244-K264 PolarHBondContact N-O 3.23Å; V244-V265 CarbonylContact O-C 3.57Å; V244-V265 WeakPolarHBondContact O-CA 3.43Å; V244-L266 PolarHBondContact O-N 2.87Å |
| 245 | I | 95.1 | Very high | 86 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.8 | 171.2 | -59.5 | 179 | 0 | 0 | 0 | 107 | L128 F132 L219 I220 I221 C222 L266 F268 C271 | L128-I245 HydrophobicContact CD1-CD1 4.34Å; F132-I245 HydrophobicContact CD1-CD1 4.32Å; F132-I245 HydrophobicContact CE1-CD1 3.84Å; L219-I245 HydrophobicContact CD1-CD1 3.97Å; L219-I245 HydrophobicContact CD1-CG1 4.45Å; L219-I245 HydrophobicContact CD2-CD1 4.16Å; L219-I245 HydrophobicContact CD2-CG1 4.49Å; L219-I245 HydrophobicContact CG-CD1 4.44Å; I220-I245 PolarHBondContact O-N 3.27Å; I221-I245 CarbonylContact C-O 3.5Å; I221-I245 VanDerWaalsContact CA-O 3.28Å; I221-I245 WeakPolarHBondContact CA-O 3.26Å; I221-I245 HydrophobicContact CG1-CB 4.3Å; C222-I245 PolarHBondContact N-O 3.45Å; I245-L266 CarbonylContact C-O 3.56Å; I245-L266 WeakPolarHBondContact CA-O 3.41Å; I245-L266 HydrophobicContact CG1-CB 4.17Å; I245-L266 HydrophobicContact CG1-CD1 4.31Å; I245-F268 HydrophobicContact CG2-CB 3.84Å; I245-F268 HydrophobicContact CG2-CD2 3.81Å; I245-F268 HydrophobicContact CG2-CG 4.26Å; I245-C271 HydrophobicContact CD1-CB 4.46Å |
| 246 | I | 93.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.4 | 179.8 | -53.7 | -176.8 | 0 | 0 | 0 | 108.7 | C222 P225 A228 V244 D248 I250 V254 V265 L266 F268 | C222-I246 CarbonylContact O-C 3.53Å; C222-I246 VanDerWaalsContact O-CA 3.32Å; C222-I246 WeakPolarHBondContact O-CA 3.45Å; P225-I246 HydrophobicContact CG-CG2 4.23Å; A228-I246 HydrophobicContact CB-CD1 3.44Å; A228-I246 VanDerWaalsContact CB-CD1 3.44Å; A228-I246 HydrophobicContact CB-CG1 4.14Å; V244-I246 HydrophobicContact CG1-CD1 4.37Å; V244-I246 HydrophobicContact CG1-CG1 3.82Å; I246-D248 WeakPolarHBondContact CG2-O 3.34Å; I246-I250 HydrophobicContact CB-CG2 3.52Å; I246-I250 HydrophobicContact CD1-CG2 3.76Å; I246-I250 HydrophobicContact CG1-CG2 4.05Å; I246-I250 HydrophobicContact CG2-CG2 3.87Å; I246-V254 HydrophobicContact CD1-CG1 4.43Å; I246-V254 HydrophobicContact CD1-CG2 3.83Å; I246-V265 HydrophobicContact CD1-CG1 3.53Å; I246-V265 HydrophobicContact CG1-CG1 3.99Å; I246-L266 PolarHBondContact N-O 3.35Å; I246-F268 WeakPolarHBondContact O-CB 3.39Å; I246-F268 PolarHBondContact O-N 2.89Å |
| 247 | M | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -66.7 | -69.5 | 174.7 | -63.1 | 174.2 | 177.3 | 0 | 0 | 109.8 | S149 V155 E163 I221 C222 D223 Q267 F268 | S149-M247 PolarHBondContact OG-SD 2.93Å; V155-M247 HydrophobicContact CG2-CB 4.38Å; E163-M247 HydrophobicContact CB-CB 4.26Å; E163-M247 HydrophobicContact CB-CG 4.36Å; E163-M247 VanDerWaalsContact CD-O 3.31Å; E163-M247 WeakPolarHBondContact OE2-CA 3.42Å; E163-M247 WeakPolarHBondContact OE2-CB 3.47Å; I221-M247 HydrophobicContact CG2-CE 3.66Å; I221-M247 HydrophobicContact CG2-CG 4.29Å; C222-M247 PolarHBondContact O-N 2.82Å; D223-M247 HydrophobicContact CB-SD 4.2Å; M247-Q267 PolarHBondContact O-NE2 3.34Å; M247-F268 HydrophobicContact CE-CE2 4.49Å; M247-F268 HydrophobicContact CG-CB 4.44Å; M247-F268 HydrophobicContact CG-CD2 4.14Å; M247-F268 HydrophobicContact CG-CG 4.3Å |
| 248 | D | 88.2 | Confident | 89.7 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 17% | 0.171 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -56.2 | 153.3 | 180 | -78.8 | -35.1 | 0 | 0 | 0 | 114 | R152 V155 D223 T224 I246 I250 Q267 | R152-D248 IonicContact CZ-OD1 3.32Å; R152-D248 IonicContact CZ-OD2 2.66Å; R152-D248 IonicContact NH1-OD1 3.03Å; R152-D248 IonicContact NH1-OD2 3.8Å; R152-D248 PolarHBondContact NH1-OD2 2.69Å; R152-D248 IonicContact NH2-OD1 3.7Å; R152-D248 PolarHBondContact NH2-OD1 3.07Å; R152-D248 IonicContact NH2-OD2 3.71Å; R152-D248 PolarHBondContact NH2-OD2 3.05Å; R152-D248 VanDerWaalsContact NH2-OD2 3.12Å; V155-D248 WeakPolarHBondContact CG2-OD1 3.37Å; D223-D248 WeakPolarHBondContact O-CB 3.32Å; D223-D248 VanDerWaalsContact O-CG 3.27Å; D223-D248 PolarHBondContact O-N 2.89Å; D223-D248 VanDerWaalsContact O-OD2 3.1Å; T224-D248 WeakPolarHBondContact CG2-OD2 3.42Å; I246-D248 WeakPolarHBondContact CG2-O 3.34Å; D248-I250 PolarHBondContact O-N 2.95Å; D248-Q267 PolarHBondContact O-OE1 2.74Å |
| 249 | P | 89.2 | Confident | 91.1 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 126.5 | -179.6 | -27.7 | 36.2 | 0 | 0 | 0 | 112.2 | V155 P225 | V155-P249 HydrophobicContact CG1-CG 4.17Å; P225-P249 WeakPolarHBondContact CG-O 3.48Å |
| 250 | I | 92.2 | Very high | 92.3 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 21% | 0.205 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 152.4 | 177.3 | 67.7 | -176.8 | 0 | 0 | 0 | 111.9 | I246 D248 V254 I255 V265 Q267 | I246-I250 HydrophobicContact CB-CG2 3.52Å; I246-I250 HydrophobicContact CD1-CG2 3.76Å; I246-I250 HydrophobicContact CG1-CG2 4.05Å; I246-I250 HydrophobicContact CG2-CG2 3.87Å; D248-I250 PolarHBondContact O-N 2.95Å; I250-V254 HydrophobicContact CB-CG1 3.78Å; I250-V254 HydrophobicContact CG2-CG1 4.17Å; I250-I255 HydrophobicContact CD1-CD1 3.9Å; I250-I255 HydrophobicContact CD1-CG1 4Å; I250-I255 HydrophobicContact CG1-CD1 4.19Å; I250-I255 HydrophobicContact CG1-CG1 4.46Å; I250-V265 HydrophobicContact CD1-CG1 4.23Å; I250-V265 HydrophobicContact CG2-CG1 4.37Å; I250-Q267 HydrophobicContact CD1-CB 3.94Å; I250-Q267 HydrophobicContact CG1-CB 4.3Å |
| 251 | D | 93.3 | Very high | 92.9 | Very high | 85 Ų | 85 | 44.8 Ų | 44.8 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | trans | -116.5 | 172.9 | 171.3 | 67 | 17.3 | 0 | 0 | 0 | 111.3 | T253 V254 I255 | D251-T253 PolarHBondContact O-N 2.8Å; D251-T253 WeakPolarHBondContact OD1-CA 3.4Å; D251-T253 WeakPolarHBondContact OD1-CB 3.44Å; D251-T253 PolarHBondContact OD1-N 3.46Å; D251-T253 PolarHBondContact OD1-OG1 3.46Å; D251-V254 VanDerWaalsContact O-CG1 3.32Å; D251-V254 WeakPolarHBondContact O-CG1 3.3Å; D251-V254 PolarHBondContact O-N 2.8Å; D251-V254 PolarHBondContact OD1-N 3.38Å; D251-I255 WeakPolarHBondContact O-CD1 3.14Å; D251-I255 WeakPolarHBondContact O-CG1 3.2Å; D251-I255 PolarHBondContact O-N 2.92Å | ||
| 252 | Q | 95.1 | Very high | 93 | Very high | 119 Ų | 119 | 47.5 Ų | 47.5 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.2 | -28.5 | 178.9 | -166.1 | 61 | 47.1 | 0 | 0 | 112.2 | I255 D256 | Q252-I255 PolarHBondContact O-N 2.96Å; Q252-D256 PolarHBondContact NE2-OD1 3.27Å; Q252-D256 WeakPolarHBondContact O-CB 3.44Å; Q252-D256 PolarHBondContact O-N 2.73Å |
| 253 | T | 95.3 | Very high | 93 | Very high | 101 Ų | 101 | 42.9 Ų | 42.9 | 62% | 0.62 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.6 | -48.1 | -178.9 | -42.3 | 0 | 0 | 0 | 0 | 111.8 | D251 I255 H257 | D251-T253 PolarHBondContact O-N 2.8Å; D251-T253 WeakPolarHBondContact OD1-CA 3.4Å; D251-T253 WeakPolarHBondContact OD1-CB 3.44Å; D251-T253 PolarHBondContact OD1-N 3.46Å; D251-T253 PolarHBondContact OD1-OG1 3.46Å; T253-I255 VanDerWaalsContact C-N 3.34Å; T253-H257 WeakPolarHBondContact O-CB 3.18Å; T253-H257 PolarHBondContact O-N 3.28Å; T253-H257 VanDerWaalsContact O-N 3.09Å |
| 254 | V | 95.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.7 | -33.2 | 179 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | P225 A228 F232 I246 I250 D251 G258 | P225-V254 HydrophobicContact CB-CB 4.26Å; P225-V254 HydrophobicContact CB-CG1 4.2Å; P225-V254 HydrophobicContact CB-CG2 4.26Å; A228-V254 HydrophobicContact CB-CG2 4.22Å; F232-V254 HydrophobicContact CE2-CG2 3.94Å; I246-V254 HydrophobicContact CD1-CG1 4.43Å; I246-V254 HydrophobicContact CD1-CG2 3.83Å; I250-V254 HydrophobicContact CB-CG1 3.78Å; I250-V254 HydrophobicContact CG2-CG1 4.17Å; D251-V254 VanDerWaalsContact O-CG1 3.32Å; D251-V254 WeakPolarHBondContact O-CG1 3.3Å; D251-V254 PolarHBondContact O-N 2.8Å; D251-V254 PolarHBondContact OD1-N 3.38Å; V254-G258 PolarHBondContact O-N 3.43Å |
| 255 | I | 96.5 | Very high | 93.2 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -50.2 | 175.2 | -64.9 | 167.4 | 0 | 0 | 0 | 110.6 | I250 D251 Q252 T253 H257 G258 A259 V265 | I250-I255 HydrophobicContact CD1-CD1 3.9Å; I250-I255 HydrophobicContact CD1-CG1 4Å; I250-I255 HydrophobicContact CG1-CD1 4.19Å; I250-I255 HydrophobicContact CG1-CG1 4.46Å; D251-I255 WeakPolarHBondContact O-CD1 3.14Å; D251-I255 WeakPolarHBondContact O-CG1 3.2Å; D251-I255 PolarHBondContact O-N 2.92Å; Q252-I255 PolarHBondContact O-N 2.96Å; T253-I255 VanDerWaalsContact C-N 3.34Å; I255-H257 VanDerWaalsContact C-N 3.32Å; I255-H257 PolarHBondContact O-N 3.14Å; I255-G258 PolarHBondContact O-N 2.76Å; I255-A259 WeakPolarHBondContact O-CB 3.32Å; I255-A259 PolarHBondContact O-N 2.69Å; I255-V265 HydrophobicContact CG1-CB 4.26Å; I255-V265 HydrophobicContact CG1-CG1 4.39Å |
| 256 | D | 96.2 | Very high | 93.2 | Very high | 90 Ų | 90 | 48.8 Ų | 48.8 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 179.9 | -69.2 | -14.1 | 0 | 0 | 0 | 111.6 | Q252 A259 S260 | Q252-D256 PolarHBondContact NE2-OD1 3.27Å; Q252-D256 WeakPolarHBondContact O-CB 3.44Å; Q252-D256 PolarHBondContact O-N 2.73Å; D256-A259 PolarHBondContact O-N 3.44Å; D256-S260 PolarHBondContact O-N 2.82Å |
| 257 | H | 93.5 | Very high | 93.3 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 176.5 | -172.3 | -169.2 | 0 | 0 | 0 | 111.8 | T229 F232 T253 I255 A259 S260 | T229-H257 PolarHBondContact O-CE1 3.44Å; F232-H257 HydrophobicContact CD2-CB 4.31Å; F232-H257 AromaticContact CD2-CG 3.97Å; F232-H257 AromaticContact CD2-ND1 3.88Å; T253-H257 WeakPolarHBondContact O-CB 3.18Å; T253-H257 PolarHBondContact O-N 3.28Å; T253-H257 VanDerWaalsContact O-N 3.09Å; I255-H257 VanDerWaalsContact C-N 3.32Å; I255-H257 PolarHBondContact O-N 3.14Å; H257-A259 VanDerWaalsContact C-N 3.35Å; H257-A259 PolarHBondContact O-N 3.03Å; H257-S260 PolarHBondContact O-N 3.37Å; H257-S260 PolarHBondContact O-OG 3.02Å |
| 258 | G | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V254 I255 S260 I261 G262 V263 | V254-G258 PolarHBondContact O-N 3.43Å; I255-G258 PolarHBondContact O-N 2.76Å; G258-S260 VanDerWaalsContact C-N 3.25Å; G258-S260 PolarHBondContact O-N 3.32Å; G258-I261 WeakPolarHBondContact O-CG1 3.46Å; G258-I261 PolarHBondContact O-N 2.92Å; G258-G262 PolarHBondContact O-N 3.23Å; G258-V263 CarbonylContact C-O 2.94Å; G258-V263 WeakPolarHBondContact CA-O 3.07Å; G258-V263 PolarHBondContact O-N 3.3Å; G258-V263 VanDerWaalsContact O-O 3.12Å |
| 259 | A | 93.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.5 | -35.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I255 D256 H257 I261 G262 V263 | I255-A259 WeakPolarHBondContact O-CB 3.32Å; I255-A259 PolarHBondContact O-N 2.69Å; D256-A259 PolarHBondContact O-N 3.44Å; H257-A259 VanDerWaalsContact C-N 3.35Å; H257-A259 PolarHBondContact O-N 3.03Å; A259-I261 PolarHBondContact O-N 2.73Å; A259-G262 PolarHBondContact O-N 2.76Å; A259-G262 VanDerWaalsContact O-N 3.12Å; A259-V263 PolarHBondContact N-O 2.81Å |
| 260 | S | 92.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 50 Ų | 50 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63 | -19.7 | 177.9 | 78.6 | 0 | 0 | 0 | 0 | 114.5 | D256 H257 G258 | D256-S260 PolarHBondContact O-N 2.82Å; H257-S260 PolarHBondContact O-N 3.37Å; H257-S260 PolarHBondContact O-OG 3.02Å; G258-S260 VanDerWaalsContact C-N 3.25Å; G258-S260 PolarHBondContact O-N 3.32Å |
| 261 | I | 89.3 | Confident | 93.8 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 12.9 | 176.5 | 64 | 157.7 | 0 | 0 | 0 | 113.1 | F232 G258 A259 V263 | F232-I261 HydrophobicContact CB-CD1 3.59Å; F232-I261 HydrophobicContact CB-CG1 4.43Å; F232-I261 HydrophobicContact CD1-CD1 3.63Å; F232-I261 HydrophobicContact CG-CD1 3.81Å; G258-I261 WeakPolarHBondContact O-CG1 3.46Å; G258-I261 PolarHBondContact O-N 2.92Å; A259-I261 PolarHBondContact O-N 2.73Å; I261-V263 HydrophobicContact CD1-CB 4.46Å; I261-V263 HydrophobicContact CD1-CG2 3.75Å; I261-V263 HydrophobicContact CG1-CB 4.28Å; I261-V263 HydrophobicContact CG1-CG2 3.89Å |
| 262 | G | 89.9 | Confident | 93.8 | Very high | 59 Ų | 59 | 44.2 Ų | 44.2 | 61% | 0.608 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 11.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G258 A259 | G258-G262 PolarHBondContact O-N 3.23Å; A259-G262 PolarHBondContact O-N 2.76Å; A259-G262 VanDerWaalsContact O-N 3.12Å |
| 263 | V | 92.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -101.3 | 125.1 | -178.3 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | F232 L241 V244 G258 A259 I261 V265 | F232-V263 HydrophobicContact CE1-CB 4.39Å; F232-V263 HydrophobicContact CE1-CG1 3.97Å; F232-V263 HydrophobicContact CZ-CG1 4.4Å; L241-V263 HydrophobicContact CD2-CG2 4.28Å; L241-V263 HydrophobicContact CG-CG2 4.27Å; L241-V263 WeakPolarHBondContact O-CG2 3.29Å; V244-V263 HydrophobicContact CB-CG1 4.03Å; V244-V263 HydrophobicContact CG2-CG1 3.7Å; G258-V263 CarbonylContact C-O 2.94Å; G258-V263 WeakPolarHBondContact CA-O 3.07Å; G258-V263 PolarHBondContact O-N 3.3Å; G258-V263 VanDerWaalsContact O-O 3.12Å; A259-V263 PolarHBondContact N-O 2.81Å; I261-V263 HydrophobicContact CD1-CB 4.46Å; I261-V263 HydrophobicContact CD1-CG2 3.75Å; I261-V263 HydrophobicContact CG1-CB 4.28Å; I261-V263 HydrophobicContact CG1-CG2 3.89Å; V263-V265 PolarHBondContact O-N 2.82Å |
| 264 | K | 95.6 | Very high | 93.7 | Very high | 111 Ų | 111 | 41.9 Ų | 41.9 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119 | 172.5 | -172 | -175.7 | -171.4 | -170.4 | 0 | 110.4 | R242 F243 V244 L266 | R242-K264 PolarHBondContact O-N 3.14Å; F243-K264 WeakPolarHBondContact CA-O 3.34Å; F243-K264 HydrophobicContact CD1-CB 3.85Å; F243-K264 HydrophobicContact CD1-CD 4.1Å; F243-K264 HydrophobicContact CD1-CG 4.43Å; F243-K264 HydrophobicContact CE1-CB 4.19Å; F243-K264 HydrophobicContact CE1-CD 3.94Å; V244-K264 PolarHBondContact N-O 3.23Å; K264-L266 HydrophobicContact CD-CD2 4.17Å; K264-L266 HydrophobicContact CD-CG 4.48Å; K264-L266 HydrophobicContact CG-CD2 4.3Å; K264-L266 HydrophobicContact CG-CG 4.34Å |
| 265 | V | 96.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 133.7 | 176.4 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | F232 V244 I246 I250 I255 V263 | F232-V265 HydrophobicContact CE2-CG2 4Å; F232-V265 HydrophobicContact CZ-CG2 3.73Å; V244-V265 CarbonylContact O-C 3.57Å; V244-V265 WeakPolarHBondContact O-CA 3.43Å; I246-V265 HydrophobicContact CD1-CG1 3.53Å; I246-V265 HydrophobicContact CG1-CG1 3.99Å; I250-V265 HydrophobicContact CD1-CG1 4.23Å; I250-V265 HydrophobicContact CG2-CG1 4.37Å; I255-V265 HydrophobicContact CG1-CB 4.26Å; I255-V265 HydrophobicContact CG1-CG1 4.39Å; V263-V265 PolarHBondContact O-N 2.82Å |
| 266 | L | 96.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.2 | -175 | -63.7 | 165.5 | 0 | 0 | 0 | 110.5 | Y131 L135 F243 V244 I245 I246 K264 | Y131-L266 HydrophobicContact CE1-CD1 4.21Å; L135-L266 HydrophobicContact CD1-CD1 3.62Å; L135-L266 HydrophobicContact CD2-CD1 3.75Å; L135-L266 HydrophobicContact CG-CD1 4.35Å; F243-L266 HydrophobicContact CD1-CD1 4.15Å; V244-L266 PolarHBondContact O-N 2.87Å; I245-L266 CarbonylContact C-O 3.56Å; I245-L266 WeakPolarHBondContact CA-O 3.41Å; I245-L266 HydrophobicContact CG1-CB 4.17Å; I245-L266 HydrophobicContact CG1-CD1 4.31Å; I246-L266 PolarHBondContact N-O 3.35Å; K264-L266 HydrophobicContact CD-CD2 4.17Å; K264-L266 HydrophobicContact CD-CG 4.48Å; K264-L266 HydrophobicContact CG-CD2 4.3Å; K264-L266 HydrophobicContact CG-CG 4.34Å |
| 267 | Q | 94 | Very high | 93.6 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133 | 176.9 | -179.7 | 68.6 | 40.5 | 0 | 0 | 110.3 | M247 D248 I250 D269 Q270 C271 | M247-Q267 PolarHBondContact O-NE2 3.34Å; D248-Q267 PolarHBondContact O-OE1 2.74Å; I250-Q267 HydrophobicContact CD1-CB 3.94Å; I250-Q267 HydrophobicContact CG1-CB 4.3Å; Q267-D269 WeakPolarHBondContact CG-OD1 3.29Å; Q267-Q270 HydrophobicContact CB-CB 4.24Å; Q267-Q270 HydrophobicContact CB-CG 4.03Å; Q267-Q270 HydrophobicContact CG-CG 4.06Å; Q267-Q270 PolarHBondContact O-N 3.25Å; Q267-C271 PolarHBondContact O-N 3.32Å; Q267-C271 VanDerWaalsContact O-N 3.1Å; Q267-C271 PolarHBondContact O-SG 3.48Å |
| 268 | F | 92.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -54.7 | -173.9 | -174.7 | -83.8 | 0 | 0 | 0 | 113.9 | L128 E163 I167 S168 I221 I245 I246 M247 Q270 C271 V272 | L128-F268 HydrophobicContact CD1-CE2 4.38Å; L128-F268 HydrophobicContact CD2-CE2 3.53Å; L128-F268 HydrophobicContact CD2-CZ 3.7Å; E163-F268 HydrophobicContact CB-CD1 3.71Å; E163-F268 HydrophobicContact CB-CE1 3.93Å; E163-F268 HydrophobicContact CB-CG 4.38Å; E163-F268 HydrophobicContact CG-CD1 3.52Å; E163-F268 HydrophobicContact CG-CE1 4.08Å; E163-F268 HydrophobicContact CG-CG 4.32Å; I167-F268 HydrophobicContact CB-CZ 4.4Å; I167-F268 HydrophobicContact CG2-CE1 4.47Å; I167-F268 HydrophobicContact CG2-CZ 3.97Å; S168-F268 WeakPolarHBondContact OG-CE2 3.38Å; I221-F268 HydrophobicContact CG2-CD2 3.91Å; I221-F268 HydrophobicContact CG2-CE2 4.08Å; I245-F268 HydrophobicContact CG2-CB 3.84Å; I245-F268 HydrophobicContact CG2-CD2 3.81Å; I245-F268 HydrophobicContact CG2-CG 4.26Å; I246-F268 WeakPolarHBondContact O-CB 3.39Å; I246-F268 PolarHBondContact O-N 2.89Å; M247-F268 HydrophobicContact CE-CE2 4.49Å; M247-F268 HydrophobicContact CG-CB 4.44Å; M247-F268 HydrophobicContact CG-CD2 4.14Å; M247-F268 HydrophobicContact CG-CG 4.3Å; F268-Q270 PolarHBondContact O-N 3.24Å; F268-C271 WeakPolarHBondContact O-CA 3.24Å; F268-C271 WeakPolarHBondContact O-CB 3.5Å; F268-C271 PolarHBondContact O-N 2.91Å; F268-V272 HydrophobicContact CD1-CG2 3.9Å; F268-V272 HydrophobicContact CE1-CG2 3.56Å; F268-V272 HydrophobicContact CZ-CG2 4.11Å; F268-V272 PolarHBondContact O-N 3.29Å |
| 269 | D | 89.8 | Confident | 93.6 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57 | -36.6 | -179.7 | 78.3 | -47.5 | 0 | 0 | 0 | 112.7 | E163 Q267 V272 R273 | E163-D269 PolarHBondContact OE1-N 3.16Å; Q267-D269 WeakPolarHBondContact CG-OD1 3.29Å; D269-V272 PolarHBondContact O-N 2.81Å; D269-R273 WeakPolarHBondContact O-CG 3.14Å; D269-R273 PolarHBondContact O-N 3.34Å; D269-R273 IonicContact OD2-CZ 3.11Å; D269-R273 IonicContact OD2-NH1 2.79Å; D269-R273 PolarHBondContact OD2-NH1 3.42Å; D269-R273 IonicContact OD2-NH2 2.73Å; D269-R273 PolarHBondContact OD2-NH2 3.06Å |
| 270 | Q | 92.6 | Very high | 93.5 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 174.8 | -64.2 | -177.8 | 0.9 | 0 | 0 | 111.8 | Q267 F268 V272 R273 Q274 | Q267-Q270 HydrophobicContact CB-CB 4.24Å; Q267-Q270 HydrophobicContact CB-CG 4.03Å; Q267-Q270 HydrophobicContact CG-CG 4.06Å; Q267-Q270 PolarHBondContact O-N 3.25Å; F268-Q270 PolarHBondContact O-N 3.24Å; Q270-V272 VanDerWaalsContact C-N 3.34Å; Q270-V272 PolarHBondContact O-N 2.78Å; Q270-R273 PolarHBondContact O-N 3.3Å; Q270-Q274 VanDerWaalsContact O-CB 3.24Å; Q270-Q274 WeakPolarHBondContact O-CB 3.36Å; Q270-Q274 VanDerWaalsContact O-CG 3.24Å; Q270-Q274 WeakPolarHBondContact O-CG 3.27Å; Q270-Q274 PolarHBondContact O-N 3.4Å |
| 271 | C | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 110.8 | L128 Y131 I245 Q267 F268 G275 | L128-C271 HydrophobicContact CD1-CB 3.95Å; Y131-C271 WeakPolarHBondContact CB-O 3.38Å; Y131-C271 HydrophobicContact CD1-CB 3.47Å; Y131-C271 VanDerWaalsContact CD1-CB 3.47Å; Y131-C271 WeakPolarHBondContact CD2-O 3.39Å; Y131-C271 HydrophobicContact CE1-CB 3.75Å; Y131-C271 WeakPolarHBondContact CE1-SG 3.34Å; Y131-C271 HydrophobicContact CG-CB 3.91Å; I245-C271 HydrophobicContact CD1-CB 4.46Å; Q267-C271 PolarHBondContact O-N 3.32Å; Q267-C271 VanDerWaalsContact O-N 3.1Å; Q267-C271 PolarHBondContact O-SG 3.48Å; F268-C271 WeakPolarHBondContact O-CA 3.24Å; F268-C271 WeakPolarHBondContact O-CB 3.5Å; F268-C271 PolarHBondContact O-N 2.91Å; C271-G275 PolarHBondContact O-N 2.83Å |
| 272 | V | 93.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -54.9 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | L128 V161 F268 D269 Q270 Q274 G275 C276 | L128-V272 HydrophobicContact CB-CG2 4.14Å; L128-V272 HydrophobicContact CD1-CG2 4.32Å; V161-V272 HydrophobicContact CG1-CB 4.12Å; V161-V272 HydrophobicContact CG1-CG1 3.77Å; V161-V272 HydrophobicContact CG1-CG2 4.38Å; F268-V272 HydrophobicContact CD1-CG2 3.9Å; F268-V272 HydrophobicContact CE1-CG2 3.56Å; F268-V272 HydrophobicContact CZ-CG2 4.11Å; F268-V272 PolarHBondContact O-N 3.29Å; D269-V272 PolarHBondContact O-N 2.81Å; Q270-V272 VanDerWaalsContact C-N 3.34Å; Q270-V272 PolarHBondContact O-N 2.78Å; V272-Q274 PolarHBondContact O-N 3.12Å; V272-G275 WeakPolarHBondContact O-CA 3.33Å; V272-G275 PolarHBondContact O-N 3.47Å; V272-C276 PolarHBondContact O-N 3.29Å; V272-C276 PolarHBondContact O-SG 3.24Å; V272-C276 VanDerWaalsContact O-SG 3.37Å |
| 273 | R | 93 | Very high | 93.9 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | -176.8 | -71.3 | -169.4 | -159.2 | 111.9 | 25.8 | 112.4 | F159 V161 D269 Q270 G275 C276 T277 | F159-R273 PolarHBondContact O-NH2 3.08Å; V161-R273 HydrophobicContact CG2-CG 4.08Å; D269-R273 WeakPolarHBondContact O-CG 3.14Å; D269-R273 PolarHBondContact O-N 3.34Å; D269-R273 IonicContact OD2-CZ 3.11Å; D269-R273 IonicContact OD2-NH1 2.79Å; D269-R273 PolarHBondContact OD2-NH1 3.42Å; D269-R273 IonicContact OD2-NH2 2.73Å; D269-R273 PolarHBondContact OD2-NH2 3.06Å; Q270-R273 PolarHBondContact O-N 3.3Å; R273-G275 VanDerWaalsContact C-N 3.29Å; R273-G275 PolarHBondContact O-N 3.39Å; R273-C276 PolarHBondContact O-N 2.89Å; R273-T277 PolarHBondContact O-N 3.03Å |
| 274 | Q | 95.2 | Very high | 94.1 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.9 | -71.9 | 177.4 | -3.8 | 0 | 0 | 110.1 | Y131 Q270 V272 C276 T277 I278 | Y131-Q274 HydrophobicContact CD2-CB 3.89Å; Y131-Q274 HydrophobicContact CE2-CB 3.65Å; Y131-Q274 HydrophobicContact CE2-CG 4.48Å; Y131-Q274 PolarHBondContact OH-OE1 2.87Å; Q270-Q274 VanDerWaalsContact O-CB 3.24Å; Q270-Q274 WeakPolarHBondContact O-CB 3.36Å; Q270-Q274 VanDerWaalsContact O-CG 3.24Å; Q270-Q274 WeakPolarHBondContact O-CG 3.27Å; Q270-Q274 PolarHBondContact O-N 3.4Å; V272-Q274 PolarHBondContact O-N 3.12Å; Q274-C276 PolarHBondContact O-N 3.43Å; Q274-T277 PolarHBondContact O-N 2.83Å; Q274-T277 PolarHBondContact O-OG1 3.3Å; Q274-I278 WeakPolarHBondContact O-CG1 3.45Å; Q274-I278 PolarHBondContact O-N 3.4Å |
| 275 | G | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.9 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G127 K130 C271 V272 R273 T277 I278 | G127-G275 WeakPolarHBondContact O-CA 3.26Å; K130-G275 WeakPolarHBondContact CD-O 3.08Å; C271-G275 PolarHBondContact O-N 2.83Å; V272-G275 WeakPolarHBondContact O-CA 3.33Å; V272-G275 PolarHBondContact O-N 3.47Å; R273-G275 VanDerWaalsContact C-N 3.29Å; R273-G275 PolarHBondContact O-N 3.39Å; G275-T277 PolarHBondContact O-N 3.47Å; G275-I278 PolarHBondContact O-N 2.79Å |
| 276 | C | 94.3 | Very high | 94.2 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63 | -23 | 175.2 | -66.6 | 0 | 0 | 0 | 0 | 113.4 | V272 R273 Q274 | V272-C276 PolarHBondContact O-N 3.29Å; V272-C276 PolarHBondContact O-SG 3.24Å; V272-C276 VanDerWaalsContact O-SG 3.37Å; R273-C276 PolarHBondContact O-N 2.89Å; Q274-C276 PolarHBondContact O-N 3.43Å |
| 277 | T | 95.7 | Very high | 94.3 | Very high | 114 Ų | 114 | 55 Ų | 55 | 70% | 0.699 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6.9 | 178.6 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | R273 Q274 G275 A279 | R273-T277 PolarHBondContact O-N 3.03Å; Q274-T277 PolarHBondContact O-N 2.83Å; Q274-T277 PolarHBondContact O-OG1 3.3Å; G275-T277 PolarHBondContact O-N 3.47Å; T277-A279 PolarHBondContact O-N 3.44Å |
| 278 | I | 95.6 | Very high | 94.5 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 15% | 0.154 | 35% | 0.353 | C | S | . | . | trans | -74.8 | 109.6 | 179.7 | -58.5 | 174.4 | 0 | 0 | 0 | 109.3 | K130 H134 Q274 G275 D280 A281 | K130-I278 HydrophobicContact CB-CD1 4.26Å; H134-I278 HydrophobicContact CB-CD1 3.72Å; Q274-I278 WeakPolarHBondContact O-CG1 3.45Å; Q274-I278 PolarHBondContact O-N 3.4Å; G275-I278 PolarHBondContact O-N 2.79Å; I278-D280 WeakPolarHBondContact CG2-OD1 3.42Å; I278-A281 HydrophobicContact CG2-CB 3.86Å | ||
| 279 | A | 91.3 | Very high | 94.8 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 84% | 0.843 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -89.2 | -24.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T277 | T277-A279 PolarHBondContact O-N 3.44Š|
| 280 | D | 92.3 | Very high | 95.2 | Very high | 151 Ų | 151 | 67.6 Ų | 67.6 | 81% | 0.807 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -99.8 | 12.2 | -175 | 62.9 | -32.8 | 0 | 0 | 0 | 113.7 | I278 | I278-D280 WeakPolarHBondContact CG2-OD1 3.42Š|
| 281 | A | 91.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 64.7 Ų | 64.7 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 143.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K130 I278 | K130-A281 HydrophobicContact CB-CB 4.26Å; K130-A281 HydrophobicContact CD-CB 4.09Å; K130-A281 HydrophobicContact CG-CB 3.75Å; I278-A281 HydrophobicContact CG2-CB 3.86Å |
| 282 | P | 93.9 | Very high | 95.6 | Very high | 70 Ų | 70 | 65.4 Ų | 65.4 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 155.4 | 173.9 | 27.7 | -34.9 | 0 | 0 | 0 | 111.1 | L133 Y175 | L133-P282 HydrophobicContact CD1-CG 3.53Å; Y175-P282 HydrophobicContact CE1-CG 4.12Å; Y175-P282 PolarHBondContact OH-O 2.68Å |
| 283 | P | 94.5 | Very high | 95.7 | Very high | 100 Ų | 100 | 65.3 Ų | 65.3 | 65% | 0.649 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 147.4 | 176.8 | 26.2 | -34.5 | 0 | 0 | 0 | 111.2 | Y175 T285 | Y175-P283 WeakPolarHBondContact CE1-O 3.34Å; P283-T285 PolarHBondContact O-N 3.05Å; P283-T285 PolarHBondContact O-OG1 3Å |
| 284 | P | 95.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -49.1 | 137.3 | 173.5 | -29 | 36.3 | 0 | 0 | 0 | 111.8 | V174 P286 | V174-P284 HydrophobicContact CG1-CB 3.98Å; V174-P284 HydrophobicContact CG1-CG 4.2Å; P284-P286 WeakPolarHBondContact O-CD 3.42Å |
| 285 | T | 97.2 | Very high | 95.8 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | trans | -120.3 | 83.4 | 176.5 | -52.7 | 0 | 0 | 0 | 0 | 106.8 | V174 Y175 S176 P283 | V174-T285 CarbonylContact O-C 3.41Å; V174-T285 PolarHBondContact O-N 3.12Å; Y175-T285 CarbonylContact C-O 3.45Å; Y175-T285 WeakPolarHBondContact CA-O 3.43Å; S176-T285 PolarHBondContact N-O 2.73Å; S176-T285 PolarHBondContact OG-O 2.88Å; P283-T285 PolarHBondContact O-N 3.05Å; P283-T285 PolarHBondContact O-OG1 3Å | ||
| 286 | P | 97.2 | Very high | 95.5 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 156.5 | -175.5 | 29.8 | -36 | 0 | 0 | 0 | 111.7 | Y84 S176 P284 | Y84-P286 HydrophobicContact CD1-CB 3.69Å; Y84-P286 HydrophobicContact CD2-CB 4.4Å; Y84-P286 HydrophobicContact CE1-CB 3.46Å; Y84-P286 VanDerWaalsContact CE1-CB 3.46Å; Y84-P286 HydrophobicContact CE1-CG 4.28Å; Y84-P286 HydrophobicContact CE2-CB 4.2Å; Y84-P286 HydrophobicContact CG-CB 4.15Å; S176-P286 PolarHBondContact OG-O 3.47Å; P284-P286 WeakPolarHBondContact O-CD 3.42Å |
| 287 | P | 98.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 154.1 | -177.6 | 30.8 | -36.4 | 0 | 0 | 0 | 111.3 | T82 Y173 S176 D291 H312 | T82-P287 HydrophobicContact CG2-CG 4.36Å; T82-P287 WeakPolarHBondContact CG2-O 3.44Å; Y173-P287 VanDerWaalsContact O-CD 3.25Å; Y173-P287 WeakPolarHBondContact O-CD 3.4Å; S176-P287 VanDerWaalsContact OG-CA 3.29Å; S176-P287 WeakPolarHBondContact OG-CA 3.37Å; P287-D291 HydrophobicContact CB-CB 4.08Å; P287-H312 VanDerWaalsContact CB-CD2 3.48Å; P287-H312 WeakPolarHBondContact CB-CD2 3.34Å; P287-H312 WeakPolarHBondContact CB-NE2 3.34Å; P287-H312 VanDerWaalsContact CG-NE2 3.28Å; P287-H312 WeakPolarHBondContact CG-NE2 3.33Å |
| 288 | E | 98.4 | Very high | 94.1 | Very high | 132 Ų | 132 | 51 Ų | 51 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 162.6 | 165.9 | -67.1 | -63.3 | 154.2 | 0 | 0 | 110.7 | D290 D291 | E288-D290 VanDerWaalsContact C-N 3.28Å; E288-D290 PolarHBondContact O-N 3.14Å; E288-D291 PolarHBondContact N-OD2 3.48Å; E288-D291 VanDerWaalsContact O-CB 3.32Å; E288-D291 WeakPolarHBondContact O-CB 3.1Å; E288-D291 PolarHBondContact O-N 3.3Å; E288-D291 VanDerWaalsContact O-N 3.12Å |
| 289 | P | 98.5 | Very high | 92.5 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35.3 | -177.3 | -27.4 | 37.4 | 0 | 0 | 0 | 114.6 | R81 T82 D291 H312 A313 | R81-P289 HydrophobicContact CB-CG 3.8Å; T82-P289 HydrophobicContact CG2-CG 4.41Å; P289-D291 VanDerWaalsContact C-N 3.31Å; P289-H312 PolarHBondContact O-N 3.13Å; P289-A313 HydrophobicContact CB-CB 3.96Å; P289-A313 VanDerWaalsContact O-CB 3.24Å; P289-A313 WeakPolarHBondContact O-CB 3.39Å; P289-A313 PolarHBondContact O-N 2.69Å |
| 290 | D | 97.9 | Very high | 90.6 | Very high | 126 Ų | 126 | 47 Ų | 47 | 67% | 0.674 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -4.5 | -178.5 | -67.9 | -26.1 | 0 | 0 | 0 | 113.7 | E288 T311 | E288-D290 VanDerWaalsContact C-N 3.28Å; E288-D290 PolarHBondContact O-N 3.14Å; D290-T311 WeakPolarHBondContact O-CG2 3.2Å |
| 291 | D | 98.4 | Very high | 88.4 | Confident | 43 Ų | 43 | 41.8 Ų | 41.8 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -68.4 | 145.9 | 173.1 | -74.4 | -24.6 | 0 | 0 | 0 | 110.6 | Q141 P287 E288 P289 C293 T311 H312 | Q141-D291 HydrophobicContact CG-CB 4.22Å; P287-D291 HydrophobicContact CB-CB 4.08Å; E288-D291 PolarHBondContact N-OD2 3.48Å; E288-D291 VanDerWaalsContact O-CB 3.32Å; E288-D291 WeakPolarHBondContact O-CB 3.1Å; E288-D291 PolarHBondContact O-N 3.3Å; E288-D291 VanDerWaalsContact O-N 3.12Å; P289-D291 VanDerWaalsContact C-N 3.31Å; D291-C293 PolarHBondContact O-N 2.87Å; D291-T311 CarbonylContact O-C 3.6Å; D291-T311 WeakPolarHBondContact O-CA 3.21Å; D291-T311 WeakPolarHBondContact O-CB 3.21Å; D291-H312 PolarHBondContact O-CD2 3.44Å; D291-H312 PolarHBondContact O-N 2.77Å |
| 292 | L | 97.7 | Very high | 86.4 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 123.6 | 172.1 | -65.5 | -177.5 | 0 | 0 | 0 | 109.7 | Q141 V178 M309 T311 K538 | Q141-L292 PolarHBondContact NE2-O 3.23Å; V178-L292 HydrophobicContact CG1-CB 4.02Å; V178-L292 HydrophobicContact CG2-CB 3.76Å; L292-M309 HydrophobicContact CD1-SD 4.33Å; L292-M309 HydrophobicContact CD2-CB 3.79Å; L292-M309 HydrophobicContact CD2-CG 4.43Å; L292-T311 HydrophobicContact CD2-CG2 4.31Å; L292-K538 HydrophobicContact CD2-CD 4.31Å |
| 293 | C | 97.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -43.6 | 170.6 | 178.9 | 0 | 0 | 0 | 0 | 110 | Y173 N179 D291 L310 H312 I315 | Y173-C293 WeakPolarHBondContact CE1-O 3.44Å; Y173-C293 VanDerWaalsContact CE1-SG 3.6Å; Y173-C293 PolarHBondContact OH-SG 3.02Å; N179-C293 PolarHBondContact ND2-O 3.44Å; D291-C293 PolarHBondContact O-N 2.87Å; C293-L310 PolarHBondContact N-O 3.33Å; C293-H312 HydrophobicContact CB-CB 4.42Å; C293-H312 VanDerWaalsContact SG-CE1 3.53Å; C293-I315 HydrophobicContact CB-CD1 3.8Å; C293-I315 VanDerWaalsContact SG-CD1 3.5Å |
| 294 | T | 95.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 153.7 | -174.5 | -168.8 | 0 | 0 | 0 | 0 | 112.8 | N179 P181 L310 I315 M345 R348 | N179-T294 VanDerWaalsContact O-CA 3.28Å; N179-T294 WeakPolarHBondContact O-CA 3.46Å; N179-T294 PolarHBondContact O-OG1 3.48Å; N179-T294 WeakPolarHBondContact OD1-CB 3.45Å; N179-T294 PolarHBondContact OD1-OG1 2.67Å; P181-T294 WeakPolarHBondContact CD-OG1 3.37Å; T294-L310 HydrophobicContact CG2-CB 3.91Å; T294-L310 HydrophobicContact CG2-CD1 4.15Å; T294-L310 PolarHBondContact N-O 3.04Å; T294-L310 PolarHBondContact O-N 3.36Å; T294-I315 HydrophobicContact CG2-CD1 4.23Å; T294-M345 HydrophobicContact CG2-SD 4.29Å; T294-R348 PolarHBondContact OG1-NH1 3.28Å |
| 295 | V | 94.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 100.3 | 166.9 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | F144 V178 N179 V180 P181 Y297 V308 M309 Y541 | F144-V295 HydrophobicContact CD1-CG2 4.24Å; F144-V295 HydrophobicContact CE1-CG2 3.77Å; V178-V295 HydrophobicContact CG1-CG2 4.04Å; N179-V295 PolarHBondContact O-N 3.04Å; N179-V295 VanDerWaalsContact O-N 3.08Å; V180-V295 HydrophobicContact CG2-CB 4.34Å; P181-V295 WeakPolarHBondContact CD-O 3.35Å; V295-Y297 HydrophobicContact CG1-CD2 4.35Å; V295-Y297 HydrophobicContact CG1-CE2 3.75Å; V295-V308 WeakPolarHBondContact CA-O 3.37Å; V295-M309 HydrophobicContact CG2-CG 4.36Å; V295-Y541 HydrophobicContact CG1-CD2 4.47Å; V295-Y541 HydrophobicContact CG1-CG 4.11Å; V295-Y541 HydrophobicContact CG2-CD2 4.21Å |
| 296 | C | 89.6 | Confident | 82 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 119 | -177 | -74.1 | 0 | 0 | 0 | 0 | 111.2 | T298 V308 M345 T482 | C296-T298 PolarHBondContact O-N 3.42Å; C296-V308 PolarHBondContact N-O 3.39Å; C296-V308 WeakPolarHBondContact O-CB 3.21Å; C296-V308 PolarHBondContact O-N 3.48Å; C296-M345 PolarHBondContact SG-SD 2.96Å; C296-T482 HydrophobicContact CB-CG2 3.55Å |
| 297 | Y | 85.1 | Confident | 81.7 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.3 | -179.4 | -77.2 | -96.4 | 0 | 0 | 0 | 112.8 | V180 Y183 I194 Q197 V295 P305 K306 | V180-Y297 HydrophobicContact CG1-CD2 3.92Å; V180-Y297 HydrophobicContact CG1-CE2 3.61Å; Y183-Y297 VanDerWaalsContact CE1-O 3.31Å; Y183-Y297 WeakPolarHBondContact CE1-O 3.43Å; Y183-Y297 PolarHBondContact OH-O 2.95Å; Y183-Y297 VanDerWaalsContact OH-O 3.13Å; I194-Y297 HydrophobicContact CB-CE1 4.48Å; I194-Y297 HydrophobicContact CB-CE2 4.39Å; I194-Y297 HydrophobicContact CD1-CD1 3.96Å; I194-Y297 HydrophobicContact CD1-CD2 4.01Å; I194-Y297 HydrophobicContact CD1-CG 3.62Å; I194-Y297 HydrophobicContact CG1-CD1 3.63Å; I194-Y297 HydrophobicContact CG1-CD2 4.05Å; I194-Y297 HydrophobicContact CG1-CE1 3.78Å; I194-Y297 HydrophobicContact CG1-CE2 4.21Å; I194-Y297 HydrophobicContact CG1-CG 3.75Å; I194-Y297 HydrophobicContact CG2-CD2 3.76Å; I194-Y297 HydrophobicContact CG2-CE1 4.28Å; I194-Y297 HydrophobicContact CG2-CE2 3.39Å; I194-Y297 HydrophobicContact CG2-CG 4.34Å; Q197-Y297 PolarHBondContact OE1-OH 2.88Å; V295-Y297 HydrophobicContact CG1-CD2 4.35Å; V295-Y297 HydrophobicContact CG1-CE2 3.75Å; Y297-P305 HydrophobicContact CD1-CB 3.92Å; Y297-K306 WeakPolarHBondContact CA-O 3.05Å |
| 298 | T | 75.5 | Confident | 81.5 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 145.1 | 173.7 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | C296 G300 P305 K306 V308 | C296-T298 PolarHBondContact O-N 3.42Å; T298-G300 PolarHBondContact O-N 2.76Å; T298-G300 VanDerWaalsContact O-N 3.08Å; T298-P305 WeakPolarHBondContact O-CA 3.29Å; T298-P305 WeakPolarHBondContact O-CB 3.33Å; T298-K306 PolarHBondContact N-O 2.98Å; T298-K306 PolarHBondContact OG1-O 3.34Å; T298-V308 HydrophobicContact CG2-CG2 3.64Å |
| 299 | S | 61.7 | Low | 81.4 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | trans | -71.3 | 104.7 | 170 | 47.6 | 0 | 0 | 0 | 0 | 108.2 | Y183 T301 T695 | Y183-S299 WeakPolarHBondContact OH-CA 3.32Å; Y183-S299 PolarHBondContact OH-N 3.04Å; S299-T301 PolarHBondContact O-N 3.11Å; S299-T695 PolarHBondContact OG-OG1 2.89Å; S299-T695 VanDerWaalsContact OG-OG1 3.11Å | ||
| 300 | G | 51.5 | Low | 81.4 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 24% | 0.237 | 20% | 0.2 | C | C | . | . | trans | -59.7 | 107.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T298 T302 D303 | T298-G300 PolarHBondContact O-N 2.76Å; T298-G300 VanDerWaalsContact O-N 3.08Å; G300-T302 PolarHBondContact O-N 3.14Å; G300-D303 WeakPolarHBondContact CA-O 3.48Å | ||
| 301 | T | 47.4 | Very low | 81.4 | Confident | 42 Ų | 42 | 32.6 Ų | 32.6 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -67.3 | -22.1 | 173.4 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | S299 T693 | S299-T301 PolarHBondContact O-N 3.11Å; T301-T693 HydrophobicContact CG2-CG2 3.67Å |
| 302 | T | 49.1 | Very low | 81.5 | Confident | 91 Ų | 91 | 30.6 Ų | 30.6 | 56% | 0.558 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -138 | -20.1 | -171.1 | 41.5 | 0 | 0 | 0 | 0 | 114.2 | G300 P701 | G300-T302 PolarHBondContact O-N 3.14Å; T302-P701 HydrophobicContact CG2-CG 4.37Å |
| 303 | D | 56.1 | Low | 81.5 | Confident | 117 Ų | 117 | 31 Ų | 31 | 63% | 0.626 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -135.7 | -177.2 | -174.6 | -80.2 | -43.2 | 0 | 0 | 0 | 112.4 | G300 | G300-D303 WeakPolarHBondContact CA-O 3.48Š|
| 304 | R | 69.2 | Low | 81.6 | Confident | 178 Ų | 178 | 31.7 Ų | 31.7 | 67% | 0.672 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -56.3 | 148.6 | 169.2 | -66.6 | 179.3 | 178.5 | 168.2 | -1.3 | 111 | Y193 K306 | Y193-R304 HydrophobicContact CE1-CB 4.08Å; R304-K306 PolarHBondContact O-N 3.12Å |
| 305 | P | 77.2 | Confident | 81.7 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 10% | 0.104 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 134.7 | 175.4 | -23.8 | 32.6 | 0 | 0 | 0 | 112.1 | L186 A190 Y193 I194 Y297 T298 | L186-P305 HydrophobicContact CD2-CG 4.49Å; A190-P305 HydrophobicContact CB-CG 3.85Å; Y193-P305 HydrophobicContact CD1-CG 4.48Å; Y193-P305 WeakPolarHBondContact CE1-O 3.4Å; I194-P305 HydrophobicContact CD1-CB 4.48Å; Y297-P305 HydrophobicContact CD1-CB 3.92Å; T298-P305 WeakPolarHBondContact O-CA 3.29Å; T298-P305 WeakPolarHBondContact O-CB 3.33Å |
| 306 | K | 85.6 | Confident | 81.9 | Confident | 53 Ų | 53 | 31.7 Ų | 31.7 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -103.3 | 127.3 | 177.3 | -60.2 | 177.4 | -75.3 | 164.8 | 0 | 109.8 | Y297 T298 R304 Y540 | Y297-K306 WeakPolarHBondContact CA-O 3.05Å; T298-K306 PolarHBondContact N-O 2.98Å; T298-K306 PolarHBondContact OG1-O 3.34Å; R304-K306 PolarHBondContact O-N 3.12Å; K306-Y540 HydrophobicContact CB-CD1 3.68Å; K306-Y540 HydrophobicContact CB-CE1 3.93Å; K306-Y540 HydrophobicContact CB-CG 4.26Å; K306-Y540 HydrophobicContact CD-CD1 4.32Å; K306-Y540 HydrophobicContact CD-CD2 4.38Å; K306-Y540 HydrophobicContact CD-CE1 4.15Å; K306-Y540 HydrophobicContact CD-CE2 4.19Å; K306-Y540 HydrophobicContact CD-CG 4.43Å; K306-Y540 PolarHBondContact NZ-OH 2.75Å |
| 307 | G | 90.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 115.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y540 Y541 | G307-Y540 CarbonylContact O-C 3.56Å; G307-Y540 VanDerWaalsContact O-CA 3.26Å; G307-Y540 WeakPolarHBondContact O-CA 3.33Å; G307-Y541 WeakPolarHBondContact O-CB 3.4Å; G307-Y541 PolarHBondContact O-N 3.15Å |
| 308 | V | 93.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 115.6 | 178 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | V295 C296 T298 L310 T482 E483 F537 Y540 | V295-V308 WeakPolarHBondContact CA-O 3.37Å; C296-V308 PolarHBondContact N-O 3.39Å; C296-V308 WeakPolarHBondContact O-CB 3.21Å; C296-V308 PolarHBondContact O-N 3.48Å; T298-V308 HydrophobicContact CG2-CG2 3.64Å; V308-L310 HydrophobicContact CG1-CD1 4.49Å; V308-L310 HydrophobicContact CG1-CD2 3.96Å; V308-L310 HydrophobicContact CG1-CG 3.99Å; V308-L310 PolarHBondContact O-N 3.28Å; V308-T482 HydrophobicContact CB-CG2 3.89Å; V308-T482 HydrophobicContact CG1-CG2 4.04Å; V308-T482 HydrophobicContact CG2-CG2 3.89Å; V308-E483 HydrophobicContact CG1-CG 4.35Å; V308-E483 HydrophobicContact CG2-CG 4.04Å; V308-F537 HydrophobicContact CB-CD2 4.27Å; V308-F537 HydrophobicContact CG1-CB 3.68Å; V308-F537 HydrophobicContact CG1-CD2 3.45Å; V308-F537 VanDerWaalsContact CG1-CD2 3.45Å; V308-F537 HydrophobicContact CG1-CE2 4.38Å; V308-F537 HydrophobicContact CG1-CG 3.91Å; V308-Y540 HydrophobicContact CG2-CD1 4.19Å; V308-Y540 HydrophobicContact CG2-CE1 3.92Å |
| 309 | M | 97.5 | Very high | 84 | Confident | 31 Ų | 31 | 30 Ų | 30 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 109.4 | 179.3 | -66.7 | -173.3 | -66.9 | 0 | 0 | 111.2 | L292 V295 F537 K538 G539 Y541 | L292-M309 HydrophobicContact CD1-SD 4.33Å; L292-M309 HydrophobicContact CD2-CB 3.79Å; L292-M309 HydrophobicContact CD2-CG 4.43Å; V295-M309 HydrophobicContact CG2-CG 4.36Å; M309-F537 WeakPolarHBondContact O-CB 3.36Å; M309-K538 HydrophobicContact CB-CB 4.19Å; M309-K538 PolarHBondContact O-N 2.63Å; M309-G539 WeakPolarHBondContact CB-O 3.37Å; M309-G539 PolarHBondContact N-O 2.88Å; M309-Y541 HydrophobicContact CG-CD2 3.87Å; M309-Y541 HydrophobicContact CG-CG 4.45Å; M309-Y541 HydrophobicContact SD-CD2 3.69Å; M309-Y541 HydrophobicContact SD-CE2 4.48Å |
| 310 | L | 98.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.3 | 179 | -63.2 | 174.5 | 0 | 0 | 0 | 110.4 | C293 T294 V308 I315 M345 V485 F537 | C293-L310 PolarHBondContact N-O 3.33Å; T294-L310 HydrophobicContact CG2-CB 3.91Å; T294-L310 HydrophobicContact CG2-CD1 4.15Å; T294-L310 PolarHBondContact N-O 3.04Å; T294-L310 PolarHBondContact O-N 3.36Å; V308-L310 HydrophobicContact CG1-CD1 4.49Å; V308-L310 HydrophobicContact CG1-CD2 3.96Å; V308-L310 HydrophobicContact CG1-CG 3.99Å; V308-L310 PolarHBondContact O-N 3.28Å; L310-I315 HydrophobicContact CB-CD1 4.42Å; L310-I315 HydrophobicContact CB-CG1 4.47Å; L310-M345 HydrophobicContact CD1-CE 3.81Å; L310-M345 HydrophobicContact CD1-CG 3.81Å; L310-M345 HydrophobicContact CD1-SD 3.75Å; L310-V485 HydrophobicContact CD1-CG2 4.25Å; L310-V485 HydrophobicContact CD2-CG2 3.86Å; L310-F537 HydrophobicContact CD2-CB 3.57Å |
| 311 | T | 98.7 | Very high | 87.8 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 165.5 | 174.2 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | D290 D291 L292 A313 N314 I315 | D290-T311 WeakPolarHBondContact O-CG2 3.2Å; D291-T311 CarbonylContact O-C 3.6Å; D291-T311 WeakPolarHBondContact O-CA 3.21Å; D291-T311 WeakPolarHBondContact O-CB 3.21Å; L292-T311 HydrophobicContact CD2-CG2 4.31Å; T311-A313 VanDerWaalsContact C-N 3.31Å; T311-A313 PolarHBondContact O-N 3.25Å; T311-N314 PolarHBondContact N-OD1 2.87Å; T311-N314 PolarHBondContact O-N 3.4Å; T311-N314 PolarHBondContact OG1-N 2.89Å; T311-N314 VanDerWaalsContact OG1-N 3.07Å; T311-N314 PolarHBondContact OG1-OD1 3.03Å; T311-I315 PolarHBondContact O-N 3.44Å |
| 312 | H | 98.6 | Very high | 90 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 171.5 | -80.5 | -73.6 | 0 | 0 | 0 | 112.2 | T82 V83 Y173 P287 P289 D291 C293 N314 I315 V316 | T82-H312 HydrophobicContact CG2-CB 3.89Å; V83-H312 PolarHBondContact N-ND1 2.9Å; Y173-H312 AromaticContact CD1-CE1 3.56Å; Y173-H312 AromaticContact CD1-NE2 3.84Å; Y173-H312 AromaticContact CE1-CE1 3.72Å; Y173-H312 AromaticContact CG-CE1 3.93Å; P287-H312 VanDerWaalsContact CB-CD2 3.48Å; P287-H312 WeakPolarHBondContact CB-CD2 3.34Å; P287-H312 WeakPolarHBondContact CB-NE2 3.34Å; P287-H312 VanDerWaalsContact CG-NE2 3.28Å; P287-H312 WeakPolarHBondContact CG-NE2 3.33Å; P289-H312 PolarHBondContact O-N 3.13Å; D291-H312 PolarHBondContact O-CD2 3.44Å; D291-H312 PolarHBondContact O-N 2.77Å; C293-H312 HydrophobicContact CB-CB 4.42Å; C293-H312 VanDerWaalsContact SG-CE1 3.53Å; H312-N314 VanDerWaalsContact C-N 3.34Å; H312-N314 PolarHBondContact O-N 2.81Å; H312-I315 PolarHBondContact O-N 2.56Å; H312-V316 WeakPolarHBondContact O-CG2 3.17Å; H312-V316 PolarHBondContact O-N 2.83Å |
| 313 | A | 98.6 | Very high | 92.2 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 22% | 0.215 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P289 T311 I315 V316 A317 | P289-A313 HydrophobicContact CB-CB 3.96Å; P289-A313 VanDerWaalsContact O-CB 3.24Å; P289-A313 WeakPolarHBondContact O-CB 3.39Å; P289-A313 PolarHBondContact O-N 2.69Å; T311-A313 VanDerWaalsContact C-N 3.31Å; T311-A313 PolarHBondContact O-N 3.25Å; A313-I315 VanDerWaalsContact C-N 3.31Å; A313-I315 PolarHBondContact O-N 2.98Å; A313-V316 PolarHBondContact O-N 2.97Å; A313-A317 VanDerWaalsContact O-CB 3.24Å; A313-A317 WeakPolarHBondContact O-CB 3.4Å; A313-A317 PolarHBondContact O-N 3.2Å |
| 314 | N | 98.6 | Very high | 93.9 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 8% | 0.075 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.1 | -49.3 | 176.8 | -64.6 | 149.5 | 0 | 0 | 0 | 111.1 | T311 H312 A317 D318 V485 P534 N535 V536 | T311-N314 PolarHBondContact N-OD1 2.87Å; T311-N314 PolarHBondContact O-N 3.4Å; T311-N314 PolarHBondContact OG1-N 2.89Å; T311-N314 VanDerWaalsContact OG1-N 3.07Å; T311-N314 PolarHBondContact OG1-OD1 3.03Å; H312-N314 VanDerWaalsContact C-N 3.34Å; H312-N314 PolarHBondContact O-N 2.81Å; N314-A317 PolarHBondContact O-N 3.08Å; N314-D318 PolarHBondContact O-N 3.44Å; N314-V485 HydrophobicContact CB-CG2 3.84Å; N314-P534 VanDerWaalsContact CA-O 3.28Å; N314-P534 WeakPolarHBondContact CA-O 3.12Å; N314-P534 PolarHBondContact ND2-O 3.29Å; N314-N535 WeakPolarHBondContact O-CA 3.26Å; N314-V536 PolarHBondContact ND2-O 3.41Å |
| 315 | I | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71.3 | -41.5 | -175.1 | -62.5 | 169.9 | 0 | 0 | 0 | 111.3 | V83 C293 T294 L310 T311 H312 A313 A317 D318 G319 M345 I352 V485 | V83-I315 HydrophobicContact CG2-CB 4.09Å; V83-I315 HydrophobicContact CG2-CD1 4.23Å; V83-I315 HydrophobicContact CG2-CG2 3.85Å; C293-I315 HydrophobicContact CB-CD1 3.8Å; C293-I315 VanDerWaalsContact SG-CD1 3.5Å; T294-I315 HydrophobicContact CG2-CD1 4.23Å; L310-I315 HydrophobicContact CB-CD1 4.42Å; L310-I315 HydrophobicContact CB-CG1 4.47Å; T311-I315 PolarHBondContact O-N 3.44Å; H312-I315 PolarHBondContact O-N 2.56Å; A313-I315 VanDerWaalsContact C-N 3.31Å; A313-I315 PolarHBondContact O-N 2.98Å; I315-A317 VanDerWaalsContact C-N 3.32Å; I315-A317 PolarHBondContact O-N 3.44Å; I315-D318 PolarHBondContact O-N 2.93Å; I315-G319 PolarHBondContact O-N 2.92Å; I315-M345 HydrophobicContact CD1-CE 3.86Å; I315-M345 HydrophobicContact CG1-CE 3.89Å; I315-I352 HydrophobicContact CG2-CD1 3.4Å; I315-I352 HydrophobicContact CG2-CG2 4.37Å; I315-V485 HydrophobicContact CG1-CG1 4.18Å; I315-V485 HydrophobicContact CG1-CG2 3.93Å |
| 316 | V | 98.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 177.1 | 169 | 0 | 0 | 0 | 0 | 111.4 | F75 V80 H312 A313 G319 | F75-V316 HydrophobicContact CB-CG1 3.68Å; V80-V316 HydrophobicContact CG1-CG2 4.46Å; V80-V316 WeakPolarHBondContact O-CG1 3.46Å; H312-V316 WeakPolarHBondContact O-CG2 3.17Å; H312-V316 PolarHBondContact O-N 2.83Å; A313-V316 PolarHBondContact O-N 2.97Å; V316-G319 PolarHBondContact O-N 2.78Å |
| 317 | A | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L74 A313 N314 I315 G319 T320 A507 P534 | L74-A317 VanDerWaalsContact O-CA 3.24Å; L74-A317 WeakPolarHBondContact O-CA 3.32Å; L74-A317 WeakPolarHBondContact O-CB 3.33Å; L74-A317 PolarHBondContact O-N 3.03Å; A313-A317 VanDerWaalsContact O-CB 3.24Å; A313-A317 WeakPolarHBondContact O-CB 3.4Å; A313-A317 PolarHBondContact O-N 3.2Å; N314-A317 PolarHBondContact O-N 3.08Å; I315-A317 VanDerWaalsContact C-N 3.32Å; I315-A317 PolarHBondContact O-N 3.44Å; A317-G319 PolarHBondContact O-N 3.21Å; A317-T320 VanDerWaalsContact O-CB 3.24Å; A317-T320 WeakPolarHBondContact O-CB 3.45Å; A317-T320 WeakPolarHBondContact O-CG2 3.47Å; A317-T320 PolarHBondContact O-N 3.44Å; A317-T320 PolarHBondContact O-OG1 2.86Å; A317-A507 HydrophobicContact CB-CB 4.14Å; A317-A507 VanDerWaalsContact O-CB 3.26Å; A317-A507 WeakPolarHBondContact O-CB 3.15Å; A317-P534 HydrophobicContact CB-CB 3.71Å; A317-P534 HydrophobicContact CB-CG 3.69Å |
| 318 | D | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -31.2 | 177.4 | -152.2 | 25.6 | 0 | 0 | 0 | 112 | N314 I315 T320 V321 L349 V485 A486 A487 N535 | N314-D318 PolarHBondContact O-N 3.44Å; I315-D318 PolarHBondContact O-N 2.93Å; D318-T320 PolarHBondContact O-N 2.72Å; D318-V321 WeakPolarHBondContact O-CB 3.39Å; D318-V321 VanDerWaalsContact O-CG1 3.22Å; D318-V321 WeakPolarHBondContact O-CG1 3.46Å; D318-V321 PolarHBondContact O-N 3.12Å; D318-L349 HydrophobicContact CB-CD1 3.95Å; D318-L349 HydrophobicContact CB-CD2 4.44Å; D318-L349 WeakPolarHBondContact OD2-CD2 3.34Å; D318-V485 HydrophobicContact CB-CB 3.81Å; D318-V485 HydrophobicContact CB-CG1 3.73Å; D318-V485 HydrophobicContact CB-CG2 4.33Å; D318-V485 VanDerWaalsContact OD2-CB 3.26Å; D318-V485 WeakPolarHBondContact OD2-CB 3.37Å; D318-V485 VanDerWaalsContact OD2-CG1 3.25Å; D318-V485 WeakPolarHBondContact OD2-CG1 3.36Å; D318-A486 PolarHBondContact OD2-N 2.89Å; D318-A487 PolarHBondContact OD2-N 3.24Å; D318-N535 HydrophobicContact CB-CB 3.83Å |
| 319 | G | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -58.3 | -16.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L76 I315 V316 A317 V321 E322 | L76-G319 WeakPolarHBondContact CD1-O 3.46Å; I315-G319 PolarHBondContact O-N 2.92Å; V316-G319 PolarHBondContact O-N 2.78Å; A317-G319 PolarHBondContact O-N 3.21Å; G319-V321 PolarHBondContact O-N 3.37Å; G319-E322 PolarHBondContact O-N 3.25Å |
| 320 | T | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -65.8 | -14.4 | 173.7 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | K73 L76 A317 D318 E322 S323 | K73-T320 HydrophobicContact CB-CG2 3.68Å; L76-T320 HydrophobicContact CD2-CG2 4.28Å; L76-T320 HydrophobicContact CG-CG2 4.17Å; A317-T320 VanDerWaalsContact O-CB 3.24Å; A317-T320 WeakPolarHBondContact O-CB 3.45Å; A317-T320 WeakPolarHBondContact O-CG2 3.47Å; A317-T320 PolarHBondContact O-N 3.44Å; A317-T320 PolarHBondContact O-OG1 2.86Å; D318-T320 PolarHBondContact O-N 2.72Å; T320-E322 PolarHBondContact O-N 3.37Å; T320-E322 VanDerWaalsContact O-N 3.09Å; T320-S323 WeakPolarHBondContact O-CB 3.44Å; T320-S323 PolarHBondContact O-N 3.04Å; T320-S323 PolarHBondContact O-OG 2.77Å |
| 321 | V | 96.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 19.7 Ų | 19.7 | 8% | 0.079 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -52.6 | -27.7 | 170.4 | 70.6 | 0 | 0 | 0 | 0 | 112.5 | D318 G319 S323 A324 L349 A487 L490 C505 | D318-V321 WeakPolarHBondContact O-CB 3.39Å; D318-V321 VanDerWaalsContact O-CG1 3.22Å; D318-V321 WeakPolarHBondContact O-CG1 3.46Å; D318-V321 PolarHBondContact O-N 3.12Å; G319-V321 PolarHBondContact O-N 3.37Å; V321-S323 PolarHBondContact O-N 3.39Å; V321-S323 VanDerWaalsContact O-N 3.15Å; V321-A324 WeakPolarHBondContact O-CB 3.36Å; V321-A324 PolarHBondContact O-N 2.97Å; V321-L349 HydrophobicContact CG1-CD2 4.24Å; V321-A487 HydrophobicContact CG2-CB 4.31Å; V321-L490 HydrophobicContact CG2-CB 4.31Å; V321-L490 HydrophobicContact CG2-CD2 3.72Å; V321-C505 HydrophobicContact CG2-CB 4.35Å; V321-C505 VanDerWaalsContact CG2-SG 3.52Å |
| 322 | E | 94.3 | Very high | 95 | Very high | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -58.5 | -28.4 | 175.7 | -174.9 | -87 | 165.1 | 0 | 0 | 112.9 | L76 G319 T320 A324 F325 I330 K357 | L76-E322 HydrophobicContact CD1-CB 4.07Å; G319-E322 PolarHBondContact O-N 3.25Å; T320-E322 PolarHBondContact O-N 3.37Å; T320-E322 VanDerWaalsContact O-N 3.09Å; E322-A324 PolarHBondContact O-N 3.31Å; E322-F325 WeakPolarHBondContact O-CD2 3.48Å; E322-F325 PolarHBondContact O-N 2.86Å; E322-I330 HydrophobicContact CG-CB 4.21Å; E322-I330 HydrophobicContact CG-CD1 3.9Å; E322-I330 HydrophobicContact CG-CG1 4.08Å; E322-I330 PolarHBondContact OE1-N 2.99Å; E322-K357 VanDerWaalsContact OE1-CE 3.27Å; E322-K357 WeakPolarHBondContact OE1-CE 3.2Å; E322-K357 IonicContact OE1-NZ 2.69Å; E322-K357 PolarHBondContact OE1-NZ 3.28Å; E322-K357 WeakPolarHBondContact OE2-CE 3.27Å; E322-K357 IonicContact OE2-NZ 3.57Å; E322-K357 PolarHBondContact OE2-NZ 3.15Å |
| 323 | S | 93.3 | Very high | 94.8 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 18% | 0.175 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -65.6 | -9.3 | 176.1 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | K73 T320 V321 F325 | K73-S323 PolarHBondContact NZ-OG 3.32Å; T320-S323 WeakPolarHBondContact O-CB 3.44Å; T320-S323 PolarHBondContact O-N 3.04Å; T320-S323 PolarHBondContact O-OG 2.77Å; V321-S323 PolarHBondContact O-N 3.39Å; V321-S323 VanDerWaalsContact O-N 3.15Å; S323-F325 PolarHBondContact O-N 2.99Å |
| 324 | A | 92.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -70.2 | -18.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y44 L66 V321 E322 C326 L490 | Y44-A324 HydrophobicContact CE1-CB 3.84Å; L66-A324 HydrophobicContact CD1-CB 4.43Å; V321-A324 WeakPolarHBondContact O-CB 3.36Å; V321-A324 PolarHBondContact O-N 2.97Å; E322-A324 PolarHBondContact O-N 3.31Å; A324-C326 PolarHBondContact O-N 3.45Å; A324-L490 HydrophobicContact CB-CD2 4.39Å |
| 325 | F | 92.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 4% | 0.044 | 17% | 0.169 | C | C | . | . | trans | -96.8 | 79 | -178.5 | -52.1 | -66.1 | 0 | 0 | 0 | 111.6 | E322 S323 H328 P329 L451 I453 L490 E493 | E322-F325 WeakPolarHBondContact O-CD2 3.48Å; E322-F325 PolarHBondContact O-N 2.86Å; S323-F325 PolarHBondContact O-N 2.99Å; F325-H328 WeakPolarHBondContact CB-O 3.02Å; F325-P329 VanDerWaalsContact O-CA 3.23Å; F325-P329 WeakPolarHBondContact O-CA 3.43Å; F325-L451 HydrophobicContact CD1-CD1 4.06Å; F325-L451 HydrophobicContact CD1-CD2 4.06Å; F325-L451 HydrophobicContact CD2-CD2 4.27Å; F325-L451 HydrophobicContact CE1-CD1 3.66Å; F325-L451 HydrophobicContact CE1-CD2 3.92Å; F325-L451 HydrophobicContact CE1-CG 4.43Å; F325-L451 HydrophobicContact CE2-CD2 4.14Å; F325-L451 HydrophobicContact CG-CD2 4.24Å; F325-L451 HydrophobicContact CZ-CD1 4.28Å; F325-L451 HydrophobicContact CZ-CD2 3.95Å; F325-I453 HydrophobicContact CE2-CD1 4.2Å; F325-I453 HydrophobicContact CZ-CD1 3.65Å; F325-I453 HydrophobicContact CZ-CG1 4.29Å; F325-L490 HydrophobicContact CE1-CD2 4.07Å; F325-L490 HydrophobicContact CE2-CD2 4.35Å; F325-L490 HydrophobicContact CZ-CD2 3.6Å; F325-E493 VanDerWaalsContact C-OE2 3.26Å; F325-E493 WeakPolarHBondContact CA-OE2 3.05Å; F325-E493 HydrophobicContact CD1-CG 3.97Å | ||
| 326 | C | 87.1 | Confident | 94.7 | Very high | 70 Ų | 70 | 29.4 Ų | 29.4 | 47% | 0.473 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -76.9 | -41.4 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 113 | A324 E493 | A324-C326 PolarHBondContact O-N 3.45Å; C326-E493 PolarHBondContact N-OE2 2.94Å |
| 327 | A | 86.3 | Confident | 94.6 | Very high | 40 Ų | 40 | 29.3 Ų | 29.3 | 33% | 0.331 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -83.1 | -30.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I41 T42 P329 E493 | I41-A327 HydrophobicContact CG2-CB 3.75Å; T42-A327 WeakPolarHBondContact O-CB 3.43Å; A327-P329 WeakPolarHBondContact O-CD 3.45Å; A327-E493 PolarHBondContact N-OE2 2.83Å |
| 328 | H | 91 | Very high | 94.3 | Very high | 56 Ų | 56 | 29.2 Ų | 29.2 | 26% | 0.259 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -124.3 | 60.7 | 178.1 | -53.3 | 78.6 | 0 | 0 | 0 | 110.9 | F325 V474 E493 | F325-H328 WeakPolarHBondContact CB-O 3.02Å; H328-V474 WeakPolarHBondContact CE1-CG2 3.48Å; H328-V474 VanDerWaalsContact ND1-CG2 3.32Å; H328-V474 WeakPolarHBondContact ND1-CG2 3.45Å; H328-E493 WeakPolarHBondContact CB-OE1 3.5Å; H328-E493 IonicContact CE1-OE1 2.79Å; H328-E493 IonicContact CG-OE1 3.05Å; H328-E493 PolarHBondContact N-OE1 3.09Å; H328-E493 IonicContact ND1-OE1 3.97Å; H328-E493 PolarHBondContact ND1-OE1 3.37Å |
| 329 | P | 91.7 | Very high | 93.9 | Very high | 61 Ų | 61 | 30 Ų | 30 | 40% | 0.396 | 17% | 0.17 | S | C | . | . | trans | -61.8 | 144 | -179.9 | 28.3 | -35.4 | 0 | 0 | 0 | 110.3 | F325 A327 T331 | F325-P329 VanDerWaalsContact O-CA 3.23Å; F325-P329 WeakPolarHBondContact O-CA 3.43Å; A327-P329 WeakPolarHBondContact O-CD 3.45Å; P329-T331 WeakPolarHBondContact O-CG2 3.45Å; P329-T331 PolarHBondContact O-N 2.95Å | ||
| 330 | I | 94.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | trans | -74.4 | 130.2 | 176.6 | -57.9 | 179.4 | 0 | 0 | 0 | 108.5 | E322 D334 L354 K357 S359 L382 | E322-I330 HydrophobicContact CG-CB 4.21Å; E322-I330 HydrophobicContact CG-CD1 3.9Å; E322-I330 HydrophobicContact CG-CG1 4.08Å; E322-I330 PolarHBondContact OE1-N 2.99Å; I330-D334 HydrophobicContact CG2-CB 4.39Å; I330-L354 HydrophobicContact CD1-CD1 4.33Å; I330-L354 HydrophobicContact CG2-CG 4.32Å; I330-K357 HydrophobicContact CB-CG 4.26Å; I330-K357 HydrophobicContact CG2-CB 4.19Å; I330-K357 HydrophobicContact CG2-CG 4.02Å; I330-K357 WeakPolarHBondContact O-CD 3.09Å; I330-S359 WeakPolarHBondContact CG2-OG 3.34Å; I330-L382 HydrophobicContact CD1-CD2 3.72Å; I330-L382 HydrophobicContact CG1-CD2 4.02Å | ||
| 331 | T | 95.5 | Very high | 92.7 | Very high | 58 Ų | 58 | 33.3 Ų | 33.3 | 36% | 0.356 | 19% | 0.191 | S | C | . | . | trans | -124.8 | 167.7 | -177.2 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | P329 D333 D334 S359 | P329-T331 WeakPolarHBondContact O-CG2 3.45Å; P329-T331 PolarHBondContact O-N 2.95Å; T331-D333 PolarHBondContact O-N 2.89Å; T331-D333 VanDerWaalsContact O-N 3.09Å; T331-D333 PolarHBondContact OG1-N 3.5Å; T331-D334 PolarHBondContact N-OD2 2.9Å; T331-D334 WeakPolarHBondContact O-CB 3.31Å; T331-D334 PolarHBondContact O-N 3.47Å; T331-D334 VanDerWaalsContact O-N 3.11Å; T331-D334 PolarHBondContact OG1-OD2 3.42Å; T331-S359 WeakPolarHBondContact O-CB 3.33Å; T331-S359 PolarHBondContact O-OG 3.12Å | ||
| 332 | K | 95.9 | Very high | 92.3 | Very high | 101 Ų | 101 | 32.7 Ų | 32.7 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.8 | 174.2 | 67.1 | 177.7 | -176.6 | 177.6 | 0 | 114.7 | T94 K357 G358 | T94-K332 HydrophobicContact CG2-CB 4.17Å; K332-K357 WeakPolarHBondContact CB-O 3.43Å; K332-G358 WeakPolarHBondContact CA-O 3.46Å |
| 333 | D | 95.8 | Very high | 91.8 | Very high | 110 Ų | 110 | 32.5 Ų | 32.5 | 59% | 0.588 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.4 | -179.4 | -64.2 | -48.8 | 0 | 0 | 0 | 112.4 | T331 | T331-D333 PolarHBondContact O-N 2.89Å; T331-D333 VanDerWaalsContact O-N 3.09Å; T331-D333 PolarHBondContact OG1-N 3.5Å |
| 334 | D | 97.8 | Very high | 91.4 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 9% | 0.086 | 19% | 0.191 | C | C | . | . | trans | -72.3 | 149 | 178.8 | -76.4 | -65.9 | 0 | 0 | 0 | 113.3 | I330 T331 K360 T381 L382 | I330-D334 HydrophobicContact CG2-CB 4.39Å; T331-D334 PolarHBondContact N-OD2 2.9Å; T331-D334 WeakPolarHBondContact O-CB 3.31Å; T331-D334 PolarHBondContact O-N 3.47Å; T331-D334 VanDerWaalsContact O-N 3.11Å; T331-D334 PolarHBondContact OG1-OD2 3.42Å; D334-K360 PolarHBondContact O-N 3.3Å; D334-T381 WeakPolarHBondContact CA-OG1 3.5Å; D334-T381 WeakPolarHBondContact CB-OG1 3.39Å; D334-T381 VanDerWaalsContact OD1-CB 3.32Å; D334-T381 WeakPolarHBondContact OD1-CB 3.29Å; D334-T381 PolarHBondContact OD1-OG1 3.17Å; D334-L382 HydrophobicContact CB-CD1 3.71Å; D334-L382 WeakPolarHBondContact OD1-CD1 3.41Å | ||
| 335 | I | 97.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 14% | 0.138 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 119.6 | -178.3 | -52.6 | 178.1 | 0 | 0 | 0 | 108.7 | W115 K360 L378 P380 T381 L382 | W115-I335 HydrophobicContact CH2-CG2 4.04Å; I335-K360 CarbonylContact C-O 3.55Å; I335-K360 VanDerWaalsContact CA-O 3.3Å; I335-K360 WeakPolarHBondContact CA-O 3.46Å; I335-K360 HydrophobicContact CD1-CD 4.48Å; I335-K360 HydrophobicContact CG1-CB 4.14Å; I335-K360 HydrophobicContact CG1-CD 4.14Å; I335-K360 HydrophobicContact CG2-CB 4.49Å; I335-L378 HydrophobicContact CG2-CD1 3.65Å; I335-L378 HydrophobicContact CG2-CD2 4.08Å; I335-L378 HydrophobicContact CG2-CG 3.75Å; I335-P380 CarbonylContact O-C 3.47Å; I335-P380 WeakPolarHBondContact O-CA 3.41Å; I335-P380 WeakPolarHBondContact O-CB 3.31Å; I335-T381 PolarHBondContact N-OG1 3.22Å; I335-T381 PolarHBondContact O-N 3.36Å; I335-T381 PolarHBondContact O-OG1 2.73Å; I335-L382 PolarHBondContact O-N 2.92Å |
| 336 | M | 97.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 140.2 | 172.4 | -175.4 | 176.2 | 81.4 | 0 | 0 | 111.2 | M350 E351 L354 K360 I361 G362 L382 P384 | M336-M350 HydrophobicContact CE-CB 4.05Å; M336-M350 HydrophobicContact SD-CB 3.69Å; M336-M350 HydrophobicContact SD-CE 3.86Å; M336-M350 HydrophobicContact SD-CG 4.46Å; M336-E351 HydrophobicContact CE-CG 3.51Å; M336-L354 HydrophobicContact CB-CD2 3.35Å; M336-L354 HydrophobicContact CG-CD2 4.43Å; M336-L354 HydrophobicContact SD-CD1 4.12Å; M336-L354 HydrophobicContact SD-CD2 4.35Å; M336-K360 PolarHBondContact N-O 2.97Å; M336-I361 HydrophobicContact CE-CG1 4.49Å; M336-I361 HydrophobicContact CE-CG2 4.26Å; M336-G362 PolarHBondContact O-N 2.98Å; M336-L382 WeakPolarHBondContact CA-O 3.46Å; M336-L382 HydrophobicContact CB-CB 4.02Å; M336-L382 HydrophobicContact CG-CB 4.15Å; M336-P384 HydrophobicContact CG-CG 4.17Å; M336-P384 HydrophobicContact SD-CG 3.88Å |
| 337 | I | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.5 | 163.5 | -177.5 | 70.1 | 0 | 0 | 0 | 109.2 | Y339 G362 L371 D374 M375 L378 P380 L382 F383 | I337-Y339 HydrophobicContact CG1-CD1 4.49Å; I337-G362 CarbonylContact C-O 3.53Å; I337-G362 WeakPolarHBondContact CA-O 3.46Å; I337-L371 HydrophobicContact CD1-CD1 4.38Å; I337-L371 HydrophobicContact CG1-CD1 3.94Å; I337-D374 HydrophobicContact CD1-CB 4.4Å; I337-M375 HydrophobicContact CB-CG 4.42Å; I337-M375 HydrophobicContact CG1-CG 4.1Å; I337-M375 HydrophobicContact CG2-CE 4.13Å; I337-M375 HydrophobicContact CG2-CG 4.33Å; I337-M375 HydrophobicContact CG2-SD 4.39Å; I337-L378 HydrophobicContact CB-CD2 3.89Å; I337-L378 HydrophobicContact CD1-CD2 3.62Å; I337-L378 HydrophobicContact CG1-CD2 4.35Å; I337-P380 HydrophobicContact CB-CB 4.13Å; I337-P380 HydrophobicContact CB-CG 4.17Å; I337-P380 HydrophobicContact CG2-CB 4.25Å; I337-P380 HydrophobicContact CG2-CG 4.14Å; I337-L382 PolarHBondContact N-O 2.74Å; I337-F383 HydrophobicContact CG2-CB 4.34Å; I337-F383 HydrophobicContact CG2-CD2 3.43Å; I337-F383 VanDerWaalsContact CG2-CD2 3.43Å; I337-F383 HydrophobicContact CG2-CE2 4.07Å; I337-F383 HydrophobicContact CG2-CG 4.23Å |
| 338 | S | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.6 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | N151 E347 E351 G362 Y363 Y364 | N151-S338 PolarHBondContact ND2-OG 3.38Å; S338-E347 WeakPolarHBondContact CA-OE1 3.34Å; S338-E347 PolarHBondContact OG-OE1 3.27Å; S338-E347 VanDerWaalsContact OG-OE1 3.09Å; S338-E351 WeakPolarHBondContact CB-OE1 3.45Å; S338-E351 PolarHBondContact OG-OE1 3.5Å; S338-G362 PolarHBondContact N-O 2.94Å; S338-Y363 WeakPolarHBondContact O-CA 3.12Å; S338-Y363 VanDerWaalsContact OG-CD1 3.3Å; S338-Y363 WeakPolarHBondContact OG-CD1 3.39Å; S338-Y363 WeakPolarHBondContact OG-CE1 3.49Å; S338-Y364 WeakPolarHBondContact O-CD1 3.32Å; S338-Y364 PolarHBondContact O-N 3.01Å |
| 339 | Y | 89.3 | Confident | 92.2 | Very high | 15 Ų | 15 | 27.4 Ų | 27.4 | 6% | 0.059 | 15% | 0.146 | C | C | . | . | trans | -154 | -15.1 | -178.8 | 78.3 | -74.8 | 0 | 0 | 0 | 113.3 | I337 E347 L371 F383 P384 V385 L389 | I337-Y339 HydrophobicContact CG1-CD1 4.49Å; Y339-E347 PolarHBondContact N-OE1 3.13Å; Y339-L371 HydrophobicContact CD1-CD1 4.3Å; Y339-L371 HydrophobicContact CD1-CD2 4.47Å; Y339-L371 HydrophobicContact CD2-CD2 4.03Å; Y339-L371 HydrophobicContact CE1-CD2 4.48Å; Y339-L371 HydrophobicContact CE2-CD2 4.02Å; Y339-L371 HydrophobicContact CG-CD1 4.07Å; Y339-L371 HydrophobicContact CG-CD2 4.26Å; Y339-F383 HydrophobicContact CD1-CE2 4.32Å; Y339-F383 AromaticContact CE1-CD2 3.99Å; Y339-F383 HydrophobicContact CE1-CD2 3.99Å; Y339-F383 AromaticContact CE1-CE2 3.45Å; Y339-F383 HydrophobicContact CE1-CE2 3.45Å; Y339-F383 VanDerWaalsContact CE1-CE2 3.45Å; Y339-F383 AromaticContact CZ-CE2 3.85Å; Y339-P384 WeakPolarHBondContact CE1-O 3.23Å; Y339-P384 PolarHBondContact OH-O 3.42Å; Y339-V385 WeakPolarHBondContact OH-CA 3.26Å; Y339-L389 HydrophobicContact CE2-CD2 3.84Å; Y339-L389 WeakPolarHBondContact OH-CD2 3.39Å | ||
| 340 | L | 87 | Confident | 92.4 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 7% | 0.073 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -75.8 | 146.6 | 172.7 | -60.5 | 179.1 | 0 | 0 | 0 | 108.7 | N151 L342 F346 E347 P384 V386 | N151-L340 PolarHBondContact ND2-O 3.19Å; N151-L340 PolarHBondContact OD1-O 3.08Å; L340-L342 PolarHBondContact O-N 3.38Å; L340-F346 HydrophobicContact CD1-CD1 3.72Å; L340-F346 HydrophobicContact CD1-CE1 3.7Å; L340-E347 HydrophobicContact CB-CB 4.04Å; L340-E347 HydrophobicContact CB-CG 4.21Å; L340-E347 PolarHBondContact N-OE1 3.35Å; L340-E347 VanDerWaalsContact N-OE1 3.13Å; L340-E347 WeakPolarHBondContact O-CG 3.48Å; L340-P384 HydrophobicContact CD1-CB 3.97Å; L340-P384 HydrophobicContact CD1-CG 4.46Å; L340-V386 HydrophobicContact CD1-CG1 4.42Å; L340-V386 HydrophobicContact CD2-CG1 3.85Å; L340-V386 HydrophobicContact CD2-CG2 4.38Å |
| 341 | P | 83 | Confident | 92.5 | Very high | 56 Ų | 56 | 25 Ų | 25 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | trans | -61 | 126.4 | -176.5 | -21.3 | 31.7 | 0 | 0 | 0 | 112.7 | A343 H344 | P341-A343 PolarHBondContact O-N 3.29Å; P341-H344 WeakPolarHBondContact O-CB 3.39Å; P341-H344 PolarHBondContact O-N 2.91Å | ||
| 342 | L | 88 | Confident | 92.5 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.1 | 174.4 | -82.1 | 162.5 | 0 | 0 | 0 | 112.5 | N151 W165 V166 L340 H344 E347 R348 E351 Y363 | N151-L342 WeakPolarHBondContact ND2-CG 3.48Å; N151-L342 WeakPolarHBondContact OD1-CB 3.44Å; N151-L342 WeakPolarHBondContact OD1-CD1 3.4Å; N151-L342 WeakPolarHBondContact OD1-CG 3.48Å; N151-L342 PolarHBondContact OD1-N 3.44Å; W165-L342 HydrophobicContact CB-CD1 3.89Å; W165-L342 HydrophobicContact CD2-CB 3.55Å; W165-L342 HydrophobicContact CD2-CD1 3.76Å; W165-L342 HydrophobicContact CD2-CG 4.22Å; W165-L342 HydrophobicContact CE3-CB 3.69Å; W165-L342 HydrophobicContact CE3-CD1 3.58Å; W165-L342 HydrophobicContact CE3-CD2 4.3Å; W165-L342 HydrophobicContact CE3-CG 4.04Å; W165-L342 HydrophobicContact CG-CB 4.12Å; W165-L342 HydrophobicContact CG-CD1 3.91Å; W165-L342 HydrophobicContact CH2-CB 3.88Å; W165-L342 WeakPolarHBondContact CH2-O 3.49Å; W165-L342 HydrophobicContact CZ2-CB 3.73Å; W165-L342 WeakPolarHBondContact CZ2-O 3.31Å; W165-L342 HydrophobicContact CZ3-CB 3.84Å; W165-L342 HydrophobicContact CZ3-CD1 4.3Å; W165-L342 HydrophobicContact CZ3-CD2 4.19Å; W165-L342 HydrophobicContact CZ3-CG 4.32Å; V166-L342 HydrophobicContact CG2-CD1 4.33Å; L340-L342 PolarHBondContact O-N 3.38Å; L342-H344 PolarHBondContact O-N 3.1Å; L342-E347 HydrophobicContact CD2-CB 4.28Å; L342-E347 HydrophobicContact CD2-CG 3.92Å; L342-E347 HydrophobicContact CG-CG 4.22Å; L342-R348 HydrophobicContact CD2-CG 3.84Å; L342-R348 WeakPolarHBondContact O-CD 3.33Å; L342-R348 WeakPolarHBondContact O-CG 3.33Å; L342-E351 VanDerWaalsContact CD2-CD 3.49Å; L342-E351 HydrophobicContact CD2-CG 4.22Å; L342-E351 WeakPolarHBondContact CD2-OE2 3.16Å; L342-Y363 HydrophobicContact CD1-CE1 4.03Å |
| 343 | A | 83.5 | Confident | 92.5 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 7% | 0.066 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P181 Y183 P341 | P181-A343 HydrophobicContact CB-CB 3.93Å; Y183-A343 HydrophobicContact CD1-CB 3.88Å; Y183-A343 HydrophobicContact CG-CB 4.28Å; P341-A343 PolarHBondContact O-N 3.29Å |
| 344 | H | 84.4 | Confident | 92.5 | Very high | 52 Ų | 52 | 12.6 Ų | 12.6 | 24% | 0.241 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -102.1 | 136.2 | 173.4 | -60 | -43.6 | 0 | 0 | 0 | 110.4 | P341 L342 F346 E347 R348 | P341-H344 WeakPolarHBondContact O-CB 3.39Å; P341-H344 PolarHBondContact O-N 2.91Å; L342-H344 PolarHBondContact O-N 3.1Å; H344-F346 PolarHBondContact O-N 3.2Å; H344-F346 VanDerWaalsContact O-N 3.16Å; H344-E347 PolarHBondContact O-N 2.84Å; H344-R348 PolarHBondContact O-N 3.28Å |
| 345 | M | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 3% | 0.025 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.9 | -19.4 | -174.9 | -70 | -52.8 | -61.7 | 0 | 0 | 114.4 | T294 C296 L310 I315 R348 L349 T482 V485 A486 | T294-M345 HydrophobicContact CG2-SD 4.29Å; C296-M345 PolarHBondContact SG-SD 2.96Å; L310-M345 HydrophobicContact CD1-CE 3.81Å; L310-M345 HydrophobicContact CD1-CG 3.81Å; L310-M345 HydrophobicContact CD1-SD 3.75Å; I315-M345 HydrophobicContact CD1-CE 3.86Å; I315-M345 HydrophobicContact CG1-CE 3.89Å; M345-R348 HydrophobicContact CE-CB 4.3Å; M345-R348 PolarHBondContact O-N 3.07Å; M345-R348 HydrophobicContact SD-CB 4.43Å; M345-L349 VanDerWaalsContact O-CB 3.27Å; M345-L349 WeakPolarHBondContact O-CB 3.49Å; M345-L349 PolarHBondContact O-N 2.87Å; M345-T482 HydrophobicContact CG-CG2 4.1Å; M345-V485 WeakPolarHBondContact CB-O 3.44Å; M345-V485 HydrophobicContact CE-CG1 3.68Å; M345-V485 VanDerWaalsContact CG-O 3.31Å; M345-V485 WeakPolarHBondContact CG-O 3.3Å; M345-A486 HydrophobicContact CB-CB 4.07Å |
| 346 | F | 92 | Very high | 92.3 | Very high | 34 Ų | 34 | 10.7 Ų | 10.7 | 15% | 0.149 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60.6 | -51 | 176 | 178.5 | -147.8 | 0 | 0 | 0 | 111.6 | L340 H344 M350 P384 I453 | L340-F346 HydrophobicContact CD1-CD1 3.72Å; L340-F346 HydrophobicContact CD1-CE1 3.7Å; H344-F346 PolarHBondContact O-N 3.2Å; H344-F346 VanDerWaalsContact O-N 3.16Å; F346-M350 HydrophobicContact CD2-CG 4.28Å; F346-M350 HydrophobicContact CE2-CG 4.04Å; F346-M350 HydrophobicContact CE2-SD 4.44Å; F346-M350 WeakPolarHBondContact O-CG 3.46Å; F346-M350 PolarHBondContact O-N 3.42Å; F346-P384 HydrophobicContact CE1-CB 4.21Å; F346-P384 HydrophobicContact CZ-CB 3.92Å; F346-I453 HydrophobicContact CE2-CG2 3.91Å; F346-I453 HydrophobicContact CZ-CB 4.37Å; F346-I453 HydrophobicContact CZ-CG2 3.92Å |
| 347 | E | 92.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 177.2 | -166.8 | 80.3 | 143.1 | 0 | 0 | 111.1 | S338 Y339 L340 L342 H344 L349 M350 E351 P384 | S338-E347 WeakPolarHBondContact CA-OE1 3.34Å; S338-E347 PolarHBondContact OG-OE1 3.27Å; S338-E347 VanDerWaalsContact OG-OE1 3.09Å; Y339-E347 PolarHBondContact N-OE1 3.13Å; L340-E347 HydrophobicContact CB-CB 4.04Å; L340-E347 HydrophobicContact CB-CG 4.21Å; L340-E347 PolarHBondContact N-OE1 3.35Å; L340-E347 VanDerWaalsContact N-OE1 3.13Å; L340-E347 WeakPolarHBondContact O-CG 3.48Å; L342-E347 HydrophobicContact CD2-CB 4.28Å; L342-E347 HydrophobicContact CD2-CG 3.92Å; L342-E347 HydrophobicContact CG-CG 4.22Å; H344-E347 PolarHBondContact O-N 2.84Å; E347-L349 PolarHBondContact O-N 2.76Å; E347-M350 WeakPolarHBondContact O-CB 3.28Å; E347-M350 PolarHBondContact O-N 2.91Å; E347-E351 PolarHBondContact O-N 2.98Å; E347-P384 VanDerWaalsContact OE2-CG 3.28Å; E347-P384 WeakPolarHBondContact OE2-CG 3.4Å |
| 348 | R | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 12 Ų | 12 | 0% | 0.004 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 178.8 | -69.8 | 178.8 | 77.6 | 169.2 | 8.1 | 112.4 | W165 E169 Y173 N179 T294 L342 H344 M345 M350 E351 I352 | W165-R348 HydrophobicContact CH2-CG 4.13Å; W165-R348 HydrophobicContact CZ3-CG 4.41Å; E169-R348 IonicContact OE1-CZ 3.95Å; E169-R348 VanDerWaalsContact OE1-CZ 3.24Å; E169-R348 IonicContact OE1-NE 3.34Å; E169-R348 PolarHBondContact OE1-NE 2.88Å; E169-R348 IonicContact OE1-NH2 3.43Å; E169-R348 PolarHBondContact OE1-NH2 3.08Å; Y173-R348 PolarHBondContact OH-NH2 3.36Å; Y173-R348 VanDerWaalsContact OH-NH2 3.15Å; N179-R348 PolarHBondContact OD1-NH2 3.18Å; T294-R348 PolarHBondContact OG1-NH1 3.28Å; L342-R348 HydrophobicContact CD2-CG 3.84Å; L342-R348 WeakPolarHBondContact O-CD 3.33Å; L342-R348 WeakPolarHBondContact O-CG 3.33Å; H344-R348 PolarHBondContact O-N 3.28Å; M345-R348 HydrophobicContact CE-CB 4.3Å; M345-R348 PolarHBondContact O-N 3.07Å; M345-R348 HydrophobicContact SD-CB 4.43Å; R348-M350 VanDerWaalsContact C-N 3.27Å; R348-M350 PolarHBondContact O-N 3.12Å; R348-E351 PolarHBondContact O-N 2.83Å; R348-I352 HydrophobicContact CB-CD1 4.49Å; R348-I352 WeakPolarHBondContact O-CB 3.39Å; R348-I352 WeakPolarHBondContact O-CD1 3.42Å; R348-I352 WeakPolarHBondContact O-CG1 3.46Å; R348-I352 PolarHBondContact O-N 3.18Å |
| 349 | L | 96.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 12 Ų | 12 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 177.6 | -179.5 | 64.3 | 0 | 0 | 0 | 110.5 | D318 V321 M345 E347 I352 C353 V485 A486 A487 | D318-L349 HydrophobicContact CB-CD1 3.95Å; D318-L349 HydrophobicContact CB-CD2 4.44Å; D318-L349 WeakPolarHBondContact OD2-CD2 3.34Å; V321-L349 HydrophobicContact CG1-CD2 4.24Å; M345-L349 VanDerWaalsContact O-CB 3.27Å; M345-L349 WeakPolarHBondContact O-CB 3.49Å; M345-L349 PolarHBondContact O-N 2.87Å; E347-L349 PolarHBondContact O-N 2.76Å; L349-I352 PolarHBondContact O-N 3.09Å; L349-C353 WeakPolarHBondContact O-CB 3.03Å; L349-C353 PolarHBondContact O-N 3.2Å; L349-C353 PolarHBondContact O-SG 3.37Å; L349-V485 HydrophobicContact CD1-CG1 4.3Å; L349-A486 HydrophobicContact CB-CB 4.21Å; L349-A486 HydrophobicContact CD2-CB 3.91Å; L349-A487 HydrophobicContact CD2-CB 3.9Å |
| 350 | M | 95.8 | Very high | 92.8 | Very high | 16 Ų | 16 | 13.8 Ų | 13.8 | 8% | 0.079 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.1 | -51.9 | 175.7 | -70.7 | -62.2 | -59.9 | 0 | 0 | 111.6 | M336 F346 E347 R348 I352 C353 L354 L382 P384 I453 | M336-M350 HydrophobicContact CE-CB 4.05Å; M336-M350 HydrophobicContact SD-CB 3.69Å; M336-M350 HydrophobicContact SD-CE 3.86Å; M336-M350 HydrophobicContact SD-CG 4.46Å; F346-M350 HydrophobicContact CD2-CG 4.28Å; F346-M350 HydrophobicContact CE2-CG 4.04Å; F346-M350 HydrophobicContact CE2-SD 4.44Å; F346-M350 WeakPolarHBondContact O-CG 3.46Å; F346-M350 PolarHBondContact O-N 3.42Å; E347-M350 WeakPolarHBondContact O-CB 3.28Å; E347-M350 PolarHBondContact O-N 2.91Å; R348-M350 VanDerWaalsContact C-N 3.27Å; R348-M350 PolarHBondContact O-N 3.12Å; M350-I352 VanDerWaalsContact C-N 3.32Å; M350-I352 PolarHBondContact O-N 3.29Å; M350-C353 WeakPolarHBondContact O-CB 3.45Å; M350-C353 PolarHBondContact O-N 2.98Å; M350-L354 HydrophobicContact CE-CD1 4.41Å; M350-L354 WeakPolarHBondContact O-CD1 3.31Å; M350-L354 PolarHBondContact O-N 2.84Å; M350-L382 HydrophobicContact CE-CD2 4.15Å; M350-P384 HydrophobicContact CG-CB 4.29Å; M350-I453 HydrophobicContact CE-CD1 3.78Å; M350-I453 HydrophobicContact SD-CD1 3.67Å |
| 351 | E | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.009 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 179.4 | -73.4 | -163.1 | -175 | 0 | 0 | 112.2 | V166 M336 S338 L342 E347 R348 L354 M355 I361 Y363 | V166-E351 WeakPolarHBondContact CG2-OE2 3.26Å; M336-E351 HydrophobicContact CE-CG 3.51Å; S338-E351 WeakPolarHBondContact CB-OE1 3.45Å; S338-E351 PolarHBondContact OG-OE1 3.5Å; L342-E351 VanDerWaalsContact CD2-CD 3.49Å; L342-E351 HydrophobicContact CD2-CG 4.22Å; L342-E351 WeakPolarHBondContact CD2-OE2 3.16Å; E347-E351 PolarHBondContact O-N 2.98Å; R348-E351 PolarHBondContact O-N 2.83Å; E351-L354 PolarHBondContact O-N 2.97Å; E351-M355 HydrophobicContact CB-CE 4.16Å; E351-M355 VanDerWaalsContact O-CG 3.29Å; E351-M355 WeakPolarHBondContact O-CG 3.43Å; E351-M355 PolarHBondContact O-N 2.83Å; E351-I361 HydrophobicContact CB-CD1 3.8Å; E351-I361 HydrophobicContact CG-CD1 3.75Å; E351-I361 HydrophobicContact CG-CG1 4.34Å; E351-I361 HydrophobicContact CG-CG2 4.17Å; E351-Y363 WeakPolarHBondContact OE1-CE1 3.49Å; E351-Y363 PolarHBondContact OE1-OH 3.2Å; E351-Y363 VanDerWaalsContact OE1-OH 3.09Å; E351-Y363 PolarHBondContact OE2-OH 2.96Å |
| 352 | I | 94.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 179.2 | -66.7 | 166 | 0 | 0 | 0 | 111.1 | V83 A86 I315 R348 L349 M350 L354 M355 M356 | V83-I352 HydrophobicContact CG1-CD1 3.92Å; V83-I352 HydrophobicContact CG1-CG1 4.05Å; V83-I352 HydrophobicContact CG2-CD1 4.02Å; A86-I352 HydrophobicContact CB-CG2 4.26Å; I315-I352 HydrophobicContact CG2-CD1 3.4Å; I315-I352 HydrophobicContact CG2-CG2 4.37Å; R348-I352 HydrophobicContact CB-CD1 4.49Å; R348-I352 WeakPolarHBondContact O-CB 3.39Å; R348-I352 WeakPolarHBondContact O-CD1 3.42Å; R348-I352 WeakPolarHBondContact O-CG1 3.46Å; R348-I352 PolarHBondContact O-N 3.18Å; L349-I352 PolarHBondContact O-N 3.09Å; M350-I352 VanDerWaalsContact C-N 3.32Å; M350-I352 PolarHBondContact O-N 3.29Å; I352-L354 VanDerWaalsContact C-N 3.28Å; I352-L354 PolarHBondContact O-N 3.18Å; I352-M355 PolarHBondContact O-N 2.78Å; I352-M356 HydrophobicContact CG2-CE 4.17Å; I352-M356 WeakPolarHBondContact O-CG 3.45Å; I352-M356 PolarHBondContact O-N 2.91Å |
| 353 | C | 96.2 | Very high | 94 | Very high | 6 Ų | 6 | 10.4 Ų | 10.4 | 4% | 0.041 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -55.6 | -44 | 172.6 | -75 | 0 | 0 | 0 | 0 | 111.9 | L349 M350 K357 | L349-C353 WeakPolarHBondContact O-CB 3.03Å; L349-C353 PolarHBondContact O-N 3.2Å; L349-C353 PolarHBondContact O-SG 3.37Å; M350-C353 WeakPolarHBondContact O-CB 3.45Å; M350-C353 PolarHBondContact O-N 2.98Å; C353-K357 WeakPolarHBondContact O-CG 3.36Å; C353-K357 PolarHBondContact O-N 3.04Å |
| 354 | L | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -68 | -43.6 | 178 | -90.7 | 81.7 | 0 | 0 | 0 | 112.6 | I330 M336 M350 E351 I352 M356 K357 G358 S359 I361 L382 | I330-L354 HydrophobicContact CD1-CD1 4.33Å; I330-L354 HydrophobicContact CG2-CG 4.32Å; M336-L354 HydrophobicContact CB-CD2 3.35Å; M336-L354 HydrophobicContact CG-CD2 4.43Å; M336-L354 HydrophobicContact SD-CD1 4.12Å; M336-L354 HydrophobicContact SD-CD2 4.35Å; M350-L354 HydrophobicContact CE-CD1 4.41Å; M350-L354 WeakPolarHBondContact O-CD1 3.31Å; M350-L354 PolarHBondContact O-N 2.84Å; E351-L354 PolarHBondContact O-N 2.97Å; I352-L354 VanDerWaalsContact C-N 3.28Å; I352-L354 PolarHBondContact O-N 3.18Å; L354-M356 VanDerWaalsContact C-N 3.33Å; L354-M356 PolarHBondContact O-N 3.28Å; L354-K357 CarbonylContact O-C 3.57Å; L354-K357 PolarHBondContact O-N 3.38Å; L354-K357 VanDerWaalsContact O-N 3.07Å; L354-G358 PolarHBondContact O-N 3.31Å; L354-S359 PolarHBondContact O-N 2.93Å; L354-S359 PolarHBondContact O-OG 3.41Å; L354-I361 HydrophobicContact CB-CD1 4.45Å; L354-I361 HydrophobicContact CB-CG1 4.31Å; L354-I361 HydrophobicContact CD2-CG1 4.07Å; L354-L382 HydrophobicContact CD1-CD2 3.86Å |
| 355 | M | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.5 | -42 | 178.7 | -73.3 | 177.9 | -161.1 | 0 | 0 | 111.7 | A86 I87 G90 L100 V166 E351 I352 K357 G358 I361 | A86-M355 CarbonylContact O-C 3.55Å; I87-M355 HydrophobicContact CB-SD 4.27Å; I87-M355 HydrophobicContact CD1-SD 4.27Å; I87-M355 HydrophobicContact CG1-SD 4.31Å; G90-M355 WeakPolarHBondContact CA-O 3.44Å; G90-M355 PolarHBondContact N-O 3.34Å; L100-M355 HydrophobicContact CD2-CE 4.39Å; V166-M355 HydrophobicContact CB-CE 4.45Å; V166-M355 HydrophobicContact CG1-CE 3.56Å; V166-M355 HydrophobicContact CG2-CE 3.98Å; E351-M355 HydrophobicContact CB-CE 4.16Å; E351-M355 VanDerWaalsContact O-CG 3.29Å; E351-M355 WeakPolarHBondContact O-CG 3.43Å; E351-M355 PolarHBondContact O-N 2.83Å; I352-M355 PolarHBondContact O-N 2.78Å; M355-K357 PolarHBondContact O-N 3.34Å; M355-G358 PolarHBondContact O-N 2.73Å; M355-G358 VanDerWaalsContact O-N 3.1Å; M355-I361 HydrophobicContact CE-CD1 3.71Å; M355-I361 HydrophobicContact CG-CD1 4.14Å |
| 356 | M | 95.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -60.7 | -27.2 | 175.6 | -69.9 | -172.8 | -71 | 0 | 0 | 113.5 | Y77 V80 A86 R89 I352 L354 | Y77-M356 HydrophobicContact CE2-CB 4.46Å; V80-M356 HydrophobicContact CB-SD 4.47Å; V80-M356 HydrophobicContact CG1-CG 3.97Å; V80-M356 HydrophobicContact CG1-SD 3.63Å; A86-M356 HydrophobicContact CB-CG 3.37Å; A86-M356 HydrophobicContact CB-SD 4.37Å; R89-M356 VanDerWaalsContact CD-O 3.28Å; R89-M356 WeakPolarHBondContact CD-O 3.44Å; R89-M356 WeakPolarHBondContact CG-O 3.29Å; R89-M356 PolarHBondContact NE-O 2.97Å; I352-M356 HydrophobicContact CG2-CE 4.17Å; I352-M356 WeakPolarHBondContact O-CG 3.45Å; I352-M356 PolarHBondContact O-N 2.91Å; L354-M356 VanDerWaalsContact C-N 3.33Å; L354-M356 PolarHBondContact O-N 3.28Å |
| 357 | K | 96 | Very high | 93.2 | Very high | 28 Ų | 28 | 9.6 Ų | 9.6 | 12% | 0.122 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -92 | -10.9 | 179 | -64.3 | -69.4 | -176.3 | 155.4 | 0 | 113.2 | Y77 E322 I330 K332 C353 L354 M355 S359 | Y77-K357 HydrophobicContact CE2-CD 4.45Å; Y77-K357 WeakPolarHBondContact OH-CD 3.23Å; Y77-K357 VanDerWaalsContact OH-CE 3.24Å; Y77-K357 WeakPolarHBondContact OH-CE 3.16Å; Y77-K357 PolarHBondContact OH-NZ 3.25Å; E322-K357 VanDerWaalsContact OE1-CE 3.27Å; E322-K357 WeakPolarHBondContact OE1-CE 3.2Å; E322-K357 IonicContact OE1-NZ 2.69Å; E322-K357 PolarHBondContact OE1-NZ 3.28Å; E322-K357 WeakPolarHBondContact OE2-CE 3.27Å; E322-K357 IonicContact OE2-NZ 3.57Å; E322-K357 PolarHBondContact OE2-NZ 3.15Å; I330-K357 HydrophobicContact CB-CG 4.26Å; I330-K357 HydrophobicContact CG2-CB 4.19Å; I330-K357 HydrophobicContact CG2-CG 4.02Å; I330-K357 WeakPolarHBondContact O-CD 3.09Å; K332-K357 WeakPolarHBondContact CB-O 3.43Å; C353-K357 WeakPolarHBondContact O-CG 3.36Å; C353-K357 PolarHBondContact O-N 3.04Å; L354-K357 CarbonylContact O-C 3.57Å; L354-K357 PolarHBondContact O-N 3.38Å; L354-K357 VanDerWaalsContact O-N 3.07Å; M355-K357 PolarHBondContact O-N 3.34Å; K357-S359 VanDerWaalsContact C-N 3.33Å |
| 358 | G | 97 | Very high | 92.7 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 21.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T94 Y118 K332 L354 M355 | T94-G358 VanDerWaalsContact CG2-CA 3.48Å; T94-G358 WeakPolarHBondContact CG2-O 3.49Å; Y118-G358 VanDerWaalsContact OH-C 3.23Å; Y118-G358 VanDerWaalsContact OH-CA 3.27Å; Y118-G358 WeakPolarHBondContact OH-CA 2.83Å; K332-G358 WeakPolarHBondContact CA-O 3.46Å; L354-G358 PolarHBondContact O-N 3.31Å; M355-G358 PolarHBondContact O-N 2.73Å; M355-G358 VanDerWaalsContact O-N 3.1Å |
| 359 | S | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -73.6 | 178.3 | 178 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | Y118 I330 T331 L354 K357 | Y118-S359 PolarHBondContact OH-N 3.33Å; Y118-S359 PolarHBondContact OH-O 2.93Å; I330-S359 WeakPolarHBondContact CG2-OG 3.34Å; T331-S359 WeakPolarHBondContact O-CB 3.33Å; T331-S359 PolarHBondContact O-OG 3.12Å; L354-S359 PolarHBondContact O-N 2.93Å; L354-S359 PolarHBondContact O-OG 3.41Å; K357-S359 VanDerWaalsContact C-N 3.33Å | ||
| 360 | K | 97.1 | Very high | 91.6 | Very high | 51 Ų | 51 | 26 Ų | 26 | 22% | 0.222 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.4 | -175.2 | -55.7 | 175.3 | -155.4 | 171.4 | 0 | 110.5 | P98 W115 D334 I335 M336 | P98-K360 HydrophobicContact CB-CD 4.29Å; P98-K360 HydrophobicContact CB-CG 4.43Å; P98-K360 HydrophobicContact CG-CD 3.62Å; P98-K360 HydrophobicContact CG-CG 4.01Å; W115-K360 HydrophobicContact CE3-CB 4.39Å; W115-K360 HydrophobicContact CH2-CB 3.77Å; W115-K360 HydrophobicContact CZ3-CB 3.56Å; W115-K360 HydrophobicContact CZ3-CG 4.38Å; D334-K360 PolarHBondContact O-N 3.3Å; I335-K360 CarbonylContact C-O 3.55Å; I335-K360 VanDerWaalsContact CA-O 3.3Å; I335-K360 WeakPolarHBondContact CA-O 3.46Å; I335-K360 HydrophobicContact CD1-CD 4.48Å; I335-K360 HydrophobicContact CG1-CB 4.14Å; I335-K360 HydrophobicContact CG1-CD 4.14Å; I335-K360 HydrophobicContact CG2-CB 4.49Å; M336-K360 PolarHBondContact N-O 2.97Å |
| 361 | I | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 110.7 | 178.5 | -59.6 | 158.2 | 0 | 0 | 0 | 107.9 | C99 L100 G101 M336 E351 L354 M355 Y363 | C99-I361 PolarHBondContact O-N 3.07Å; L100-I361 CarbonylContact C-O 3.42Å; L100-I361 WeakPolarHBondContact CA-O 3.19Å; L100-I361 HydrophobicContact CD2-CB 4.04Å; L100-I361 HydrophobicContact CD2-CD1 4.03Å; G101-I361 PolarHBondContact N-O 2.77Å; M336-I361 HydrophobicContact CE-CG1 4.49Å; M336-I361 HydrophobicContact CE-CG2 4.26Å; E351-I361 HydrophobicContact CB-CD1 3.8Å; E351-I361 HydrophobicContact CG-CD1 3.75Å; E351-I361 HydrophobicContact CG-CG1 4.34Å; E351-I361 HydrophobicContact CG-CG2 4.17Å; L354-I361 HydrophobicContact CB-CD1 4.45Å; L354-I361 HydrophobicContact CB-CG1 4.31Å; L354-I361 HydrophobicContact CD2-CG1 4.07Å; M355-I361 HydrophobicContact CE-CD1 3.71Å; M355-I361 HydrophobicContact CG-CD1 4.14Å; I361-Y363 HydrophobicContact CG2-CE1 4.44Å; I361-Y363 HydrophobicContact CG2-CE2 4.09Å |
| 362 | G | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G101 M336 I337 S338 | G101-G362 WeakPolarHBondContact O-CA 3.35Å; M336-G362 PolarHBondContact O-N 2.98Å; I337-G362 CarbonylContact C-O 3.53Å; I337-G362 WeakPolarHBondContact CA-O 3.46Å; S338-G362 PolarHBondContact N-O 2.94Å |
| 363 | Y | 92.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 139.8 | 178.4 | -66.2 | -85.6 | 0 | 0 | 0 | 112.1 | L100 G101 Y113 P153 L164 V166 S338 L342 E351 I361 | L100-Y363 HydrophobicContact CB-CE2 4.22Å; L100-Y363 HydrophobicContact CD2-CE2 4.08Å; G101-Y363 WeakPolarHBondContact O-CD2 3.35Å; G101-Y363 PolarHBondContact O-N 3.46Å; Y113-Y363 WeakPolarHBondContact CE1-O 3.3Å; Y113-Y363 PolarHBondContact OH-O 2.83Å; P153-Y363 HydrophobicContact CB-CD2 4.23Å; P153-Y363 HydrophobicContact CB-CG 4.2Å; P153-Y363 HydrophobicContact CG-CG 4.49Å; L164-Y363 HydrophobicContact CD2-CD2 3.85Å; L164-Y363 HydrophobicContact CD2-CE2 3.82Å; V166-Y363 WeakPolarHBondContact CG2-OH 3.35Å; S338-Y363 WeakPolarHBondContact O-CA 3.12Å; S338-Y363 VanDerWaalsContact OG-CD1 3.3Å; S338-Y363 WeakPolarHBondContact OG-CD1 3.39Å; S338-Y363 WeakPolarHBondContact OG-CE1 3.49Å; L342-Y363 HydrophobicContact CD1-CE1 4.03Å; E351-Y363 WeakPolarHBondContact OE1-CE1 3.49Å; E351-Y363 PolarHBondContact OE1-OH 3.2Å; E351-Y363 VanDerWaalsContact OE1-OH 3.09Å; E351-Y363 PolarHBondContact OE2-OH 2.96Å; I361-Y363 HydrophobicContact CG2-CE1 4.44Å; I361-Y363 HydrophobicContact CG2-CE2 4.09Å |
| 364 | Y | 90.6 | Very high | 90.7 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 165.9 | 172 | 82.6 | -47.6 | 0 | 0 | 0 | 113.1 | N151 P153 S338 G366 V368 | N151-Y364 HydrophobicContact CB-CE1 4.03Å; N151-Y364 WeakPolarHBondContact O-CE1 3.39Å; N151-Y364 PolarHBondContact O-OH 3.2Å; P153-Y364 WeakPolarHBondContact CD-O 3.37Å; S338-Y364 WeakPolarHBondContact O-CD1 3.32Å; S338-Y364 PolarHBondContact O-N 3.01Å; Y364-G366 VanDerWaalsContact CE2-CA 3.49Å; Y364-G366 VanDerWaalsContact CZ-CA 3.48Å; Y364-G366 PolarHBondContact O-N 2.91Å; Y364-V368 HydrophobicContact CE2-CG2 3.91Å |
| 365 | S | 85.8 | Confident | 90.6 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 8% | 0.077 | 15% | 0.152 | C | C | . | . | trans | -72.7 | 10.4 | -177.7 | 61.2 | 0 | 0 | 0 | 0 | 115.4 | D367 D374 | S365-D367 VanDerWaalsContact C-N 3.31Å; S365-D367 PolarHBondContact O-N 3.08Å; S365-D374 WeakPolarHBondContact CB-OD1 3.22Å; S365-D374 WeakPolarHBondContact CB-OD2 3.29Å; S365-D374 PolarHBondContact N-OD2 3.18Å; S365-D374 PolarHBondContact OG-OD1 2.76Å; S365-D374 PolarHBondContact OG-OD2 3.34Å | ||
| 366 | G | 79.1 | Confident | 90.6 | Very high | 15 Ų | 15 | 34 Ų | 34 | 16% | 0.155 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 81.7 | 1.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R150 Y364 | R150-G366 PolarHBondContact NH1-O 2.86Å; Y364-G366 VanDerWaalsContact CE2-CA 3.49Å; Y364-G366 VanDerWaalsContact CZ-CA 3.48Å; Y364-G366 PolarHBondContact O-N 2.91Å |
| 367 | D | 80.7 | Confident | 90.6 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 19% | 0.193 | 18% | 0.184 | C | C | . | . | trans | -130.6 | 109 | 175.7 | -174.5 | -8 | 0 | 0 | 0 | 111 | S365 R369 K370 | S365-D367 VanDerWaalsContact C-N 3.31Å; S365-D367 PolarHBondContact O-N 3.08Å; D367-R369 PolarHBondContact O-N 3.48Å; D367-R369 VanDerWaalsContact OD1-CB 3.26Å; D367-R369 WeakPolarHBondContact OD1-CB 3.46Å; D367-R369 WeakPolarHBondContact OD1-CG 3.44Å; D367-R369 IonicContact OD1-CZ 3.51Å; D367-R369 PolarHBondContact OD1-N 2.73Å; D367-R369 IonicContact OD1-NE 3.92Å; D367-R369 PolarHBondContact OD1-NE 2.9Å; D367-R369 IonicContact OD1-NH2 2.87Å; D367-R369 IonicContact OD2-CZ 2.76Å; D367-R369 VanDerWaalsContact OD2-CZ 3.32Å; D367-R369 IonicContact OD2-NE 2.76Å; D367-R369 PolarHBondContact OD2-NE 3.02Å; D367-R369 VanDerWaalsContact OD2-NE 3.11Å; D367-R369 IonicContact OD2-NH2 3.6Å; D367-R369 PolarHBondContact OD2-NH2 3.06Å; D367-K370 HydrophobicContact CB-CD 4.33Å; D367-K370 HydrophobicContact CB-CG 4.34Å; D367-K370 WeakPolarHBondContact O-CB 3.15Å; D367-K370 PolarHBondContact O-N 2.84Å | ||
| 368 | V | 80.5 | Confident | 90.5 | Very high | 65 Ų | 65 | 35.4 Ų | 35.4 | 39% | 0.394 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -59.4 | -22.9 | -179.2 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | Y364 K370 L371 | Y364-V368 HydrophobicContact CE2-CG2 3.91Å; V368-K370 PolarHBondContact O-N 3.4Å; V368-L371 HydrophobicContact CG1-CD2 4.49Å; V368-L371 WeakPolarHBondContact O-CB 3.32Å; V368-L371 PolarHBondContact O-N 2.89Å |
| 369 | R | 80.9 | Confident | 90.5 | Very high | 194 Ų | 194 | 41.1 Ų | 41.1 | 73% | 0.732 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -66.6 | -23.7 | 174.7 | -60.5 | 171 | -66.7 | -173.6 | 2.4 | 112.5 | D367 | D367-R369 PolarHBondContact O-N 3.48Å; D367-R369 VanDerWaalsContact OD1-CB 3.26Å; D367-R369 WeakPolarHBondContact OD1-CB 3.46Å; D367-R369 WeakPolarHBondContact OD1-CG 3.44Å; D367-R369 IonicContact OD1-CZ 3.51Å; D367-R369 PolarHBondContact OD1-N 2.73Å; D367-R369 IonicContact OD1-NE 3.92Å; D367-R369 PolarHBondContact OD1-NE 2.9Å; D367-R369 IonicContact OD1-NH2 2.87Å; D367-R369 IonicContact OD2-CZ 2.76Å; D367-R369 VanDerWaalsContact OD2-CZ 3.32Å; D367-R369 IonicContact OD2-NE 2.76Å; D367-R369 PolarHBondContact OD2-NE 3.02Å; D367-R369 VanDerWaalsContact OD2-NE 3.11Å; D367-R369 IonicContact OD2-NH2 3.6Å; D367-R369 PolarHBondContact OD2-NH2 3.06Å |
| 370 | K | 87 | Confident | 90.5 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -98.1 | 5.9 | 177.6 | -60.2 | -178.1 | -177.1 | 175.5 | 0 | 112.9 | D367 V368 A372 D373 D374 | D367-K370 HydrophobicContact CB-CD 4.33Å; D367-K370 HydrophobicContact CB-CG 4.34Å; D367-K370 WeakPolarHBondContact O-CB 3.15Å; D367-K370 PolarHBondContact O-N 2.84Å; V368-K370 PolarHBondContact O-N 3.4Å; K370-A372 VanDerWaalsContact C-N 3.25Å; K370-A372 PolarHBondContact O-N 3.42Å; K370-D373 WeakPolarHBondContact O-CA 2.95Å; K370-D373 WeakPolarHBondContact O-CB 3.48Å; K370-D373 PolarHBondContact O-N 2.96Å; K370-D374 PolarHBondContact O-N 3.47Å |
| 371 | L | 89.3 | Confident | 90.6 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.3 | -36.8 | -175.1 | -175.8 | 62.8 | 0 | 0 | 0 | 112.9 | I337 Y339 V368 D373 D374 M375 F383 L389 | I337-L371 HydrophobicContact CD1-CD1 4.38Å; I337-L371 HydrophobicContact CG1-CD1 3.94Å; Y339-L371 HydrophobicContact CD1-CD1 4.3Å; Y339-L371 HydrophobicContact CD1-CD2 4.47Å; Y339-L371 HydrophobicContact CD2-CD2 4.03Å; Y339-L371 HydrophobicContact CE1-CD2 4.48Å; Y339-L371 HydrophobicContact CE2-CD2 4.02Å; Y339-L371 HydrophobicContact CG-CD1 4.07Å; Y339-L371 HydrophobicContact CG-CD2 4.26Å; V368-L371 HydrophobicContact CG1-CD2 4.49Å; V368-L371 WeakPolarHBondContact O-CB 3.32Å; V368-L371 PolarHBondContact O-N 2.89Å; L371-D373 VanDerWaalsContact C-N 3.35Å; L371-D373 PolarHBondContact O-N 3.34Å; L371-D374 WeakPolarHBondContact O-CB 3.46Å; L371-D374 PolarHBondContact O-N 2.74Å; L371-M375 HydrophobicContact CD1-CG 4.33Å; L371-M375 HydrophobicContact CD1-SD 4.49Å; L371-M375 HydrophobicContact CG-CG 4.41Å; L371-M375 HydrophobicContact CG-SD 4.13Å; L371-M375 WeakPolarHBondContact O-CB 3.41Å; L371-M375 VanDerWaalsContact O-CG 3.29Å; L371-M375 WeakPolarHBondContact O-CG 3.44Å; L371-M375 PolarHBondContact O-N 2.82Å; L371-F383 HydrophobicContact CD2-CE2 4.43Å; L371-L389 HydrophobicContact CD2-CD2 3.59Å |
| 372 | A | 89.9 | Confident | 90.7 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 26% | 0.264 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | K370 D374 M375 K376 | K370-A372 VanDerWaalsContact C-N 3.25Å; K370-A372 PolarHBondContact O-N 3.42Å; A372-D374 VanDerWaalsContact C-N 3.32Å; A372-D374 PolarHBondContact O-N 3.01Å; A372-M375 PolarHBondContact O-N 2.98Å; A372-K376 WeakPolarHBondContact O-CB 3.47Å; A372-K376 VanDerWaalsContact O-CG 3.29Å; A372-K376 WeakPolarHBondContact O-CG 3.36Å; A372-K376 PolarHBondContact O-N 2.91Å |
| 373 | D | 91.7 | Very high | 90.8 | Very high | 87 Ų | 87 | 39.6 Ų | 39.6 | 47% | 0.465 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.9 | -32.3 | 176.2 | -64.7 | -26.3 | 0 | 0 | 0 | 112.1 | R103 K370 L371 K376 A377 | R103-D373 PolarHBondContact NH1-O 3.19Å; K370-D373 WeakPolarHBondContact O-CA 2.95Å; K370-D373 WeakPolarHBondContact O-CB 3.48Å; K370-D373 PolarHBondContact O-N 2.96Å; L371-D373 VanDerWaalsContact C-N 3.35Å; L371-D373 PolarHBondContact O-N 3.34Å; D373-K376 IonicContact OD1-NZ 3.94Å; D373-A377 WeakPolarHBondContact O-CB 3.03Å; D373-A377 PolarHBondContact O-N 3.12Å |
| 374 | D | 92.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 171.9 | -69 | -38.3 | 0 | 0 | 0 | 112.1 | R103 I337 S365 K370 L371 A372 A377 L378 | R103-D374 IonicContact CZ-OD1 3.12Å; R103-D374 IonicContact NE-OD1 3.4Å; R103-D374 VanDerWaalsContact NH1-CA 3.34Å; R103-D374 IonicContact NH1-OD1 3.41Å; R103-D374 PolarHBondContact NH1-OD1 2.8Å; I337-D374 HydrophobicContact CD1-CB 4.4Å; S365-D374 WeakPolarHBondContact CB-OD1 3.22Å; S365-D374 WeakPolarHBondContact CB-OD2 3.29Å; S365-D374 PolarHBondContact N-OD2 3.18Å; S365-D374 PolarHBondContact OG-OD1 2.76Å; S365-D374 PolarHBondContact OG-OD2 3.34Å; K370-D374 PolarHBondContact O-N 3.47Å; L371-D374 WeakPolarHBondContact O-CB 3.46Å; L371-D374 PolarHBondContact O-N 2.74Å; A372-D374 VanDerWaalsContact C-N 3.32Å; A372-D374 PolarHBondContact O-N 3.01Å; D374-A377 PolarHBondContact O-N 3.45Å; D374-L378 VanDerWaalsContact O-CB 3.3Å; D374-L378 WeakPolarHBondContact O-CB 3.22Å; D374-L378 PolarHBondContact O-N 3.41Å |
| 375 | M | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71 | -35.5 | 178.2 | -68 | 179.8 | 76.6 | 0 | 0 | 112.4 | I337 L371 A372 A377 L378 K379 P380 F383 F445 L449 | I337-M375 HydrophobicContact CB-CG 4.42Å; I337-M375 HydrophobicContact CG1-CG 4.1Å; I337-M375 HydrophobicContact CG2-CE 4.13Å; I337-M375 HydrophobicContact CG2-CG 4.33Å; I337-M375 HydrophobicContact CG2-SD 4.39Å; L371-M375 HydrophobicContact CD1-CG 4.33Å; L371-M375 HydrophobicContact CD1-SD 4.49Å; L371-M375 HydrophobicContact CG-CG 4.41Å; L371-M375 HydrophobicContact CG-SD 4.13Å; L371-M375 WeakPolarHBondContact O-CB 3.41Å; L371-M375 VanDerWaalsContact O-CG 3.29Å; L371-M375 WeakPolarHBondContact O-CG 3.44Å; L371-M375 PolarHBondContact O-N 2.82Å; A372-M375 PolarHBondContact O-N 2.98Å; M375-A377 VanDerWaalsContact C-N 3.3Å; M375-A377 PolarHBondContact O-N 2.71Å; M375-L378 PolarHBondContact O-N 3.43Å; M375-K379 WeakPolarHBondContact O-CA 3.41Å; M375-K379 PolarHBondContact O-N 3.04Å; M375-P380 HydrophobicContact CB-CG 4.31Å; M375-P380 HydrophobicContact CE-CG 3.74Å; M375-P380 HydrophobicContact CG-CG 4.19Å; M375-P380 WeakPolarHBondContact O-CD 3.49Å; M375-F383 HydrophobicContact CE-CB 4.3Å; M375-F383 HydrophobicContact CE-CD1 3.85Å; M375-F383 HydrophobicContact CE-CD2 3.96Å; M375-F383 HydrophobicContact CE-CE1 4.06Å; M375-F383 HydrophobicContact CE-CE2 4.13Å; M375-F383 HydrophobicContact CE-CG 3.8Å; M375-F383 HydrophobicContact CE-CZ 4.19Å; M375-F383 HydrophobicContact SD-CD2 4.41Å; M375-F383 HydrophobicContact SD-CE1 4.4Å; M375-F383 HydrophobicContact SD-CE2 4.03Å; M375-F383 HydrophobicContact SD-CZ 4.03Å; M375-F445 HydrophobicContact CE-CB 4.08Å; M375-F445 HydrophobicContact CE-CD1 3.87Å; M375-F445 HydrophobicContact CE-CG 4.48Å; M375-F445 HydrophobicContact SD-CD1 3.71Å; M375-F445 HydrophobicContact SD-CE1 4.46Å; M375-L449 HydrophobicContact CE-CD1 4.08Å; M375-L449 HydrophobicContact CE-CD2 4.19Å |
| 376 | K | 94.4 | Very high | 90.9 | Very high | 68 Ų | 68 | 40 Ų | 40 | 30% | 0.296 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58 | -42.8 | 170.9 | -79.4 | 172.6 | -170.7 | 169.9 | 0 | 112.2 | A372 D373 K379 A443 E444 | A372-K376 WeakPolarHBondContact O-CB 3.47Å; A372-K376 VanDerWaalsContact O-CG 3.29Å; A372-K376 WeakPolarHBondContact O-CG 3.36Å; A372-K376 PolarHBondContact O-N 2.91Å; D373-K376 IonicContact OD1-NZ 3.94Å; K376-K379 WeakPolarHBondContact O-CG 3.36Å; K376-A443 WeakPolarHBondContact CG-O 3.45Å; K376-E444 VanDerWaalsContact CE-CA 3.48Å; K376-E444 VanDerWaalsContact CE-OE1 3.3Å; K376-E444 WeakPolarHBondContact CE-OE1 3.46Å; K376-E444 WeakPolarHBondContact CE-OE2 3.26Å; K376-E444 IonicContact NZ-OE1 3.54Å; K376-E444 PolarHBondContact NZ-OE1 3.34Å; K376-E444 IonicContact NZ-OE2 3Å; K376-E444 PolarHBondContact NZ-OE2 3.39Å |
| 377 | A | 94.4 | Very high | 90.9 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 40% | 0.397 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -74.4 | -41.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y113 D373 D374 M375 | Y113-A377 HydrophobicContact CD2-CB 4.15Å; Y113-A377 HydrophobicContact CE2-CB 4.01Å; D373-A377 WeakPolarHBondContact O-CB 3.03Å; D373-A377 PolarHBondContact O-N 3.12Å; D374-A377 PolarHBondContact O-N 3.45Å; M375-A377 VanDerWaalsContact C-N 3.3Å; M375-A377 PolarHBondContact O-N 2.71Å |
| 378 | L | 95.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -75.9 | -37.6 | -177.6 | -173 | 57.7 | 0 | 0 | 0 | 113 | Y113 W115 I335 I337 D374 M375 P380 | Y113-L378 HydrophobicContact CD1-CD1 3.83Å; Y113-L378 HydrophobicContact CD2-CB 4.06Å; Y113-L378 HydrophobicContact CD2-CD1 4.03Å; Y113-L378 HydrophobicContact CE1-CB 4.48Å; Y113-L378 HydrophobicContact CE1-CD1 3.76Å; Y113-L378 HydrophobicContact CE1-CD2 4.39Å; Y113-L378 HydrophobicContact CE1-CG 4.43Å; Y113-L378 HydrophobicContact CE2-CB 3.42Å; Y113-L378 VanDerWaalsContact CE2-CB 3.42Å; Y113-L378 HydrophobicContact CE2-CD1 3.96Å; Y113-L378 HydrophobicContact CE2-CG 4.19Å; Y113-L378 HydrophobicContact CG-CD1 3.97Å; W115-L378 HydrophobicContact CH2-CD1 3.85Å; W115-L378 HydrophobicContact CZ2-CD1 3.69Å; I335-L378 HydrophobicContact CG2-CD1 3.65Å; I335-L378 HydrophobicContact CG2-CD2 4.08Å; I335-L378 HydrophobicContact CG2-CG 3.75Å; I337-L378 HydrophobicContact CB-CD2 3.89Å; I337-L378 HydrophobicContact CD1-CD2 3.62Å; I337-L378 HydrophobicContact CG1-CD2 4.35Å; D374-L378 VanDerWaalsContact O-CB 3.3Å; D374-L378 WeakPolarHBondContact O-CB 3.22Å; D374-L378 PolarHBondContact O-N 3.41Å; M375-L378 PolarHBondContact O-N 3.43Å; L378-P380 HydrophobicContact CD2-CB 4.21Å; L378-P380 HydrophobicContact CG-CB 4.46Å |
| 379 | K | 97 | Very high | 90.8 | Very high | 121 Ų | 121 | 43.9 Ų | 43.9 | 53% | 0.526 | 21% | 0.208 | S | C | . | . | trans | 51.3 | 60.3 | -168.5 | -56.4 | -177.9 | -179.7 | 177.8 | 0 | 112.1 | M375 K376 N448 | M375-K379 WeakPolarHBondContact O-CA 3.41Å; M375-K379 PolarHBondContact O-N 3.04Å; K376-K379 WeakPolarHBondContact O-CG 3.36Å; K379-N448 HydrophobicContact CB-CB 4.03Å; K379-N448 WeakPolarHBondContact O-CB 3.32Å; K379-N448 PolarHBondContact O-ND2 3.29Å | ||
| 380 | P | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -64.7 | 151.1 | -176.7 | 29.9 | -34.2 | 0 | 0 | 0 | 111.4 | I335 I337 M375 L378 N448 L449 | I335-P380 CarbonylContact O-C 3.47Å; I335-P380 WeakPolarHBondContact O-CA 3.41Å; I335-P380 WeakPolarHBondContact O-CB 3.31Å; I337-P380 HydrophobicContact CB-CB 4.13Å; I337-P380 HydrophobicContact CB-CG 4.17Å; I337-P380 HydrophobicContact CG2-CB 4.25Å; I337-P380 HydrophobicContact CG2-CG 4.14Å; M375-P380 HydrophobicContact CB-CG 4.31Å; M375-P380 HydrophobicContact CE-CG 3.74Å; M375-P380 HydrophobicContact CG-CG 4.19Å; M375-P380 WeakPolarHBondContact O-CD 3.49Å; L378-P380 HydrophobicContact CD2-CB 4.21Å; L378-P380 HydrophobicContact CG-CB 4.46Å; P380-N448 CarbonylContact O-C 3.54Å; P380-L449 HydrophobicContact CB-CD2 4.35Å; P380-L449 HydrophobicContact CG-CD2 3.99Å; P380-L449 WeakPolarHBondContact O-CD2 3.34Å; P380-L449 PolarHBondContact O-N 2.96Å | ||
| 381 | T | 97.8 | Very high | 90.6 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -93.4 | -32.3 | 167.8 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | D334 I335 N448 S450 L451 | D334-T381 WeakPolarHBondContact CA-OG1 3.5Å; D334-T381 WeakPolarHBondContact CB-OG1 3.39Å; D334-T381 VanDerWaalsContact OD1-CB 3.32Å; D334-T381 WeakPolarHBondContact OD1-CB 3.29Å; D334-T381 PolarHBondContact OD1-OG1 3.17Å; I335-T381 PolarHBondContact N-OG1 3.22Å; I335-T381 PolarHBondContact O-N 3.36Å; I335-T381 PolarHBondContact O-OG1 2.73Å; T381-N448 WeakPolarHBondContact CA-O 3.5Å; T381-N448 VanDerWaalsContact CG2-ND2 3.3Å; T381-N448 WeakPolarHBondContact CG2-ND2 3.39Å; T381-S450 PolarHBondContact O-N 2.88Å; T381-S450 PolarHBondContact O-OG 2.88Å; T381-L451 PolarHBondContact O-N 3.36Å; T381-L451 VanDerWaalsContact O-N 3.16Å |
| 382 | L | 97.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 138 | 178.7 | -77.4 | 72.6 | 0 | 0 | 0 | 111.7 | I330 D334 I335 M336 I337 M350 L354 L451 | I330-L382 HydrophobicContact CD1-CD2 3.72Å; I330-L382 HydrophobicContact CG1-CD2 4.02Å; D334-L382 HydrophobicContact CB-CD1 3.71Å; D334-L382 WeakPolarHBondContact OD1-CD1 3.41Å; I335-L382 PolarHBondContact O-N 2.92Å; M336-L382 WeakPolarHBondContact CA-O 3.46Å; M336-L382 HydrophobicContact CB-CB 4.02Å; M336-L382 HydrophobicContact CG-CB 4.15Å; I337-L382 PolarHBondContact N-O 2.74Å; M350-L382 HydrophobicContact CE-CD2 4.15Å; L354-L382 HydrophobicContact CD1-CD2 3.86Å; L382-L451 WeakPolarHBondContact CA-O 3.27Å; L382-L451 HydrophobicContact CD2-CD2 4.3Å; L382-L451 HydrophobicContact CG-CB 4.28Å; L382-L451 HydrophobicContact CG-CD2 4.32Å |
| 383 | F | 96.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 96.4 | 178.5 | -179.8 | -148 | 0 | 0 | 0 | 111.9 | I337 Y339 L371 M375 V385 L389 L449 L451 I452 I453 | I337-F383 HydrophobicContact CG2-CB 4.34Å; I337-F383 HydrophobicContact CG2-CD2 3.43Å; I337-F383 VanDerWaalsContact CG2-CD2 3.43Å; I337-F383 HydrophobicContact CG2-CE2 4.07Å; I337-F383 HydrophobicContact CG2-CG 4.23Å; Y339-F383 HydrophobicContact CD1-CE2 4.32Å; Y339-F383 AromaticContact CE1-CD2 3.99Å; Y339-F383 HydrophobicContact CE1-CD2 3.99Å; Y339-F383 AromaticContact CE1-CE2 3.45Å; Y339-F383 HydrophobicContact CE1-CE2 3.45Å; Y339-F383 VanDerWaalsContact CE1-CE2 3.45Å; Y339-F383 AromaticContact CZ-CE2 3.85Å; L371-F383 HydrophobicContact CD2-CE2 4.43Å; M375-F383 HydrophobicContact CE-CB 4.3Å; M375-F383 HydrophobicContact CE-CD1 3.85Å; M375-F383 HydrophobicContact CE-CD2 3.96Å; M375-F383 HydrophobicContact CE-CE1 4.06Å; M375-F383 HydrophobicContact CE-CE2 4.13Å; M375-F383 HydrophobicContact CE-CG 3.8Å; M375-F383 HydrophobicContact CE-CZ 4.19Å; M375-F383 HydrophobicContact SD-CD2 4.41Å; M375-F383 HydrophobicContact SD-CE1 4.4Å; M375-F383 HydrophobicContact SD-CE2 4.03Å; M375-F383 HydrophobicContact SD-CZ 4.03Å; F383-V385 HydrophobicContact CD1-CB 4.43Å; F383-V385 HydrophobicContact CE1-CB 4.21Å; F383-V385 HydrophobicContact CE1-CG2 3.92Å; F383-V385 HydrophobicContact CE2-CB 4.47Å; F383-V385 HydrophobicContact CE2-CG2 4.39Å; F383-V385 HydrophobicContact CZ-CB 4.24Å; F383-V385 HydrophobicContact CZ-CG2 3.8Å; F383-L389 HydrophobicContact CE2-CD2 4.44Å; F383-L389 HydrophobicContact CZ-CD2 3.88Å; F383-L449 HydrophobicContact CB-CD2 3.6Å; F383-L449 HydrophobicContact CD1-CD1 4.31Å; F383-L451 PolarHBondContact N-O 2.89Å; F383-I452 HydrophobicContact CB-CG1 4.27Å; F383-I452 HydrophobicContact CD1-CD1 4.36Å; F383-I452 HydrophobicContact CD1-CG1 4.4Å; F383-I452 HydrophobicContact CD1-CG2 4.44Å; F383-I452 WeakPolarHBondContact O-CA 3.44Å; F383-I453 PolarHBondContact O-N 2.84Å |
| 384 | P | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 132.5 | 167.6 | 29.2 | -33.5 | 0 | 0 | 0 | 109.6 | M336 Y339 L340 F346 E347 M350 I453 | M336-P384 HydrophobicContact CG-CG 4.17Å; M336-P384 HydrophobicContact SD-CG 3.88Å; Y339-P384 WeakPolarHBondContact CE1-O 3.23Å; Y339-P384 PolarHBondContact OH-O 3.42Å; L340-P384 HydrophobicContact CD1-CB 3.97Å; L340-P384 HydrophobicContact CD1-CG 4.46Å; F346-P384 HydrophobicContact CE1-CB 4.21Å; F346-P384 HydrophobicContact CZ-CB 3.92Å; E347-P384 VanDerWaalsContact OE2-CG 3.28Å; E347-P384 WeakPolarHBondContact OE2-CG 3.4Å; M350-P384 HydrophobicContact CG-CB 4.29Å; P384-I453 CarbonylContact C-O 3.51Å; P384-I453 WeakPolarHBondContact CA-O 3.43Å |
| 385 | V | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 146.1 | -170.2 | 75.7 | 0 | 0 | 0 | 0 | 113 | Y339 F383 L389 M390 I452 I453 S454 G455 | Y339-V385 WeakPolarHBondContact OH-CA 3.26Å; F383-V385 HydrophobicContact CD1-CB 4.43Å; F383-V385 HydrophobicContact CE1-CB 4.21Å; F383-V385 HydrophobicContact CE1-CG2 3.92Å; F383-V385 HydrophobicContact CE2-CB 4.47Å; F383-V385 HydrophobicContact CE2-CG2 4.39Å; F383-V385 HydrophobicContact CZ-CB 4.24Å; F383-V385 HydrophobicContact CZ-CG2 3.8Å; V385-L389 HydrophobicContact CG2-CB 4.17Å; V385-L389 HydrophobicContact CG2-CD2 4.1Å; V385-L389 HydrophobicContact CG2-CG 4.29Å; V385-M390 HydrophobicContact CB-CG 4.31Å; V385-M390 HydrophobicContact CG1-CE 4.38Å; V385-M390 HydrophobicContact CG1-CG 3.67Å; V385-M390 HydrophobicContact CG1-SD 3.53Å; V385-M390 VanDerWaalsContact CG1-SD 3.53Å; V385-M390 HydrophobicContact CG2-CG 3.62Å; V385-I452 HydrophobicContact CB-CG2 4.38Å; V385-I452 HydrophobicContact CG1-CG2 3.54Å; V385-I453 PolarHBondContact N-O 2.76Å; V385-S454 VanDerWaalsContact O-CA 3.26Å; V385-S454 WeakPolarHBondContact O-CA 3.45Å; V385-S454 PolarHBondContact O-OG 2.9Å; V385-G455 PolarHBondContact O-N 3.45Å |
| 386 | V | 84.6 | Confident | 88.5 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 24% | 0.236 | 20% | 0.201 | C | C | . | . | trans | -102.2 | 147.9 | 173.1 | -66.6 | 0 | 0 | 0 | 0 | 111 | L340 R388 L389 M390 | L340-V386 HydrophobicContact CD1-CG1 4.42Å; L340-V386 HydrophobicContact CD2-CG1 3.85Å; L340-V386 HydrophobicContact CD2-CG2 4.38Å; V386-R388 PolarHBondContact O-N 3.39Å; V386-R388 VanDerWaalsContact O-N 3.1Å; V386-L389 HydrophobicContact CG2-CB 4.22Å; V386-L389 PolarHBondContact O-N 2.81Å; V386-M390 PolarHBondContact O-N 3.06Å | ||
| 387 | P | 80.2 | Confident | 88.1 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.1 | -38.5 | -175.9 | -25.2 | 27.6 | 0 | 0 | 0 | 113.7 | L389 M390 N391 G455 A457 P458 V459 | P387-L389 VanDerWaalsContact C-N 3.27Å; P387-L389 PolarHBondContact O-N 2.95Å; P387-M390 WeakPolarHBondContact O-CB 3.38Å; P387-M390 PolarHBondContact O-N 3.08Å; P387-N391 VanDerWaalsContact O-CG 3.32Å; P387-N391 PolarHBondContact O-N 2.94Å; P387-N391 PolarHBondContact O-ND2 3.43Å; P387-G455 VanDerWaalsContact CD-O 3.28Å; P387-G455 WeakPolarHBondContact CD-O 3.42Å; P387-A457 HydrophobicContact CG-CB 3.87Å; P387-A457 WeakPolarHBondContact CG-O 3.32Å; P387-P458 WeakPolarHBondContact CB-O 3.5Å; P387-P458 WeakPolarHBondContact CG-O 3.36Å; P387-V459 HydrophobicContact CB-CG2 3.77Å; P387-V459 HydrophobicContact CG-CG2 3.57Å |
| 388 | R | 76.5 | Confident | 87.5 | Confident | 164 Ų | 164 | 39.2 Ų | 39.2 | 62% | 0.619 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -56 | -40.9 | 177.8 | -175.2 | 178.6 | -177.7 | -177.4 | 3.2 | 112.4 | V386 R392 L696 | V386-R388 PolarHBondContact O-N 3.39Å; V386-R388 VanDerWaalsContact O-N 3.1Å; R388-R392 PolarHBondContact O-N 3.17Å; R388-L696 VanDerWaalsContact NH1-CD1 3.33Å |
| 389 | L | 81.6 | Confident | 86.8 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.131 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74 | -38.4 | 177.5 | -178.6 | 59.1 | 0 | 0 | 0 | 110.8 | Y339 L371 F383 V385 V386 P387 R392 V393 | Y339-L389 HydrophobicContact CE2-CD2 3.84Å; Y339-L389 WeakPolarHBondContact OH-CD2 3.39Å; L371-L389 HydrophobicContact CD2-CD2 3.59Å; F383-L389 HydrophobicContact CE2-CD2 4.44Å; F383-L389 HydrophobicContact CZ-CD2 3.88Å; V385-L389 HydrophobicContact CG2-CB 4.17Å; V385-L389 HydrophobicContact CG2-CD2 4.1Å; V385-L389 HydrophobicContact CG2-CG 4.29Å; V386-L389 HydrophobicContact CG2-CB 4.22Å; V386-L389 PolarHBondContact O-N 2.81Å; P387-L389 VanDerWaalsContact C-N 3.27Å; P387-L389 PolarHBondContact O-N 2.95Å; L389-R392 PolarHBondContact O-N 3.22Å; L389-V393 HydrophobicContact CD1-CG2 4.45Å; L389-V393 WeakPolarHBondContact O-CG2 3.15Å; L389-V393 PolarHBondContact O-N 3.11Å |
| 390 | M | 85.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 176 | -61.5 | -176.8 | 76.4 | 0 | 0 | 111.9 | V385 V386 P387 R392 V393 Y394 S454 V459 V463 L464 F467 V475 | V385-M390 HydrophobicContact CB-CG 4.31Å; V385-M390 HydrophobicContact CG1-CE 4.38Å; V385-M390 HydrophobicContact CG1-CG 3.67Å; V385-M390 HydrophobicContact CG1-SD 3.53Å; V385-M390 VanDerWaalsContact CG1-SD 3.53Å; V385-M390 HydrophobicContact CG2-CG 3.62Å; V386-M390 PolarHBondContact O-N 3.06Å; P387-M390 WeakPolarHBondContact O-CB 3.38Å; P387-M390 PolarHBondContact O-N 3.08Å; M390-R392 VanDerWaalsContact C-N 3.32Å; M390-R392 PolarHBondContact O-N 3.01Å; M390-V393 PolarHBondContact O-N 3.12Å; M390-Y394 WeakPolarHBondContact O-CB 3.26Å; M390-Y394 PolarHBondContact O-N 3.22Å; M390-S454 PolarHBondContact SD-OG 3.29Å; M390-S454 VanDerWaalsContact SD-OG 3.37Å; M390-V459 HydrophobicContact CE-CG1 4.35Å; M390-V459 HydrophobicContact SD-CG1 4.08Å; M390-V459 HydrophobicContact SD-CG2 3.88Å; M390-V463 HydrophobicContact CB-CG1 3.68Å; M390-V463 HydrophobicContact CE-CG1 4.37Å; M390-L464 HydrophobicContact CE-CD2 4.21Å; M390-F467 HydrophobicContact CB-CD2 4.39Å; M390-F467 HydrophobicContact CB-CE2 3.7Å; M390-F467 HydrophobicContact CB-CZ 3.85Å; M390-F467 HydrophobicContact CE-CB 3.96Å; M390-F467 HydrophobicContact CE-CD1 3.8Å; M390-F467 HydrophobicContact CE-CD2 3.55Å; M390-F467 HydrophobicContact CE-CE1 4.18Å; M390-F467 HydrophobicContact CE-CE2 3.99Å; M390-F467 HydrophobicContact CE-CG 3.48Å; M390-F467 VanDerWaalsContact CE-CG 3.48Å; M390-F467 HydrophobicContact CE-CZ 4.29Å; M390-F467 HydrophobicContact CG-CE1 4.22Å; M390-F467 HydrophobicContact CG-CE2 4.12Å; M390-F467 HydrophobicContact CG-CZ 3.91Å; M390-F467 WeakPolarHBondContact O-CE2 3.49Å; M390-V475 HydrophobicContact CE-CG1 4.32Å |
| 391 | N | 80.1 | Confident | 85.3 | Confident | 56 Ų | 56 | 43 Ų | 43 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 176.1 | -67.7 | -20.9 | 0 | 0 | 0 | 111 | P387 V393 Y394 D395 V463 | P387-N391 VanDerWaalsContact O-CG 3.32Å; P387-N391 PolarHBondContact O-N 2.94Å; P387-N391 PolarHBondContact O-ND2 3.43Å; N391-V393 VanDerWaalsContact C-N 3.34Å; N391-V393 PolarHBondContact O-N 3.4Å; N391-Y394 WeakPolarHBondContact O-CB 3.46Å; N391-Y394 PolarHBondContact O-N 2.92Å; N391-D395 WeakPolarHBondContact O-CB 3.31Å; N391-D395 PolarHBondContact O-N 3.44Å; N391-V463 WeakPolarHBondContact OD1-CG2 3.41Å |
| 392 | R | 78.8 | Confident | 84.4 | Confident | 141 Ų | 141 | 45.6 Ų | 45.6 | 53% | 0.532 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 176.7 | -177.8 | 178.2 | 177.8 | 164.1 | 1.8 | 112.5 | R388 L389 M390 Q396 | R388-R392 PolarHBondContact O-N 3.17Å; L389-R392 PolarHBondContact O-N 3.22Å; M390-R392 VanDerWaalsContact C-N 3.32Å; M390-R392 PolarHBondContact O-N 3.01Å; R392-Q396 WeakPolarHBondContact O-CB 3.31Å; R392-Q396 WeakPolarHBondContact O-CG 3.38Å; R392-Q396 PolarHBondContact O-N 3Å; R392-Q396 VanDerWaalsContact O-N 3.13Å |
| 393 | V | 85.4 | Confident | 83.4 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | L389 M390 N391 Q396 V397 F445 F466 F467 | L389-V393 HydrophobicContact CD1-CG2 4.45Å; L389-V393 WeakPolarHBondContact O-CG2 3.15Å; L389-V393 PolarHBondContact O-N 3.11Å; M390-V393 PolarHBondContact O-N 3.12Å; N391-V393 VanDerWaalsContact C-N 3.34Å; N391-V393 PolarHBondContact O-N 3.4Å; V393-Q396 PolarHBondContact O-N 2.65Å; V393-V397 WeakPolarHBondContact O-CG2 3.2Å; V393-V397 PolarHBondContact O-N 2.9Å; V393-V397 VanDerWaalsContact O-N 3.08Å; V393-F445 HydrophobicContact CB-CZ 4.39Å; V393-F445 HydrophobicContact CG1-CE2 4.17Å; V393-F445 HydrophobicContact CG1-CZ 3.63Å; V393-F445 HydrophobicContact CG2-CE1 4.12Å; V393-F445 HydrophobicContact CG2-CZ 3.77Å; V393-F466 HydrophobicContact CG1-CE1 4.34Å; V393-F467 HydrophobicContact CB-CE2 4.36Å; V393-F467 HydrophobicContact CB-CZ 3.9Å; V393-F467 HydrophobicContact CG1-CE2 4.4Å; V393-F467 HydrophobicContact CG1-CZ 3.97Å; V393-F467 HydrophobicContact CG2-CZ 4.42Å |
| 394 | Y | 85.1 | Confident | 82.7 | Confident | 28 Ų | 28 | 52 Ų | 52 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55 | -54.8 | 176.2 | 179.7 | -105.2 | 0 | 0 | 0 | 111.5 | M390 N391 Q396 V397 Q398 E462 V463 F466 | M390-Y394 WeakPolarHBondContact O-CB 3.26Å; M390-Y394 PolarHBondContact O-N 3.22Å; N391-Y394 WeakPolarHBondContact O-CB 3.46Å; N391-Y394 PolarHBondContact O-N 2.92Å; Y394-Q396 VanDerWaalsContact C-N 3.33Å; Y394-Q396 PolarHBondContact O-N 2.96Å; Y394-V397 PolarHBondContact O-N 3.24Å; Y394-V397 VanDerWaalsContact O-N 3.12Å; Y394-Q398 HydrophobicContact CD1-CG 4.17Å; Y394-Q398 HydrophobicContact CD2-CG 4.38Å; Y394-Q398 HydrophobicContact CE1-CG 3.75Å; Y394-Q398 HydrophobicContact CE2-CG 3.97Å; Y394-Q398 VanDerWaalsContact CE2-NE2 3.3Å; Y394-Q398 HydrophobicContact CG-CG 4.46Å; Y394-Q398 WeakPolarHBondContact O-CG 3.44Å; Y394-Q398 PolarHBondContact O-N 2.93Å; Y394-Q398 PolarHBondContact OH-NE2 2.92Å; Y394-E462 HydrophobicContact CE2-CG 4.4Å; Y394-E462 PolarHBondContact OH-OE1 3.47Å; Y394-V463 HydrophobicContact CD1-CG2 4.03Å; Y394-V463 HydrophobicContact CD2-CG2 4.37Å; Y394-V463 HydrophobicContact CG-CG2 3.93Å; Y394-F466 HydrophobicContact CD2-CB 3.73Å; Y394-F466 AromaticContact CD2-CD1 3.57Å; Y394-F466 HydrophobicContact CD2-CD1 3.57Å; Y394-F466 AromaticContact CD2-CD2 3.99Å; Y394-F466 HydrophobicContact CD2-CD2 3.99Å; Y394-F466 HydrophobicContact CD2-CE1 4.18Å; Y394-F466 AromaticContact CD2-CG 3.46Å; Y394-F466 HydrophobicContact CD2-CG 3.46Å; Y394-F466 VanDerWaalsContact CD2-CG 3.46Å; Y394-F466 HydrophobicContact CE2-CB 3.85Å; Y394-F466 HydrophobicContact CE2-CD1 4.44Å; Y394-F466 HydrophobicContact CE2-CD2 4.17Å; Y394-F466 AromaticContact CE2-CG 3.89Å; Y394-F466 HydrophobicContact CE2-CG 3.89Å; Y394-F466 HydrophobicContact CG-CD1 4.42Å |
| 395 | D | 80.5 | Confident | 82.1 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | -177.9 | -65.4 | -21.1 | 0 | 0 | 0 | 111.9 | N391 V397 Q398 L399 | N391-D395 WeakPolarHBondContact O-CB 3.31Å; N391-D395 PolarHBondContact O-N 3.44Å; D395-V397 VanDerWaalsContact C-N 3.33Å; D395-V397 PolarHBondContact O-N 3.37Å; D395-Q398 PolarHBondContact O-N 3.42Å; D395-L399 WeakPolarHBondContact O-CB 3.41Å; D395-L399 WeakPolarHBondContact O-CG 3.26Å; D395-L399 PolarHBondContact O-N 2.84Å |
| 396 | Q | 83.1 | Confident | 81.7 | Confident | 81 Ų | 81 | 60 Ų | 60 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 177.9 | -74 | -66.9 | -43.1 | 0 | 0 | 112.5 | R392 V393 Y394 K400 | R392-Q396 WeakPolarHBondContact O-CB 3.31Å; R392-Q396 WeakPolarHBondContact O-CG 3.38Å; R392-Q396 PolarHBondContact O-N 3Å; R392-Q396 VanDerWaalsContact O-N 3.13Å; V393-Q396 PolarHBondContact O-N 2.65Å; Y394-Q396 VanDerWaalsContact C-N 3.33Å; Y394-Q396 PolarHBondContact O-N 2.96Å; Q396-K400 WeakPolarHBondContact O-CG 2.83Å; Q396-K400 PolarHBondContact O-N 2.84Å |
| 397 | V | 85.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.6 | -43.8 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | V393 Y394 D395 L399 K400 V401 F411 V441 F466 | V393-V397 WeakPolarHBondContact O-CG2 3.2Å; V393-V397 PolarHBondContact O-N 2.9Å; V393-V397 VanDerWaalsContact O-N 3.08Å; Y394-V397 PolarHBondContact O-N 3.24Å; Y394-V397 VanDerWaalsContact O-N 3.12Å; D395-V397 VanDerWaalsContact C-N 3.33Å; D395-V397 PolarHBondContact O-N 3.37Å; V397-L399 VanDerWaalsContact C-N 3.33Å; V397-L399 PolarHBondContact O-N 3.15Å; V397-K400 PolarHBondContact O-N 2.82Å; V397-V401 HydrophobicContact CG1-CG2 4.29Å; V397-V401 WeakPolarHBondContact O-CB 3.39Å; V397-V401 VanDerWaalsContact O-CG2 3.27Å; V397-V401 WeakPolarHBondContact O-CG2 3.5Å; V397-V401 PolarHBondContact O-N 3.22Å; V397-F411 HydrophobicContact CG1-CE2 3.85Å; V397-F411 HydrophobicContact CG1-CZ 4Å; V397-V441 HydrophobicContact CG1-CG2 4.48Å; V397-V441 HydrophobicContact CG2-CG1 4.02Å; V397-F466 HydrophobicContact CB-CE2 4.32Å; V397-F466 HydrophobicContact CB-CZ 3.95Å; V397-F466 HydrophobicContact CG1-CE2 3.93Å; V397-F466 HydrophobicContact CG1-CZ 4Å; V397-F466 HydrophobicContact CG2-CZ 3.98Å |
| 398 | Q | 82.5 | Confident | 81.9 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.1 | -41 | 176.2 | -68.8 | -61.7 | -22.5 | 0 | 0 | 112.2 | Y394 D395 V401 S402 | Y394-Q398 HydrophobicContact CD1-CG 4.17Å; Y394-Q398 HydrophobicContact CD2-CG 4.38Å; Y394-Q398 HydrophobicContact CE1-CG 3.75Å; Y394-Q398 HydrophobicContact CE2-CG 3.97Å; Y394-Q398 VanDerWaalsContact CE2-NE2 3.3Å; Y394-Q398 HydrophobicContact CG-CG 4.46Å; Y394-Q398 WeakPolarHBondContact O-CG 3.44Å; Y394-Q398 PolarHBondContact O-N 2.93Å; Y394-Q398 PolarHBondContact OH-NE2 2.92Å; D395-Q398 PolarHBondContact O-N 3.42Å; Q398-V401 PolarHBondContact O-N 3.23Å; Q398-S402 VanDerWaalsContact O-CB 3.22Å; Q398-S402 WeakPolarHBondContact O-CB 3.25Å; Q398-S402 PolarHBondContact O-N 2.88Å; Q398-S402 PolarHBondContact O-OG 3.05Å |
| 399 | L | 80.9 | Confident | 82.4 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 24% | 0.236 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 173.9 | -82.4 | 170 | 0 | 0 | 0 | 112.4 | D395 V397 V401 S402 G403 F628 | D395-L399 WeakPolarHBondContact O-CB 3.41Å; D395-L399 WeakPolarHBondContact O-CG 3.26Å; D395-L399 PolarHBondContact O-N 2.84Å; V397-L399 VanDerWaalsContact C-N 3.33Å; V397-L399 PolarHBondContact O-N 3.15Å; L399-V401 VanDerWaalsContact C-N 3.26Å; L399-V401 PolarHBondContact O-N 3.11Å; L399-S402 PolarHBondContact O-OG 2.9Å; L399-S402 VanDerWaalsContact O-OG 3.12Å; L399-G403 PolarHBondContact O-N 2.98Å; L399-F628 HydrophobicContact CD1-CE2 3.77Å; L399-F628 HydrophobicContact CD1-CZ 3.75Å; L399-F628 HydrophobicContact CD2-CD1 4.26Å; L399-F628 HydrophobicContact CD2-CE1 3.34Å; L399-F628 HydrophobicContact CD2-CE2 3.83Å; L399-F628 HydrophobicContact CD2-CZ 3.14Å; L399-F628 HydrophobicContact CG-CE1 4.06Å; L399-F628 HydrophobicContact CG-CE2 3.93Å; L399-F628 HydrophobicContact CG-CZ 3.35Å |
| 400 | K | 81.5 | Confident | 82.7 | Confident | 149 Ų | 149 | 63 Ų | 63 | 65% | 0.648 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.5 | -33.2 | -179.6 | -76.2 | 176.1 | -179.4 | 179 | 0 | 112.8 | Q396 V397 | Q396-K400 WeakPolarHBondContact O-CG 2.83Å; Q396-K400 PolarHBondContact O-N 2.84Å; V397-K400 PolarHBondContact O-N 2.82Å |
| 401 | V | 82.5 | Confident | 82.9 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -83.4 | -40.1 | -177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | V397 Q398 L399 G403 N404 K408 F411 | V397-V401 HydrophobicContact CG1-CG2 4.29Å; V397-V401 WeakPolarHBondContact O-CB 3.39Å; V397-V401 VanDerWaalsContact O-CG2 3.27Å; V397-V401 WeakPolarHBondContact O-CG2 3.5Å; V397-V401 PolarHBondContact O-N 3.22Å; Q398-V401 PolarHBondContact O-N 3.23Å; L399-V401 VanDerWaalsContact C-N 3.26Å; L399-V401 PolarHBondContact O-N 3.11Å; V401-G403 PolarHBondContact O-N 2.9Å; V401-N404 PolarHBondContact O-N 3.01Å; V401-K408 VanDerWaalsContact CG1-CA 3.42Å; V401-K408 HydrophobicContact CG1-CB 4.01Å; V401-K408 HydrophobicContact CG1-CD 3.74Å; V401-K408 HydrophobicContact CG1-CG 4.49Å; V401-F411 HydrophobicContact CB-CG 4.44Å; V401-F411 HydrophobicContact CG1-CB 3.5Å; V401-F411 VanDerWaalsContact CG1-CB 3.5Å; V401-F411 HydrophobicContact CG1-CD1 4.02Å; V401-F411 HydrophobicContact CG1-CD2 4.36Å; V401-F411 HydrophobicContact CG1-CG 3.71Å; V401-F411 HydrophobicContact CG2-CB 4.37Å; V401-F411 HydrophobicContact CG2-CD2 3.83Å; V401-F411 HydrophobicContact CG2-CE2 4.28Å; V401-F411 HydrophobicContact CG2-CG 4.03Å |
| 402 | S | 77.4 | Confident | 83.3 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.9 | -19.4 | -177.9 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | Q398 L399 N404 | Q398-S402 VanDerWaalsContact O-CB 3.22Å; Q398-S402 WeakPolarHBondContact O-CB 3.25Å; Q398-S402 PolarHBondContact O-N 2.88Å; Q398-S402 PolarHBondContact O-OG 3.05Å; L399-S402 PolarHBondContact O-OG 2.9Å; L399-S402 VanDerWaalsContact O-OG 3.12Å; S402-N404 PolarHBondContact O-N 3.3Å; S402-N404 VanDerWaalsContact O-N 3.1Å |
| 403 | G | 76.8 | Confident | 83.8 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 72% | 0.722 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -7.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | L399 V401 | L399-G403 PolarHBondContact O-N 2.98Å; V401-G403 PolarHBondContact O-N 2.9Å |
| 404 | N | 81.5 | Confident | 83.9 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -145.8 | 118.5 | 177.4 | 180 | -44.9 | 0 | 0 | 0 | 110.9 | V401 S402 L406 K407 K408 | V401-N404 PolarHBondContact O-N 3.01Å; S402-N404 PolarHBondContact O-N 3.3Å; S402-N404 VanDerWaalsContact O-N 3.1Å; N404-L406 VanDerWaalsContact C-N 3.29Å; N404-L406 PolarHBondContact O-N 3.18Å; N404-L406 WeakPolarHBondContact OD1-CB 3.22Å; N404-L406 PolarHBondContact OD1-N 2.87Å; N404-K407 HydrophobicContact CB-CB 3.99Å; N404-K407 HydrophobicContact CB-CD 3.97Å; N404-K407 HydrophobicContact CB-CG 3.89Å; N404-K407 PolarHBondContact O-N 3.43Å; N404-K407 PolarHBondContact OD1-N 2.82Å; N404-K407 VanDerWaalsContact OD1-N 3.14Å; N404-K408 PolarHBondContact O-N 3.23Å |
| 405 | V | 83.9 | Confident | 84.2 | Confident | 128 Ų | 128 | 58.1 Ų | 58.1 | 78% | 0.776 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55.4 | -41.3 | -176.3 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | K408 F409 | V405-K408 PolarHBondContact O-N 2.94Å; V405-F409 WeakPolarHBondContact O-CB 3.35Å; V405-F409 PolarHBondContact O-N 3.16Å |
| 406 | L | 82.3 | Confident | 84.6 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 177.8 | -179.5 | 59.8 | 0 | 0 | 0 | 111.5 | L16 V19 V20 N404 K408 F409 I410 | L16-L406 HydrophobicContact CD1-CB 3.83Å; L16-L406 HydrophobicContact CD1-CD1 3.63Å; L16-L406 HydrophobicContact CD1-CD2 3.67Å; L16-L406 HydrophobicContact CD1-CG 3.89Å; V19-L406 HydrophobicContact CB-CD2 4.32Å; V19-L406 HydrophobicContact CG1-CD1 4.09Å; V19-L406 HydrophobicContact CG1-CD2 3.98Å; V19-L406 HydrophobicContact CG1-CG 4.4Å; V20-L406 HydrophobicContact CG2-CD1 3.88Å; N404-L406 VanDerWaalsContact C-N 3.29Å; N404-L406 PolarHBondContact O-N 3.18Å; N404-L406 WeakPolarHBondContact OD1-CB 3.22Å; N404-L406 PolarHBondContact OD1-N 2.87Å; L406-K408 VanDerWaalsContact C-N 3.29Å; L406-K408 PolarHBondContact O-N 3.48Å; L406-F409 PolarHBondContact O-N 3.03Å; L406-I410 HydrophobicContact CD1-CD1 3.99Å; L406-I410 HydrophobicContact CD1-CG1 4.22Å; L406-I410 HydrophobicContact CG-CD1 3.89Å; L406-I410 VanDerWaalsContact O-CG1 3.28Å; L406-I410 WeakPolarHBondContact O-CG1 3.37Å; L406-I410 PolarHBondContact O-N 3.17Å |
| 407 | K | 83.6 | Confident | 84.9 | Confident | 128 Ų | 128 | 59.9 Ų | 59.9 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 176.1 | -68.7 | -173.2 | -177.4 | 178.1 | 0 | 111 | N404 I410 F411 | N404-K407 HydrophobicContact CB-CB 3.99Å; N404-K407 HydrophobicContact CB-CD 3.97Å; N404-K407 HydrophobicContact CB-CG 3.89Å; N404-K407 PolarHBondContact O-N 3.43Å; N404-K407 PolarHBondContact OD1-N 2.82Å; N404-K407 VanDerWaalsContact OD1-N 3.14Å; K407-I410 PolarHBondContact O-N 2.73Å; K407-F411 WeakPolarHBondContact O-CB 3.42Å; K407-F411 PolarHBondContact O-N 3.22Å |
| 408 | K | 85.8 | Confident | 85 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.8 | -175.5 | 57.7 | 175.4 | 159.5 | 0 | 112.2 | V401 N404 V405 L406 I410 F411 D412 | V401-K408 VanDerWaalsContact CG1-CA 3.42Å; V401-K408 HydrophobicContact CG1-CB 4.01Å; V401-K408 HydrophobicContact CG1-CD 3.74Å; V401-K408 HydrophobicContact CG1-CG 4.49Å; N404-K408 PolarHBondContact O-N 3.23Å; V405-K408 PolarHBondContact O-N 2.94Å; L406-K408 VanDerWaalsContact C-N 3.29Å; L406-K408 PolarHBondContact O-N 3.48Å; K408-I410 PolarHBondContact O-N 3.09Å; K408-F411 PolarHBondContact O-N 2.95Å; K408-D412 WeakPolarHBondContact CD-OD2 3.35Å; K408-D412 VanDerWaalsContact CE-OD1 3.3Å; K408-D412 WeakPolarHBondContact CE-OD1 3.28Å; K408-D412 WeakPolarHBondContact CE-OD2 3.26Å; K408-D412 IonicContact NZ-OD1 2.86Å; K408-D412 PolarHBondContact NZ-OD1 2.97Å; K408-D412 IonicContact NZ-OD2 2.67Å; K408-D412 PolarHBondContact NZ-OD2 2.7Å; K408-D412 WeakPolarHBondContact O-CB 3.24Å; K408-D412 VanDerWaalsContact O-CG 3.23Å; K408-D412 PolarHBondContact O-N 2.97Å |
| 409 | F | 86.1 | Confident | 85.4 | Confident | 86 Ų | 86 | 58.7 Ų | 58.7 | 38% | 0.377 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.9 | -48.2 | 175.4 | 177.5 | -99.2 | 0 | 0 | 0 | 112.6 | V20 V405 L406 F411 D412 L413 | V20-F409 HydrophobicContact CG1-CE1 4.04Å; V20-F409 HydrophobicContact CG1-CZ 4.34Å; V20-F409 HydrophobicContact CG2-CD1 4.4Å; V20-F409 HydrophobicContact CG2-CE1 4.35Å; V405-F409 WeakPolarHBondContact O-CB 3.35Å; V405-F409 PolarHBondContact O-N 3.16Å; L406-F409 PolarHBondContact O-N 3.03Å; F409-F411 VanDerWaalsContact C-N 3.35Å; F409-F411 PolarHBondContact O-N 2.65Å; F409-D412 PolarHBondContact O-N 3.21Å; F409-L413 HydrophobicContact CE1-CD2 4.28Å; F409-L413 HydrophobicContact CZ-CD2 4.39Å; F409-L413 WeakPolarHBondContact O-CB 3.17Å; F409-L413 PolarHBondContact O-N 3.03Å |
| 410 | I | 87.3 | Confident | 85.7 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.5 | -65.5 | 167.7 | 0 | 0 | 0 | 110.6 | V19 T23 L406 K407 K408 L413 A414 W433 V437 | V19-I410 HydrophobicContact CG1-CD1 3.97Å; T23-I410 HydrophobicContact CG2-CB 4.47Å; T23-I410 HydrophobicContact CG2-CG1 3.98Å; T23-I410 HydrophobicContact CG2-CG2 4.29Å; L406-I410 HydrophobicContact CD1-CD1 3.99Å; L406-I410 HydrophobicContact CD1-CG1 4.22Å; L406-I410 HydrophobicContact CG-CD1 3.89Å; L406-I410 VanDerWaalsContact O-CG1 3.28Å; L406-I410 WeakPolarHBondContact O-CG1 3.37Å; L406-I410 PolarHBondContact O-N 3.17Å; K407-I410 PolarHBondContact O-N 2.73Å; K408-I410 PolarHBondContact O-N 3.09Å; I410-L413 PolarHBondContact O-N 2.95Å; I410-A414 VanDerWaalsContact O-CB 3.26Å; I410-A414 WeakPolarHBondContact O-CB 3.43Å; I410-A414 PolarHBondContact O-N 2.75Å; I410-W433 HydrophobicContact CG2-CZ3 4.49Å; I410-V437 HydrophobicContact CG2-CG2 3.78Å |
| 411 | F | 89.3 | Confident | 86 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 2% | 0.022 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 178.9 | 178.9 | -90.7 | 0 | 0 | 0 | 111.9 | V397 V401 K407 K408 F409 L413 A414 M415 V437 F438 F466 | V397-F411 HydrophobicContact CG1-CE2 3.85Å; V397-F411 HydrophobicContact CG1-CZ 4Å; V401-F411 HydrophobicContact CB-CG 4.44Å; V401-F411 HydrophobicContact CG1-CB 3.5Å; V401-F411 VanDerWaalsContact CG1-CB 3.5Å; V401-F411 HydrophobicContact CG1-CD1 4.02Å; V401-F411 HydrophobicContact CG1-CD2 4.36Å; V401-F411 HydrophobicContact CG1-CG 3.71Å; V401-F411 HydrophobicContact CG2-CB 4.37Å; V401-F411 HydrophobicContact CG2-CD2 3.83Å; V401-F411 HydrophobicContact CG2-CE2 4.28Å; V401-F411 HydrophobicContact CG2-CG 4.03Å; K407-F411 WeakPolarHBondContact O-CB 3.42Å; K407-F411 PolarHBondContact O-N 3.22Å; K408-F411 PolarHBondContact O-N 2.95Å; F409-F411 VanDerWaalsContact C-N 3.35Å; F409-F411 PolarHBondContact O-N 2.65Å; F411-L413 VanDerWaalsContact C-N 3.34Å; F411-L413 PolarHBondContact O-N 3.09Å; F411-A414 WeakPolarHBondContact O-CB 3.24Å; F411-A414 PolarHBondContact O-N 3.27Å; F411-M415 HydrophobicContact CD1-CG 3.94Å; F411-M415 HydrophobicContact CE1-CG 3.56Å; F411-M415 HydrophobicContact CE1-SD 4.3Å; F411-M415 HydrophobicContact CE2-CG 4.46Å; F411-M415 HydrophobicContact CZ-CG 3.85Å; F411-M415 HydrophobicContact CZ-SD 4.03Å; F411-M415 WeakPolarHBondContact O-CB 3.41Å; F411-M415 VanDerWaalsContact O-CG 3.29Å; F411-M415 WeakPolarHBondContact O-CG 3.16Å; F411-M415 PolarHBondContact O-N 2.86Å; F411-V437 HydrophobicContact CD2-CG1 3.56Å; F411-V437 HydrophobicContact CE2-CG1 4.24Å; F411-V437 HydrophobicContact CG-CG1 4.47Å; F411-F438 HydrophobicContact CE2-CE1 4.11Å; F411-F466 HydrophobicContact CE2-CE2 4.4Å; F411-F466 HydrophobicContact CZ-CD2 4.14Å; F411-F466 AromaticContact CZ-CE2 3.87Å; F411-F466 HydrophobicContact CZ-CE2 3.87Å |
| 412 | D | 88.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | -179.8 | -67.8 | -18.9 | 0 | 0 | 0 | 111.5 | K408 F409 M415 R416 | K408-D412 WeakPolarHBondContact CD-OD2 3.35Å; K408-D412 VanDerWaalsContact CE-OD1 3.3Å; K408-D412 WeakPolarHBondContact CE-OD1 3.28Å; K408-D412 WeakPolarHBondContact CE-OD2 3.26Å; K408-D412 IonicContact NZ-OD1 2.86Å; K408-D412 PolarHBondContact NZ-OD1 2.97Å; K408-D412 IonicContact NZ-OD2 2.67Å; K408-D412 PolarHBondContact NZ-OD2 2.7Å; K408-D412 WeakPolarHBondContact O-CB 3.24Å; K408-D412 VanDerWaalsContact O-CG 3.23Å; K408-D412 PolarHBondContact O-N 2.97Å; F409-D412 PolarHBondContact O-N 3.21Å; D412-M415 PolarHBondContact O-N 3.4Å; D412-R416 WeakPolarHBondContact O-CB 3.23Å; D412-R416 PolarHBondContact O-N 3.17Å |
| 413 | L | 88.9 | Confident | 86.8 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 173.6 | -176 | 57 | 0 | 0 | 0 | 111.8 | T23 A27 F409 I410 F411 R416 C417 W433 | T23-L413 HydrophobicContact CG2-CD2 3.77Å; A27-L413 HydrophobicContact CB-CD1 4.19Å; A27-L413 HydrophobicContact CB-CD2 4.12Å; A27-L413 HydrophobicContact CB-CG 4.29Å; F409-L413 HydrophobicContact CE1-CD2 4.28Å; F409-L413 HydrophobicContact CZ-CD2 4.39Å; F409-L413 WeakPolarHBondContact O-CB 3.17Å; F409-L413 PolarHBondContact O-N 3.03Å; I410-L413 PolarHBondContact O-N 2.95Å; F411-L413 VanDerWaalsContact C-N 3.34Å; F411-L413 PolarHBondContact O-N 3.09Å; L413-R416 PolarHBondContact O-N 2.96Å; L413-C417 WeakPolarHBondContact O-CB 3.49Å; L413-C417 PolarHBondContact O-N 3.26Å; L413-C417 PolarHBondContact O-SG 3.15Å; L413-W433 HydrophobicContact CD2-CH2 3.97Å; L413-W433 HydrophobicContact CG-CH2 3.88Å; L413-W433 HydrophobicContact CG-CZ2 4.33Å |
| 414 | A | 88.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I410 F411 C417 K418 W433 V437 F438 | I410-A414 VanDerWaalsContact O-CB 3.26Å; I410-A414 WeakPolarHBondContact O-CB 3.43Å; I410-A414 PolarHBondContact O-N 2.75Å; F411-A414 WeakPolarHBondContact O-CB 3.24Å; F411-A414 PolarHBondContact O-N 3.27Å; A414-C417 PolarHBondContact O-N 3.2Å; A414-K418 PolarHBondContact O-N 3.31Å; A414-W433 HydrophobicContact CB-CB 4.06Å; A414-W433 HydrophobicContact CB-CD2 3.83Å; A414-W433 HydrophobicContact CB-CE3 3.51Å; A414-W433 HydrophobicContact CB-CG 4.08Å; A414-W433 HydrophobicContact CB-CZ3 4.21Å; A414-V437 HydrophobicContact CB-CB 4.35Å; A414-V437 HydrophobicContact CB-CG2 3.92Å; A414-F438 HydrophobicContact CB-CE2 3.81Å; A414-F438 HydrophobicContact CB-CZ 3.89Å |
| 415 | M | 91.2 | Very high | 87.6 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 16% | 0.163 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 173.9 | -77.2 | -61 | -66.3 | 0 | 0 | 111.2 | F411 D412 G419 F438 F466 I469 | F411-M415 HydrophobicContact CD1-CG 3.94Å; F411-M415 HydrophobicContact CE1-CG 3.56Å; F411-M415 HydrophobicContact CE1-SD 4.3Å; F411-M415 HydrophobicContact CE2-CG 4.46Å; F411-M415 HydrophobicContact CZ-CG 3.85Å; F411-M415 HydrophobicContact CZ-SD 4.03Å; F411-M415 WeakPolarHBondContact O-CB 3.41Å; F411-M415 VanDerWaalsContact O-CG 3.29Å; F411-M415 WeakPolarHBondContact O-CG 3.16Å; F411-M415 PolarHBondContact O-N 2.86Å; D412-M415 PolarHBondContact O-N 3.4Å; M415-G419 WeakPolarHBondContact O-CA 3.24Å; M415-G419 PolarHBondContact O-N 3.08Å; M415-F438 HydrophobicContact CG-CZ 4.32Å; M415-F438 HydrophobicContact SD-CE1 3.81Å; M415-F438 HydrophobicContact SD-CZ 3.83Å; M415-F466 HydrophobicContact CE-CB 4.09Å; M415-F466 HydrophobicContact CE-CD2 4.1Å; M415-F466 HydrophobicContact SD-CD2 4.17Å; M415-I469 HydrophobicContact CE-CB 4.23Å; M415-I469 HydrophobicContact CE-CD1 3.59Å; M415-I469 HydrophobicContact CE-CG2 4.28Å; M415-I469 WeakPolarHBondContact O-CD1 3.35Å; M415-I469 HydrophobicContact SD-CB 4.09Å; M415-I469 HydrophobicContact SD-CD1 4.25Å; M415-I469 HydrophobicContact SD-CG2 3.54Å; M415-I469 VanDerWaalsContact SD-CG2 3.54Å |
| 416 | R | 89.2 | Confident | 87.7 | Confident | 183 Ų | 183 | 48.5 Ų | 48.5 | 69% | 0.691 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.1 | -47.6 | 177.3 | -173.7 | 176 | -179.5 | 158.9 | 0.7 | 112.2 | D412 L413 G419 E420 | D412-R416 WeakPolarHBondContact O-CB 3.23Å; D412-R416 PolarHBondContact O-N 3.17Å; L413-R416 PolarHBondContact O-N 2.96Å; R416-G419 PolarHBondContact O-N 3.06Å; R416-E420 PolarHBondContact O-N 2.75Å |
| 417 | C | 88.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | -179.3 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | Y30 F31 L413 A414 G419 E420 W433 | Y30-C417 HydrophobicContact CD1-CB 3.94Å; Y30-C417 HydrophobicContact CE1-CB 3.8Å; Y30-C417 WeakPolarHBondContact CE1-O 3.44Å; F31-C417 VanDerWaalsContact CE2-SG 3.53Å; F31-C417 HydrophobicContact CZ-CB 4.3Å; L413-C417 WeakPolarHBondContact O-CB 3.49Å; L413-C417 PolarHBondContact O-N 3.26Å; L413-C417 PolarHBondContact O-SG 3.15Å; A414-C417 PolarHBondContact O-N 3.2Å; C417-G419 VanDerWaalsContact C-N 3.34Å; C417-E420 PolarHBondContact O-N 3.49Å; C417-W433 HydrophobicContact CB-CZ2 4.25Å; C417-W433 VanDerWaalsContact SG-CZ2 3.56Å |
| 418 | K | 88.7 | Confident | 87.8 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73 | -27.6 | 178.2 | -70.3 | -161.7 | 76.3 | -178 | 0 | 112.6 | A414 E420 D421 V422 R428 W433 D434 F438 I469 | A414-K418 PolarHBondContact O-N 3.31Å; K418-E420 VanDerWaalsContact C-N 3.27Å; K418-E420 PolarHBondContact O-N 2.91Å; K418-D421 WeakPolarHBondContact O-CB 3.27Å; K418-D421 PolarHBondContact O-N 3.18Å; K418-D421 VanDerWaalsContact O-N 3.09Å; K418-V422 WeakPolarHBondContact O-CG2 3.24Å; K418-V422 PolarHBondContact O-N 3.32Å; K418-R428 PolarHBondContact NZ-O 2.72Å; K418-R428 VanDerWaalsContact NZ-O 3.11Å; K418-W433 HydrophobicContact CD-CB 4.23Å; K418-W433 HydrophobicContact CG-CB 4.27Å; K418-D434 IonicContact NZ-OD1 2.71Å; K418-D434 PolarHBondContact NZ-OD1 3.03Å; K418-D434 IonicContact NZ-OD2 3.91Å; K418-F438 HydrophobicContact CD-CD2 3.56Å; K418-F438 HydrophobicContact CD-CE2 3.37Å; K418-F438 HydrophobicContact CD-CZ 4.41Å; K418-F438 HydrophobicContact CG-CE2 4.06Å; K418-I469 HydrophobicContact CB-CB 4.37Å; K418-I469 HydrophobicContact CB-CG1 4.25Å; K418-I469 HydrophobicContact CB-CG2 3.53Å; K418-I469 HydrophobicContact CD-CG2 4.12Å; K418-I469 HydrophobicContact CG-CG2 4.35Å; K418-I469 PolarHBondContact NZ-O 3.45Å |
| 419 | G | 90.1 | Very high | 87.7 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -36.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M415 R416 C417 D421 V422 K423 | M415-G419 WeakPolarHBondContact O-CA 3.24Å; M415-G419 PolarHBondContact O-N 3.08Å; R416-G419 PolarHBondContact O-N 3.06Å; C417-G419 VanDerWaalsContact C-N 3.34Å; G419-D421 VanDerWaalsContact C-N 3.3Å; G419-D421 PolarHBondContact O-N 3.16Å; G419-V422 PolarHBondContact O-N 3.26Å; G419-K423 WeakPolarHBondContact O-CG 3.37Å; G419-K423 PolarHBondContact O-N 3.49Å |
| 420 | E | 88.4 | Confident | 87.5 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.2 | -26.9 | 173.9 | -66.5 | -58.2 | 130.2 | 0 | 0 | 113.5 | F31 R416 C417 K418 K423 K424 | F31-E420 HydrophobicContact CE1-CB 4.19Å; F31-E420 HydrophobicContact CE1-CG 4.11Å; F31-E420 HydrophobicContact CZ-CG 4.38Å; R416-E420 PolarHBondContact O-N 2.75Å; C417-E420 PolarHBondContact O-N 3.49Å; K418-E420 VanDerWaalsContact C-N 3.27Å; K418-E420 PolarHBondContact O-N 2.91Å; E420-K423 IonicContact OE1-NZ 3.79Å; E420-K423 PolarHBondContact OE1-NZ 3.15Å; E420-K424 WeakPolarHBondContact O-CD 3.15Å; E420-K424 WeakPolarHBondContact O-CG 3.26Å |
| 421 | D | 87.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.7 | -42.3 | 171.3 | -74.6 | 3.9 | 0 | 0 | 0 | 111 | Y30 K418 G419 K423 K424 A425 I426 R428 | Y30-D421 VanDerWaalsContact OH-CG 3.26Å; Y30-D421 PolarHBondContact OH-OD2 3.13Å; K418-D421 WeakPolarHBondContact O-CB 3.27Å; K418-D421 PolarHBondContact O-N 3.18Å; K418-D421 VanDerWaalsContact O-N 3.09Å; G419-D421 VanDerWaalsContact C-N 3.3Å; G419-D421 PolarHBondContact O-N 3.16Å; D421-K423 VanDerWaalsContact C-N 3.32Å; D421-K423 PolarHBondContact O-N 3.08Å; D421-K424 CarbonylContact O-C 3.48Å; D421-K424 WeakPolarHBondContact O-CA 3.24Å; D421-K424 WeakPolarHBondContact O-CB 3.4Å; D421-K424 PolarHBondContact O-N 3.2Å; D421-A425 PolarHBondContact O-N 2.73Å; D421-I426 CarbonylContact C-O 3.32Å; D421-I426 HydrophobicContact CB-CB 4.12Å; D421-I426 HydrophobicContact CB-CG2 4.22Å; D421-I426 WeakPolarHBondContact O-CB 3.41Å; D421-I426 PolarHBondContact O-N 3.28Å; D421-R428 IonicContact OD1-NH2 2.75Å; D421-R428 PolarHBondContact OD1-NH2 3.13Å; D421-R428 IonicContact OD2-CZ 2.63Å; D421-R428 IonicContact OD2-NE 3.18Å; D421-R428 PolarHBondContact OD2-NE 2.85Å; D421-R428 IonicContact OD2-NH2 2.88Å; D421-R428 PolarHBondContact OD2-NH2 3.23Å |
| 422 | V | 89.1 | Confident | 86.8 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | K418 G419 K424 A425 L427 R468 I469 D496 | K418-V422 WeakPolarHBondContact O-CG2 3.24Å; K418-V422 PolarHBondContact O-N 3.32Å; G419-V422 PolarHBondContact O-N 3.26Å; V422-K424 PolarHBondContact O-N 2.87Å; V422-K424 VanDerWaalsContact O-N 3.14Å; V422-A425 WeakPolarHBondContact O-CA 3.26Å; V422-A425 PolarHBondContact O-N 3.36Å; V422-L427 HydrophobicContact CG2-CD2 4.09Å; V422-R468 HydrophobicContact CG1-CB 4.23Å; V422-R468 HydrophobicContact CG2-CB 4.22Å; V422-I469 HydrophobicContact CG2-CG1 3.89Å; V422-D496 HydrophobicContact CG1-CB 3.99Å |
| 423 | K | 87.6 | Confident | 86.7 | Confident | 121 Ų | 121 | 45.9 Ų | 45.9 | 53% | 0.526 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.5 | 173.1 | -71.6 | 175.3 | -178.7 | 174.9 | 0 | 114.2 | G419 E420 D421 A425 D496 | G419-K423 WeakPolarHBondContact O-CG 3.37Å; G419-K423 PolarHBondContact O-N 3.49Å; E420-K423 IonicContact OE1-NZ 3.79Å; E420-K423 PolarHBondContact OE1-NZ 3.15Å; D421-K423 VanDerWaalsContact C-N 3.32Å; D421-K423 PolarHBondContact O-N 3.08Å; K423-A425 VanDerWaalsContact C-N 3.31Å; K423-D496 WeakPolarHBondContact CG-OD2 3.44Å |
| 424 | K | 86.6 | Confident | 86.4 | Confident | 110 Ų | 110 | 44.4 Ų | 44.4 | 48% | 0.478 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 10.3 | 176.6 | -65 | 170.9 | -172.4 | 172.7 | 0 | 112 | E420 D421 V422 I426 | E420-K424 WeakPolarHBondContact O-CD 3.15Å; E420-K424 WeakPolarHBondContact O-CG 3.26Å; D421-K424 CarbonylContact O-C 3.48Å; D421-K424 WeakPolarHBondContact O-CA 3.24Å; D421-K424 WeakPolarHBondContact O-CB 3.4Å; D421-K424 PolarHBondContact O-N 3.2Å; V422-K424 PolarHBondContact O-N 2.87Å; V422-K424 VanDerWaalsContact O-N 3.14Å; K424-I426 HydrophobicContact CB-CD1 3.98Å; K424-I426 HydrophobicContact CB-CG1 4.19Å; K424-I426 PolarHBondContact O-N 2.92Å |
| 425 | A | 87.5 | Confident | 86 | Confident | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 36.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K40 I41 D421 V422 K423 G494 | K40-A425 WeakPolarHBondContact CA-O 3.4Å; K40-A425 HydrophobicContact CG-CB 4.02Å; I41-A425 HydrophobicContact CB-CB 4.42Å; I41-A425 WeakPolarHBondContact CG1-O 3.21Å; I41-A425 PolarHBondContact N-O 2.78Å; D421-A425 PolarHBondContact O-N 2.73Å; V422-A425 WeakPolarHBondContact O-CA 3.26Å; V422-A425 PolarHBondContact O-N 3.36Å; K423-A425 VanDerWaalsContact C-N 3.31Å; A425-G494 WeakPolarHBondContact CB-O 3.09Å |
| 426 | I | 85.8 | Confident | 85.5 | Confident | 22 Ų | 22 | 53 Ų | 53 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -107 | 117.9 | 177.7 | -66.6 | 170.6 | 0 | 0 | 0 | 109.1 | D421 K424 | D421-I426 CarbonylContact C-O 3.32Å; D421-I426 HydrophobicContact CB-CB 4.12Å; D421-I426 HydrophobicContact CB-CG2 4.22Å; D421-I426 WeakPolarHBondContact O-CB 3.41Å; D421-I426 PolarHBondContact O-N 3.28Å; K424-I426 HydrophobicContact CB-CD1 3.98Å; K424-I426 HydrophobicContact CB-CG1 4.19Å; K424-I426 PolarHBondContact O-N 2.92Å |
| 427 | L | 85.1 | Confident | 85.3 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | trans | -111.2 | 124.2 | 170.2 | -62.7 | -178.4 | 0 | 0 | 0 | 109.8 | I41 V422 C473 V474 | I41-L427 HydrophobicContact CD1-CB 4.49Å; I41-L427 HydrophobicContact CD1-CD1 3.61Å; I41-L427 HydrophobicContact CD1-CG 3.75Å; V422-L427 HydrophobicContact CG2-CD2 4.09Å; L427-C473 WeakPolarHBondContact CD1-O 3.42Å; L427-V474 HydrophobicContact CD1-CG2 3.96Å | ||
| 428 | R | 83.3 | Confident | 85.3 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | trans | -144.4 | 145.4 | 177 | 62.1 | 177.3 | 169 | 175.8 | -9.2 | 112.2 | Y30 K418 D421 N430 A472 | Y30-R428 PolarHBondContact OH-NH2 3.21Å; Y30-R428 VanDerWaalsContact OH-NH2 3.16Å; K418-R428 PolarHBondContact NZ-O 2.72Å; K418-R428 VanDerWaalsContact NZ-O 3.11Å; D421-R428 IonicContact OD1-NH2 2.75Å; D421-R428 PolarHBondContact OD1-NH2 3.13Å; D421-R428 IonicContact OD2-CZ 2.63Å; D421-R428 IonicContact OD2-NE 3.18Å; D421-R428 PolarHBondContact OD2-NE 2.85Å; D421-R428 IonicContact OD2-NH2 2.88Å; D421-R428 PolarHBondContact OD2-NH2 3.23Å; R428-N430 WeakPolarHBondContact CB-OD1 3.19Å; R428-N430 WeakPolarHBondContact CD-OD1 3.47Å; R428-A472 VanDerWaalsContact O-CB 3.32Å; R428-A472 WeakPolarHBondContact O-CB 3.3Å | ||
| 429 | K | 83.6 | Confident | 85.3 | Confident | 81 Ų | 81 | 50 Ų | 50 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -106.7 | 1.3 | 178.1 | -70.4 | 178.8 | -178 | -179.1 | 0 | 113.3 | D434 L449 F471 A472 | K429-D434 VanDerWaalsContact C-CG 3.41Å; K429-D434 WeakPolarHBondContact CA-OD2 3.39Å; K429-D434 WeakPolarHBondContact O-CB 3.38Å; K429-L449 PolarHBondContact NZ-O 3.29Å; K429-F471 VanDerWaalsContact CE-O 3.29Å; K429-F471 WeakPolarHBondContact CE-O 3.22Å; K429-A472 HydrophobicContact CG-CB 3.59Å |
| 430 | N | 81.6 | Confident | 85.1 | Confident | 121 Ų | 121 | 54.8 Ų | 54.8 | 65% | 0.647 | 27% | 0.269 | S | S | * | . | trans | -106.6 | 15 | -171.8 | 67 | -11.8 | 0 | 0 | 0 | 113.7 | R428 D434 | R428-N430 WeakPolarHBondContact CB-OD1 3.19Å; R428-N430 WeakPolarHBondContact CD-OD1 3.47Å; N430-D434 PolarHBondContact N-OD2 3.46Å | ||
| 431 | S | 81.3 | Confident | 85 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -78.5 | 163.6 | 177.1 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | W433 D434 L435 | S431-W433 PolarHBondContact O-N 3.45Å; S431-W433 PolarHBondContact OG-N 3.19Å; S431-D434 WeakPolarHBondContact CB-OD2 3.15Å; S431-D434 PolarHBondContact N-OD2 3.01Å; S431-D434 WeakPolarHBondContact O-CB 3.42Å; S431-D434 PolarHBondContact O-N 3.03Å; S431-D434 VanDerWaalsContact O-N 3.14Å; S431-D434 VanDerWaalsContact OG-CG 3.3Å; S431-D434 PolarHBondContact OG-N 3.01Å; S431-D434 VanDerWaalsContact OG-N 3.12Å; S431-D434 PolarHBondContact OG-OD2 2.82Å; S431-L435 PolarHBondContact O-N 3.37Å |
| 432 | I | 81 | Confident | 85.1 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.4 | -32.9 | 170.3 | -162.7 | 173.3 | 0 | 0 | 0 | 111.9 | A26 D434 L435 L436 | A26-I432 HydrophobicContact CB-CD1 3.79Å; A26-I432 HydrophobicContact CB-CG2 4.27Å; I432-D434 VanDerWaalsContact C-N 3.32Å; I432-D434 PolarHBondContact O-N 3.39Å; I432-L435 PolarHBondContact O-N 3.16Å; I432-L436 HydrophobicContact CD1-CD1 4.26Å; I432-L436 HydrophobicContact CG1-CD1 3.86Å; I432-L436 HydrophobicContact CG1-CG 4.24Å; I432-L436 WeakPolarHBondContact O-CB 3.29Å; I432-L436 VanDerWaalsContact O-CG 3.32Å; I432-L436 WeakPolarHBondContact O-CG 3.49Å; I432-L436 PolarHBondContact O-N 3.48Å |
| 433 | W | 86.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68 | -32.8 | 177.3 | -54.7 | 119.6 | 0 | 0 | 0 | 112.7 | T23 A27 Y30 I410 L413 A414 C417 K418 S431 L435 V437 F438 | T23-W433 HydrophobicContact CG2-CH2 3.73Å; T23-W433 HydrophobicContact CG2-CZ3 3.71Å; A27-W433 HydrophobicContact CB-CH2 4.22Å; A27-W433 HydrophobicContact CB-CZ2 3.79Å; Y30-W433 AromaticContact CD2-CD1 3.74Å; Y30-W433 AromaticContact CD2-NE1 3.56Å; Y30-W433 AromaticContact CE2-CD1 3.53Å; Y30-W433 AromaticContact CE2-NE1 3.78Å; Y30-W433 AromaticContact CG-NE1 3.66Å; Y30-W433 AromaticContact CZ-CD1 3.87Å; I410-W433 HydrophobicContact CG2-CZ3 4.49Å; L413-W433 HydrophobicContact CD2-CH2 3.97Å; L413-W433 HydrophobicContact CG-CH2 3.88Å; L413-W433 HydrophobicContact CG-CZ2 4.33Å; A414-W433 HydrophobicContact CB-CB 4.06Å; A414-W433 HydrophobicContact CB-CD2 3.83Å; A414-W433 HydrophobicContact CB-CE3 3.51Å; A414-W433 HydrophobicContact CB-CG 4.08Å; A414-W433 HydrophobicContact CB-CZ3 4.21Å; C417-W433 HydrophobicContact CB-CZ2 4.25Å; C417-W433 VanDerWaalsContact SG-CZ2 3.56Å; K418-W433 HydrophobicContact CD-CB 4.23Å; K418-W433 HydrophobicContact CG-CB 4.27Å; S431-W433 PolarHBondContact O-N 3.45Å; S431-W433 PolarHBondContact OG-N 3.19Å; W433-L435 VanDerWaalsContact C-N 3.35Å; W433-V437 WeakPolarHBondContact O-CB 3.49Å; W433-V437 PolarHBondContact O-N 3.41Å; W433-F438 HydrophobicContact CB-CD2 4.21Å; W433-F438 HydrophobicContact CB-CE2 4.04Å; W433-F438 PolarHBondContact O-N 3.24Å |
| 434 | D | 83.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -63.1 | -44.6 | 172.8 | -69.2 | -61.3 | 0 | 0 | 0 | 110.8 | K418 K429 N430 S431 I432 F438 K439 R442 | K418-D434 IonicContact NZ-OD1 2.71Å; K418-D434 PolarHBondContact NZ-OD1 3.03Å; K418-D434 IonicContact NZ-OD2 3.91Å; K429-D434 VanDerWaalsContact C-CG 3.41Å; K429-D434 WeakPolarHBondContact CA-OD2 3.39Å; K429-D434 WeakPolarHBondContact O-CB 3.38Å; N430-D434 PolarHBondContact N-OD2 3.46Å; S431-D434 WeakPolarHBondContact CB-OD2 3.15Å; S431-D434 PolarHBondContact N-OD2 3.01Å; S431-D434 WeakPolarHBondContact O-CB 3.42Å; S431-D434 PolarHBondContact O-N 3.03Å; S431-D434 VanDerWaalsContact O-N 3.14Å; S431-D434 VanDerWaalsContact OG-CG 3.3Å; S431-D434 PolarHBondContact OG-N 3.01Å; S431-D434 VanDerWaalsContact OG-N 3.12Å; S431-D434 PolarHBondContact OG-OD2 2.82Å; I432-D434 VanDerWaalsContact C-N 3.32Å; I432-D434 PolarHBondContact O-N 3.39Å; D434-F438 PolarHBondContact O-N 3.25Å; D434-K439 WeakPolarHBondContact O-CA 3.29Å; D434-K439 WeakPolarHBondContact O-CB 3.31Å; D434-K439 PolarHBondContact O-N 3.33Å; D434-R442 IonicContact OD1-CZ 3.37Å; D434-R442 IonicContact OD1-NH1 3.47Å; D434-R442 PolarHBondContact OD1-NH1 3.49Å; D434-R442 IonicContact OD1-NH2 3.87Å; D434-R442 PolarHBondContact OD1-NH2 3.35Å |
| 435 | L | 79.7 | Confident | 85.5 | Confident | 118 Ų | 118 | 48.6 Ų | 48.6 | 62% | 0.618 | 25% | 0.251 | S | S | * | . | I | π-helix | trans | -67.1 | -41.9 | 178.6 | -176.6 | 63.9 | 0 | 0 | 0 | 112.6 | S431 I432 W433 | S431-L435 PolarHBondContact O-N 3.37Å; I432-L435 PolarHBondContact O-N 3.16Å; W433-L435 VanDerWaalsContact C-N 3.35Å |
| 436 | L | 80.4 | Confident | 85.8 | Confident | 96 Ų | 96 | 48.8 Ų | 48.8 | 50% | 0.503 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -82.8 | -34.5 | -173.1 | -67.5 | 176.6 | 0 | 0 | 0 | 114 | I432 | I432-L436 HydrophobicContact CD1-CD1 4.26Å; I432-L436 HydrophobicContact CG1-CD1 3.86Å; I432-L436 HydrophobicContact CG1-CG 4.24Å; I432-L436 WeakPolarHBondContact O-CB 3.29Å; I432-L436 VanDerWaalsContact O-CG 3.32Å; I432-L436 WeakPolarHBondContact O-CG 3.49Å; I432-L436 PolarHBondContact O-N 3.48Å |
| 437 | V | 85.4 | Confident | 86.1 | Confident | 22 Ų | 22 | 51 Ų | 51 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -123.6 | -61.4 | -167.8 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | I410 F411 A414 W433 | I410-V437 HydrophobicContact CG2-CG2 3.78Å; F411-V437 HydrophobicContact CD2-CG1 3.56Å; F411-V437 HydrophobicContact CE2-CG1 4.24Å; F411-V437 HydrophobicContact CG-CG1 4.47Å; A414-V437 HydrophobicContact CB-CB 4.35Å; A414-V437 HydrophobicContact CB-CG2 3.92Å; W433-V437 WeakPolarHBondContact O-CB 3.49Å; W433-V437 PolarHBondContact O-N 3.41Å |
| 438 | F | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -83.1 | -22.1 | -161.7 | -59.2 | -63 | 0 | 0 | 0 | 114.6 | F411 A414 M415 K418 W433 D434 N440 V441 R442 I469 C470 | F411-F438 HydrophobicContact CE2-CE1 4.11Å; A414-F438 HydrophobicContact CB-CE2 3.81Å; A414-F438 HydrophobicContact CB-CZ 3.89Å; M415-F438 HydrophobicContact CG-CZ 4.32Å; M415-F438 HydrophobicContact SD-CE1 3.81Å; M415-F438 HydrophobicContact SD-CZ 3.83Å; K418-F438 HydrophobicContact CD-CD2 3.56Å; K418-F438 HydrophobicContact CD-CE2 3.37Å; K418-F438 HydrophobicContact CD-CZ 4.41Å; K418-F438 HydrophobicContact CG-CE2 4.06Å; W433-F438 HydrophobicContact CB-CD2 4.21Å; W433-F438 HydrophobicContact CB-CE2 4.04Å; W433-F438 PolarHBondContact O-N 3.24Å; D434-F438 PolarHBondContact O-N 3.25Å; F438-N440 VanDerWaalsContact C-N 3.29Å; F438-N440 PolarHBondContact O-N 3.41Å; F438-V441 PolarHBondContact O-N 2.92Å; F438-V441 VanDerWaalsContact O-N 3.12Å; F438-R442 PolarHBondContact O-N 3.02Å; F438-I469 HydrophobicContact CE1-CG2 3.99Å; F438-I469 HydrophobicContact CE2-CG2 3.92Å; F438-I469 HydrophobicContact CZ-CG2 3.49Å; F438-I469 VanDerWaalsContact CZ-CG2 3.49Å; F438-C470 HydrophobicContact CD1-CB 4.01Å; F438-C470 HydrophobicContact CE1-CB 4.34Å |
| 439 | K | 87.7 | Confident | 87.1 | Confident | 103 Ų | 103 | 51.1 Ų | 51.1 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.3 | -42.9 | 178.2 | 179.1 | 177.8 | -177 | -178.4 | 0 | 112.4 | D434 V441 R442 A443 | D434-K439 WeakPolarHBondContact O-CA 3.29Å; D434-K439 WeakPolarHBondContact O-CB 3.31Å; D434-K439 PolarHBondContact O-N 3.33Å; K439-V441 VanDerWaalsContact C-N 3.35Å; K439-R442 PolarHBondContact O-N 2.76Å; K439-A443 VanDerWaalsContact O-CB 3.29Å; K439-A443 WeakPolarHBondContact O-CB 3.43Å; K439-A443 PolarHBondContact O-N 3.02Å |
| 440 | N | 85.9 | Confident | 87.6 | Confident | 117 Ų | 117 | 48.8 Ų | 48.8 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.1 | -38.6 | 180 | -68.3 | -22.1 | 0 | 0 | 0 | 111.7 | F438 | F438-N440 VanDerWaalsContact C-N 3.29Å; F438-N440 PolarHBondContact O-N 3.41Å |
| 441 | V | 86.7 | Confident | 88.2 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -46.1 | 177.2 | -173 | 0 | 0 | 0 | 0 | 110 | V397 F438 K439 A443 E444 F445 C470 | V397-V441 HydrophobicContact CG1-CG2 4.48Å; V397-V441 HydrophobicContact CG2-CG1 4.02Å; F438-V441 PolarHBondContact O-N 2.92Å; F438-V441 VanDerWaalsContact O-N 3.12Å; K439-V441 VanDerWaalsContact C-N 3.35Å; V441-A443 VanDerWaalsContact C-N 3.33Å; V441-A443 PolarHBondContact O-N 2.92Å; V441-E444 WeakPolarHBondContact O-CB 3.33Å; V441-E444 PolarHBondContact O-N 2.7Å; V441-E444 VanDerWaalsContact O-N 3.12Å; V441-F445 HydrophobicContact CG1-CE2 4.49Å; V441-F445 VanDerWaalsContact O-CD2 3.31Å; V441-F445 WeakPolarHBondContact O-CD2 3.43Å; V441-C470 VanDerWaalsContact CB-SG 3.54Å; V441-C470 WeakPolarHBondContact CG1-SG 3.49Å |
| 442 | R | 90.8 | Very high | 88.9 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -35.1 | 178 | -69.1 | -166 | -61.9 | -91.7 | 1.3 | 113.7 | D434 F438 K439 E444 F445 G446 D447 C470 F471 | D434-R442 IonicContact OD1-CZ 3.37Å; D434-R442 IonicContact OD1-NH1 3.47Å; D434-R442 PolarHBondContact OD1-NH1 3.49Å; D434-R442 IonicContact OD1-NH2 3.87Å; D434-R442 PolarHBondContact OD1-NH2 3.35Å; F438-R442 PolarHBondContact O-N 3.02Å; K439-R442 PolarHBondContact O-N 2.76Å; R442-E444 PolarHBondContact O-N 2.92Å; R442-F445 CarbonylContact O-C 3.46Å; R442-F445 WeakPolarHBondContact O-CA 3.46Å; R442-F445 PolarHBondContact O-N 2.96Å; R442-G446 PolarHBondContact O-N 2.88Å; R442-D447 HydrophobicContact CB-CB 4.28Å; R442-D447 WeakPolarHBondContact CB-OD1 3.28Å; R442-D447 WeakPolarHBondContact CD-OD1 3.46Å; R442-D447 IonicContact NE-OD1 3.84Å; R442-D447 PolarHBondContact NE-OD1 3.06Å; R442-D447 WeakPolarHBondContact O-CA 3.41Å; R442-D447 PolarHBondContact O-N 3.15Å; R442-C470 WeakPolarHBondContact CD-O 3.35Å; R442-C470 VanDerWaalsContact CG-O 3.23Å; R442-C470 WeakPolarHBondContact CG-O 3.5Å; R442-C470 PolarHBondContact NH1-O 2.88Å; R442-F471 WeakPolarHBondContact CD-O 3.37Å; R442-F471 HydrophobicContact CG-CD1 4.02Å |
| 443 | A | 90.8 | Very high | 89.6 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 37% | 0.372 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.1 | -30.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | K376 K439 V441 F445 G446 | K376-A443 WeakPolarHBondContact CG-O 3.45Å; K439-A443 VanDerWaalsContact O-CB 3.29Å; K439-A443 WeakPolarHBondContact O-CB 3.43Å; K439-A443 PolarHBondContact O-N 3.02Å; V441-A443 VanDerWaalsContact C-N 3.33Å; V441-A443 PolarHBondContact O-N 2.92Å; A443-F445 PolarHBondContact O-N 3.4Å; A443-G446 PolarHBondContact O-N 3.48Å |
| 444 | E | 89.1 | Confident | 89.9 | Confident | 77 Ų | 77 | 39.8 Ų | 39.8 | 36% | 0.36 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.3 | 174.8 | -65.7 | -64.6 | 119.6 | 0 | 0 | 113.9 | K376 V441 R442 | K376-E444 VanDerWaalsContact CE-CA 3.48Å; K376-E444 VanDerWaalsContact CE-OE1 3.3Å; K376-E444 WeakPolarHBondContact CE-OE1 3.46Å; K376-E444 WeakPolarHBondContact CE-OE2 3.26Å; K376-E444 IonicContact NZ-OE1 3.54Å; K376-E444 PolarHBondContact NZ-OE1 3.34Å; K376-E444 IonicContact NZ-OE2 3Å; K376-E444 PolarHBondContact NZ-OE2 3.39Å; V441-E444 WeakPolarHBondContact O-CB 3.33Å; V441-E444 PolarHBondContact O-N 2.7Å; V441-E444 VanDerWaalsContact O-N 3.12Å; R442-E444 PolarHBondContact O-N 2.92Å |
| 445 | F | 92.2 | Very high | 90.1 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 18.5 | -179.5 | -60.2 | -97.1 | 0 | 0 | 0 | 111.9 | M375 V393 V441 R442 A443 L449 F471 | M375-F445 HydrophobicContact CE-CB 4.08Å; M375-F445 HydrophobicContact CE-CD1 3.87Å; M375-F445 HydrophobicContact CE-CG 4.48Å; M375-F445 HydrophobicContact SD-CD1 3.71Å; M375-F445 HydrophobicContact SD-CE1 4.46Å; V393-F445 HydrophobicContact CB-CZ 4.39Å; V393-F445 HydrophobicContact CG1-CE2 4.17Å; V393-F445 HydrophobicContact CG1-CZ 3.63Å; V393-F445 HydrophobicContact CG2-CE1 4.12Å; V393-F445 HydrophobicContact CG2-CZ 3.77Å; V441-F445 HydrophobicContact CG1-CE2 4.49Å; V441-F445 VanDerWaalsContact O-CD2 3.31Å; V441-F445 WeakPolarHBondContact O-CD2 3.43Å; R442-F445 CarbonylContact O-C 3.46Å; R442-F445 WeakPolarHBondContact O-CA 3.46Å; R442-F445 PolarHBondContact O-N 2.96Å; A443-F445 PolarHBondContact O-N 3.4Å; F445-L449 HydrophobicContact CB-CD1 4.12Å; F445-F471 HydrophobicContact CB-CE1 3.82Å; F445-F471 HydrophobicContact CD1-CE1 4.34Å; F445-F471 HydrophobicContact CD1-CZ 4.29Å; F445-F471 AromaticContact CD2-CE1 3.39Å; F445-F471 HydrophobicContact CD2-CE1 3.39Å; F445-F471 AromaticContact CD2-CZ 3.56Å; F445-F471 HydrophobicContact CD2-CZ 3.56Å; F445-F471 HydrophobicContact CE1-CZ 4.4Å; F445-F471 HydrophobicContact CE2-CE1 4.02Å; F445-F471 AromaticContact CE2-CZ 3.68Å; F445-F471 HydrophobicContact CE2-CZ 3.68Å; F445-F471 AromaticContact CG-CE1 3.59Å; F445-F471 HydrophobicContact CG-CE1 3.59Å; F445-F471 AromaticContact CG-CZ 3.89Å; F445-F471 HydrophobicContact CG-CZ 3.89Å; F445-F471 HydrophobicContact CZ-CZ 4.11Å |
| 446 | G | 91.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 38 Ų | 38 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -0.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R442 A443 N448 | R442-G446 PolarHBondContact O-N 2.88Å; A443-G446 PolarHBondContact O-N 3.48Å; G446-N448 PolarHBondContact O-N 3.4Å |
| 447 | D | 92.1 | Very high | 89.6 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 56.3 | 14.4 | 175.8 | -158.1 | 28.5 | 0 | 0 | 0 | 116.1 | R442 | R442-D447 HydrophobicContact CB-CB 4.28Å; R442-D447 WeakPolarHBondContact CB-OD1 3.28Å; R442-D447 WeakPolarHBondContact CD-OD1 3.46Å; R442-D447 IonicContact NE-OD1 3.84Å; R442-D447 PolarHBondContact NE-OD1 3.06Å; R442-D447 WeakPolarHBondContact O-CA 3.41Å; R442-D447 PolarHBondContact O-N 3.15Å |
| 448 | N | 94.8 | Very high | 89.1 | Confident | 71 Ų | 71 | 37.4 Ų | 37.4 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | trans | -112.4 | -1.6 | -175 | -161.2 | 37.5 | 0 | 0 | 0 | 114.6 | K379 P380 T381 G446 S450 | K379-N448 HydrophobicContact CB-CB 4.03Å; K379-N448 WeakPolarHBondContact O-CB 3.32Å; K379-N448 PolarHBondContact O-ND2 3.29Å; P380-N448 CarbonylContact O-C 3.54Å; T381-N448 WeakPolarHBondContact CA-O 3.5Å; T381-N448 VanDerWaalsContact CG2-ND2 3.3Å; T381-N448 WeakPolarHBondContact CG2-ND2 3.39Å; G446-N448 PolarHBondContact O-N 3.4Å; N448-S450 PolarHBondContact O-N 3.06Å | ||
| 449 | L | 95.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -60.2 | 133.8 | -179.6 | -66.4 | 173.8 | 0 | 0 | 0 | 112.1 | M375 P380 F383 K429 F445 I452 F471 | M375-L449 HydrophobicContact CE-CD1 4.08Å; M375-L449 HydrophobicContact CE-CD2 4.19Å; P380-L449 HydrophobicContact CB-CD2 4.35Å; P380-L449 HydrophobicContact CG-CD2 3.99Å; P380-L449 WeakPolarHBondContact O-CD2 3.34Å; P380-L449 PolarHBondContact O-N 2.96Å; F383-L449 HydrophobicContact CB-CD2 3.6Å; F383-L449 HydrophobicContact CD1-CD1 4.31Å; K429-L449 PolarHBondContact NZ-O 3.29Å; F445-L449 HydrophobicContact CB-CD1 4.12Å; L449-I452 HydrophobicContact CD1-CD1 4.14Å; L449-I452 HydrophobicContact CD1-CG1 4.5Å; L449-F471 HydrophobicContact CD1-CD1 3.88Å; L449-F471 HydrophobicContact CD1-CE1 4.17Å; L449-F471 HydrophobicContact CD1-CG 4.44Å | ||
| 450 | S | 93.3 | Very high | 88 | Confident | 32 Ų | 32 | 34 Ų | 34 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | trans | -121.5 | -29.4 | 174.2 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | T381 N448 C473 V474 | T381-S450 PolarHBondContact O-N 2.88Å; T381-S450 PolarHBondContact O-OG 2.88Å; N448-S450 PolarHBondContact O-N 3.06Å; S450-C473 WeakPolarHBondContact O-CB 3.35Å; S450-V474 PolarHBondContact O-N 3.47Å | ||
| 451 | L | 95.2 | Very high | 87.7 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.3 | -178.9 | 177.4 | 61.1 | 0 | 0 | 0 | 111.4 | F325 T381 L382 F383 I453 V474 | F325-L451 HydrophobicContact CD1-CD1 4.06Å; F325-L451 HydrophobicContact CD1-CD2 4.06Å; F325-L451 HydrophobicContact CD2-CD2 4.27Å; F325-L451 HydrophobicContact CE1-CD1 3.66Å; F325-L451 HydrophobicContact CE1-CD2 3.92Å; F325-L451 HydrophobicContact CE1-CG 4.43Å; F325-L451 HydrophobicContact CE2-CD2 4.14Å; F325-L451 HydrophobicContact CG-CD2 4.24Å; F325-L451 HydrophobicContact CZ-CD1 4.28Å; F325-L451 HydrophobicContact CZ-CD2 3.95Å; T381-L451 PolarHBondContact O-N 3.36Å; T381-L451 VanDerWaalsContact O-N 3.16Å; L382-L451 WeakPolarHBondContact CA-O 3.27Å; L382-L451 HydrophobicContact CD2-CD2 4.3Å; L382-L451 HydrophobicContact CG-CB 4.28Å; L382-L451 HydrophobicContact CG-CD2 4.32Å; F383-L451 PolarHBondContact N-O 2.89Å; L451-I453 HydrophobicContact CD1-CG1 4.07Å; L451-I453 HydrophobicContact CD2-CD1 4.11Å; L451-I453 HydrophobicContact CD2-CG1 4.42Å; L451-I453 HydrophobicContact CG-CD1 4.29Å; L451-I453 HydrophobicContact CG-CG1 4.06Å; L451-V474 HydrophobicContact CD1-CB 3.93Å; L451-V474 HydrophobicContact CD1-CG1 3.71Å |
| 452 | I | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.8 | 172.7 | -59.1 | -179.6 | 0 | 0 | 0 | 107.2 | F383 V385 L449 F467 F471 C473 V474 V475 C476 | F383-I452 HydrophobicContact CB-CG1 4.27Å; F383-I452 HydrophobicContact CD1-CD1 4.36Å; F383-I452 HydrophobicContact CD1-CG1 4.4Å; F383-I452 HydrophobicContact CD1-CG2 4.44Å; F383-I452 WeakPolarHBondContact O-CA 3.44Å; V385-I452 HydrophobicContact CB-CG2 4.38Å; V385-I452 HydrophobicContact CG1-CG2 3.54Å; L449-I452 HydrophobicContact CD1-CD1 4.14Å; L449-I452 HydrophobicContact CD1-CG1 4.5Å; I452-F467 HydrophobicContact CD1-CD1 3.8Å; I452-F467 HydrophobicContact CD1-CE1 4.49Å; I452-F471 HydrophobicContact CD1-CB 4.26Å; I452-F471 HydrophobicContact CD1-CD2 3.97Å; I452-F471 HydrophobicContact CD1-CG 4.11Å; I452-C473 WeakPolarHBondContact CD1-SG 3.35Å; I452-C473 VanDerWaalsContact CG1-SG 3.59Å; I452-V474 PolarHBondContact N-O 3.05Å; I452-V475 HydrophobicContact CB-CG1 4.35Å; I452-V475 HydrophobicContact CB-CG2 4.22Å; I452-V475 HydrophobicContact CD1-CG2 4.45Å; I452-V475 HydrophobicContact CG2-CG1 4.27Å; I452-V475 VanDerWaalsContact O-CA 3.3Å; I452-V475 WeakPolarHBondContact O-CA 3.36Å; I452-C476 PolarHBondContact O-N 2.93Å |
| 453 | I | 95.3 | Very high | 87.4 | Confident | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121 | 178.3 | -59.1 | 173.2 | 0 | 0 | 0 | 107.7 | F325 F346 M350 F383 P384 V385 L451 L490 | F325-I453 HydrophobicContact CE2-CD1 4.2Å; F325-I453 HydrophobicContact CZ-CD1 3.65Å; F325-I453 HydrophobicContact CZ-CG1 4.29Å; F346-I453 HydrophobicContact CE2-CG2 3.91Å; F346-I453 HydrophobicContact CZ-CB 4.37Å; F346-I453 HydrophobicContact CZ-CG2 3.92Å; M350-I453 HydrophobicContact CE-CD1 3.78Å; M350-I453 HydrophobicContact SD-CD1 3.67Å; F383-I453 PolarHBondContact O-N 2.84Å; P384-I453 CarbonylContact C-O 3.51Å; P384-I453 WeakPolarHBondContact CA-O 3.43Å; V385-I453 PolarHBondContact N-O 2.76Å; L451-I453 HydrophobicContact CD1-CG1 4.07Å; L451-I453 HydrophobicContact CD2-CD1 4.11Å; L451-I453 HydrophobicContact CD2-CG1 4.42Å; L451-I453 HydrophobicContact CG-CD1 4.29Å; L451-I453 HydrophobicContact CG-CG1 4.06Å; I453-L490 HydrophobicContact CG2-CD1 4.28Å |
| 454 | S | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 143.7 | 174.1 | -160 | 0 | 0 | 0 | 0 | 111.8 | V385 M390 V459 C476 E477 G478 | V385-S454 VanDerWaalsContact O-CA 3.26Å; V385-S454 WeakPolarHBondContact O-CA 3.45Å; V385-S454 PolarHBondContact O-OG 2.9Å; M390-S454 PolarHBondContact SD-OG 3.29Å; M390-S454 VanDerWaalsContact SD-OG 3.37Å; S454-V459 WeakPolarHBondContact OG-CG2 3.3Å; S454-C476 PolarHBondContact N-O 3.07Å; S454-E477 WeakPolarHBondContact O-CA 3.36Å; S454-G478 PolarHBondContact O-N 3.48Å |
| 455 | G | 87.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | trans | -164.9 | -166.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V385 P387 A457 | V385-G455 PolarHBondContact O-N 3.45Å; P387-G455 VanDerWaalsContact CD-O 3.28Å; P387-G455 WeakPolarHBondContact CD-O 3.42Å; G455-A457 PolarHBondContact O-N 3.45Å; G455-A457 VanDerWaalsContact O-N 3.09Å | ||
| 456 | S | 74.6 | Confident | 87.3 | Confident | 79 Ų | 79 | 29.8 Ų | 29.8 | 55% | 0.552 | 19% | 0.186 | S | C | * | . | S | Bend | trans | 73 | -30.1 | -176.8 | -48.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 457 | A | 76 | Confident | 87.4 | Confident | 49 Ų | 49 | 29.3 Ų | 29.3 | 41% | 0.405 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -156 | 163.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P387 G455 | P387-A457 HydrophobicContact CG-CB 3.87Å; P387-A457 WeakPolarHBondContact CG-O 3.32Å; G455-A457 PolarHBondContact O-N 3.45Å; G455-A457 VanDerWaalsContact O-N 3.09Å |
| 458 | P | 73.7 | Confident | 87.4 | Confident | 56 Ų | 56 | 26.5 Ų | 26.5 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | trans | -64.9 | 144.1 | 178.2 | -22.4 | 34.6 | 0 | 0 | 0 | 113.3 | P387 | P387-P458 WeakPolarHBondContact CB-O 3.5Å; P387-P458 WeakPolarHBondContact CG-O 3.36Å | ||
| 459 | V | 76.3 | Confident | 87.2 | Confident | 10 Ų | 10 | 23.5 Ų | 23.5 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | trans | -111.7 | 148 | 169.1 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | P387 M390 S454 V463 L464 E477 | P387-V459 HydrophobicContact CB-CG2 3.77Å; P387-V459 HydrophobicContact CG-CG2 3.57Å; M390-V459 HydrophobicContact CE-CG1 4.35Å; M390-V459 HydrophobicContact SD-CG1 4.08Å; M390-V459 HydrophobicContact SD-CG2 3.88Å; S454-V459 WeakPolarHBondContact OG-CG2 3.3Å; V459-V463 HydrophobicContact CG1-CB 3.94Å; V459-V463 HydrophobicContact CG1-CG1 3.85Å; V459-L464 HydrophobicContact CB-CD1 4.25Å; V459-L464 HydrophobicContact CB-CD2 3.96Å; V459-L464 HydrophobicContact CB-CG 3.88Å; V459-L464 HydrophobicContact CG1-CD2 3.95Å; V459-L464 HydrophobicContact CG1-CG 3.74Å; V459-L464 HydrophobicContact CG2-CD2 4.33Å; V459-E477 PolarHBondContact N-OE1 3.03Å | ||
| 460 | S | 76.4 | Confident | 87 | Confident | 21 Ų | 21 | 23.3 Ų | 23.3 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | trans | -76.9 | 153.1 | 174.2 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | E462 V463 L464 H600 | S460-E462 PolarHBondContact O-N 3.01Å; S460-V463 PolarHBondContact O-N 3.22Å; S460-V463 WeakPolarHBondContact OG-CG2 3.4Å; S460-V463 PolarHBondContact OG-N 3.46Å; S460-L464 WeakPolarHBondContact O-CG 3.44Å; S460-L464 PolarHBondContact O-N 3.31Å; S460-H600 VanDerWaalsContact CB-CE1 3.45Å; S460-H600 WeakPolarHBondContact CB-CE1 3.5Å; S460-H600 WeakPolarHBondContact CB-NE2 2.89Å; S460-H600 PolarHBondContact OG-NE2 2.85Å; S460-H600 VanDerWaalsContact OG-NE2 3.11Å | ||
| 461 | A | 81 | Confident | 87 | Confident | 45 Ų | 45 | 22 Ų | 22 | 37% | 0.372 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -55.8 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N465 A498 | A461-N465 VanDerWaalsContact O-CB 3.26Å; A461-N465 WeakPolarHBondContact O-CB 3.45Å; A461-N465 VanDerWaalsContact O-CG 3.29Å; A461-N465 PolarHBondContact O-N 3.33Å; A461-N465 PolarHBondContact O-ND2 3.48Å; A461-A498 VanDerWaalsContact CA-CB 3.4Å; A461-A498 HydrophobicContact CB-CB 3.31Å |
| 462 | E | 84.4 | Confident | 86.7 | Confident | 105 Ų | 105 | 22.3 Ų | 22.3 | 49% | 0.491 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.1 | -44.9 | 179.9 | -174.7 | 173.1 | 179.6 | 0 | 0 | 111.2 | Y394 S460 F466 | Y394-E462 HydrophobicContact CE2-CG 4.4Å; Y394-E462 PolarHBondContact OH-OE1 3.47Å; S460-E462 PolarHBondContact O-N 3.01Å; E462-F466 VanDerWaalsContact O-CB 3.32Å; E462-F466 WeakPolarHBondContact O-CB 3.49Å; E462-F466 PolarHBondContact O-N 2.72Å |
| 463 | V | 85.7 | Confident | 86.5 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -72.9 | -42 | -178.7 | 175.1 | 0 | 0 | 0 | 0 | 111 | M390 N391 Y394 V459 S460 N465 F466 F467 | M390-V463 HydrophobicContact CB-CG1 3.68Å; M390-V463 HydrophobicContact CE-CG1 4.37Å; N391-V463 WeakPolarHBondContact OD1-CG2 3.41Å; Y394-V463 HydrophobicContact CD1-CG2 4.03Å; Y394-V463 HydrophobicContact CD2-CG2 4.37Å; Y394-V463 HydrophobicContact CG-CG2 3.93Å; V459-V463 HydrophobicContact CG1-CB 3.94Å; V459-V463 HydrophobicContact CG1-CG1 3.85Å; S460-V463 PolarHBondContact O-N 3.22Å; S460-V463 WeakPolarHBondContact OG-CG2 3.4Å; S460-V463 PolarHBondContact OG-N 3.46Å; V463-N465 PolarHBondContact O-N 2.86Å; V463-F466 WeakPolarHBondContact O-CB 3.24Å; V463-F466 PolarHBondContact O-N 3.11Å; V463-F467 HydrophobicContact CG1-CD2 4.17Å; V463-F467 HydrophobicContact CG1-CE2 4.19Å; V463-F467 WeakPolarHBondContact O-CD2 3.04Å; V463-F467 PolarHBondContact O-N 2.95Å |
| 464 | L | 89.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 173.8 | -72.6 | 170 | 0 | 0 | 0 | 111.6 | M390 V459 S460 F466 F467 R468 V475 E477 A498 | M390-L464 HydrophobicContact CE-CD2 4.21Å; V459-L464 HydrophobicContact CB-CD1 4.25Å; V459-L464 HydrophobicContact CB-CD2 3.96Å; V459-L464 HydrophobicContact CB-CG 3.88Å; V459-L464 HydrophobicContact CG1-CD2 3.95Å; V459-L464 HydrophobicContact CG1-CG 3.74Å; V459-L464 HydrophobicContact CG2-CD2 4.33Å; S460-L464 WeakPolarHBondContact O-CG 3.44Å; S460-L464 PolarHBondContact O-N 3.31Å; L464-F466 VanDerWaalsContact C-N 3.32Å; L464-F466 PolarHBondContact O-N 2.89Å; L464-F467 PolarHBondContact O-N 3.22Å; L464-F467 VanDerWaalsContact O-N 3.14Å; L464-R468 WeakPolarHBondContact O-CG 3.38Å; L464-R468 PolarHBondContact O-N 3.09Å; L464-V475 HydrophobicContact CD2-CG1 4.02Å; L464-E477 WeakPolarHBondContact CD1-OE2 3.12Å; L464-A498 HydrophobicContact CD1-CB 3.99Å |
| 465 | N | 89.4 | Confident | 86.4 | Confident | 51 Ų | 51 | 22.2 Ų | 22.2 | 27% | 0.273 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.1 | -36.4 | 179.7 | -74 | -29.8 | 0 | 0 | 0 | 112 | A461 V463 F467 R468 I469 | A461-N465 VanDerWaalsContact O-CB 3.26Å; A461-N465 WeakPolarHBondContact O-CB 3.45Å; A461-N465 VanDerWaalsContact O-CG 3.29Å; A461-N465 PolarHBondContact O-N 3.33Å; A461-N465 PolarHBondContact O-ND2 3.48Å; V463-N465 PolarHBondContact O-N 2.86Å; N465-F467 VanDerWaalsContact C-N 3.35Å; N465-F467 PolarHBondContact O-N 3.48Å; N465-R468 PolarHBondContact O-N 3.11Å; N465-R468 PolarHBondContact OD1-NH1 3.1Å; N465-I469 WeakPolarHBondContact O-CB 3.24Å; N465-I469 WeakPolarHBondContact O-CD1 3.39Å; N465-I469 VanDerWaalsContact O-CG1 3.24Å; N465-I469 WeakPolarHBondContact O-CG1 3.36Å; N465-I469 PolarHBondContact O-N 3.32Å |
| 466 | F | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.7 | -48.2 | 169.7 | 167 | -101.2 | 0 | 0 | 0 | 112.1 | V393 Y394 V397 F411 M415 E462 V463 L464 I469 C470 | V393-F466 HydrophobicContact CG1-CE1 4.34Å; Y394-F466 HydrophobicContact CD2-CB 3.73Å; Y394-F466 AromaticContact CD2-CD1 3.57Å; Y394-F466 HydrophobicContact CD2-CD1 3.57Å; Y394-F466 AromaticContact CD2-CD2 3.99Å; Y394-F466 HydrophobicContact CD2-CD2 3.99Å; Y394-F466 HydrophobicContact CD2-CE1 4.18Å; Y394-F466 AromaticContact CD2-CG 3.46Å; Y394-F466 HydrophobicContact CD2-CG 3.46Å; Y394-F466 VanDerWaalsContact CD2-CG 3.46Å; Y394-F466 HydrophobicContact CE2-CB 3.85Å; Y394-F466 HydrophobicContact CE2-CD1 4.44Å; Y394-F466 HydrophobicContact CE2-CD2 4.17Å; Y394-F466 AromaticContact CE2-CG 3.89Å; Y394-F466 HydrophobicContact CE2-CG 3.89Å; Y394-F466 HydrophobicContact CG-CD1 4.42Å; V397-F466 HydrophobicContact CB-CE2 4.32Å; V397-F466 HydrophobicContact CB-CZ 3.95Å; V397-F466 HydrophobicContact CG1-CE2 3.93Å; V397-F466 HydrophobicContact CG1-CZ 4Å; V397-F466 HydrophobicContact CG2-CZ 3.98Å; F411-F466 HydrophobicContact CE2-CE2 4.4Å; F411-F466 HydrophobicContact CZ-CD2 4.14Å; F411-F466 AromaticContact CZ-CE2 3.87Å; F411-F466 HydrophobicContact CZ-CE2 3.87Å; M415-F466 HydrophobicContact CE-CB 4.09Å; M415-F466 HydrophobicContact CE-CD2 4.1Å; M415-F466 HydrophobicContact SD-CD2 4.17Å; E462-F466 VanDerWaalsContact O-CB 3.32Å; E462-F466 WeakPolarHBondContact O-CB 3.49Å; E462-F466 PolarHBondContact O-N 2.72Å; V463-F466 WeakPolarHBondContact O-CB 3.24Å; V463-F466 PolarHBondContact O-N 3.11Å; L464-F466 VanDerWaalsContact C-N 3.32Å; L464-F466 PolarHBondContact O-N 2.89Å; F466-I469 PolarHBondContact O-N 3.42Å; F466-C470 HydrophobicContact CD2-CB 4.33Å; F466-C470 HydrophobicContact CE2-CB 3.98Å; F466-C470 HydrophobicContact CZ-CB 4.14Å; F466-C470 WeakPolarHBondContact O-CB 3.45Å; F466-C470 PolarHBondContact O-N 3.31Å |
| 467 | F | 93.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -47 | 178 | -88.9 | -109.8 | 0 | 0 | 0 | 111.9 | M390 V393 I452 V463 L464 N465 I469 C470 F471 V475 | M390-F467 HydrophobicContact CB-CD2 4.39Å; M390-F467 HydrophobicContact CB-CE2 3.7Å; M390-F467 HydrophobicContact CB-CZ 3.85Å; M390-F467 HydrophobicContact CE-CB 3.96Å; M390-F467 HydrophobicContact CE-CD1 3.8Å; M390-F467 HydrophobicContact CE-CD2 3.55Å; M390-F467 HydrophobicContact CE-CE1 4.18Å; M390-F467 HydrophobicContact CE-CE2 3.99Å; M390-F467 HydrophobicContact CE-CG 3.48Å; M390-F467 VanDerWaalsContact CE-CG 3.48Å; M390-F467 HydrophobicContact CE-CZ 4.29Å; M390-F467 HydrophobicContact CG-CE1 4.22Å; M390-F467 HydrophobicContact CG-CE2 4.12Å; M390-F467 HydrophobicContact CG-CZ 3.91Å; M390-F467 WeakPolarHBondContact O-CE2 3.49Å; V393-F467 HydrophobicContact CB-CE2 4.36Å; V393-F467 HydrophobicContact CB-CZ 3.9Å; V393-F467 HydrophobicContact CG1-CE2 4.4Å; V393-F467 HydrophobicContact CG1-CZ 3.97Å; V393-F467 HydrophobicContact CG2-CZ 4.42Å; I452-F467 HydrophobicContact CD1-CD1 3.8Å; I452-F467 HydrophobicContact CD1-CE1 4.49Å; V463-F467 HydrophobicContact CG1-CD2 4.17Å; V463-F467 HydrophobicContact CG1-CE2 4.19Å; V463-F467 WeakPolarHBondContact O-CD2 3.04Å; V463-F467 PolarHBondContact O-N 2.95Å; L464-F467 PolarHBondContact O-N 3.22Å; L464-F467 VanDerWaalsContact O-N 3.14Å; N465-F467 VanDerWaalsContact C-N 3.35Å; N465-F467 PolarHBondContact O-N 3.48Å; F467-I469 VanDerWaalsContact C-N 3.31Å; F467-I469 PolarHBondContact O-N 2.88Å; F467-C470 PolarHBondContact O-N 2.68Å; F467-F471 HydrophobicContact CB-CD2 4.24Å; F467-F471 AromaticContact CD1-CD2 3.63Å; F467-F471 HydrophobicContact CD1-CD2 3.63Å; F467-F471 AromaticContact CD1-CE2 3.45Å; F467-F471 HydrophobicContact CD1-CE2 3.45Å; F467-F471 VanDerWaalsContact CD1-CE2 3.45Å; F467-F471 HydrophobicContact CE1-CD2 4.21Å; F467-F471 AromaticContact CE1-CE2 3.57Å; F467-F471 HydrophobicContact CE1-CE2 3.57Å; F467-F471 HydrophobicContact CE1-CZ 4.38Å; F467-F471 HydrophobicContact CG-CD2 4.08Å; F467-F471 HydrophobicContact CG-CE2 4.03Å; F467-F471 HydrophobicContact CZ-CE2 4.21Å; F467-F471 WeakPolarHBondContact O-CB 3.46Å; F467-F471 WeakPolarHBondContact O-CD2 3.5Å; F467-F471 PolarHBondContact O-N 2.95Å; F467-V475 HydrophobicContact CB-CG1 4.36Å; F467-V475 HydrophobicContact CB-CG2 3.95Å |
| 468 | R | 92.4 | Very high | 88.6 | Confident | 9 Ų | 9 | 17 Ų | 17 | 3% | 0.034 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55 | -46.7 | 177.6 | -69.3 | 171.2 | -179.8 | 160.9 | -9.4 | 111.6 | V422 L464 N465 A472 V475 D495 D496 | V422-R468 HydrophobicContact CG1-CB 4.23Å; V422-R468 HydrophobicContact CG2-CB 4.22Å; L464-R468 WeakPolarHBondContact O-CG 3.38Å; L464-R468 PolarHBondContact O-N 3.09Å; N465-R468 PolarHBondContact O-N 3.11Å; N465-R468 PolarHBondContact OD1-NH1 3.1Å; R468-A472 WeakPolarHBondContact O-CA 3.24Å; R468-A472 PolarHBondContact O-N 3.45Å; R468-V475 HydrophobicContact CB-CG2 4.28Å; R468-V475 HydrophobicContact CG-CB 3.61Å; R468-V475 HydrophobicContact CG-CG2 3.58Å; R468-V475 PolarHBondContact NE-O 2.96Å; R468-D495 PolarHBondContact NH2-O 3.45Å; R468-D496 VanDerWaalsContact NH1-C 3.29Å; R468-D496 PolarHBondContact NH1-O 2.98Å |
| 469 | I | 91.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 15.1 Ų | 15.1 | 4% | 0.041 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -70.9 | -49.7 | -178 | -71.1 | 163.1 | 0 | 0 | 0 | 111.8 | M415 K418 V422 F438 N465 F466 F467 | M415-I469 HydrophobicContact CE-CB 4.23Å; M415-I469 HydrophobicContact CE-CD1 3.59Å; M415-I469 HydrophobicContact CE-CG2 4.28Å; M415-I469 WeakPolarHBondContact O-CD1 3.35Å; M415-I469 HydrophobicContact SD-CB 4.09Å; M415-I469 HydrophobicContact SD-CD1 4.25Å; M415-I469 HydrophobicContact SD-CG2 3.54Å; M415-I469 VanDerWaalsContact SD-CG2 3.54Å; K418-I469 HydrophobicContact CB-CB 4.37Å; K418-I469 HydrophobicContact CB-CG1 4.25Å; K418-I469 HydrophobicContact CB-CG2 3.53Å; K418-I469 HydrophobicContact CD-CG2 4.12Å; K418-I469 HydrophobicContact CG-CG2 4.35Å; K418-I469 PolarHBondContact NZ-O 3.45Å; V422-I469 HydrophobicContact CG2-CG1 3.89Å; F438-I469 HydrophobicContact CE1-CG2 3.99Å; F438-I469 HydrophobicContact CE2-CG2 3.92Å; F438-I469 HydrophobicContact CZ-CG2 3.49Å; F438-I469 VanDerWaalsContact CZ-CG2 3.49Å; N465-I469 WeakPolarHBondContact O-CB 3.24Å; N465-I469 WeakPolarHBondContact O-CD1 3.39Å; N465-I469 VanDerWaalsContact O-CG1 3.24Å; N465-I469 WeakPolarHBondContact O-CG1 3.36Å; N465-I469 PolarHBondContact O-N 3.32Å; F466-I469 PolarHBondContact O-N 3.42Å; F467-I469 VanDerWaalsContact C-N 3.31Å; F467-I469 PolarHBondContact O-N 2.88Å |
| 470 | C | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.3 | -48.9 | -171.2 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | F438 V441 R442 F466 F467 | F438-C470 HydrophobicContact CD1-CB 4.01Å; F438-C470 HydrophobicContact CE1-CB 4.34Å; V441-C470 VanDerWaalsContact CB-SG 3.54Å; V441-C470 WeakPolarHBondContact CG1-SG 3.49Å; R442-C470 WeakPolarHBondContact CD-O 3.35Å; R442-C470 VanDerWaalsContact CG-O 3.23Å; R442-C470 WeakPolarHBondContact CG-O 3.5Å; R442-C470 PolarHBondContact NH1-O 2.88Å; F466-C470 HydrophobicContact CD2-CB 4.33Å; F466-C470 HydrophobicContact CE2-CB 3.98Å; F466-C470 HydrophobicContact CZ-CB 4.14Å; F466-C470 WeakPolarHBondContact O-CB 3.45Å; F466-C470 PolarHBondContact O-N 3.31Å; F467-C470 PolarHBondContact O-N 2.68Å |
| 471 | F | 91.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 1% | 0.013 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -82.9 | -16.9 | 179.7 | -64.6 | -73.8 | 0 | 0 | 0 | 113.1 | K429 R442 F445 L449 I452 F467 C473 | K429-F471 VanDerWaalsContact CE-O 3.29Å; K429-F471 WeakPolarHBondContact CE-O 3.22Å; R442-F471 WeakPolarHBondContact CD-O 3.37Å; R442-F471 HydrophobicContact CG-CD1 4.02Å; F445-F471 HydrophobicContact CB-CE1 3.82Å; F445-F471 HydrophobicContact CD1-CE1 4.34Å; F445-F471 HydrophobicContact CD1-CZ 4.29Å; F445-F471 AromaticContact CD2-CE1 3.39Å; F445-F471 HydrophobicContact CD2-CE1 3.39Å; F445-F471 AromaticContact CD2-CZ 3.56Å; F445-F471 HydrophobicContact CD2-CZ 3.56Å; F445-F471 HydrophobicContact CE1-CZ 4.4Å; F445-F471 HydrophobicContact CE2-CE1 4.02Å; F445-F471 AromaticContact CE2-CZ 3.68Å; F445-F471 HydrophobicContact CE2-CZ 3.68Å; F445-F471 AromaticContact CG-CE1 3.59Å; F445-F471 HydrophobicContact CG-CE1 3.59Å; F445-F471 AromaticContact CG-CZ 3.89Å; F445-F471 HydrophobicContact CG-CZ 3.89Å; F445-F471 HydrophobicContact CZ-CZ 4.11Å; L449-F471 HydrophobicContact CD1-CD1 3.88Å; L449-F471 HydrophobicContact CD1-CE1 4.17Å; L449-F471 HydrophobicContact CD1-CG 4.44Å; I452-F471 HydrophobicContact CD1-CB 4.26Å; I452-F471 HydrophobicContact CD1-CD2 3.97Å; I452-F471 HydrophobicContact CD1-CG 4.11Å; F467-F471 HydrophobicContact CB-CD2 4.24Å; F467-F471 AromaticContact CD1-CD2 3.63Å; F467-F471 HydrophobicContact CD1-CD2 3.63Å; F467-F471 AromaticContact CD1-CE2 3.45Å; F467-F471 HydrophobicContact CD1-CE2 3.45Å; F467-F471 VanDerWaalsContact CD1-CE2 3.45Å; F467-F471 HydrophobicContact CE1-CD2 4.21Å; F467-F471 AromaticContact CE1-CE2 3.57Å; F467-F471 HydrophobicContact CE1-CE2 3.57Å; F467-F471 HydrophobicContact CE1-CZ 4.38Å; F467-F471 HydrophobicContact CG-CD2 4.08Å; F467-F471 HydrophobicContact CG-CE2 4.03Å; F467-F471 HydrophobicContact CZ-CE2 4.21Å; F467-F471 WeakPolarHBondContact O-CB 3.46Å; F467-F471 WeakPolarHBondContact O-CD2 3.5Å; F467-F471 PolarHBondContact O-N 2.95Å; F471-C473 HydrophobicContact CB-CB 4.31Å; F471-C473 WeakPolarHBondContact CB-SG 3.46Å; F471-C473 PolarHBondContact O-N 2.91Å |
| 472 | A | 89.9 | Confident | 91.8 | Very high | 10 Ų | 10 | 16.2 Ų | 16.2 | 8% | 0.083 | 9% | 0.094 | C | C | . | . | trans | 51.3 | 44.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R428 K429 R468 | R428-A472 VanDerWaalsContact O-CB 3.32Å; R428-A472 WeakPolarHBondContact O-CB 3.3Å; K429-A472 HydrophobicContact CG-CB 3.59Å; R468-A472 WeakPolarHBondContact O-CA 3.24Å; R468-A472 PolarHBondContact O-N 3.45Å | ||
| 473 | C | 91.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.007 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -133.9 | 163.5 | -175.5 | 72.6 | 0 | 0 | 0 | 0 | 109.4 | L427 S450 I452 F471 V475 | L427-C473 WeakPolarHBondContact CD1-O 3.42Å; S450-C473 WeakPolarHBondContact O-CB 3.35Å; I452-C473 WeakPolarHBondContact CD1-SG 3.35Å; I452-C473 VanDerWaalsContact CG1-SG 3.59Å; F471-C473 HydrophobicContact CB-CB 4.31Å; F471-C473 WeakPolarHBondContact CB-SG 3.46Å; F471-C473 PolarHBondContact O-N 2.91Å; C473-V475 PolarHBondContact O-N 2.75Å |
| 474 | V | 93 | Very high | 93 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.024 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.9 | 174 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | I41 H328 L427 S450 L451 I452 C476 E493 | I41-V474 HydrophobicContact CD1-CG2 4.17Å; H328-V474 WeakPolarHBondContact CE1-CG2 3.48Å; H328-V474 VanDerWaalsContact ND1-CG2 3.32Å; H328-V474 WeakPolarHBondContact ND1-CG2 3.45Å; L427-V474 HydrophobicContact CD1-CG2 3.96Å; S450-V474 PolarHBondContact O-N 3.47Å; L451-V474 HydrophobicContact CD1-CB 3.93Å; L451-V474 HydrophobicContact CD1-CG1 3.71Å; I452-V474 PolarHBondContact N-O 3.05Å; V474-C476 VanDerWaalsContact CG1-SG 3.53Å; V474-E493 HydrophobicContact CG1-CB 4.29Å; V474-E493 HydrophobicContact CG1-CG 4.09Å; V474-E493 HydrophobicContact CG2-CB 4.37Å; V474-E493 HydrophobicContact CG2-CG 4.48Å |
| 475 | V | 94.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.024 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 110.6 | 174.3 | -172.8 | 0 | 0 | 0 | 0 | 107.4 | M390 I452 L464 F467 R468 C473 | M390-V475 HydrophobicContact CE-CG1 4.32Å; I452-V475 HydrophobicContact CB-CG1 4.35Å; I452-V475 HydrophobicContact CB-CG2 4.22Å; I452-V475 HydrophobicContact CD1-CG2 4.45Å; I452-V475 HydrophobicContact CG2-CG1 4.27Å; I452-V475 VanDerWaalsContact O-CA 3.3Å; I452-V475 WeakPolarHBondContact O-CA 3.36Å; L464-V475 HydrophobicContact CD2-CG1 4.02Å; F467-V475 HydrophobicContact CB-CG1 4.36Å; F467-V475 HydrophobicContact CB-CG2 3.95Å; R468-V475 HydrophobicContact CB-CG2 4.28Å; R468-V475 HydrophobicContact CG-CB 3.61Å; R468-V475 HydrophobicContact CG-CG2 3.58Å; R468-V475 PolarHBondContact NE-O 2.96Å; C473-V475 PolarHBondContact O-N 2.75Å |
| 476 | C | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145.1 | 178.5 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | I452 S454 V474 L490 T491 | I452-C476 PolarHBondContact O-N 2.93Å; S454-C476 PolarHBondContact N-O 3.07Å; V474-C476 VanDerWaalsContact CG1-SG 3.53Å; C476-L490 HydrophobicContact CB-CD1 3.78Å; C476-L490 HydrophobicContact CB-CG 4.23Å; C476-T491 WeakPolarHBondContact CA-OG1 3.5Å; C476-T491 WeakPolarHBondContact CB-OG1 3.35Å; C476-T491 PolarHBondContact SG-O 3.5Å |
| 477 | E | 94 | Very high | 93.9 | Very high | 7 Ų | 7 | 10.8 Ų | 10.8 | 3% | 0.033 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.1 | 169.6 | -168.6 | 175.3 | -165.7 | 0 | 0 | 108.5 | S454 V459 L464 T491 V501 | S454-E477 WeakPolarHBondContact O-CA 3.36Å; V459-E477 PolarHBondContact N-OE1 3.03Å; L464-E477 WeakPolarHBondContact CD1-OE2 3.12Å; E477-T491 HydrophobicContact CB-CG2 4.25Å; E477-T491 PolarHBondContact N-OG1 2.99Å; E477-T491 PolarHBondContact O-N 2.86Å; E477-T491 PolarHBondContact O-OG1 2.74Å; E477-V501 HydrophobicContact CG-CG1 4.24Å |
| 478 | G | 93.5 | Very high | 94.1 | Very high | 18 Ų | 18 | 10.7 Ų | 10.7 | 19% | 0.186 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 146.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | S454 S489 | S454-G478 PolarHBondContact O-N 3.48Å; G478-S489 WeakPolarHBondContact CA-O 3.49Å |
| 479 | Y | 95.2 | Very high | 94.3 | Very high | 16 Ų | 16 | 10.3 Ų | 10.3 | 6% | 0.063 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.4 | 171.7 | 163.9 | -104.6 | 0 | 0 | 0 | 110.5 | A488 S489 V501 I529 D561 L571 L573 | Y479-A488 HydrophobicContact CD1-CB 3.99Å; Y479-A488 HydrophobicContact CE1-CB 4.13Å; Y479-A488 WeakPolarHBondContact O-CA 3.15Å; Y479-A488 WeakPolarHBondContact O-CB 3.45Å; Y479-A488 PolarHBondContact O-N 2.75Å; Y479-S489 PolarHBondContact N-O 3.23Å; Y479-S489 PolarHBondContact O-N 2.92Å; Y479-V501 HydrophobicContact CG-CG2 4.33Å; Y479-I529 HydrophobicContact CE1-CD1 4.2Å; Y479-I529 HydrophobicContact CE1-CG2 4.13Å; Y479-D561 HydrophobicContact CE2-CB 4.5Å; Y479-D561 WeakPolarHBondContact CE2-OD2 3.48Å; Y479-D561 PolarHBondContact OH-OD2 2.68Å; Y479-L571 HydrophobicContact CD1-CD2 3.98Å; Y479-L571 HydrophobicContact CE1-CD2 4.27Å; Y479-L573 HydrophobicContact CD1-CD2 4.16Å; Y479-L573 HydrophobicContact CD2-CD1 3.46Å; Y479-L573 VanDerWaalsContact CD2-CD1 3.46Å; Y479-L573 HydrophobicContact CD2-CD2 3.77Å; Y479-L573 HydrophobicContact CD2-CG 4.22Å; Y479-L573 HydrophobicContact CE1-CD2 4.3Å; Y479-L573 HydrophobicContact CE2-CD1 4.12Å; Y479-L573 HydrophobicContact CE2-CD2 3.9Å; Y479-L573 HydrophobicContact CG-CD1 3.96Å; Y479-L573 HydrophobicContact CG-CD2 3.9Å; Y479-L573 HydrophobicContact CG-CG 4.42Å |
| 480 | G | 94.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 10.5 Ų | 10.5 | 30% | 0.299 | 7% | 0.072 | S | C | . | . | trans | 167.1 | -171 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | A486 | G480-A486 CarbonylContact C-O 3.54Å; G480-A486 WeakPolarHBondContact CA-O 3.17Å | ||
| 481 | Q | 93.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 10.7 Ų | 10.7 | 17% | 0.168 | 7% | 0.073 | C | C | . | . | trans | -146.9 | 168 | -173.4 | 57.3 | 179.9 | -28.7 | 0 | 0 | 110.6 | E483 C484 V485 | Q481-E483 HydrophobicContact CG-CB 4.16Å; Q481-E483 PolarHBondContact O-N 2.72Å; Q481-C484 PolarHBondContact N-SG 2.97Å; Q481-C484 VanDerWaalsContact N-SG 3.41Å; Q481-C484 CarbonylContact O-C 3.49Å; Q481-C484 PolarHBondContact O-N 2.72Å; Q481-C484 VanDerWaalsContact O-N 3.11Å; Q481-C484 PolarHBondContact O-SG 3.03Å; Q481-V485 CarbonylContact O-C 3.59Å | ||
| 482 | T | 92.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 10.7 Ų | 10.7 | 21% | 0.209 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -60.5 | -36.4 | -179.4 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | C296 V308 M345 C484 V485 | C296-T482 HydrophobicContact CB-CG2 3.55Å; V308-T482 HydrophobicContact CB-CG2 3.89Å; V308-T482 HydrophobicContact CG1-CG2 4.04Å; V308-T482 HydrophobicContact CG2-CG2 3.89Å; M345-T482 HydrophobicContact CG-CG2 4.1Å; T482-C484 PolarHBondContact O-N 3.23Å; T482-C484 VanDerWaalsContact O-N 3.15Å; T482-V485 PolarHBondContact O-N 3.33Å |
| 483 | E | 96.6 | Very high | 95 | Very high | 14 Ų | 14 | 10.3 Ų | 10.3 | 7% | 0.065 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -64.2 | -11.3 | 178 | -67.7 | 86.6 | 160.8 | 0 | 0 | 114.4 | V308 Q481 F537 Y540 L557 | V308-E483 HydrophobicContact CG1-CG 4.35Å; V308-E483 HydrophobicContact CG2-CG 4.04Å; Q481-E483 HydrophobicContact CG-CB 4.16Å; Q481-E483 PolarHBondContact O-N 2.72Å; E483-F537 HydrophobicContact CB-CD1 3.96Å; E483-F537 HydrophobicContact CB-CD2 4.28Å; E483-F537 HydrophobicContact CB-CE1 4.05Å; E483-F537 HydrophobicContact CB-CE2 4.32Å; E483-F537 HydrophobicContact CB-CG 4.09Å; E483-F537 HydrophobicContact CB-CZ 4.22Å; E483-F537 HydrophobicContact CG-CD1 4.44Å; E483-F537 HydrophobicContact CG-CD2 4.04Å; E483-F537 HydrophobicContact CG-CE1 4.23Å; E483-F537 HydrophobicContact CG-CE2 3.75Å; E483-F537 HydrophobicContact CG-CG 4.36Å; E483-F537 HydrophobicContact CG-CZ 3.86Å; E483-F537 VanDerWaalsContact O-CB 3.31Å; E483-F537 WeakPolarHBondContact O-CB 3.46Å; E483-F537 VanDerWaalsContact O-CD1 3.26Å; E483-F537 WeakPolarHBondContact O-CD1 3.33Å; E483-F537 WeakPolarHBondContact O-CG 3.45Å; E483-F537 PolarHBondContact O-N 3.37Å; E483-Y540 HydrophobicContact CG-CE1 3.96Å; E483-Y540 WeakPolarHBondContact OE1-CE1 2.74Å; E483-Y540 PolarHBondContact OE1-OH 3.24Å; E483-L557 HydrophobicContact CB-CD1 4.41Å; E483-L557 HydrophobicContact CB-CD2 3.65Å |
| 484 | C | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -124.8 | 35.1 | 171.7 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | Q481 T482 A486 L531 N535 L557 | Q481-C484 PolarHBondContact N-SG 2.97Å; Q481-C484 VanDerWaalsContact N-SG 3.41Å; Q481-C484 CarbonylContact O-C 3.49Å; Q481-C484 PolarHBondContact O-N 2.72Å; Q481-C484 VanDerWaalsContact O-N 3.11Å; Q481-C484 PolarHBondContact O-SG 3.03Å; T482-C484 PolarHBondContact O-N 3.23Å; T482-C484 VanDerWaalsContact O-N 3.15Å; C484-A486 PolarHBondContact O-N 3.35Å; C484-L531 HydrophobicContact CB-CD1 3.78Å; C484-N535 CarbonylContact C-O 3.55Å; C484-N535 VanDerWaalsContact C-O 3.32Å; C484-N535 WeakPolarHBondContact CA-O 3.39Å; C484-N535 PolarHBondContact O-ND2 3.28Å; C484-L557 HydrophobicContact CB-CD2 4.44Å |
| 485 | V | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 66.5 | -83.8 | -170.2 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | L310 N314 I315 D318 M345 L349 Q481 T482 | L310-V485 HydrophobicContact CD1-CG2 4.25Å; L310-V485 HydrophobicContact CD2-CG2 3.86Å; N314-V485 HydrophobicContact CB-CG2 3.84Å; I315-V485 HydrophobicContact CG1-CG1 4.18Å; I315-V485 HydrophobicContact CG1-CG2 3.93Å; D318-V485 HydrophobicContact CB-CB 3.81Å; D318-V485 HydrophobicContact CB-CG1 3.73Å; D318-V485 HydrophobicContact CB-CG2 4.33Å; D318-V485 VanDerWaalsContact OD2-CB 3.26Å; D318-V485 WeakPolarHBondContact OD2-CB 3.37Å; D318-V485 VanDerWaalsContact OD2-CG1 3.25Å; D318-V485 WeakPolarHBondContact OD2-CG1 3.36Å; M345-V485 WeakPolarHBondContact CB-O 3.44Å; M345-V485 HydrophobicContact CE-CG1 3.68Å; M345-V485 VanDerWaalsContact CG-O 3.31Å; M345-V485 WeakPolarHBondContact CG-O 3.3Å; L349-V485 HydrophobicContact CD1-CG1 4.3Å; Q481-V485 CarbonylContact O-C 3.59Å; T482-V485 PolarHBondContact O-N 3.33Å |
| 486 | A | 95.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 12.8 Ų | 12.8 | 14% | 0.14 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -150.5 | -38.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D318 M345 L349 G480 C484 | D318-A486 PolarHBondContact OD2-N 2.89Å; M345-A486 HydrophobicContact CB-CB 4.07Å; L349-A486 HydrophobicContact CB-CB 4.21Å; L349-A486 HydrophobicContact CD2-CB 3.91Å; G480-A486 CarbonylContact C-O 3.54Å; G480-A486 WeakPolarHBondContact CA-O 3.17Å; C484-A486 PolarHBondContact O-N 3.35Å |
| 487 | A | 96.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 12% | 0.124 | 10% | 0.097 | C | C | . | . | trans | -111.5 | 102.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D318 V321 L349 C505 N508 | D318-A487 PolarHBondContact OD2-N 3.24Å; V321-A487 HydrophobicContact CG2-CB 4.31Å; L349-A487 HydrophobicContact CD2-CB 3.9Å; A487-C505 PolarHBondContact O-SG 3.43Å; A487-N508 PolarHBondContact O-ND2 2.83Å; A487-N508 VanDerWaalsContact O-ND2 3.08Å | ||
| 488 | A | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -84.7 | -42.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y479 C505 L531 | Y479-A488 HydrophobicContact CD1-CB 3.99Å; Y479-A488 HydrophobicContact CE1-CB 4.13Å; Y479-A488 WeakPolarHBondContact O-CA 3.15Å; Y479-A488 WeakPolarHBondContact O-CB 3.45Å; Y479-A488 PolarHBondContact O-N 2.75Å; A488-C505 PolarHBondContact O-N 3.21Å; A488-L531 HydrophobicContact CB-CD1 3.69Å; A488-L531 HydrophobicContact CB-CD2 3.87Å; A488-L531 HydrophobicContact CB-CG 4.46Å |
| 489 | S | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.7 | 179 | 72.5 | 0 | 0 | 0 | 0 | 111.3 | G478 Y479 V501 P503 | G478-S489 WeakPolarHBondContact CA-O 3.49Å; Y479-S489 PolarHBondContact N-O 3.23Å; Y479-S489 PolarHBondContact O-N 2.92Å; S489-V501 CarbonylContact C-O 3.45Å; S489-V501 VanDerWaalsContact C-O 3.25Å; S489-V501 WeakPolarHBondContact CB-O 3.37Å; S489-V501 WeakPolarHBondContact OG-CG2 3.08Å; S489-V501 PolarHBondContact OG-O 2.95Å; S489-P503 VanDerWaalsContact CA-O 3.27Å; S489-P503 WeakPolarHBondContact CA-O 3.35Å; S489-P503 WeakPolarHBondContact CB-O 3.37Å |
| 490 | L | 97.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 15.7 Ų | 15.7 | 7% | 0.068 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 131.5 | -179.2 | -175.7 | 70.8 | 0 | 0 | 0 | 111.3 | V321 A324 F325 I453 C476 V501 P503 | V321-L490 HydrophobicContact CG2-CB 4.31Å; V321-L490 HydrophobicContact CG2-CD2 3.72Å; A324-L490 HydrophobicContact CB-CD2 4.39Å; F325-L490 HydrophobicContact CE1-CD2 4.07Å; F325-L490 HydrophobicContact CE2-CD2 4.35Å; F325-L490 HydrophobicContact CZ-CD2 3.6Å; I453-L490 HydrophobicContact CG2-CD1 4.28Å; C476-L490 HydrophobicContact CB-CD1 3.78Å; C476-L490 HydrophobicContact CB-CG 4.23Å; L490-V501 CarbonylContact C-O 3.5Å; L490-V501 WeakPolarHBondContact CA-O 3.19Å; L490-V501 PolarHBondContact N-O 3.15Å; L490-V501 VanDerWaalsContact N-O 3.08Å; L490-P503 PolarHBondContact N-O 2.67Å; L490-P503 WeakPolarHBondContact O-CD 3.38Å |
| 491 | T | 95.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 144.9 | 173 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | C476 E477 Q500 | C476-T491 WeakPolarHBondContact CA-OG1 3.5Å; C476-T491 WeakPolarHBondContact CB-OG1 3.35Å; C476-T491 PolarHBondContact SG-O 3.5Å; E477-T491 HydrophobicContact CB-CG2 4.25Å; E477-T491 PolarHBondContact N-OG1 2.99Å; E477-T491 PolarHBondContact O-N 2.86Å; E477-T491 PolarHBondContact O-OG1 2.74Å; T491-Q500 HydrophobicContact CG2-CG 4.45Å; T491-Q500 VanDerWaalsContact CG2-O 3.29Å; T491-Q500 WeakPolarHBondContact CG2-O 3.4Å |
| 492 | L | 94 | Very high | 92.6 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 156 | -177.2 | -53.7 | -174.8 | 0 | 0 | 0 | 113.3 | Y44 V45 L48 Q51 G494 D495 P503 | Y44-L492 HydrophobicContact CD1-CD2 4.49Å; Y44-L492 HydrophobicContact CE1-CD2 3.41Å; Y44-L492 VanDerWaalsContact CE1-CD2 3.41Å; Y44-L492 HydrophobicContact CE2-CD2 4.46Å; Y44-L492 VanDerWaalsContact CZ-CD2 3.41Å; Y44-L492 WeakPolarHBondContact OH-CD2 3.37Å; V45-L492 HydrophobicContact CB-CD1 4.06Å; V45-L492 HydrophobicContact CG2-CD1 3.5Å; L48-L492 HydrophobicContact CD2-CB 4.27Å; L48-L492 HydrophobicContact CD2-CD1 3.98Å; Q51-L492 HydrophobicContact CB-CD1 3.99Å; Q51-L492 HydrophobicContact CG-CD1 3.78Å; L492-G494 PolarHBondContact O-N 3.09Å; L492-D495 HydrophobicContact CB-CB 4.42Å; L492-D495 WeakPolarHBondContact O-CB 3.48Å; L492-D495 PolarHBondContact O-N 3.34Å; L492-P503 HydrophobicContact CD1-CG 4.48Å; L492-P503 HydrophobicContact CD2-CG 3.72Å; L492-P503 HydrophobicContact CG-CG 4.15Å |
| 493 | E | 90.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 135.4 | 170.3 | -55.2 | -176.4 | 91.7 | 0 | 0 | 110.6 | I41 T43 F325 C326 A327 H328 V474 D495 | I41-E493 HydrophobicContact CG2-CB 3.7Å; T43-E493 WeakPolarHBondContact CG2-O 3.44Å; F325-E493 VanDerWaalsContact C-OE2 3.26Å; F325-E493 WeakPolarHBondContact CA-OE2 3.05Å; F325-E493 HydrophobicContact CD1-CG 3.97Å; C326-E493 PolarHBondContact N-OE2 2.94Å; A327-E493 PolarHBondContact N-OE2 2.83Å; H328-E493 WeakPolarHBondContact CB-OE1 3.5Å; H328-E493 IonicContact CE1-OE1 2.79Å; H328-E493 IonicContact CG-OE1 3.05Å; H328-E493 PolarHBondContact N-OE1 3.09Å; H328-E493 IonicContact ND1-OE1 3.97Å; H328-E493 PolarHBondContact ND1-OE1 3.37Å; V474-E493 HydrophobicContact CG1-CB 4.29Å; V474-E493 HydrophobicContact CG1-CG 4.09Å; V474-E493 HydrophobicContact CG2-CB 4.37Å; V474-E493 HydrophobicContact CG2-CG 4.48Å; E493-D495 PolarHBondContact O-N 2.8Å |
| 494 | G | 86.4 | Confident | 92.9 | Very high | 14 Ų | 14 | 10.7 Ų | 10.7 | 14% | 0.144 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | -2.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A425 L492 D496 | A425-G494 WeakPolarHBondContact CB-O 3.09Å; L492-G494 PolarHBondContact O-N 3.09Å; G494-D496 PolarHBondContact O-N 3.08Å |
| 495 | D | 89.8 | Confident | 92.9 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 2% | 0.016 | 8% | 0.08 | C | C | . | . | trans | -71.7 | 119.8 | 168.5 | -166.2 | 2.7 | 0 | 0 | 0 | 110 | L48 Q51 R468 L492 E493 V497 Q500 R568 | L48-D495 HydrophobicContact CD2-CB 4.47Å; Q51-D495 PolarHBondContact NE2-OD2 3.07Å; Q51-D495 PolarHBondContact OE1-OD2 3.42Å; R468-D495 PolarHBondContact NH2-O 3.45Å; L492-D495 HydrophobicContact CB-CB 4.42Å; L492-D495 WeakPolarHBondContact O-CB 3.48Å; L492-D495 PolarHBondContact O-N 3.34Å; E493-D495 PolarHBondContact O-N 2.8Å; D495-V497 PolarHBondContact OD1-N 2.85Å; D495-Q500 PolarHBondContact OD2-NE2 2.86Å; D495-R568 IonicContact OD1-CZ 3.97Å; D495-R568 IonicContact OD1-NH2 3.93Å; D495-R568 PolarHBondContact OD1-NH2 3.2Å | ||
| 496 | D | 87.1 | Confident | 92.9 | Very high | 43 Ų | 43 | 11 Ų | 11 | 23% | 0.23 | 8% | 0.08 | C | C | . | . | trans | -93.4 | -12.5 | -178.9 | 73.8 | -52.1 | 0 | 0 | 0 | 112.8 | V422 K423 R468 G494 | V422-D496 HydrophobicContact CG1-CB 3.99Å; K423-D496 WeakPolarHBondContact CG-OD2 3.44Å; R468-D496 VanDerWaalsContact NH1-C 3.29Å; R468-D496 PolarHBondContact NH1-O 2.98Å; G494-D496 PolarHBondContact O-N 3.08Å | ||
| 497 | V | 87.9 | Confident | 93 | Very high | 40 Ų | 40 | 10.1 Ų | 10.1 | 24% | 0.242 | 7% | 0.074 | C | C | . | . | trans | -70 | 141.4 | 179.7 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | D495 Q500 | D495-V497 PolarHBondContact OD1-N 2.85Å; V497-Q500 HydrophobicContact CG1-CG 4.28Å | ||
| 498 | A | 83.5 | Confident | 93 | Very high | 20 Ų | 20 | 9.4 Ų | 9.4 | 17% | 0.165 | 7% | 0.068 | C | C | . | . | trans | -125 | 169 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | A461 L464 Q500 | A461-A498 VanDerWaalsContact CA-CB 3.4Å; A461-A498 HydrophobicContact CB-CB 3.31Å; L464-A498 HydrophobicContact CD1-CB 3.99Å; A498-Q500 VanDerWaalsContact C-N 3.28Å | ||
| 499 | G | 79.7 | Confident | 93 | Very high | 39 Ų | 39 | 10.1 Ų | 10.1 | 40% | 0.402 | 7% | 0.071 | S | C | . | . | S | Bend | trans | 71.2 | 28.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R572 | G499-R572 VanDerWaalsContact O-CG 3.29Å; G499-R572 WeakPolarHBondContact O-CG 3.43Å; G499-R572 PolarHBondContact O-NE 2.86Å |
| 500 | Q | 90.7 | Very high | 93 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | trans | -146.3 | 154.1 | 174.6 | 66.3 | -179.1 | 20.8 | 0 | 0 | 108.7 | T491 D495 V497 A498 T570 L571 | T491-Q500 HydrophobicContact CG2-CG 4.45Å; T491-Q500 VanDerWaalsContact CG2-O 3.29Å; T491-Q500 WeakPolarHBondContact CG2-O 3.4Å; D495-Q500 PolarHBondContact OD2-NE2 2.86Å; V497-Q500 HydrophobicContact CG1-CG 4.28Å; A498-Q500 VanDerWaalsContact C-N 3.28Å; Q500-T570 VanDerWaalsContact CD-OG1 3.27Å; Q500-T570 PolarHBondContact OE1-OG1 3.18Å; Q500-L571 CarbonylContact C-O 2.85Å; Q500-L571 WeakPolarHBondContact CA-O 3.42Å | ||
| 501 | V | 93.9 | Very high | 93 | Very high | 7 Ų | 7 | 10.5 Ų | 10.5 | 4% | 0.042 | 7% | 0.072 | C | C | . | . | trans | -116.3 | 21.9 | -175.8 | -65 | 0 | 0 | 0 | 0 | 111.9 | E477 Y479 S489 L490 L571 L573 | E477-V501 HydrophobicContact CG-CG1 4.24Å; Y479-V501 HydrophobicContact CG-CG2 4.33Å; S489-V501 CarbonylContact C-O 3.45Å; S489-V501 VanDerWaalsContact C-O 3.25Å; S489-V501 WeakPolarHBondContact CB-O 3.37Å; S489-V501 WeakPolarHBondContact OG-CG2 3.08Å; S489-V501 PolarHBondContact OG-O 2.95Å; L490-V501 CarbonylContact C-O 3.5Å; L490-V501 WeakPolarHBondContact CA-O 3.19Å; L490-V501 PolarHBondContact N-O 3.15Å; L490-V501 VanDerWaalsContact N-O 3.08Å; V501-L571 HydrophobicContact CG2-CB 3.94Å; V501-L571 HydrophobicContact CG2-CD2 4.08Å; V501-L571 HydrophobicContact CG2-CG 4.03Å; V501-L571 VanDerWaalsContact CG2-O 3.27Å; V501-L571 WeakPolarHBondContact CG2-O 3.33Å; V501-L571 PolarHBondContact N-O 3.13Å; V501-L573 HydrophobicContact CG1-CD1 4.07Å; V501-L573 HydrophobicContact CG1-CG 4.22Å; V501-L573 HydrophobicContact CG2-CD2 4.26Å; V501-L573 HydrophobicContact CG2-CG 4.02Å | ||
| 502 | G | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | 75.6 | -174.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L571 | G502-L571 PolarHBondContact O-N 3.47Š| ||
| 503 | P | 97.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -75.2 | 168.9 | 173.7 | 33.2 | -38.5 | 0 | 0 | 0 | 112.3 | Q51 S489 L490 L492 | Q51-P503 HydrophobicContact CB-CB 4.19Å; Q51-P503 HydrophobicContact CB-CG 4.08Å; Q51-P503 WeakPolarHBondContact O-CB 3.3Å; Q51-P503 WeakPolarHBondContact O-CG 3.05Å; S489-P503 VanDerWaalsContact CA-O 3.27Å; S489-P503 WeakPolarHBondContact CA-O 3.35Å; S489-P503 WeakPolarHBondContact CB-O 3.37Å; L490-P503 PolarHBondContact N-O 2.67Å; L490-P503 WeakPolarHBondContact O-CD 3.38Å; L492-P503 HydrophobicContact CD1-CG 4.48Å; L492-P503 HydrophobicContact CD2-CG 3.72Å; L492-P503 HydrophobicContact CG-CG 4.15Å |
| 504 | P | 98.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -52.4 | 142.1 | 172.6 | -25.5 | 34.4 | 0 | 0 | 0 | 112.9 | R62 S64 N508 I510 W565 | R62-P504 HydrophobicContact CB-CG 4.24Å; S64-P504 VanDerWaalsContact CB-O 3.31Å; S64-P504 WeakPolarHBondContact CB-O 3.28Å; P504-N508 WeakPolarHBondContact CB-O 3.16Å; P504-I510 HydrophobicContact CB-CD1 4.03Å; P504-I510 HydrophobicContact CB-CG1 3.98Å; P504-I510 HydrophobicContact CG-CB 4.14Å; P504-I510 HydrophobicContact CG-CD1 3.94Å; P504-I510 HydrophobicContact CG-CG1 3.87Å; P504-W565 HydrophobicContact CG-CH2 4.22Å |
| 505 | C | 97.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 3% | 0.027 | 10% | 0.097 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 155.1 | 167.1 | -68 | 0 | 0 | 0 | 0 | 110.4 | V321 A487 A488 A507 N508 | V321-C505 HydrophobicContact CG2-CB 4.35Å; V321-C505 VanDerWaalsContact CG2-SG 3.52Å; A487-C505 PolarHBondContact O-SG 3.43Å; A488-C505 PolarHBondContact O-N 3.21Å; C505-A507 PolarHBondContact O-N 3.29Å; C505-N508 PolarHBondContact O-N 2.91Å |
| 506 | P | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.3 | -174.7 | -23.8 | 35.3 | 0 | 0 | 0 | 115.5 | L66 C67 L72 K73 | L66-P506 HydrophobicContact CB-CB 4.27Å; L66-P506 HydrophobicContact CB-CG 3.94Å; L66-P506 HydrophobicContact CD1-CG 3.53Å; L66-P506 HydrophobicContact CG-CG 4.38Å; C67-P506 PolarHBondContact SG-O 3.07Å; C67-P506 VanDerWaalsContact SG-O 3.34Å; L72-P506 WeakPolarHBondContact CD2-O 3.37Å; K73-P506 HydrophobicContact CB-CB 3.98Å; K73-P506 HydrophobicContact CD-CB 3.81Å; K73-P506 HydrophobicContact CG-CB 3.87Å; K73-P506 PolarHBondContact N-O 2.92Å |
| 507 | A | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 3.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | A317 C505 G533 P534 N535 | A317-A507 HydrophobicContact CB-CB 4.14Å; A317-A507 VanDerWaalsContact O-CB 3.26Å; A317-A507 WeakPolarHBondContact O-CB 3.15Å; C505-A507 PolarHBondContact O-N 3.29Å; A507-G533 WeakPolarHBondContact O-CA 3.17Å; A507-P534 HydrophobicContact CB-CG 4.16Å; A507-P534 WeakPolarHBondContact O-CD 3.41Å; A507-N535 HydrophobicContact CB-CB 4.25Å; A507-N535 PolarHBondContact O-OD1 3.19Å |
| 508 | N | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -129.5 | 141.2 | -177.5 | -71.1 | -87.6 | 0 | 0 | 0 | 113 | A487 P504 C505 N535 | A487-N508 PolarHBondContact O-ND2 2.83Å; A487-N508 VanDerWaalsContact O-ND2 3.08Å; P504-N508 WeakPolarHBondContact CB-O 3.16Å; C505-N508 PolarHBondContact O-N 2.91Å; N508-N535 VanDerWaalsContact CG-OD1 3.24Å; N508-N535 VanDerWaalsContact ND2-CG 3.33Å; N508-N535 PolarHBondContact ND2-ND2 2.98Å; N508-N535 PolarHBondContact ND2-OD1 3.4Å; N508-N535 VanDerWaalsContact OD1-CG 3.29Å; N508-N535 PolarHBondContact OD1-ND2 3.49Å; N508-N535 PolarHBondContact OD1-OD1 3.31Å | ||
| 509 | L | 98 | Very high | 92.4 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 7% | 0.073 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 145 | 151.2 | -62 | 171.9 | 0 | 0 | 0 | 109.2 | H55 I63 L72 L531 K532 W556 | H55-L509 HydrophobicContact CB-CD2 4.07Å; I63-L509 HydrophobicContact CB-CD2 3.66Å; I63-L509 HydrophobicContact CD1-CD2 3.85Å; I63-L509 HydrophobicContact CG1-CD2 3.75Å; L72-L509 HydrophobicContact CD1-CG 4.12Å; L72-L509 HydrophobicContact CD2-CD2 4.18Å; L72-L509 HydrophobicContact CD2-CG 4.13Å; L72-L509 HydrophobicContact CG-CG 4.42Å; L509-L531 WeakPolarHBondContact O-CA 3.26Å; L509-K532 HydrophobicContact CB-CB 4.49Å; L509-K532 WeakPolarHBondContact CB-O 3.3Å; L509-K532 PolarHBondContact N-O 2.85Å; L509-K532 PolarHBondContact O-N 3.5Å; L509-W556 HydrophobicContact CB-CH2 3.69Å; L509-W556 HydrophobicContact CB-CZ3 4.03Å; L509-W556 HydrophobicContact CD1-CH2 4.44Å |
| 510 | I | 98.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.5 | 173 | -54.5 | -174.1 | 0 | 0 | 0 | 108.7 | S61 R62 P504 I529 C530 L531 W565 L571 | S61-I510 CarbonylContact C-O 3.45Å; S61-I510 WeakPolarHBondContact CA-O 3.35Å; R62-I510 PolarHBondContact N-O 3.49Å; R62-I510 PolarHBondContact O-N 3.28Å; R62-I510 VanDerWaalsContact O-N 3.12Å; P504-I510 HydrophobicContact CB-CD1 4.03Å; P504-I510 HydrophobicContact CB-CG1 3.98Å; P504-I510 HydrophobicContact CG-CB 4.14Å; P504-I510 HydrophobicContact CG-CD1 3.94Å; P504-I510 HydrophobicContact CG-CG1 3.87Å; I510-I529 HydrophobicContact CG2-CG2 3.86Å; I510-C530 WeakPolarHBondContact CA-O 3.19Å; I510-L531 HydrophobicContact CB-CD2 4.43Å; I510-L531 HydrophobicContact CD1-CD2 4.04Å; I510-L531 HydrophobicContact CG1-CD2 3.7Å; I510-L531 HydrophobicContact CG2-CD2 4.29Å; I510-W565 HydrophobicContact CB-CH2 3.8Å; I510-W565 HydrophobicContact CB-CZ2 3.92Å; I510-W565 HydrophobicContact CG2-CH2 3.76Å; I510-W565 HydrophobicContact CG2-CZ2 3.68Å; I510-L571 HydrophobicContact CD1-CD2 4.28Å |
| 511 | K | 97.2 | Very high | 92.9 | Very high | 21 Ų | 21 | 27.3 Ų | 27.3 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 161.6 | 166.3 | 74.6 | 177.7 | -179.7 | -172.2 | 0 | 110.2 | V513 C530 D552 W556 | K511-V513 HydrophobicContact CD-CG2 4.18Å; K511-V513 HydrophobicContact CG-CG2 4.22Å; K511-C530 HydrophobicContact CG-CB 3.82Å; K511-C530 PolarHBondContact N-O 3.29Å; K511-C530 PolarHBondContact O-N 2.75Å; K511-D552 IonicContact NZ-OD2 3.45Å; K511-W556 HydrophobicContact CB-CH2 3.95Å; K511-W556 HydrophobicContact CB-CZ2 4.43Å; K511-W556 HydrophobicContact CB-CZ3 4.03Å; K511-W556 HydrophobicContact CD-CD2 3.73Å; K511-W556 HydrophobicContact CD-CE3 4Å; K511-W556 HydrophobicContact CD-CG 4.3Å; K511-W556 HydrophobicContact CD-CH2 4.04Å; K511-W556 HydrophobicContact CD-CZ2 3.75Å; K511-W556 HydrophobicContact CD-CZ3 4.16Å; K511-W556 VanDerWaalsContact CE-CG 3.45Å; K511-W556 HydrophobicContact CG-CD2 4.05Å; K511-W556 HydrophobicContact CG-CE3 3.77Å; K511-W556 HydrophobicContact CG-CH2 3.91Å; K511-W556 HydrophobicContact CG-CZ2 4.17Å; K511-W556 HydrophobicContact CG-CZ3 3.71Å; K511-W556 VanDerWaalsContact NZ-NE1 3.15Å |
| 512 | L | 97.6 | Very high | 92.8 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137 | 169.2 | -58 | 179.6 | 0 | 0 | 0 | 108.7 | A522 D525 E528 I529 W565 L571 | L512-A522 HydrophobicContact CB-CB 4.42Å; L512-A522 VanDerWaalsContact O-CB 3.26Å; L512-A522 WeakPolarHBondContact O-CB 3.43Å; L512-D525 VanDerWaalsContact CD1-C 3.48Å; L512-D525 WeakPolarHBondContact CD1-O 3.17Å; L512-E528 CarbonylContact C-O 3.58Å; L512-E528 VanDerWaalsContact CA-O 3.31Å; L512-E528 WeakPolarHBondContact CA-O 3.47Å; L512-I529 HydrophobicContact CD2-CB 4.47Å; L512-I529 HydrophobicContact CD2-CG1 3.88Å; L512-W565 VanDerWaalsContact CD1-CD1 3.43Å; L512-W565 HydrophobicContact CD1-CG 4.06Å; L512-L571 HydrophobicContact CD2-CD1 4.29Å |
| 513 | V | 95.8 | Very high | 92.7 | Very high | 43 Ų | 43 | 34 Ų | 34 | 26% | 0.261 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.5 | 178.1 | 178 | 0 | 0 | 0 | 0 | 109.6 | K511 G527 E528 C530 | K511-V513 HydrophobicContact CD-CG2 4.18Å; K511-V513 HydrophobicContact CG-CG2 4.22Å; V513-G527 CarbonylContact O-C 3.55Å; V513-G527 VanDerWaalsContact O-CA 3.25Å; V513-G527 WeakPolarHBondContact O-CA 3.33Å; V513-E528 PolarHBondContact N-O 2.85Å; V513-E528 PolarHBondContact O-N 3.37Å; V513-C530 HydrophobicContact CG2-CB 4.34Å; V513-C530 VanDerWaalsContact CG2-SG 3.59Å |
| 514 | D | 95 | Very high | 92.4 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | trans | -54.3 | 141.1 | 179 | -61.9 | -13.4 | 0 | 0 | 0 | 111.9 | P516 F521 A522 | D514-P516 HydrophobicContact CB-CG 4.17Å; D514-F521 HydrophobicContact CB-CD1 4.39Å; D514-F521 WeakPolarHBondContact OD1-CA 3.41Å; D514-A522 WeakPolarHBondContact OD1-CB 3.35Å; D514-A522 PolarHBondContact OD1-N 3.36Å | ||
| 515 | V | 90.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -126.1 | 74.9 | 167.5 | -171.5 | 0 | 0 | 0 | 0 | 106.9 | E517 M518 N519 Y520 E528 I562 K577 | V515-E517 HydrophobicContact CG1-CG 3.91Å; V515-E517 WeakPolarHBondContact CG1-OE1 3.48Å; V515-E517 PolarHBondContact O-N 3.04Å; V515-M518 HydrophobicContact CG1-CB 3.95Å; V515-M518 HydrophobicContact CG1-CG 3.91Å; V515-M518 HydrophobicContact CG1-SD 3.9Å; V515-M518 CarbonylContact O-C 3.51Å; V515-M518 PolarHBondContact O-N 2.62Å; V515-N519 PolarHBondContact O-N 3.06Å; V515-Y520 CarbonylContact C-O 3.52Å; V515-Y520 PolarHBondContact N-O 3.42Å; V515-Y520 PolarHBondContact O-N 3.07Å; V515-E528 HydrophobicContact CG2-CB 3.72Å; V515-I562 HydrophobicContact CG2-CD1 3.79Å; V515-K577 HydrophobicContact CG1-CD 4.12Å; V515-K577 HydrophobicContact CG1-CG 4.25Å; V515-K577 HydrophobicContact CG2-CD 4.38Å |
| 516 | P | 85.6 | Confident | 92.1 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -59 | -32.8 | -172.7 | -23.4 | 34.1 | 0 | 0 | 0 | 112.4 | D514 M518 N519 F521 | D514-P516 HydrophobicContact CB-CG 4.17Å; P516-M518 PolarHBondContact O-N 2.95Å; P516-N519 PolarHBondContact O-N 3.24Å; P516-N519 VanDerWaalsContact O-N 3.12Å; P516-F521 HydrophobicContact CB-CE1 4.11Å; P516-F521 HydrophobicContact CG-CE1 4.34Å |
| 517 | E | 79.2 | Confident | 92 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -62.6 | -11.7 | 175.8 | 65.1 | -89.7 | -155.3 | 0 | 0 | 113.9 | V515 K577 Y588 | V515-E517 HydrophobicContact CG1-CG 3.91Å; V515-E517 WeakPolarHBondContact CG1-OE1 3.48Å; V515-E517 PolarHBondContact O-N 3.04Å; E517-K577 WeakPolarHBondContact OE1-CE 3.36Å; E517-K577 IonicContact OE1-NZ 3.07Å; E517-K577 PolarHBondContact OE1-NZ 3.49Å; E517-Y588 WeakPolarHBondContact O-CE1 3.29Å; E517-Y588 PolarHBondContact O-OH 2.9Å |
| 518 | M | 76.7 | Confident | 92 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -122.3 | 7.4 | 177.1 | -65.6 | 179.6 | -177.3 | 0 | 0 | 113.3 | V515 P516 Y520 K577 I580 Y588 | V515-M518 HydrophobicContact CG1-CB 3.95Å; V515-M518 HydrophobicContact CG1-CG 3.91Å; V515-M518 HydrophobicContact CG1-SD 3.9Å; V515-M518 CarbonylContact O-C 3.51Å; V515-M518 PolarHBondContact O-N 2.62Å; P516-M518 PolarHBondContact O-N 2.95Å; M518-Y520 HydrophobicContact CB-CD2 3.63Å; M518-Y520 HydrophobicContact CB-CE2 4Å; M518-Y520 PolarHBondContact O-N 3.39Å; M518-K577 HydrophobicContact CE-CG 4.14Å; M518-K577 WeakPolarHBondContact CE-O 3.41Å; M518-K577 HydrophobicContact SD-CG 4.34Å; M518-I580 HydrophobicContact CE-CB 3.96Å; M518-I580 HydrophobicContact CE-CG2 4.26Å; M518-I580 HydrophobicContact CG-CG2 4.25Å; M518-I580 HydrophobicContact SD-CB 3.78Å; M518-I580 HydrophobicContact SD-CD1 3.77Å; M518-I580 HydrophobicContact SD-CG1 4.36Å; M518-I580 HydrophobicContact SD-CG2 3.85Å; M518-Y588 HydrophobicContact CB-CD1 4.32Å; M518-Y588 HydrophobicContact CB-CE1 4.47Å; M518-Y588 HydrophobicContact CG-CD1 4.1Å; M518-Y588 HydrophobicContact CG-CE1 4.14Å |
| 519 | N | 82.5 | Confident | 92.1 | Very high | 106 Ų | 106 | 43.3 Ų | 43.3 | 57% | 0.567 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 33.5 | -173.2 | -58.3 | -36.2 | 0 | 0 | 0 | 113.7 | V515 P516 F521 | V515-N519 PolarHBondContact O-N 3.06Å; P516-N519 PolarHBondContact O-N 3.24Å; P516-N519 VanDerWaalsContact O-N 3.12Å; N519-F521 HydrophobicContact CB-CE2 4.33Å |
| 520 | Y | 89.5 | Confident | 92.1 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -100.7 | 124.8 | 166.5 | -67.4 | -64.3 | 0 | 0 | 0 | 109 | V515 M518 C526 I562 I574 I580 | V515-Y520 CarbonylContact C-O 3.52Å; V515-Y520 PolarHBondContact N-O 3.42Å; V515-Y520 PolarHBondContact O-N 3.07Å; M518-Y520 HydrophobicContact CB-CD2 3.63Å; M518-Y520 HydrophobicContact CB-CE2 4Å; M518-Y520 PolarHBondContact O-N 3.39Å; Y520-C526 CarbonylContact C-O 3.25Å; Y520-C526 HydrophobicContact CD1-CB 3.9Å; Y520-I562 HydrophobicContact CD1-CG2 4.46Å; Y520-I562 HydrophobicContact CD2-CG2 3.85Å; Y520-I562 HydrophobicContact CE1-CG2 4.5Å; Y520-I562 HydrophobicContact CE2-CG2 3.91Å; Y520-I562 HydrophobicContact CG-CG2 4.15Å; Y520-I574 HydrophobicContact CE1-CD1 3.92Å; Y520-I580 HydrophobicContact CE2-CD1 3.92Å |
| 521 | F | 90.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | trans | -124.9 | 131.9 | 179 | -58.5 | -81.5 | 0 | 0 | 0 | 109.5 | D514 P516 N519 E523 D524 C526 | D514-F521 HydrophobicContact CB-CD1 4.39Å; D514-F521 WeakPolarHBondContact OD1-CA 3.41Å; P516-F521 HydrophobicContact CB-CE1 4.11Å; P516-F521 HydrophobicContact CG-CE1 4.34Å; N519-F521 HydrophobicContact CB-CE2 4.33Å; F521-E523 HydrophobicContact CB-CG 3.86Å; F521-E523 PolarHBondContact O-N 3.12Å; F521-D524 WeakPolarHBondContact O-CA 3.28Å; F521-D524 WeakPolarHBondContact O-CB 3.48Å; F521-D524 PolarHBondContact O-N 3.23Å; F521-C526 CarbonylContact C-O 3.42Å; F521-C526 PolarHBondContact N-O 3.11Å; F521-C526 PolarHBondContact O-N 2.79Å | ||
| 522 | A | 92.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 45 Ų | 45 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -57.1 | -24 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R60 L512 D514 D524 D525 C526 | R60-A522 PolarHBondContact NE-O 3.11Å; R60-A522 VanDerWaalsContact NE-O 3.16Å; R60-A522 PolarHBondContact NH2-O 2.84Å; L512-A522 HydrophobicContact CB-CB 4.42Å; L512-A522 VanDerWaalsContact O-CB 3.26Å; L512-A522 WeakPolarHBondContact O-CB 3.43Å; D514-A522 WeakPolarHBondContact OD1-CB 3.35Å; D514-A522 PolarHBondContact OD1-N 3.36Å; A522-D524 VanDerWaalsContact C-N 3.27Å; A522-D524 PolarHBondContact O-N 3.26Å; A522-D525 PolarHBondContact O-N 3.09Å; A522-C526 PolarHBondContact N-O 3.19Å |
| 523 | E | 92.2 | Very high | 92.1 | Very high | 135 Ų | 135 | 45.5 Ų | 45.5 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -60 | -37 | 173.5 | 79 | -177.8 | 161.8 | 0 | 0 | 113.9 | R60 F521 D525 | R60-E523 VanDerWaalsContact NH1-CA 3.28Å; R60-E523 PolarHBondContact NH1-O 3.48Å; R60-E523 PolarHBondContact NH2-O 3.21Å; F521-E523 HydrophobicContact CB-CG 3.86Å; F521-E523 PolarHBondContact O-N 3.12Å; E523-D525 PolarHBondContact O-N 2.94Å |
| 524 | D | 92.2 | Very high | 92.2 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -87.7 | 16.8 | 175.4 | -59.6 | -43.5 | 0 | 0 | 0 | 112.4 | F521 A522 C526 | F521-D524 WeakPolarHBondContact O-CA 3.28Å; F521-D524 WeakPolarHBondContact O-CB 3.48Å; F521-D524 PolarHBondContact O-N 3.23Å; A522-D524 VanDerWaalsContact C-N 3.27Å; A522-D524 PolarHBondContact O-N 3.26Å; D524-C526 PolarHBondContact O-N 3.1Å |
| 525 | D | 95 | Very high | 92.4 | Very high | 57 Ų | 57 | 41.6 Ų | 41.6 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 28.3 | -177.7 | -74.8 | -39.2 | 0 | 0 | 0 | 113.9 | R60 L512 A522 E523 C564 W565 | R60-D525 IonicContact CZ-OD1 2.74Å; R60-D525 IonicContact NE-OD1 2.89Å; R60-D525 IonicContact NH2-OD1 3.75Å; R60-D525 PolarHBondContact NH2-OD1 3.06Å; R60-D525 IonicContact NH2-OD2 3.84Å; L512-D525 VanDerWaalsContact CD1-C 3.48Å; L512-D525 WeakPolarHBondContact CD1-O 3.17Å; A522-D525 PolarHBondContact O-N 3.09Å; E523-D525 PolarHBondContact O-N 2.94Å; D525-C564 CarbonylContact O-C 3.44Å; D525-C564 WeakPolarHBondContact O-CA 3.29Å; D525-C564 VanDerWaalsContact O-CB 3.24Å; D525-C564 WeakPolarHBondContact O-CB 3.46Å; D525-W565 HydrophobicContact CB-CB 4.08Å; D525-W565 PolarHBondContact O-N 3.47Å |
| 526 | C | 94.2 | Very high | 92.7 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.7 | 179.2 | -68.9 | 0 | 0 | 0 | 0 | 112 | Y520 F521 A522 D524 G563 C564 | Y520-C526 CarbonylContact C-O 3.25Å; Y520-C526 HydrophobicContact CD1-CB 3.9Å; F521-C526 CarbonylContact C-O 3.42Å; F521-C526 PolarHBondContact N-O 3.11Å; F521-C526 PolarHBondContact O-N 2.79Å; A522-C526 PolarHBondContact N-O 3.19Å; D524-C526 PolarHBondContact O-N 3.1Å; C526-G563 WeakPolarHBondContact CA-O 3.46Å; C526-C564 HydrophobicContact CB-CB 4.14Å; C526-C564 WeakPolarHBondContact CB-SG 3.34Å; C526-C564 WeakPolarHBondContact SG-CB 3.44Å; C526-C564 CovalentContact SG-SG 2.03Å; C526-C564 PolarHBondContact SG-SG 2.96Å |
| 527 | G | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | -170.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V513 I529 I562 G563 | V513-G527 CarbonylContact O-C 3.55Å; V513-G527 VanDerWaalsContact O-CA 3.25Å; V513-G527 WeakPolarHBondContact O-CA 3.33Å; G527-I529 PolarHBondContact O-N 3.19Å; G527-I562 WeakPolarHBondContact O-CA 3.41Å; G527-G563 PolarHBondContact N-O 3.16Å; G527-G563 PolarHBondContact O-N 2.84Å |
| 528 | E | 96.7 | Very high | 94.1 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 128.4 | 168 | 177.1 | 171.7 | -142.7 | 0 | 0 | 109.5 | L512 V513 V515 C530 H558 G560 D561 I562 | L512-E528 CarbonylContact C-O 3.58Å; L512-E528 VanDerWaalsContact CA-O 3.31Å; L512-E528 WeakPolarHBondContact CA-O 3.47Å; V513-E528 PolarHBondContact N-O 2.85Å; V513-E528 PolarHBondContact O-N 3.37Å; V515-E528 HydrophobicContact CG2-CB 3.72Å; E528-C530 PolarHBondContact O-N 3.27Å; E528-H558 IonicContact OE1-ND1 3.38Å; E528-H558 IonicContact OE2-CE1 2.67Å; E528-H558 IonicContact OE2-CG 3.27Å; E528-H558 IonicContact OE2-ND1 3.97Å; E528-H558 PolarHBondContact OE2-ND1 3.18Å; E528-G560 VanDerWaalsContact OE1-CA 3.29Å; E528-G560 WeakPolarHBondContact OE1-CA 3.43Å; E528-G560 PolarHBondContact OE1-N 3.13Å; E528-D561 WeakPolarHBondContact CA-O 3.32Å; E528-I562 HydrophobicContact CB-CD1 4.17Å |
| 529 | I | 98 | Very high | 95 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.6 | 175.5 | -58.9 | 162.9 | 0 | 0 | 0 | 107.5 | Y479 I510 L512 G527 L531 T559 D561 L571 L573 | Y479-I529 HydrophobicContact CE1-CD1 4.2Å; Y479-I529 HydrophobicContact CE1-CG2 4.13Å; I510-I529 HydrophobicContact CG2-CG2 3.86Å; L512-I529 HydrophobicContact CD2-CB 4.47Å; L512-I529 HydrophobicContact CD2-CG1 3.88Å; G527-I529 PolarHBondContact O-N 3.19Å; I529-L531 HydrophobicContact CG2-CD2 3.92Å; I529-T559 HydrophobicContact CB-CG2 4.36Å; I529-T559 HydrophobicContact CG2-CG2 4.15Å; I529-T559 WeakPolarHBondContact O-CB 3.42Å; I529-T559 WeakPolarHBondContact O-CG2 3.27Å; I529-T559 PolarHBondContact O-N 2.91Å; I529-T559 VanDerWaalsContact O-N 3.13Å; I529-T559 PolarHBondContact O-OG1 2.91Å; I529-D561 HydrophobicContact CD1-CB 4.16Å; I529-D561 PolarHBondContact N-O 3.32Å; I529-L571 HydrophobicContact CD1-CD1 4.23Å; I529-L571 HydrophobicContact CD1-CD2 3.96Å; I529-L571 HydrophobicContact CD1-CG 4.43Å; I529-L571 HydrophobicContact CG1-CD1 4.2Å; I529-L571 HydrophobicContact CG1-CD2 4.43Å; I529-L571 HydrophobicContact CG2-CD2 4.32Å; I529-L573 HydrophobicContact CD1-CD2 3.48Å; I529-L573 VanDerWaalsContact CD1-CD2 3.48Å |
| 530 | C | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.5 | 172.2 | -65.7 | 0 | 0 | 0 | 0 | 110.4 | I510 K511 V513 E528 W556 L557 H558 | I510-C530 WeakPolarHBondContact CA-O 3.19Å; K511-C530 HydrophobicContact CG-CB 3.82Å; K511-C530 PolarHBondContact N-O 3.29Å; K511-C530 PolarHBondContact O-N 2.75Å; V513-C530 HydrophobicContact CG2-CB 4.34Å; V513-C530 VanDerWaalsContact CG2-SG 3.59Å; E528-C530 PolarHBondContact O-N 3.27Å; C530-W556 HydrophobicContact CB-CB 4.24Å; C530-W556 HydrophobicContact CB-CE3 3.97Å; C530-W556 WeakPolarHBondContact O-CZ3 3.45Å; C530-L557 CarbonylContact C-O 3.56Å; C530-L557 WeakPolarHBondContact CA-O 3.28Å; C530-H558 PolarHBondContact SG-ND1 3.01Å; C530-H558 VanDerWaalsContact SG-ND1 3.45Å |
| 531 | L | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143 | -176.7 | -51.2 | 179.1 | 0 | 0 | 0 | 110.6 | C484 A488 L509 I510 I529 V536 W556 L557 T559 | C484-L531 HydrophobicContact CB-CD1 3.78Å; A488-L531 HydrophobicContact CB-CD1 3.69Å; A488-L531 HydrophobicContact CB-CD2 3.87Å; A488-L531 HydrophobicContact CB-CG 4.46Å; L509-L531 WeakPolarHBondContact O-CA 3.26Å; I510-L531 HydrophobicContact CB-CD2 4.43Å; I510-L531 HydrophobicContact CD1-CD2 4.04Å; I510-L531 HydrophobicContact CG1-CD2 3.7Å; I510-L531 HydrophobicContact CG2-CD2 4.29Å; I529-L531 HydrophobicContact CG2-CD2 3.92Å; L531-V536 HydrophobicContact CB-CG2 4.38Å; L531-W556 VanDerWaalsContact C-CE3 3.48Å; L531-W556 CarbonylContact O-C 3.57Å; L531-W556 WeakPolarHBondContact O-CA 3.09Å; L531-L557 HydrophobicContact CB-CB 4.39Å; L531-L557 HydrophobicContact CD1-CD2 4.49Å; L531-L557 PolarHBondContact N-O 2.91Å; L531-L557 PolarHBondContact O-N 3.08Å; L531-T559 HydrophobicContact CD1-CG2 3.81Å; L531-T559 HydrophobicContact CD2-CG2 4.44Å; L531-T559 HydrophobicContact CG-CG2 3.68Å |
| 532 | K | 98.1 | Very high | 95.4 | Very high | 71 Ų | 71 | 33.5 Ų | 33.5 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 129.3 | 171.3 | -179.6 | 171.9 | 177.2 | 175.7 | 0 | 109.6 | L509 D554 W556 | L509-K532 HydrophobicContact CB-CB 4.49Å; L509-K532 WeakPolarHBondContact CB-O 3.3Å; L509-K532 PolarHBondContact N-O 2.85Å; L509-K532 PolarHBondContact O-N 3.5Å; K532-D554 WeakPolarHBondContact CE-O 3.16Å; K532-D554 PolarHBondContact NZ-O 3.12Å; K532-W556 HydrophobicContact CB-CD2 3.63Å; K532-W556 HydrophobicContact CB-CE3 3.39Å; K532-W556 HydrophobicContact CB-CG 4.3Å; K532-W556 HydrophobicContact CB-CH2 3.99Å; K532-W556 HydrophobicContact CB-CZ2 4.21Å; K532-W556 HydrophobicContact CB-CZ3 3.58Å; K532-W556 HydrophobicContact CD-CD2 3.99Å; K532-W556 HydrophobicContact CD-CG 4.27Å; K532-W556 HydrophobicContact CD-CZ2 4.11Å; K532-W556 HydrophobicContact CG-CD2 4.46Å |
| 533 | G | 97.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 169 | 169.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A507 N535 V536 | A507-G533 WeakPolarHBondContact O-CA 3.17Å; G533-N535 PolarHBondContact O-N 2.87Å; G533-V536 WeakPolarHBondContact O-CB 3.29Å; G533-V536 PolarHBondContact O-N 2.89Å; G533-V536 VanDerWaalsContact O-N 3.09Å |
| 534 | P | 97.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 33.8 Ų | 33.8 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.9 | 178.2 | 27.4 | -41.1 | 0 | 0 | 0 | 114.5 | L74 N314 A317 A507 | L74-P534 HydrophobicContact CD2-CB 3.8Å; L74-P534 HydrophobicContact CD2-CG 3.77Å; N314-P534 VanDerWaalsContact CA-O 3.28Å; N314-P534 WeakPolarHBondContact CA-O 3.12Å; N314-P534 PolarHBondContact ND2-O 3.29Å; A317-P534 HydrophobicContact CB-CB 3.71Å; A317-P534 HydrophobicContact CB-CG 3.69Å; A507-P534 HydrophobicContact CB-CG 4.16Å; A507-P534 WeakPolarHBondContact O-CD 3.41Å |
| 535 | N | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -9.6 | 176.2 | 69.5 | -45.4 | 0 | 0 | 0 | 113.7 | N314 D318 C484 A507 N508 G533 F537 | N314-N535 WeakPolarHBondContact O-CA 3.26Å; D318-N535 HydrophobicContact CB-CB 3.83Å; C484-N535 CarbonylContact C-O 3.55Å; C484-N535 VanDerWaalsContact C-O 3.32Å; C484-N535 WeakPolarHBondContact CA-O 3.39Å; C484-N535 PolarHBondContact O-ND2 3.28Å; A507-N535 HydrophobicContact CB-CB 4.25Å; A507-N535 PolarHBondContact O-OD1 3.19Å; N508-N535 VanDerWaalsContact CG-OD1 3.24Å; N508-N535 VanDerWaalsContact ND2-CG 3.33Å; N508-N535 PolarHBondContact ND2-ND2 2.98Å; N508-N535 PolarHBondContact ND2-OD1 3.4Å; N508-N535 VanDerWaalsContact OD1-CG 3.29Å; N508-N535 PolarHBondContact OD1-ND2 3.49Å; N508-N535 PolarHBondContact OD1-OD1 3.31Å; G533-N535 PolarHBondContact O-N 2.87Å; N535-F537 PolarHBondContact O-N 3.02Å |
| 536 | V | 98.4 | Very high | 95 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -68.3 | 131 | 176.2 | 176.1 | 0 | 0 | 0 | 0 | 109.4 | N314 L531 G533 L557 | N314-V536 PolarHBondContact ND2-O 3.41Å; L531-V536 HydrophobicContact CB-CG2 4.38Å; G533-V536 WeakPolarHBondContact O-CB 3.29Å; G533-V536 PolarHBondContact O-N 2.89Å; G533-V536 VanDerWaalsContact O-N 3.09Å; V536-L557 HydrophobicContact CG1-CB 3.92Å; V536-L557 HydrophobicContact CG1-CD2 4.12Å |
| 537 | F | 98.1 | Very high | 95 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | trans | -55.2 | 159 | -179.6 | 78.4 | -36.4 | 0 | 0 | 0 | 113.7 | V308 M309 L310 E483 N535 G539 Y540 V550 I551 L557 | V308-F537 HydrophobicContact CB-CD2 4.27Å; V308-F537 HydrophobicContact CG1-CB 3.68Å; V308-F537 HydrophobicContact CG1-CD2 3.45Å; V308-F537 VanDerWaalsContact CG1-CD2 3.45Å; V308-F537 HydrophobicContact CG1-CE2 4.38Å; V308-F537 HydrophobicContact CG1-CG 3.91Å; M309-F537 WeakPolarHBondContact O-CB 3.36Å; L310-F537 HydrophobicContact CD2-CB 3.57Å; E483-F537 HydrophobicContact CB-CD1 3.96Å; E483-F537 HydrophobicContact CB-CD2 4.28Å; E483-F537 HydrophobicContact CB-CE1 4.05Å; E483-F537 HydrophobicContact CB-CE2 4.32Å; E483-F537 HydrophobicContact CB-CG 4.09Å; E483-F537 HydrophobicContact CB-CZ 4.22Å; E483-F537 HydrophobicContact CG-CD1 4.44Å; E483-F537 HydrophobicContact CG-CD2 4.04Å; E483-F537 HydrophobicContact CG-CE1 4.23Å; E483-F537 HydrophobicContact CG-CE2 3.75Å; E483-F537 HydrophobicContact CG-CG 4.36Å; E483-F537 HydrophobicContact CG-CZ 3.86Å; E483-F537 VanDerWaalsContact O-CB 3.31Å; E483-F537 WeakPolarHBondContact O-CB 3.46Å; E483-F537 VanDerWaalsContact O-CD1 3.26Å; E483-F537 WeakPolarHBondContact O-CD1 3.33Å; E483-F537 WeakPolarHBondContact O-CG 3.45Å; E483-F537 PolarHBondContact O-N 3.37Å; N535-F537 PolarHBondContact O-N 3.02Å; F537-G539 WeakPolarHBondContact CD2-O 3.5Å; F537-G539 VanDerWaalsContact CE2-CA 3.42Å; F537-G539 WeakPolarHBondContact CE2-O 3.34Å; F537-G539 PolarHBondContact O-N 3.29Å; F537-Y540 AromaticContact CE2-CD1 3.72Å; F537-Y540 HydrophobicContact CE2-CD1 3.72Å; F537-Y540 HydrophobicContact CE2-CD2 4.22Å; F537-Y540 AromaticContact CE2-CE1 3.71Å; F537-Y540 HydrophobicContact CE2-CE1 3.71Å; F537-Y540 HydrophobicContact CE2-CE2 4.23Å; F537-Y540 AromaticContact CE2-CG 3.99Å; F537-Y540 HydrophobicContact CE2-CG 3.99Å; F537-Y540 AromaticContact CE2-CZ 3.97Å; F537-Y540 HydrophobicContact CZ-CD2 4.42Å; F537-Y540 HydrophobicContact CZ-CE1 4.33Å; F537-Y540 HydrophobicContact CZ-CE2 4.19Å; F537-V550 HydrophobicContact CE1-CG2 4.42Å; F537-V550 HydrophobicContact CZ-CG2 3.87Å; F537-I551 HydrophobicContact CD1-CD1 4.21Å; F537-I551 HydrophobicContact CE1-CD1 3.61Å; F537-I551 HydrophobicContact CE1-CG1 3.88Å; F537-I551 HydrophobicContact CZ-CD1 4.26Å; F537-I551 HydrophobicContact CZ-CG1 4.44Å; F537-L557 HydrophobicContact CE1-CD1 3.88Å; F537-L557 HydrophobicContact CE1-CD2 4.4Å; F537-L557 HydrophobicContact CZ-CD1 4.45Å | ||
| 538 | K | 95.6 | Very high | 95 | Very high | 134 Ų | 134 | 40 Ų | 40 | 58% | 0.583 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -71.4 | -21.1 | 176.5 | -170 | 172.3 | -176.8 | 171.3 | 0 | 113.1 | L292 M309 | L292-K538 HydrophobicContact CD2-CD 4.31Å; M309-K538 HydrophobicContact CB-CB 4.19Å; M309-K538 PolarHBondContact O-N 2.63Å |
| 539 | G | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.4 | -176.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | M309 F537 | M309-G539 WeakPolarHBondContact CB-O 3.37Å; M309-G539 PolarHBondContact N-O 2.88Å; F537-G539 WeakPolarHBondContact CD2-O 3.5Å; F537-G539 VanDerWaalsContact CE2-CA 3.42Å; F537-G539 WeakPolarHBondContact CE2-O 3.34Å; F537-G539 PolarHBondContact O-N 3.29Å |
| 540 | Y | 93 | Very high | 94.7 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.7 | 175.8 | -63.7 | -60.9 | 0 | 0 | 0 | 111.4 | K306 G307 V308 E483 F537 K542 E543 K546 T547 V550 | K306-Y540 HydrophobicContact CB-CD1 3.68Å; K306-Y540 HydrophobicContact CB-CE1 3.93Å; K306-Y540 HydrophobicContact CB-CG 4.26Å; K306-Y540 HydrophobicContact CD-CD1 4.32Å; K306-Y540 HydrophobicContact CD-CD2 4.38Å; K306-Y540 HydrophobicContact CD-CE1 4.15Å; K306-Y540 HydrophobicContact CD-CE2 4.19Å; K306-Y540 HydrophobicContact CD-CG 4.43Å; K306-Y540 PolarHBondContact NZ-OH 2.75Å; G307-Y540 CarbonylContact O-C 3.56Å; G307-Y540 VanDerWaalsContact O-CA 3.26Å; G307-Y540 WeakPolarHBondContact O-CA 3.33Å; V308-Y540 HydrophobicContact CG2-CD1 4.19Å; V308-Y540 HydrophobicContact CG2-CE1 3.92Å; E483-Y540 HydrophobicContact CG-CE1 3.96Å; E483-Y540 WeakPolarHBondContact OE1-CE1 2.74Å; E483-Y540 PolarHBondContact OE1-OH 3.24Å; F537-Y540 AromaticContact CE2-CD1 3.72Å; F537-Y540 HydrophobicContact CE2-CD1 3.72Å; F537-Y540 HydrophobicContact CE2-CD2 4.22Å; F537-Y540 AromaticContact CE2-CE1 3.71Å; F537-Y540 HydrophobicContact CE2-CE1 3.71Å; F537-Y540 HydrophobicContact CE2-CE2 4.23Å; F537-Y540 AromaticContact CE2-CG 3.99Å; F537-Y540 HydrophobicContact CE2-CG 3.99Å; F537-Y540 AromaticContact CE2-CZ 3.97Å; F537-Y540 HydrophobicContact CZ-CD2 4.42Å; F537-Y540 HydrophobicContact CZ-CE1 4.33Å; F537-Y540 HydrophobicContact CZ-CE2 4.19Å; Y540-K542 PolarHBondContact O-N 3.2Å; Y540-E543 PolarHBondContact O-N 3.03Å; Y540-E543 VanDerWaalsContact O-N 3.15Å; Y540-K546 HydrophobicContact CD2-CB 3.84Å; Y540-K546 HydrophobicContact CE2-CB 4.44Å; Y540-T547 PolarHBondContact N-OG1 2.69Å; Y540-V550 HydrophobicContact CD2-CG2 4.46Å; Y540-V550 HydrophobicContact CE2-CG1 4.32Å; Y540-V550 HydrophobicContact CE2-CG2 3.7Å |
| 541 | Y | 90.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 11% | 0.106 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 119.8 | -178.9 | -169.8 | -105.2 | 0 | 0 | 0 | 110.5 | F144 A215 V295 G307 M309 E543 | F144-Y541 AromaticContact CE1-CE2 3.92Å; F144-Y541 HydrophobicContact CE1-CE2 3.92Å; F144-Y541 AromaticContact CZ-CE2 3.7Å; F144-Y541 HydrophobicContact CZ-CE2 3.7Å; F144-Y541 AromaticContact CZ-CZ 3.95Å; A215-Y541 HydrophobicContact CB-CE1 4.39Å; A215-Y541 WeakPolarHBondContact CB-OH 3.34Å; V295-Y541 HydrophobicContact CG1-CD2 4.47Å; V295-Y541 HydrophobicContact CG1-CG 4.11Å; V295-Y541 HydrophobicContact CG2-CD2 4.21Å; G307-Y541 WeakPolarHBondContact O-CB 3.4Å; G307-Y541 PolarHBondContact O-N 3.15Å; M309-Y541 HydrophobicContact CG-CD2 3.87Å; M309-Y541 HydrophobicContact CG-CG 4.45Å; M309-Y541 HydrophobicContact SD-CD2 3.69Å; M309-Y541 HydrophobicContact SD-CE2 4.48Å; Y541-E543 WeakPolarHBondContact O-CG 3.36Å; Y541-E543 PolarHBondContact O-N 3.3Å |
| 542 | K | 87.5 | Confident | 94.5 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 15% | 0.148 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 22.5 | 179.9 | -75.7 | -176.2 | -174.4 | 173.3 | 0 | 114.5 | Q197 L199 F213 Y540 | Q197-K542 PolarHBondContact O-NZ 3.49Å; L199-K542 HydrophobicContact CD1-CB 3.43Å; L199-K542 VanDerWaalsContact CD1-CB 3.43Å; L199-K542 HydrophobicContact CD1-CD 3.84Å; L199-K542 HydrophobicContact CD1-CG 3.62Å; L199-K542 HydrophobicContact CG-CB 3.8Å; L199-K542 HydrophobicContact CG-CD 3.95Å; L199-K542 HydrophobicContact CG-CG 4.18Å; F213-K542 PolarHBondContact O-NZ 3.38Å; Y540-K542 PolarHBondContact O-N 3.2Å |
| 543 | E | 89.5 | Confident | 94.4 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | trans | -136.9 | 65.2 | -173.4 | -68 | -85.3 | -159.2 | 0 | 0 | 110.8 | Y540 Y541 E545 K546 T547 | Y540-E543 PolarHBondContact O-N 3.03Å; Y540-E543 VanDerWaalsContact O-N 3.15Å; Y541-E543 WeakPolarHBondContact O-CG 3.36Å; Y541-E543 PolarHBondContact O-N 3.3Å; E543-E545 VanDerWaalsContact C-N 3.34Å; E543-E545 PolarHBondContact O-N 2.94Å; E543-K546 HydrophobicContact CB-CB 4.07Å; E543-K546 HydrophobicContact CB-CG 4.37Å; E543-K546 PolarHBondContact O-N 3.05Å; E543-T547 PolarHBondContact O-N 2.54Å; E543-T547 PolarHBondContact O-OG1 2.79Å | ||
| 544 | P | 91.8 | Very high | 94.2 | Very high | 99 Ų | 99 | 56 Ų | 56 | 64% | 0.643 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.4 | -34.4 | -175.5 | 26.3 | -34.6 | 0 | 0 | 0 | 113 | T547 A548 | P544-T547 WeakPolarHBondContact O-CB 3.38Å; P544-T547 PolarHBondContact O-N 3.41Å; P544-A548 PolarHBondContact O-N 2.7Å |
| 545 | E | 92.4 | Very high | 94.1 | Very high | 155 Ų | 155 | 55.7 Ų | 55.7 | 72% | 0.724 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.1 | -48.1 | 176.4 | -64.6 | -179.6 | -177.6 | 0 | 0 | 110.8 | E543 T547 A548 E549 | E543-E545 VanDerWaalsContact C-N 3.34Å; E543-E545 PolarHBondContact O-N 2.94Å; E545-T547 PolarHBondContact O-N 3.46Å; E545-A548 PolarHBondContact O-N 2.82Å; E545-E549 WeakPolarHBondContact O-CG 3.07Å; E545-E549 PolarHBondContact O-N 2.76Å |
| 546 | K | 90 | Very high | 94 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 27% | 0.274 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.7 | -27.8 | 174.7 | -66.5 | -72.9 | 166.8 | -143.1 | 0 | 113 | Y540 E543 E549 | Y540-K546 HydrophobicContact CD2-CB 3.84Å; Y540-K546 HydrophobicContact CE2-CB 4.44Å; E543-K546 HydrophobicContact CB-CB 4.07Å; E543-K546 HydrophobicContact CB-CG 4.37Å; E543-K546 PolarHBondContact O-N 3.05Å; K546-E549 WeakPolarHBondContact CD-OE2 3.49Å; K546-E549 IonicContact NZ-OE1 2.72Å; K546-E549 PolarHBondContact NZ-OE1 3.46Å; K546-E549 IonicContact NZ-OE2 3.92Å; K546-E549 PolarHBondContact NZ-OE2 3.21Å |
| 547 | T | 94.2 | Very high | 94 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70 | -46.8 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | Y540 E543 P544 E545 E549 V550 I551 | Y540-T547 PolarHBondContact N-OG1 2.69Å; E543-T547 PolarHBondContact O-N 2.54Å; E543-T547 PolarHBondContact O-OG1 2.79Å; P544-T547 WeakPolarHBondContact O-CB 3.38Å; P544-T547 PolarHBondContact O-N 3.41Å; E545-T547 PolarHBondContact O-N 3.46Å; T547-E549 PolarHBondContact O-N 2.85Å; T547-V550 WeakPolarHBondContact O-CG2 3.18Å; T547-V550 PolarHBondContact O-N 3.43Å; T547-V550 VanDerWaalsContact O-N 3.12Å; T547-I551 HydrophobicContact CG2-CD1 4Å; T547-I551 HydrophobicContact CG2-CG1 4.48Å; T547-I551 PolarHBondContact O-N 3.19Å |
| 548 | A | 95 | Very high | 94 | Very high | 74 Ų | 74 | 56.9 Ų | 56.9 | 61% | 0.612 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.7 | -22.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P544 E545 V550 | P544-A548 PolarHBondContact O-N 2.7Å; E545-A548 PolarHBondContact O-N 2.82Å; A548-V550 VanDerWaalsContact C-N 3.3Å |
| 549 | E | 93.6 | Very high | 94 | Very high | 117 Ų | 117 | 51.2 Ų | 51.2 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.2 | 171.7 | -76.3 | 175.2 | -155.5 | 0 | 0 | 113.4 | E545 K546 T547 | E545-E549 WeakPolarHBondContact O-CG 3.07Å; E545-E549 PolarHBondContact O-N 2.76Å; K546-E549 WeakPolarHBondContact CD-OE2 3.49Å; K546-E549 IonicContact NZ-OE1 2.72Å; K546-E549 PolarHBondContact NZ-OE1 3.46Å; K546-E549 IonicContact NZ-OE2 3.92Å; K546-E549 PolarHBondContact NZ-OE2 3.21Å; T547-E549 PolarHBondContact O-N 2.85Å |
| 550 | V | 95.2 | Very high | 93.8 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -20.8 | -173 | -56.4 | 0 | 0 | 0 | 0 | 114.2 | F537 Y540 T547 A548 L557 H558 | F537-V550 HydrophobicContact CE1-CG2 4.42Å; F537-V550 HydrophobicContact CZ-CG2 3.87Å; Y540-V550 HydrophobicContact CD2-CG2 4.46Å; Y540-V550 HydrophobicContact CE2-CG1 4.32Å; Y540-V550 HydrophobicContact CE2-CG2 3.7Å; T547-V550 WeakPolarHBondContact O-CG2 3.18Å; T547-V550 PolarHBondContact O-N 3.43Å; T547-V550 VanDerWaalsContact O-N 3.12Å; A548-V550 VanDerWaalsContact C-N 3.3Å; V550-L557 HydrophobicContact CB-CD1 4.07Å; V550-L557 HydrophobicContact CG2-CD1 4.02Å; V550-L557 CarbonylContact O-C 3.55Å; V550-L557 WeakPolarHBondContact O-CA 3.49Å; V550-H558 PolarHBondContact O-N 3.06Å |
| 551 | I | 97.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.205 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -105.8 | 115.8 | 172 | -55 | -178.1 | 0 | 0 | 0 | 108.2 | F537 T547 W556 | F537-I551 HydrophobicContact CD1-CD1 4.21Å; F537-I551 HydrophobicContact CE1-CD1 3.61Å; F537-I551 HydrophobicContact CE1-CG1 3.88Å; F537-I551 HydrophobicContact CZ-CD1 4.26Å; F537-I551 HydrophobicContact CZ-CG1 4.44Å; T547-I551 HydrophobicContact CG2-CD1 4Å; T547-I551 HydrophobicContact CG2-CG1 4.48Å; T547-I551 PolarHBondContact O-N 3.19Å; I551-W556 WeakPolarHBondContact CA-O 3.42Å |
| 552 | D | 95.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 23% | 0.225 | 30% | 0.297 | C | S | . | . | trans | -74.8 | 173.8 | 178.2 | 76.1 | 12.7 | 0 | 0 | 0 | 112.7 | K511 D554 G555 W556 H558 | K511-D552 IonicContact NZ-OD2 3.45Å; D552-D554 PolarHBondContact O-N 2.93Å; D552-D554 VanDerWaalsContact OD1-C 3.3Å; D552-D554 WeakPolarHBondContact OD1-CA 3.4Å; D552-D554 WeakPolarHBondContact OD1-CB 3.45Å; D552-D554 PolarHBondContact OD1-N 3.21Å; D552-G555 PolarHBondContact O-N 2.78Å; D552-G555 PolarHBondContact OD1-N 3Å; D552-W556 PolarHBondContact N-O 3.09Å; D552-W556 PolarHBondContact OD1-N 2.82Å; D552-W556 WeakPolarHBondContact OD2-CB 3.31Å; D552-H558 IonicContact OD2-NE2 2.96Å | ||
| 553 | S | 94.5 | Very high | 94.1 | Very high | 122 Ų | 122 | 49.7 Ų | 49.7 | 85% | 0.853 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.1 | 179.7 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | G555 | S553-G555 VanDerWaalsContact C-N 3.34Š|
| 554 | D | 94.2 | Very high | 94.4 | Very high | 97 Ų | 97 | 48 Ų | 48 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.2 | 177.5 | -66.2 | -39.6 | 0 | 0 | 0 | 111.7 | K532 D552 | K532-D554 WeakPolarHBondContact CE-O 3.16Å; K532-D554 PolarHBondContact NZ-O 3.12Å; D552-D554 PolarHBondContact O-N 2.93Å; D552-D554 VanDerWaalsContact OD1-C 3.3Å; D552-D554 WeakPolarHBondContact OD1-CA 3.4Å; D552-D554 WeakPolarHBondContact OD1-CB 3.45Å; D552-D554 PolarHBondContact OD1-N 3.21Å |
| 555 | G | 95.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 44 Ų | 44 | 32% | 0.32 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 83.2 | 17.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D552 S553 | D552-G555 PolarHBondContact O-N 2.78Å; D552-G555 PolarHBondContact OD1-N 3Å; S553-G555 VanDerWaalsContact C-N 3.34Å |
| 556 | W | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -85.5 | 129.9 | 174.3 | -67.2 | 91.6 | 0 | 0 | 0 | 111.2 | E59 L509 K511 C530 L531 K532 I551 D552 | E59-W556 PolarHBondContact OE1-NE1 2.76Å; L509-W556 HydrophobicContact CB-CH2 3.69Å; L509-W556 HydrophobicContact CB-CZ3 4.03Å; L509-W556 HydrophobicContact CD1-CH2 4.44Å; K511-W556 HydrophobicContact CB-CH2 3.95Å; K511-W556 HydrophobicContact CB-CZ2 4.43Å; K511-W556 HydrophobicContact CB-CZ3 4.03Å; K511-W556 HydrophobicContact CD-CD2 3.73Å; K511-W556 HydrophobicContact CD-CE3 4Å; K511-W556 HydrophobicContact CD-CG 4.3Å; K511-W556 HydrophobicContact CD-CH2 4.04Å; K511-W556 HydrophobicContact CD-CZ2 3.75Å; K511-W556 HydrophobicContact CD-CZ3 4.16Å; K511-W556 VanDerWaalsContact CE-CG 3.45Å; K511-W556 HydrophobicContact CG-CD2 4.05Å; K511-W556 HydrophobicContact CG-CE3 3.77Å; K511-W556 HydrophobicContact CG-CH2 3.91Å; K511-W556 HydrophobicContact CG-CZ2 4.17Å; K511-W556 HydrophobicContact CG-CZ3 3.71Å; K511-W556 VanDerWaalsContact NZ-NE1 3.15Å; C530-W556 HydrophobicContact CB-CB 4.24Å; C530-W556 HydrophobicContact CB-CE3 3.97Å; C530-W556 WeakPolarHBondContact O-CZ3 3.45Å; L531-W556 VanDerWaalsContact C-CE3 3.48Å; L531-W556 CarbonylContact O-C 3.57Å; L531-W556 WeakPolarHBondContact O-CA 3.09Å; K532-W556 HydrophobicContact CB-CD2 3.63Å; K532-W556 HydrophobicContact CB-CE3 3.39Å; K532-W556 HydrophobicContact CB-CG 4.3Å; K532-W556 HydrophobicContact CB-CH2 3.99Å; K532-W556 HydrophobicContact CB-CZ2 4.21Å; K532-W556 HydrophobicContact CB-CZ3 3.58Å; K532-W556 HydrophobicContact CD-CD2 3.99Å; K532-W556 HydrophobicContact CD-CG 4.27Å; K532-W556 HydrophobicContact CD-CZ2 4.11Å; K532-W556 HydrophobicContact CG-CD2 4.46Å; I551-W556 WeakPolarHBondContact CA-O 3.42Å; D552-W556 PolarHBondContact N-O 3.09Å; D552-W556 PolarHBondContact OD1-N 2.82Å; D552-W556 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 557 | L | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 113 | 169 | 169.9 | 59.1 | 0 | 0 | 0 | 110 | E483 C484 C530 L531 V536 F537 V550 T559 | E483-L557 HydrophobicContact CB-CD1 4.41Å; E483-L557 HydrophobicContact CB-CD2 3.65Å; C484-L557 HydrophobicContact CB-CD2 4.44Å; C530-L557 CarbonylContact C-O 3.56Å; C530-L557 WeakPolarHBondContact CA-O 3.28Å; L531-L557 HydrophobicContact CB-CB 4.39Å; L531-L557 HydrophobicContact CD1-CD2 4.49Å; L531-L557 PolarHBondContact N-O 2.91Å; L531-L557 PolarHBondContact O-N 3.08Å; V536-L557 HydrophobicContact CG1-CB 3.92Å; V536-L557 HydrophobicContact CG1-CD2 4.12Å; F537-L557 HydrophobicContact CE1-CD1 3.88Å; F537-L557 HydrophobicContact CE1-CD2 4.4Å; F537-L557 HydrophobicContact CZ-CD1 4.45Å; V550-L557 HydrophobicContact CB-CD1 4.07Å; V550-L557 HydrophobicContact CG2-CD1 4.02Å; V550-L557 CarbonylContact O-C 3.55Å; V550-L557 WeakPolarHBondContact O-CA 3.49Å; L557-T559 PolarHBondContact O-N 3.27Å |
| 558 | H | 97.5 | Very high | 94.8 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 21% | 0.213 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 110.2 | 168.3 | -72.1 | -101.2 | 0 | 0 | 0 | 110.1 | E528 C530 V550 D552 G560 | E528-H558 IonicContact OE1-ND1 3.38Å; E528-H558 IonicContact OE2-CE1 2.67Å; E528-H558 IonicContact OE2-CG 3.27Å; E528-H558 IonicContact OE2-ND1 3.97Å; E528-H558 PolarHBondContact OE2-ND1 3.18Å; C530-H558 PolarHBondContact SG-ND1 3.01Å; C530-H558 VanDerWaalsContact SG-ND1 3.45Å; V550-H558 PolarHBondContact O-N 3.06Å; D552-H558 IonicContact OD2-NE2 2.96Å; H558-G560 VanDerWaalsContact C-N 3.33Å; H558-G560 PolarHBondContact O-N 2.75Å |
| 559 | T | 95 | Very high | 94.8 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -22.8 | -175.2 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | I529 L531 L557 D561 | I529-T559 HydrophobicContact CB-CG2 4.36Å; I529-T559 HydrophobicContact CG2-CG2 4.15Å; I529-T559 WeakPolarHBondContact O-CB 3.42Å; I529-T559 WeakPolarHBondContact O-CG2 3.27Å; I529-T559 PolarHBondContact O-N 2.91Å; I529-T559 VanDerWaalsContact O-N 3.13Å; I529-T559 PolarHBondContact O-OG1 2.91Å; L531-T559 HydrophobicContact CD1-CG2 3.81Å; L531-T559 HydrophobicContact CD2-CG2 4.44Å; L531-T559 HydrophobicContact CG-CG2 3.68Å; L557-T559 PolarHBondContact O-N 3.27Å; T559-D561 PolarHBondContact O-N 2.84Å; T559-D561 PolarHBondContact OG1-N 2.82Å; T559-D561 PolarHBondContact OG1-O 3.27Å |
| 560 | G | 91.7 | Very high | 95 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.1 | 2.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E528 H558 K577 | E528-G560 VanDerWaalsContact OE1-CA 3.29Å; E528-G560 WeakPolarHBondContact OE1-CA 3.43Å; E528-G560 PolarHBondContact OE1-N 3.13Å; H558-G560 VanDerWaalsContact C-N 3.33Å; H558-G560 PolarHBondContact O-N 2.75Å; G560-K577 WeakPolarHBondContact O-CB 3.45Å; G560-K577 PolarHBondContact O-N 3.07Å |
| 561 | D | 91.6 | Very high | 95 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 145.5 | 171.1 | -59.8 | -48.2 | 0 | 0 | 0 | 109.5 | Y479 E528 I529 T559 R576 | Y479-D561 HydrophobicContact CE2-CB 4.5Å; Y479-D561 WeakPolarHBondContact CE2-OD2 3.48Å; Y479-D561 PolarHBondContact OH-OD2 2.68Å; E528-D561 WeakPolarHBondContact CA-O 3.32Å; I529-D561 HydrophobicContact CD1-CB 4.16Å; I529-D561 PolarHBondContact N-O 3.32Å; T559-D561 PolarHBondContact O-N 2.84Å; T559-D561 PolarHBondContact OG1-N 2.82Å; T559-D561 PolarHBondContact OG1-O 3.27Å; D561-R576 WeakPolarHBondContact OD1-CG 3.33Å; D561-R576 IonicContact OD1-CZ 3.15Å; D561-R576 IonicContact OD1-NE 2.73Å; D561-R576 PolarHBondContact OD1-NE 3.35Å; D561-R576 IonicContact OD1-NH2 2.77Å |
| 562 | I | 92.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.4 | 178.4 | -55.8 | -56.4 | 0 | 0 | 0 | 108.8 | V515 Y520 G527 E528 I574 D575 K577 I580 | V515-I562 HydrophobicContact CG2-CD1 3.79Å; Y520-I562 HydrophobicContact CD1-CG2 4.46Å; Y520-I562 HydrophobicContact CD2-CG2 3.85Å; Y520-I562 HydrophobicContact CE1-CG2 4.5Å; Y520-I562 HydrophobicContact CE2-CG2 3.91Å; Y520-I562 HydrophobicContact CG-CG2 4.15Å; G527-I562 WeakPolarHBondContact O-CA 3.41Å; E528-I562 HydrophobicContact CB-CD1 4.17Å; I562-I574 HydrophobicContact CB-CB 4.45Å; I562-I574 HydrophobicContact CG2-CB 4.2Å; I562-I574 HydrophobicContact CG2-CD1 4.12Å; I562-I574 PolarHBondContact O-N 3.46Å; I562-D575 PolarHBondContact N-O 3Å; I562-K577 HydrophobicContact CD1-CB 3.93Å; I562-K577 HydrophobicContact CD1-CG 4.48Å; I562-K577 HydrophobicContact CG1-CB 4.32Å; I562-I580 HydrophobicContact CB-CD1 4.48Å; I562-I580 HydrophobicContact CG1-CD1 3.89Å |
| 563 | G | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 170.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C526 G527 R572 | C526-G563 WeakPolarHBondContact CA-O 3.46Å; G527-G563 PolarHBondContact N-O 3.16Å; G527-G563 PolarHBondContact O-N 2.84Å; G563-R572 CarbonylContact C-O 3.58Å; G563-R572 WeakPolarHBondContact CA-O 3.48Å |
| 564 | C | 95.4 | Very high | 94 | Very high | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.122 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151 | 170.4 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | D525 C526 R572 I574 | D525-C564 CarbonylContact O-C 3.44Å; D525-C564 WeakPolarHBondContact O-CA 3.29Å; D525-C564 VanDerWaalsContact O-CB 3.24Å; D525-C564 WeakPolarHBondContact O-CB 3.46Å; C526-C564 HydrophobicContact CB-CB 4.14Å; C526-C564 WeakPolarHBondContact CB-SG 3.34Å; C526-C564 WeakPolarHBondContact SG-CB 3.44Å; C526-C564 CovalentContact SG-SG 2.03Å; C526-C564 PolarHBondContact SG-SG 2.96Å; C564-R572 PolarHBondContact N-O 3.38Å; C564-R572 PolarHBondContact O-N 2.91Å; C564-I574 WeakPolarHBondContact SG-CD1 3.49Å |
| 565 | W | 96.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 29.9 Ų | 29.9 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139 | 163.1 | -61.9 | 118.5 | 0 | 0 | 0 | 109.8 | R62 P504 I510 L512 D525 L571 | R62-W565 HydrophobicContact CB-CH2 3.92Å; R62-W565 HydrophobicContact CB-CZ2 3.9Å; R62-W565 VanDerWaalsContact CD-CD2 3.46Å; R62-W565 VanDerWaalsContact CD-CE2 3.48Å; R62-W565 HydrophobicContact CG-CH2 4.32Å; R62-W565 HydrophobicContact CG-CZ2 4Å; P504-W565 HydrophobicContact CG-CH2 4.22Å; I510-W565 HydrophobicContact CB-CH2 3.8Å; I510-W565 HydrophobicContact CB-CZ2 3.92Å; I510-W565 HydrophobicContact CG2-CH2 3.76Å; I510-W565 HydrophobicContact CG2-CZ2 3.68Å; L512-W565 VanDerWaalsContact CD1-CD1 3.43Å; L512-W565 HydrophobicContact CD1-CG 4.06Å; D525-W565 HydrophobicContact CB-CB 4.08Å; D525-W565 PolarHBondContact O-N 3.47Å; W565-L571 HydrophobicContact CE3-CB 4.3Å; W565-L571 HydrophobicContact CE3-CD1 4.45Å; W565-L571 HydrophobicContact CH2-CB 4.46Å; W565-L571 HydrophobicContact CZ3-CB 3.84Å; W565-L571 HydrophobicContact CZ3-CD1 4.35Å |
| 566 | T | 94.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 14% | 0.135 | 16% | 0.156 | C | C | . | . | trans | -87.3 | 163.1 | 164.9 | 74.8 | 0 | 0 | 0 | 0 | 109.8 | R568 G569 T570 R572 | T566-R568 PolarHBondContact O-N 3.13Å; T566-R568 PolarHBondContact OG1-N 3.41Å; T566-G569 PolarHBondContact O-N 3.12Å; T566-T570 WeakPolarHBondContact CG2-OG1 3.5Å; T566-T570 PolarHBondContact N-O 3.46Å; T566-T570 PolarHBondContact OG1-N 3.01Å; T566-T570 PolarHBondContact OG1-O 3.09Å; T566-T570 PolarHBondContact OG1-OG1 3.3Å; T566-R572 HydrophobicContact CG2-CB 4.21Å | ||
| 567 | D | 92.6 | Very high | 91.3 | Very high | 169 Ų | 169 | 34 Ų | 34 | 90% | 0.904 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -21.7 | 171.4 | -56.5 | -27 | 0 | 0 | 0 | 112.5 | G569 | D567-G569 VanDerWaalsContact C-N 3.25Å; D567-G569 PolarHBondContact O-N 3.36Å |
| 568 | R | 93.8 | Very high | 90.2 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 18% | 0.177 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 1.5 | 178 | -59.2 | 174.7 | 61.7 | 126.2 | -22.2 | 113.8 | L48 D49 Q51 D495 T566 T570 | L48-R568 VanDerWaalsContact O-CZ 3.26Å; L48-R568 PolarHBondContact O-NE 3.15Å; L48-R568 PolarHBondContact O-NH2 3.39Å; D49-R568 HydrophobicContact CB-CG 4.49Å; D49-R568 VanDerWaalsContact O-CA 3.26Å; D49-R568 WeakPolarHBondContact O-CA 3.15Å; D49-R568 IonicContact OD1-CZ 2.76Å; D49-R568 VanDerWaalsContact OD1-CZ 3.24Å; D49-R568 IonicContact OD1-NE 3.43Å; D49-R568 PolarHBondContact OD1-NE 3.49Å; D49-R568 IonicContact OD1-NH1 2.86Å; D49-R568 PolarHBondContact OD1-NH1 3.17Å; Q51-R568 WeakPolarHBondContact CB-O 3.48Å; Q51-R568 PolarHBondContact N-O 2.8Å; D495-R568 IonicContact OD1-CZ 3.97Å; D495-R568 IonicContact OD1-NH2 3.93Å; D495-R568 PolarHBondContact OD1-NH2 3.2Å; T566-R568 PolarHBondContact O-N 3.13Å; T566-R568 PolarHBondContact OG1-N 3.41Å; R568-T570 VanDerWaalsContact C-N 3.29Å; R568-T570 HydrophobicContact CB-CG2 4.34Å; R568-T570 PolarHBondContact O-N 2.72Å |
| 569 | G | 94.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 68.6 | 26.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S52 T566 D567 | S52-G569 WeakPolarHBondContact CB-O 3.31Å; S52-G569 WeakPolarHBondContact OG-CA 3.1Å; S52-G569 PolarHBondContact OG-O 3.46Å; T566-G569 PolarHBondContact O-N 3.12Å; D567-G569 VanDerWaalsContact C-N 3.25Å; D567-G569 PolarHBondContact O-N 3.36Å |
| 570 | T | 96.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -106 | 154.8 | 174.8 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | Q51 Q500 T566 R568 | Q51-T570 HydrophobicContact CB-CG2 3.9Å; Q51-T570 HydrophobicContact CG-CG2 3.96Å; Q500-T570 VanDerWaalsContact CD-OG1 3.27Å; Q500-T570 PolarHBondContact OE1-OG1 3.18Å; T566-T570 WeakPolarHBondContact CG2-OG1 3.5Å; T566-T570 PolarHBondContact N-O 3.46Å; T566-T570 PolarHBondContact OG1-N 3.01Å; T566-T570 PolarHBondContact OG1-O 3.09Å; T566-T570 PolarHBondContact OG1-OG1 3.3Å; R568-T570 VanDerWaalsContact C-N 3.29Å; R568-T570 HydrophobicContact CB-CG2 4.34Å; R568-T570 PolarHBondContact O-N 2.72Å | ||
| 571 | L | 96.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 133.8 | 176.4 | -175.9 | 65.8 | 0 | 0 | 0 | 110.4 | Y479 Q500 V501 G502 I510 L512 I529 W565 L573 | Y479-L571 HydrophobicContact CD1-CD2 3.98Å; Y479-L571 HydrophobicContact CE1-CD2 4.27Å; Q500-L571 CarbonylContact C-O 2.85Å; Q500-L571 WeakPolarHBondContact CA-O 3.42Å; V501-L571 HydrophobicContact CG2-CB 3.94Å; V501-L571 HydrophobicContact CG2-CD2 4.08Å; V501-L571 HydrophobicContact CG2-CG 4.03Å; V501-L571 VanDerWaalsContact CG2-O 3.27Å; V501-L571 WeakPolarHBondContact CG2-O 3.33Å; V501-L571 PolarHBondContact N-O 3.13Å; G502-L571 PolarHBondContact O-N 3.47Å; I510-L571 HydrophobicContact CD1-CD2 4.28Å; L512-L571 HydrophobicContact CD2-CD1 4.29Å; I529-L571 HydrophobicContact CD1-CD1 4.23Å; I529-L571 HydrophobicContact CD1-CD2 3.96Å; I529-L571 HydrophobicContact CD1-CG 4.43Å; I529-L571 HydrophobicContact CG1-CD1 4.2Å; I529-L571 HydrophobicContact CG1-CD2 4.43Å; I529-L571 HydrophobicContact CG2-CD2 4.32Å; W565-L571 HydrophobicContact CE3-CB 4.3Å; W565-L571 HydrophobicContact CE3-CD1 4.45Å; W565-L571 HydrophobicContact CH2-CB 4.46Å; W565-L571 HydrophobicContact CZ3-CB 3.84Å; W565-L571 HydrophobicContact CZ3-CD1 4.35Å; L571-L573 HydrophobicContact CD2-CD2 4.31Å |
| 572 | R | 92.7 | Very high | 85.7 | Confident | 115 Ų | 115 | 45.5 Ų | 45.5 | 43% | 0.434 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.6 | 168.5 | 173.3 | 174 | -61 | 168.9 | 10.4 | 109.4 | G499 G563 C564 T566 | G499-R572 VanDerWaalsContact O-CG 3.29Å; G499-R572 WeakPolarHBondContact O-CG 3.43Å; G499-R572 PolarHBondContact O-NE 2.86Å; G563-R572 CarbonylContact C-O 3.58Å; G563-R572 WeakPolarHBondContact CA-O 3.48Å; C564-R572 PolarHBondContact N-O 3.38Å; C564-R572 PolarHBondContact O-N 2.91Å; T566-R572 HydrophobicContact CG2-CB 4.21Å |
| 573 | L | 89.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 30% | 0.298 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.3 | 174.5 | -56.3 | 179.3 | 0 | 0 | 0 | 110.5 | Y479 V501 I529 L571 | Y479-L573 HydrophobicContact CD1-CD2 4.16Å; Y479-L573 HydrophobicContact CD2-CD1 3.46Å; Y479-L573 VanDerWaalsContact CD2-CD1 3.46Å; Y479-L573 HydrophobicContact CD2-CD2 3.77Å; Y479-L573 HydrophobicContact CD2-CG 4.22Å; Y479-L573 HydrophobicContact CE1-CD2 4.3Å; Y479-L573 HydrophobicContact CE2-CD1 4.12Å; Y479-L573 HydrophobicContact CE2-CD2 3.9Å; Y479-L573 HydrophobicContact CG-CD1 3.96Å; Y479-L573 HydrophobicContact CG-CD2 3.9Å; Y479-L573 HydrophobicContact CG-CG 4.42Å; V501-L573 HydrophobicContact CG1-CD1 4.07Å; V501-L573 HydrophobicContact CG1-CG 4.22Å; V501-L573 HydrophobicContact CG2-CD2 4.26Å; V501-L573 HydrophobicContact CG2-CG 4.02Å; I529-L573 HydrophobicContact CD1-CD2 3.48Å; I529-L573 VanDerWaalsContact CD1-CD2 3.48Å; L571-L573 HydrophobicContact CD2-CD2 4.31Å |
| 574 | I | 83.2 | Confident | 83.7 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 20% | 0.195 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -64.2 | 174.8 | -64.9 | 172.9 | 0 | 0 | 0 | 110.5 | Y520 I562 C564 A590 | Y520-I574 HydrophobicContact CE1-CD1 3.92Å; I562-I574 HydrophobicContact CB-CB 4.45Å; I562-I574 HydrophobicContact CG2-CB 4.2Å; I562-I574 HydrophobicContact CG2-CD1 4.12Å; I562-I574 PolarHBondContact O-N 3.46Å; C564-I574 WeakPolarHBondContact SG-CD1 3.49Å; I574-A590 HydrophobicContact CG2-CB 4.09Å |
| 575 | D | 76.9 | Confident | 82.3 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | -164.9 | -175.4 | -148.5 | -53.7 | 0 | 0 | 0 | 109.6 | I562 I580 A590 P591 E592 | I562-D575 PolarHBondContact N-O 3Å; D575-I580 HydrophobicContact CB-CD1 4.01Å; D575-I580 HydrophobicContact CB-CG1 3.83Å; D575-A590 HydrophobicContact CB-CB 3.71Å; D575-A590 WeakPolarHBondContact OD2-CA 3.49Å; D575-A590 VanDerWaalsContact OD2-CB 3.24Å; D575-A590 WeakPolarHBondContact OD2-CB 3.48Å; D575-P591 VanDerWaalsContact OD2-CD 3.24Å; D575-P591 WeakPolarHBondContact OD2-CD 3.48Å; D575-P591 VanDerWaalsContact OD2-N 3.07Å; D575-E592 WeakPolarHBondContact OD2-CB 3.29Å; D575-E592 PolarHBondContact OD2-N 3.13Å |
| 576 | R | 77.8 | Confident | 80.6 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.9 | 173.3 | -80.7 | 174.5 | 168.3 | -161 | -4.8 | 112.1 | D561 K578 H579 I580 | D561-R576 WeakPolarHBondContact OD1-CG 3.33Å; D561-R576 IonicContact OD1-CZ 3.15Å; D561-R576 IonicContact OD1-NE 2.73Å; D561-R576 PolarHBondContact OD1-NE 3.35Å; D561-R576 IonicContact OD1-NH2 2.77Å; R576-K578 PolarHBondContact O-N 3.45Å; R576-K578 VanDerWaalsContact O-N 3.08Å; R576-H579 HydrophobicContact CB-CB 4.01Å; R576-H579 PolarHBondContact O-N 3.27Å; R576-I580 WeakPolarHBondContact O-CG1 3.49Å; R576-I580 PolarHBondContact O-N 2.78Å; R576-I580 VanDerWaalsContact O-N 3.13Å |
| 577 | K | 74.8 | Confident | 79.4 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 24% | 0.243 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -35.6 | 174.9 | -175.3 | 171.5 | 177.2 | 163.9 | 0 | 112.3 | V515 E517 M518 G560 I562 | V515-K577 HydrophobicContact CG1-CD 4.12Å; V515-K577 HydrophobicContact CG1-CG 4.25Å; V515-K577 HydrophobicContact CG2-CD 4.38Å; E517-K577 WeakPolarHBondContact OE1-CE 3.36Å; E517-K577 IonicContact OE1-NZ 3.07Å; E517-K577 PolarHBondContact OE1-NZ 3.49Å; M518-K577 HydrophobicContact CE-CG 4.14Å; M518-K577 WeakPolarHBondContact CE-O 3.41Å; M518-K577 HydrophobicContact SD-CG 4.34Å; G560-K577 WeakPolarHBondContact O-CB 3.45Å; G560-K577 PolarHBondContact O-N 3.07Å; I562-K577 HydrophobicContact CD1-CB 3.93Å; I562-K577 HydrophobicContact CD1-CG 4.48Å; I562-K577 HydrophobicContact CG1-CB 4.32Å |
| 578 | K | 75.1 | Confident | 78.5 | Confident | 186 Ų | 186 | 49.9 Ų | 49.9 | 81% | 0.809 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13 | 178.8 | -66.4 | -175.1 | 179.2 | 179.6 | 0 | 114.7 | R576 | R576-K578 PolarHBondContact O-N 3.45Å; R576-K578 VanDerWaalsContact O-N 3.08Å |
| 579 | H | 72.2 | Confident | 77.8 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 14% | 0.139 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -23 | -175 | -67.5 | 178.1 | 0 | 0 | 0 | 113.3 | R576 F581 E592 | R576-H579 HydrophobicContact CB-CB 4.01Å; R576-H579 PolarHBondContact O-N 3.27Å; H579-F581 WeakPolarHBondContact O-CD1 3.46Å; H579-E592 IonicContact CE1-OE1 3.68Å; H579-E592 PolarHBondContact CE1-OE1 3.26Å; H579-E592 IonicContact CG-OE1 3.34Å; H579-E592 IonicContact ND1-OE1 3.74Å; H579-E592 PolarHBondContact ND1-OE1 3.37Å |
| 580 | I | 68 | Low | 77.1 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | trans | -65.5 | 133.5 | 173.7 | -63.6 | 169.7 | 0 | 0 | 0 | 109.4 | M518 Y520 I562 D575 R576 Y588 I589 A590 | M518-I580 HydrophobicContact CE-CB 3.96Å; M518-I580 HydrophobicContact CE-CG2 4.26Å; M518-I580 HydrophobicContact CG-CG2 4.25Å; M518-I580 HydrophobicContact SD-CB 3.78Å; M518-I580 HydrophobicContact SD-CD1 3.77Å; M518-I580 HydrophobicContact SD-CG1 4.36Å; M518-I580 HydrophobicContact SD-CG2 3.85Å; Y520-I580 HydrophobicContact CE2-CD1 3.92Å; I562-I580 HydrophobicContact CB-CD1 4.48Å; I562-I580 HydrophobicContact CG1-CD1 3.89Å; D575-I580 HydrophobicContact CB-CD1 4.01Å; D575-I580 HydrophobicContact CB-CG1 3.83Å; R576-I580 WeakPolarHBondContact O-CG1 3.49Å; R576-I580 PolarHBondContact O-N 2.78Å; R576-I580 VanDerWaalsContact O-N 3.13Å; I580-Y588 HydrophobicContact CG2-CD1 4.05Å; I580-I589 WeakPolarHBondContact CA-O 3.34Å; I580-A590 HydrophobicContact CG1-CB 4.4Å | ||
| 581 | F | 73.1 | Confident | 76.6 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.5 | 177.5 | 57.9 | -97.8 | 0 | 0 | 0 | 111.1 | H579 L583 Y588 I589 P591 G611 L618 | H579-F581 WeakPolarHBondContact O-CD1 3.46Å; F581-L583 HydrophobicContact CD2-CD2 4.45Å; F581-L583 HydrophobicContact CE2-CD2 4.05Å; F581-Y588 WeakPolarHBondContact O-CA 3.34Å; F581-I589 HydrophobicContact CD2-CB 4.15Å; F581-I589 HydrophobicContact CE1-CG2 4.35Å; F581-I589 HydrophobicContact CE2-CB 3.59Å; F581-I589 HydrophobicContact CE2-CG1 3.98Å; F581-I589 HydrophobicContact CE2-CG2 3.92Å; F581-I589 HydrophobicContact CZ-CB 3.82Å; F581-I589 HydrophobicContact CZ-CG2 3.64Å; F581-I589 PolarHBondContact N-O 3.44Å; F581-I589 PolarHBondContact O-N 2.96Å; F581-P591 HydrophobicContact CD1-CG 4.41Å; F581-P591 HydrophobicContact CE1-CB 3.96Å; F581-P591 HydrophobicContact CE1-CG 3.88Å; F581-G611 VanDerWaalsContact CZ-N 3.34Å; F581-L618 HydrophobicContact CE2-CD2 3.56Å; F581-L618 HydrophobicContact CZ-CD2 3.58Å |
| 582 | K | 69.8 | Low | 75.8 | Confident | 81 Ų | 81 | 50.4 Ų | 50.4 | 35% | 0.352 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 138.8 | 179 | -165.7 | 178.9 | -167.7 | 151.3 | 0 | 110.2 | G586 E587 Y588 D612 S613 | K582-G586 WeakPolarHBondContact CE-O 3.16Å; K582-E587 CarbonylContact C-O 3.53Å; K582-E587 WeakPolarHBondContact CA-O 3.3Å; K582-Y588 HydrophobicContact CB-CD1 4.1Å; K582-Y588 HydrophobicContact CB-CE1 3.89Å; K582-Y588 HydrophobicContact CD-CE1 4.17Å; K582-Y588 HydrophobicContact CD-CE2 4.06Å; K582-Y588 HydrophobicContact CG-CD1 4.45Å; K582-Y588 HydrophobicContact CG-CD2 4.48Å; K582-Y588 HydrophobicContact CG-CE1 4.15Å; K582-Y588 HydrophobicContact CG-CE2 4.17Å; K582-Y588 PolarHBondContact NZ-OH 2.89Å; K582-Y588 VanDerWaalsContact NZ-OH 3.11Å; K582-D612 CarbonylContact O-C 3.56Å; K582-S613 WeakPolarHBondContact O-CA 3.31Å; K582-S613 WeakPolarHBondContact O-CB 3.44Å; K582-S613 PolarHBondContact O-N 3.33Å; K582-S613 VanDerWaalsContact O-N 3.16Å; K582-S613 PolarHBondContact O-OG 2.92Å |
| 583 | L | 73.8 | Confident | 75.1 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | trans | -88.1 | 168.4 | 170.2 | -66.1 | 178.2 | 0 | 0 | 0 | 111.6 | F581 Q585 G586 E587 I589 L618 | F581-L583 HydrophobicContact CD2-CD2 4.45Å; F581-L583 HydrophobicContact CE2-CD2 4.05Å; L583-Q585 HydrophobicContact CB-CG 4.47Å; L583-Q585 PolarHBondContact O-N 3.23Å; L583-G586 WeakPolarHBondContact O-CA 3.33Å; L583-G586 PolarHBondContact O-N 2.88Å; L583-E587 PolarHBondContact N-O 3.08Å; L583-I589 HydrophobicContact CD1-CD1 3.94Å; L583-I589 HydrophobicContact CD1-CG1 3.7Å; L583-I589 HydrophobicContact CG-CG1 3.79Å; L583-L618 HydrophobicContact CD1-CD2 4.42Å; L583-L618 HydrophobicContact CD1-CG 4.44Å; L583-L618 HydrophobicContact CD2-CD2 3.98Å | ||
| 584 | A | 68.9 | Low | 74.9 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 50% | 0.504 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G586 S613 K615 | A584-G586 PolarHBondContact O-N 3.35Å; A584-S613 WeakPolarHBondContact CA-O 3.1Å; A584-S613 WeakPolarHBondContact CB-O 3.1Å; A584-S613 PolarHBondContact N-O 2.94Å; A584-K615 WeakPolarHBondContact CB-O 3.37Å; A584-K615 PolarHBondContact N-O 2.84Å |
| 585 | Q | 67.2 | Low | 75.2 | Confident | 86 Ų | 86 | 45.3 Ų | 45.3 | 40% | 0.402 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -6.1 | 174.8 | 62.3 | -92 | 29 | 0 | 0 | 113.9 | L583 E587 S616 | L583-Q585 HydrophobicContact CB-CG 4.47Å; L583-Q585 PolarHBondContact O-N 3.23Å; Q585-E587 HydrophobicContact CG-CB 4.08Å; Q585-E587 HydrophobicContact CG-CG 3.66Å; Q585-S616 PolarHBondContact NE2-O 2.83Å; Q585-S616 PolarHBondContact OE1-O 3.11Å |
| 586 | G | 59.7 | Low | 75.4 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 94.5 | -1.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K582 L583 A584 | K582-G586 WeakPolarHBondContact CE-O 3.16Å; L583-G586 WeakPolarHBondContact O-CA 3.33Å; L583-G586 PolarHBondContact O-N 2.88Å; A584-G586 PolarHBondContact O-N 3.35Å |
| 587 | E | 71 | Confident | 75.6 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | trans | -73 | 138.1 | 176.1 | -63.1 | -60.5 | 157.7 | 0 | 0 | 111.5 | K582 L583 Q585 F672 | K582-E587 CarbonylContact C-O 3.53Å; K582-E587 WeakPolarHBondContact CA-O 3.3Å; L583-E587 PolarHBondContact N-O 3.08Å; Q585-E587 HydrophobicContact CG-CB 4.08Å; Q585-E587 HydrophobicContact CG-CG 3.66Å; E587-F672 HydrophobicContact CB-CD2 4.03Å; E587-F672 HydrophobicContact CB-CE2 4.06Å; E587-F672 HydrophobicContact CG-CD1 4.47Å; E587-F672 HydrophobicContact CG-CD2 4.16Å; E587-F672 HydrophobicContact CG-CE1 4.49Å; E587-F672 HydrophobicContact CG-CE2 4.19Å; E587-F672 HydrophobicContact CG-CG 4.31Å; E587-F672 HydrophobicContact CG-CZ 4.36Å | ||
| 588 | Y | 73.2 | Confident | 76.4 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 22% | 0.216 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 139.6 | 174.9 | -70.2 | -95.1 | 0 | 0 | 0 | 110.6 | E517 M518 I580 F581 K582 | E517-Y588 WeakPolarHBondContact O-CE1 3.29Å; E517-Y588 PolarHBondContact O-OH 2.9Å; M518-Y588 HydrophobicContact CB-CD1 4.32Å; M518-Y588 HydrophobicContact CB-CE1 4.47Å; M518-Y588 HydrophobicContact CG-CD1 4.1Å; M518-Y588 HydrophobicContact CG-CE1 4.14Å; I580-Y588 HydrophobicContact CG2-CD1 4.05Å; F581-Y588 WeakPolarHBondContact O-CA 3.34Å; K582-Y588 HydrophobicContact CB-CD1 4.1Å; K582-Y588 HydrophobicContact CB-CE1 3.89Å; K582-Y588 HydrophobicContact CD-CE1 4.17Å; K582-Y588 HydrophobicContact CD-CE2 4.06Å; K582-Y588 HydrophobicContact CG-CD1 4.45Å; K582-Y588 HydrophobicContact CG-CD2 4.48Å; K582-Y588 HydrophobicContact CG-CE1 4.15Å; K582-Y588 HydrophobicContact CG-CE2 4.17Å; K582-Y588 PolarHBondContact NZ-OH 2.89Å; K582-Y588 VanDerWaalsContact NZ-OH 3.11Å |
| 589 | I | 78.1 | Confident | 77 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.3 | -177.1 | -58.7 | -63.8 | 0 | 0 | 0 | 109.2 | I580 F581 L583 P591 L594 L618 F672 E673 | I580-I589 WeakPolarHBondContact CA-O 3.34Å; F581-I589 HydrophobicContact CD2-CB 4.15Å; F581-I589 HydrophobicContact CE1-CG2 4.35Å; F581-I589 HydrophobicContact CE2-CB 3.59Å; F581-I589 HydrophobicContact CE2-CG1 3.98Å; F581-I589 HydrophobicContact CE2-CG2 3.92Å; F581-I589 HydrophobicContact CZ-CB 3.82Å; F581-I589 HydrophobicContact CZ-CG2 3.64Å; F581-I589 PolarHBondContact N-O 3.44Å; F581-I589 PolarHBondContact O-N 2.96Å; L583-I589 HydrophobicContact CD1-CD1 3.94Å; L583-I589 HydrophobicContact CD1-CG1 3.7Å; L583-I589 HydrophobicContact CG-CG1 3.79Å; I589-P591 WeakPolarHBondContact O-CD 3.4Å; I589-L594 HydrophobicContact CG2-CD1 3.62Å; I589-L618 HydrophobicContact CD1-CD1 4.28Å; I589-L618 HydrophobicContact CG1-CD1 4.43Å; I589-L618 HydrophobicContact CG1-CD2 4.23Å; I589-L618 HydrophobicContact CG2-CD1 3.94Å; I589-L618 HydrophobicContact CG2-CD2 4.08Å; I589-F672 HydrophobicContact CD1-CD2 3.84Å; I589-F672 HydrophobicContact CD1-CE2 4.18Å; I589-E673 HydrophobicContact CD1-CG 4.12Å |
| 590 | A | 81.1 | Confident | 77.5 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 5% | 0.05 | 21% | 0.206 | C | C | . | . | trans | -91 | 93.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109 | I574 D575 I580 E592 K593 L594 | I574-A590 HydrophobicContact CG2-CB 4.09Å; D575-A590 HydrophobicContact CB-CB 3.71Å; D575-A590 WeakPolarHBondContact OD2-CA 3.49Å; D575-A590 VanDerWaalsContact OD2-CB 3.24Å; D575-A590 WeakPolarHBondContact OD2-CB 3.48Å; I580-A590 HydrophobicContact CG1-CB 4.4Å; A590-E592 VanDerWaalsContact C-N 3.32Å; A590-E592 PolarHBondContact O-N 3.49Å; A590-K593 HydrophobicContact CB-CB 4.02Å; A590-K593 WeakPolarHBondContact O-CB 3.27Å; A590-K593 PolarHBondContact O-N 3.08Å; A590-L594 WeakPolarHBondContact O-CG 3.35Å | ||
| 591 | P | 84.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -34.4 | -174.8 | 26.4 | -35.6 | 0 | 0 | 0 | 113.5 | D575 F581 I589 K593 L594 E595 V609 R700 | D575-P591 VanDerWaalsContact OD2-CD 3.24Å; D575-P591 WeakPolarHBondContact OD2-CD 3.48Å; D575-P591 VanDerWaalsContact OD2-N 3.07Å; F581-P591 HydrophobicContact CD1-CG 4.41Å; F581-P591 HydrophobicContact CE1-CB 3.96Å; F581-P591 HydrophobicContact CE1-CG 3.88Å; I589-P591 WeakPolarHBondContact O-CD 3.4Å; P591-K593 VanDerWaalsContact C-N 3.31Å; P591-K593 PolarHBondContact O-N 3.5Å; P591-L594 WeakPolarHBondContact O-CB 3.36Å; P591-L594 PolarHBondContact O-N 2.94Å; P591-L594 VanDerWaalsContact O-N 3.09Å; P591-E595 WeakPolarHBondContact O-CB 3.28Å; P591-E595 VanDerWaalsContact O-CG 3.24Å; P591-E595 WeakPolarHBondContact O-CG 3.43Å; P591-E595 PolarHBondContact O-N 3.46Å; P591-V609 HydrophobicContact CB-CB 4.38Å; P591-R700 VanDerWaalsContact CG-CZ 3.41Å; P591-R700 VanDerWaalsContact CG-NH2 3.25Å |
| 592 | E | 80.2 | Confident | 78.9 | Confident | 55 Ų | 55 | 43 Ų | 43 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.6 | -35.4 | -177.1 | -65.5 | -173.7 | -169.6 | 0 | 0 | 110.9 | D575 H579 A590 L594 E595 N596 | D575-E592 WeakPolarHBondContact OD2-CB 3.29Å; D575-E592 PolarHBondContact OD2-N 3.13Å; H579-E592 IonicContact CE1-OE1 3.68Å; H579-E592 PolarHBondContact CE1-OE1 3.26Å; H579-E592 IonicContact CG-OE1 3.34Å; H579-E592 IonicContact ND1-OE1 3.74Å; H579-E592 PolarHBondContact ND1-OE1 3.37Å; A590-E592 VanDerWaalsContact C-N 3.32Å; A590-E592 PolarHBondContact O-N 3.49Å; E592-L594 VanDerWaalsContact C-N 3.3Å; E592-L594 PolarHBondContact O-N 2.98Å; E592-E595 PolarHBondContact O-N 2.69Å; E592-N596 WeakPolarHBondContact O-CB 3.15Å; E592-N596 VanDerWaalsContact O-CG 3.26Å; E592-N596 PolarHBondContact O-N 3.41Å; E592-N596 PolarHBondContact O-ND2 3.23Å; E592-N596 VanDerWaalsContact O-ND2 3.08Å |
| 593 | K | 78.7 | Confident | 79.8 | Confident | 88 Ų | 88 | 39.4 Ų | 39.4 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.7 | -47 | 169.5 | 176.6 | -166.9 | 170.5 | -164.3 | 0 | 111.1 | A590 P591 V597 E673 | A590-K593 HydrophobicContact CB-CB 4.02Å; A590-K593 WeakPolarHBondContact O-CB 3.27Å; A590-K593 PolarHBondContact O-N 3.08Å; P591-K593 VanDerWaalsContact C-N 3.31Å; P591-K593 PolarHBondContact O-N 3.5Å; K593-V597 WeakPolarHBondContact O-CG2 3.16Å; K593-V597 PolarHBondContact O-N 3.26Å; K593-E673 IonicContact NZ-OE1 3.63Å; K593-E673 PolarHBondContact NZ-OE1 2.69Å; K593-E673 IonicContact NZ-OE2 3.11Å |
| 594 | L | 85.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.6 | -45.1 | -178.1 | -50.7 | -178.9 | 0 | 0 | 0 | 111.5 | I589 A590 P591 E592 N596 V597 Y598 V609 L618 L669 E673 | I589-L594 HydrophobicContact CG2-CD1 3.62Å; A590-L594 WeakPolarHBondContact O-CG 3.35Å; P591-L594 WeakPolarHBondContact O-CB 3.36Å; P591-L594 PolarHBondContact O-N 2.94Å; P591-L594 VanDerWaalsContact O-N 3.09Å; E592-L594 VanDerWaalsContact C-N 3.3Å; E592-L594 PolarHBondContact O-N 2.98Å; L594-N596 VanDerWaalsContact C-N 3.32Å; L594-N596 PolarHBondContact O-N 2.77Å; L594-V597 WeakPolarHBondContact O-CB 3.28Å; L594-V597 PolarHBondContact O-N 3.12Å; L594-V597 VanDerWaalsContact O-N 3.11Å; L594-Y598 HydrophobicContact CB-CD2 4.31Å; L594-Y598 HydrophobicContact CB-CE2 3.8Å; L594-Y598 WeakPolarHBondContact O-CD2 3.33Å; L594-Y598 PolarHBondContact O-N 2.66Å; L594-V609 HydrophobicContact CB-CG2 4.44Å; L594-V609 HydrophobicContact CD1-CG1 4.19Å; L594-L618 HydrophobicContact CD1-CD1 3.42Å; L594-L618 VanDerWaalsContact CD1-CD1 3.42Å; L594-L669 HydrophobicContact CD2-CD1 3.77Å; L594-L669 HydrophobicContact CD2-CD2 3.59Å; L594-L669 HydrophobicContact CD2-CG 4.28Å; L594-E673 HydrophobicContact CD1-CB 4.47Å; L594-E673 WeakPolarHBondContact CD1-O 3.28Å; L594-E673 HydrophobicContact CD2-CB 3.81Å; L594-E673 HydrophobicContact CD2-CG 4.28Å |
| 595 | E | 89.3 | Confident | 81.5 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 177.7 | -71.2 | 168.3 | -176.8 | 0 | 0 | 111.1 | P591 E592 V597 Y598 L599 I607 V609 R700 | P591-E595 WeakPolarHBondContact O-CB 3.28Å; P591-E595 VanDerWaalsContact O-CG 3.24Å; P591-E595 WeakPolarHBondContact O-CG 3.43Å; P591-E595 PolarHBondContact O-N 3.46Å; E592-E595 PolarHBondContact O-N 2.69Å; E595-V597 VanDerWaalsContact C-N 3.32Å; E595-V597 PolarHBondContact O-N 3Å; E595-Y598 PolarHBondContact O-N 2.85Å; E595-L599 WeakPolarHBondContact O-CB 3.48Å; E595-L599 VanDerWaalsContact O-CG 3.29Å; E595-L599 WeakPolarHBondContact O-CG 3.44Å; E595-L599 PolarHBondContact O-N 3.42Å; E595-I607 HydrophobicContact CB-CG2 3.84Å; E595-I607 HydrophobicContact CG-CG2 3.98Å; E595-V609 HydrophobicContact CG-CB 3.94Å; E595-V609 HydrophobicContact CG-CG2 3.59Å; E595-V609 PolarHBondContact OE1-N 2.98Å; E595-R700 IonicContact OE1-CZ 3Å; E595-R700 IonicContact OE1-NH1 3.9Å; E595-R700 PolarHBondContact OE1-NH1 3.44Å; E595-R700 IonicContact OE1-NH2 2.76Å; E595-R700 IonicContact OE2-NH1 3.24Å; E595-R700 PolarHBondContact OE2-NH1 3.01Å |
| 596 | N | 81 | Confident | 82.7 | Confident | 59 Ų | 59 | 37.4 Ų | 37.4 | 32% | 0.316 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.5 | -35.6 | 176.1 | -74.6 | -33.7 | 0 | 0 | 0 | 112.8 | E592 L594 H600 | E592-N596 WeakPolarHBondContact O-CB 3.15Å; E592-N596 VanDerWaalsContact O-CG 3.26Å; E592-N596 PolarHBondContact O-N 3.41Å; E592-N596 PolarHBondContact O-ND2 3.23Å; E592-N596 VanDerWaalsContact O-ND2 3.08Å; L594-N596 VanDerWaalsContact C-N 3.32Å; L594-N596 PolarHBondContact O-N 2.77Å; N596-H600 PolarHBondContact O-CE1 3.09Å; N596-H600 PolarHBondContact O-ND1 2.81Å |
| 597 | V | 82.7 | Confident | 84.3 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 13% | 0.127 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -49.6 | 172 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | K593 L594 E595 L599 H600 L663 L669 | K593-V597 WeakPolarHBondContact O-CG2 3.16Å; K593-V597 PolarHBondContact O-N 3.26Å; L594-V597 WeakPolarHBondContact O-CB 3.28Å; L594-V597 PolarHBondContact O-N 3.12Å; L594-V597 VanDerWaalsContact O-N 3.11Å; E595-V597 VanDerWaalsContact C-N 3.32Å; E595-V597 PolarHBondContact O-N 3Å; V597-L599 VanDerWaalsContact C-N 3.34Å; V597-L599 PolarHBondContact O-N 3.09Å; V597-H600 WeakPolarHBondContact O-CB 3.32Å; V597-H600 PolarHBondContact O-N 3.34Å; V597-H600 PolarHBondContact O-ND1 2.78Å; V597-L663 HydrophobicContact CG1-CB 4.42Å; V597-L669 HydrophobicContact CB-CD1 4.4Å; V597-L669 HydrophobicContact CG1-CD1 4.14Å |
| 598 | Y | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.9 | -25.1 | -175.6 | -58.9 | -46.3 | 0 | 0 | 0 | 114.2 | L594 E595 H600 S601 I607 V609 M660 L669 E673 V675 | L594-Y598 HydrophobicContact CB-CD2 4.31Å; L594-Y598 HydrophobicContact CB-CE2 3.8Å; L594-Y598 WeakPolarHBondContact O-CD2 3.33Å; L594-Y598 PolarHBondContact O-N 2.66Å; E595-Y598 PolarHBondContact O-N 2.85Å; Y598-H600 PolarHBondContact O-N 3.5Å; Y598-H600 VanDerWaalsContact O-N 3.11Å; Y598-S601 WeakPolarHBondContact O-CB 3.49Å; Y598-S601 PolarHBondContact O-N 2.85Å; Y598-I607 HydrophobicContact CD2-CD1 3.69Å; Y598-I607 HydrophobicContact CG-CD1 3.99Å; Y598-V609 HydrophobicContact CD2-CG2 4.08Å; Y598-V609 HydrophobicContact CE2-CG2 4.12Å; Y598-M660 HydrophobicContact CD1-CB 3.8Å; Y598-M660 HydrophobicContact CD1-CE 3.95Å; Y598-M660 HydrophobicContact CD1-CG 4.01Å; Y598-M660 HydrophobicContact CD2-CE 3.77Å; Y598-M660 HydrophobicContact CE1-CB 3.97Å; Y598-M660 HydrophobicContact CE1-CE 4.19Å; Y598-M660 WeakPolarHBondContact CE1-O 2.78Å; Y598-M660 HydrophobicContact CE2-CE 4.02Å; Y598-M660 HydrophobicContact CG-CE 3.75Å; Y598-M660 HydrophobicContact CG-CG 4.38Å; Y598-L669 HydrophobicContact CE1-CD1 4.26Å; Y598-E673 PolarHBondContact OH-O 3.28Å; Y598-V675 HydrophobicContact CE2-CG2 3.76Å |
| 599 | L | 87.8 | Confident | 86.4 | Confident | 72 Ų | 72 | 29.9 Ų | 29.9 | 38% | 0.377 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -9.3 | 173.1 | -77.2 | 170.5 | 0 | 0 | 0 | 113.8 | E595 V597 I604 I607 | E595-L599 WeakPolarHBondContact O-CB 3.48Å; E595-L599 VanDerWaalsContact O-CG 3.29Å; E595-L599 WeakPolarHBondContact O-CG 3.44Å; E595-L599 PolarHBondContact O-N 3.42Å; V597-L599 VanDerWaalsContact C-N 3.34Å; V597-L599 PolarHBondContact O-N 3.09Å; L599-I604 HydrophobicContact CD2-CG2 4.29Å; L599-I607 HydrophobicContact CD2-CG2 4.03Å; L599-I607 HydrophobicContact CG-CG2 3.89Å |
| 600 | H | 82.6 | Confident | 87.1 | Confident | 81 Ų | 81 | 30.6 Ų | 30.6 | 38% | 0.375 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.9 | 169.1 | -66.3 | 80.6 | 0 | 0 | 0 | 113.3 | S460 N596 V597 Y598 K602 L663 | S460-H600 VanDerWaalsContact CB-CE1 3.45Å; S460-H600 WeakPolarHBondContact CB-CE1 3.5Å; S460-H600 WeakPolarHBondContact CB-NE2 2.89Å; S460-H600 PolarHBondContact OG-NE2 2.85Å; S460-H600 VanDerWaalsContact OG-NE2 3.11Å; N596-H600 PolarHBondContact O-CE1 3.09Å; N596-H600 PolarHBondContact O-ND1 2.81Å; V597-H600 WeakPolarHBondContact O-CB 3.32Å; V597-H600 PolarHBondContact O-N 3.34Å; V597-H600 PolarHBondContact O-ND1 2.78Å; Y598-H600 PolarHBondContact O-N 3.5Å; Y598-H600 VanDerWaalsContact O-N 3.11Å; H600-K602 PolarHBondContact O-N 2.81Å; H600-L663 HydrophobicContact CB-CD1 4.41Å; H600-L663 HydrophobicContact CB-CD2 4.34Å |
| 601 | S | 86.7 | Confident | 87.3 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | trans | -65.4 | 124.7 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | Y598 F603 I604 D659 | Y598-S601 WeakPolarHBondContact O-CB 3.49Å; Y598-S601 PolarHBondContact O-N 2.85Å; S601-F603 PolarHBondContact O-N 3.16Å; S601-F603 PolarHBondContact OG-N 2.98Å; S601-I604 PolarHBondContact O-N 2.87Å; S601-D659 WeakPolarHBondContact CB-OD2 3.02Å; S601-D659 PolarHBondContact OG-OD2 2.95Å | ||
| 602 | K | 84.2 | Confident | 87 | Confident | 104 Ų | 104 | 32.7 Ų | 32.7 | 45% | 0.452 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -17.4 | 171.5 | 65.7 | -171 | 178.9 | -172.2 | 0 | 113.3 | H600 F628 | H600-K602 PolarHBondContact O-N 2.81Å; K602-F628 WeakPolarHBondContact O-CB 3.22Å |
| 603 | F | 89.2 | Confident | 86.4 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -11.2 | -179.5 | -55.1 | -60.6 | 0 | 0 | 0 | 113.4 | S601 P624 N625 L629 H632 L655 I656 D659 | S601-F603 PolarHBondContact O-N 3.16Å; S601-F603 PolarHBondContact OG-N 2.98Å; F603-P624 CarbonylContact O-C 3.43Å; F603-P624 VanDerWaalsContact O-CA 3.29Å; F603-P624 WeakPolarHBondContact O-CA 3.38Å; F603-N625 PolarHBondContact O-N 2.82Å; F603-L629 HydrophobicContact CD1-CB 4.49Å; F603-L629 HydrophobicContact CD1-CD1 3.9Å; F603-L629 HydrophobicContact CE1-CD1 4.43Å; F603-H632 HydrophobicContact CE1-CB 3.82Å; F603-H632 AromaticContact CE1-CD2 3.77Å; F603-H632 AromaticContact CE1-CG 3.7Å; F603-H632 AromaticContact CZ-CD2 3.72Å; F603-H632 AromaticContact CZ-CG 3.91Å; F603-H632 AromaticContact CZ-NE2 3.89Å; F603-L655 HydrophobicContact CE1-CD2 4.34Å; F603-L655 HydrophobicContact CE2-CD1 4.39Å; F603-L655 HydrophobicContact CE2-CG 4.33Å; F603-L655 HydrophobicContact CZ-CD1 4.31Å; F603-L655 HydrophobicContact CZ-CD2 4.19Å; F603-L655 HydrophobicContact CZ-CG 4.33Å; F603-I656 HydrophobicContact CB-CG1 4.19Å; F603-D659 HydrophobicContact CD2-CB 4.04Å; F603-D659 HydrophobicContact CE2-CB 4.12Å |
| 604 | I | 90.8 | Very high | 86.1 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.4 | -171.7 | -60.1 | -177 | 0 | 0 | 0 | 109.4 | L599 S601 Q606 I607 V622 I656 M660 | L599-I604 HydrophobicContact CD2-CG2 4.29Å; S601-I604 PolarHBondContact O-N 2.87Å; I604-Q606 WeakPolarHBondContact CG2-O 3.42Å; I604-I607 HydrophobicContact CD1-CD1 4.48Å; I604-I607 HydrophobicContact CG2-CB 4.09Å; I604-V622 HydrophobicContact CB-CG1 4.34Å; I604-V622 HydrophobicContact CD1-CG1 4.1Å; I604-V622 HydrophobicContact CD1-CG2 4.35Å; I604-V622 HydrophobicContact CG1-CG1 3.72Å; I604-V622 HydrophobicContact CG2-CG1 4.1Å; I604-I656 HydrophobicContact CD1-CG2 4.15Å; I604-I656 HydrophobicContact CG1-CG2 4.18Å; I604-M660 HydrophobicContact CD1-CG 3.68Å; I604-M660 HydrophobicContact CD1-SD 3.77Å |
| 605 | S | 87.7 | Confident | 85.7 | Confident | 67 Ų | 67 | 39.5 Ų | 39.5 | 47% | 0.469 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -37.5 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 112.3 | V623 | S605-V623 PolarHBondContact N-O 3.39Å |
| 606 | Q | 91.7 | Very high | 85.2 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 152.2 | 176.9 | -54.1 | 172.2 | -62.4 | 0 | 0 | 108.8 | I604 V623 F685 | I604-Q606 WeakPolarHBondContact CG2-O 3.42Å; Q606-V623 HydrophobicContact CB-CB 3.9Å; Q606-V623 HydrophobicContact CB-CG2 3.97Å; Q606-V623 HydrophobicContact CG-CB 4.45Å; Q606-V623 PolarHBondContact N-O 3.3Å; Q606-V623 PolarHBondContact O-N 3.46Å; Q606-F685 HydrophobicContact CB-CD2 3.9Å; Q606-F685 HydrophobicContact CB-CE2 4.1Å; Q606-F685 PolarHBondContact NE2-O 2.9Å |
| 607 | I | 94.5 | Very high | 85.5 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 147 | 179.4 | -174.1 | 168.3 | 0 | 0 | 0 | 110.5 | E595 Y598 L599 I604 V609 A620 V621 V622 M660 | E595-I607 HydrophobicContact CB-CG2 3.84Å; E595-I607 HydrophobicContact CG-CG2 3.98Å; Y598-I607 HydrophobicContact CD2-CD1 3.69Å; Y598-I607 HydrophobicContact CG-CD1 3.99Å; L599-I607 HydrophobicContact CD2-CG2 4.03Å; L599-I607 HydrophobicContact CG-CG2 3.89Å; I604-I607 HydrophobicContact CD1-CD1 4.48Å; I604-I607 HydrophobicContact CG2-CB 4.09Å; I607-V609 HydrophobicContact CD1-CG2 4.11Å; I607-V609 HydrophobicContact CG1-CG2 4.24Å; I607-A620 HydrophobicContact CD1-CB 4.08Å; I607-A620 HydrophobicContact CG1-CB 4.11Å; I607-V621 CarbonylContact C-O 3.6Å; I607-V621 WeakPolarHBondContact CA-O 3.35Å; I607-V622 HydrophobicContact CD1-CG2 4.19Å; I607-V622 HydrophobicContact CG1-CG2 4.21Å; I607-M660 HydrophobicContact CD1-CE 3.62Å; I607-M660 HydrophobicContact CD1-SD 4.47Å |
| 608 | F | 94.3 | Very high | 86 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 109.7 | 169.8 | 168.1 | -119.1 | 0 | 0 | 0 | 108.7 | H610 A620 V621 F685 R700 L703 R704 I711 | F608-H610 HydrophobicContact CE1-CB 3.99Å; F608-H610 HydrophobicContact CZ-CB 4.13Å; F608-A620 CarbonylContact O-C 3.59Å; F608-A620 WeakPolarHBondContact O-CA 3.44Å; F608-A620 WeakPolarHBondContact O-CB 3.2Å; F608-V621 HydrophobicContact CB-CB 4.38Å; F608-V621 HydrophobicContact CD1-CB 4.43Å; F608-V621 HydrophobicContact CD1-CG2 4.29Å; F608-V621 PolarHBondContact N-O 2.86Å; F608-V621 PolarHBondContact O-N 3.07Å; F608-F685 HydrophobicContact CB-CE2 3.96Å; F608-F685 HydrophobicContact CB-CZ 4.06Å; F608-R700 HydrophobicContact CE2-CB 3.99Å; F608-R700 HydrophobicContact CE2-CG 4.22Å; F608-L703 HydrophobicContact CB-CD1 4.28Å; F608-L703 HydrophobicContact CD1-CB 3.95Å; F608-L703 HydrophobicContact CD2-CB 4.27Å; F608-L703 HydrophobicContact CD2-CD1 3.97Å; F608-L703 HydrophobicContact CE1-CB 3.9Å; F608-L703 HydrophobicContact CE2-CB 4.23Å; F608-L703 HydrophobicContact CG-CB 4.13Å; F608-L703 HydrophobicContact CG-CD1 4.07Å; F608-L703 HydrophobicContact CZ-CB 4.04Å; F608-R704 HydrophobicContact CZ-CB 4.32Å; F608-I711 HydrophobicContact CE1-CD1 4.21Å |
| 609 | V | 94 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.1 | 176.1 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | P591 L594 E595 Y598 I607 L618 A620 V675 R700 | P591-V609 HydrophobicContact CB-CB 4.38Å; L594-V609 HydrophobicContact CB-CG2 4.44Å; L594-V609 HydrophobicContact CD1-CG1 4.19Å; E595-V609 HydrophobicContact CG-CB 3.94Å; E595-V609 HydrophobicContact CG-CG2 3.59Å; E595-V609 PolarHBondContact OE1-N 2.98Å; Y598-V609 HydrophobicContact CD2-CG2 4.08Å; Y598-V609 HydrophobicContact CE2-CG2 4.12Å; I607-V609 HydrophobicContact CD1-CG2 4.11Å; I607-V609 HydrophobicContact CG1-CG2 4.24Å; V609-L618 HydrophobicContact CG1-CB 4.37Å; V609-L618 HydrophobicContact CG1-CD1 4.27Å; V609-L618 HydrophobicContact CG1-CD2 4.39Å; V609-A620 HydrophobicContact CG2-CB 4.12Å; V609-V675 HydrophobicContact CG1-CG2 4.2Å; V609-V675 HydrophobicContact CG2-CG2 4.1Å; V609-R700 PolarHBondContact O-NH2 3.5Å |
| 610 | H | 92.2 | Very high | 86.7 | Confident | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.069 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 143.3 | -179.9 | -177 | 66.7 | 0 | 0 | 0 | 111.6 | F608 L618 V619 I711 Y715 | F608-H610 HydrophobicContact CE1-CB 3.99Å; F608-H610 HydrophobicContact CZ-CB 4.13Å; H610-L618 WeakPolarHBondContact O-CA 3.5Å; H610-V619 HydrophobicContact CB-CG2 4.18Å; H610-V619 PolarHBondContact N-O 2.63Å; H610-V619 PolarHBondContact O-N 3.2Å; H610-I711 HydrophobicContact CB-CD1 4.41Å; H610-I711 VanDerWaalsContact CD2-CG2 3.47Å; H610-I711 WeakPolarHBondContact CD2-CG2 3.36Å; H610-Y715 AromaticContact CD2-CE2 4Å; H610-Y715 PolarHBondContact O-OH 2.97Å |
| 611 | G | 85.7 | Confident | 87.4 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | trans | -148.2 | 162.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | F581 Y715 | F581-G611 VanDerWaalsContact CZ-N 3.34Å; G611-Y715 WeakPolarHBondContact CA-OH 3.24Å | ||
| 612 | D | 76.9 | Confident | 87.9 | Confident | 43 Ų | 43 | 32.3 Ų | 32.3 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | trans | -139.9 | 150.4 | 177.9 | -167.8 | -48.4 | 0 | 0 | 0 | 108.4 | K582 L614 K615 R704 | K582-D612 CarbonylContact O-C 3.56Å; D612-L614 PolarHBondContact O-N 3.27Å; D612-L614 PolarHBondContact OD1-N 3.01Å; D612-L614 VanDerWaalsContact OD1-N 3.08Å; D612-K615 HydrophobicContact CB-CG 4.17Å; D612-K615 PolarHBondContact O-N 3.19Å; D612-R704 IonicContact OD2-CZ 3.83Å; D612-R704 IonicContact OD2-NH2 3.24Å; D612-R704 PolarHBondContact OD2-NH2 3.46Å | ||
| 613 | S | 69 | Low | 88.3 | Confident | 63 Ų | 63 | 27.8 Ų | 27.8 | 44% | 0.441 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.4 | 177.5 | -52.7 | 0 | 0 | 0 | 0 | 114.3 | K582 A584 | K582-S613 WeakPolarHBondContact O-CA 3.31Å; K582-S613 WeakPolarHBondContact O-CB 3.44Å; K582-S613 PolarHBondContact O-N 3.33Å; K582-S613 VanDerWaalsContact O-N 3.16Å; K582-S613 PolarHBondContact O-OG 2.92Å; A584-S613 WeakPolarHBondContact CA-O 3.1Å; A584-S613 WeakPolarHBondContact CB-O 3.1Å; A584-S613 PolarHBondContact N-O 2.94Å |
| 614 | L | 71.1 | Confident | 88.5 | Confident | 149 Ų | 149 | 28.1 Ų | 28.1 | 78% | 0.78 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -2.7 | 171.8 | -60.1 | 179.7 | 0 | 0 | 0 | 113.8 | D612 | D612-L614 PolarHBondContact O-N 3.27Å; D612-L614 PolarHBondContact OD1-N 3.01Å; D612-L614 VanDerWaalsContact OD1-N 3.08Å |
| 615 | K | 78.3 | Confident | 88.4 | Confident | 75 Ų | 75 | 29.5 Ų | 29.5 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | trans | -117.2 | 142.6 | -174.9 | -58.8 | -63.9 | -173.4 | 179.9 | 0 | 110.5 | A584 D612 Y715 | A584-K615 WeakPolarHBondContact CB-O 3.37Å; A584-K615 PolarHBondContact N-O 2.84Å; D612-K615 HydrophobicContact CB-CG 4.17Å; D612-K615 PolarHBondContact O-N 3.19Å; K615-Y715 HydrophobicContact CB-CD1 4.14Å; K615-Y715 HydrophobicContact CB-CE1 3.57Å; K615-Y715 HydrophobicContact CD-CD1 3.62Å; K615-Y715 HydrophobicContact CD-CD2 4.19Å; K615-Y715 HydrophobicContact CD-CE1 3.95Å; K615-Y715 HydrophobicContact CD-CE2 4.46Å; K615-Y715 HydrophobicContact CD-CG 3.77Å; K615-Y715 HydrophobicContact CG-CD1 3.81Å; K615-Y715 HydrophobicContact CG-CD2 4.09Å; K615-Y715 HydrophobicContact CG-CE1 3.59Å; K615-Y715 HydrophobicContact CG-CE2 3.86Å; K615-Y715 HydrophobicContact CG-CG 4.07Å | ||
| 616 | S | 78.4 | Confident | 88.3 | Confident | 80 Ų | 80 | 30.6 Ų | 30.6 | 56% | 0.559 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -87.2 | -8.6 | -178.6 | 56.3 | 0 | 0 | 0 | 0 | 114 | Q585 | Q585-S616 PolarHBondContact NE2-O 2.83Å; Q585-S616 PolarHBondContact OE1-O 3.11Å |
| 617 | C | 87 | Confident | 87.9 | Confident | 19 Ų | 19 | 35.3 Ų | 35.3 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -142.9 | 164.6 | -171.6 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | K676 Y715 | C617-K676 HydrophobicContact CB-CB 4.27Å; C617-K676 HydrophobicContact CB-CG 3.59Å; C617-Y715 WeakPolarHBondContact O-CE1 3.42Å; C617-Y715 PolarHBondContact O-OH 2.63Å; C617-Y715 VanDerWaalsContact O-OH 3.13Å |
| 618 | L | 93.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 146.1 | 179.6 | -61.3 | 174.1 | 0 | 0 | 0 | 111.1 | F581 L583 I589 L594 V609 H610 E673 V675 K676 | F581-L618 HydrophobicContact CE2-CD2 3.56Å; F581-L618 HydrophobicContact CZ-CD2 3.58Å; L583-L618 HydrophobicContact CD1-CD2 4.42Å; L583-L618 HydrophobicContact CD1-CG 4.44Å; L583-L618 HydrophobicContact CD2-CD2 3.98Å; I589-L618 HydrophobicContact CD1-CD1 4.28Å; I589-L618 HydrophobicContact CG1-CD1 4.43Å; I589-L618 HydrophobicContact CG1-CD2 4.23Å; I589-L618 HydrophobicContact CG2-CD1 3.94Å; I589-L618 HydrophobicContact CG2-CD2 4.08Å; L594-L618 HydrophobicContact CD1-CD1 3.42Å; L594-L618 VanDerWaalsContact CD1-CD1 3.42Å; V609-L618 HydrophobicContact CG1-CB 4.37Å; V609-L618 HydrophobicContact CG1-CD1 4.27Å; V609-L618 HydrophobicContact CG1-CD2 4.39Å; H610-L618 WeakPolarHBondContact O-CA 3.5Å; L618-E673 WeakPolarHBondContact CD1-O 3.49Å; L618-V675 HydrophobicContact CB-CG2 4.25Å; L618-V675 CarbonylContact O-C 3.59Å; L618-V675 WeakPolarHBondContact O-CA 3.25Å; L618-K676 PolarHBondContact O-N 2.92Å |
| 619 | V | 96 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 158.7 | 170.1 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | H610 D677 I711 M714 Y715 L718 | H610-V619 HydrophobicContact CB-CG2 4.18Å; H610-V619 PolarHBondContact N-O 2.63Å; H610-V619 PolarHBondContact O-N 3.2Å; V619-D677 WeakPolarHBondContact CA-O 3.47Å; V619-D677 HydrophobicContact CG1-CB 4.49Å; V619-I711 HydrophobicContact CG2-CG2 4.26Å; V619-M714 HydrophobicContact CB-CB 4.26Å; V619-M714 HydrophobicContact CB-CE 3.83Å; V619-M714 HydrophobicContact CB-SD 4.04Å; V619-M714 HydrophobicContact CG1-CB 3.86Å; V619-M714 HydrophobicContact CG2-CE 3.86Å; V619-Y715 HydrophobicContact CG1-CD1 4.07Å; V619-Y715 HydrophobicContact CG1-CE1 3.75Å; V619-Y715 HydrophobicContact CG2-CE1 4.41Å; V619-Y715 HydrophobicContact CG2-CE2 3.86Å; V619-L718 HydrophobicContact CG1-CD1 3.8Å |
| 620 | A | 97.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 148.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I607 F608 V609 V675 D677 I678 Y679 | I607-A620 HydrophobicContact CD1-CB 4.08Å; I607-A620 HydrophobicContact CG1-CB 4.11Å; F608-A620 CarbonylContact O-C 3.59Å; F608-A620 WeakPolarHBondContact O-CA 3.44Å; F608-A620 WeakPolarHBondContact O-CB 3.2Å; V609-A620 HydrophobicContact CG2-CB 4.12Å; A620-V675 HydrophobicContact CB-CG1 3.8Å; A620-V675 HydrophobicContact CB-CG2 3.96Å; A620-D677 PolarHBondContact N-O 2.65Å; A620-I678 HydrophobicContact CB-CG2 4.24Å; A620-I678 CarbonylContact O-C 3.49Å; A620-I678 VanDerWaalsContact O-CA 3.23Å; A620-I678 WeakPolarHBondContact O-CA 3.26Å; A620-Y679 PolarHBondContact O-N 3.09Å |
| 621 | V | 97.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.6 | 166 | 179.2 | 0 | 0 | 0 | 0 | 108 | I607 F608 Y679 F685 F707 | I607-V621 CarbonylContact C-O 3.6Å; I607-V621 WeakPolarHBondContact CA-O 3.35Å; F608-V621 HydrophobicContact CB-CB 4.38Å; F608-V621 HydrophobicContact CD1-CB 4.43Å; F608-V621 HydrophobicContact CD1-CG2 4.29Å; F608-V621 PolarHBondContact N-O 2.86Å; F608-V621 PolarHBondContact O-N 3.07Å; V621-Y679 CarbonylContact C-O 3.55Å; V621-Y679 WeakPolarHBondContact CA-O 3.21Å; V621-Y679 HydrophobicContact CG1-CD1 4.03Å; V621-Y679 HydrophobicContact CG2-CD1 4.46Å; V621-F685 HydrophobicContact CB-CZ 4.31Å; V621-F685 HydrophobicContact CG1-CE1 4.05Å; V621-F685 HydrophobicContact CG1-CZ 3.84Å; V621-F707 HydrophobicContact CB-CD2 4.48Å; V621-F707 HydrophobicContact CG1-CD1 4.24Å; V621-F707 HydrophobicContact CG1-CD2 4.15Å; V621-F707 HydrophobicContact CG1-CE1 4.07Å; V621-F707 HydrophobicContact CG1-CE2 3.98Å; V621-F707 HydrophobicContact CG1-CG 4.29Å; V621-F707 HydrophobicContact CG1-CZ 3.94Å; V621-F707 HydrophobicContact CG2-CB 3.94Å; V621-F707 HydrophobicContact CG2-CD1 4.3Å; V621-F707 HydrophobicContact CG2-CD2 4.07Å; V621-F707 HydrophobicContact CG2-CG 3.85Å |
| 622 | V | 96.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.1 | -175.6 | 174.1 | 0 | 0 | 0 | 0 | 109.2 | I604 I607 I656 M660 I678 Y679 I680 S681 | I604-V622 HydrophobicContact CB-CG1 4.34Å; I604-V622 HydrophobicContact CD1-CG1 4.1Å; I604-V622 HydrophobicContact CD1-CG2 4.35Å; I604-V622 HydrophobicContact CG1-CG1 3.72Å; I604-V622 HydrophobicContact CG2-CG1 4.1Å; I607-V622 HydrophobicContact CD1-CG2 4.19Å; I607-V622 HydrophobicContact CG1-CG2 4.21Å; V622-I656 HydrophobicContact CG1-CG2 4.32Å; V622-M660 HydrophobicContact CG2-SD 4.24Å; V622-I678 HydrophobicContact CG2-CB 4.32Å; V622-I678 HydrophobicContact CG2-CG2 4.09Å; V622-Y679 PolarHBondContact N-O 3.5Å; V622-I680 CarbonylContact O-C 3.21Å; V622-I680 WeakPolarHBondContact O-CA 3.4Å; V622-S681 PolarHBondContact O-N 3.25Å |
| 623 | V | 94.1 | Very high | 86.2 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.2 | 165.7 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | S605 Q606 P684 F685 | S605-V623 PolarHBondContact N-O 3.39Å; Q606-V623 HydrophobicContact CB-CB 3.9Å; Q606-V623 HydrophobicContact CB-CG2 3.97Å; Q606-V623 HydrophobicContact CG-CB 4.45Å; Q606-V623 PolarHBondContact N-O 3.3Å; Q606-V623 PolarHBondContact O-N 3.46Å; V623-P684 HydrophobicContact CG1-CB 4.06Å; V623-F685 HydrophobicContact CG2-CD1 4.02Å; V623-F685 HydrophobicContact CG2-CD2 4.48Å; V623-F685 HydrophobicContact CG2-CE1 3.76Å; V623-F685 HydrophobicContact CG2-CE2 4.27Å; V623-F685 HydrophobicContact CG2-CG 4.36Å; V623-F685 HydrophobicContact CG2-CZ 3.9Å |
| 624 | P | 92.1 | Very high | 86.8 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.071 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 147 | -173.7 | 30.1 | -33.4 | 0 | 0 | 0 | 112 | F603 M626 L629 L646 I680 S681 | F603-P624 CarbonylContact O-C 3.43Å; F603-P624 VanDerWaalsContact O-CA 3.29Å; F603-P624 WeakPolarHBondContact O-CA 3.38Å; P624-M626 HydrophobicContact CB-SD 4.27Å; P624-M626 HydrophobicContact CG-CG 4.35Å; P624-M626 HydrophobicContact CG-SD 3.79Å; P624-M626 PolarHBondContact O-N 2.92Å; P624-M626 VanDerWaalsContact O-N 3.14Å; P624-L629 HydrophobicContact CB-CD2 3.71Å; P624-L646 HydrophobicContact CB-CD1 4.47Å; P624-L646 HydrophobicContact CG-CD1 3.87Å; P624-I680 HydrophobicContact CB-CG2 4.28Å; P624-I680 HydrophobicContact CG-CG2 3.79Å; P624-S681 WeakPolarHBondContact CD-O 3.45Å |
| 625 | N | 89 | Confident | 87.4 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | trans | -77.5 | 92 | 163.2 | -173.6 | -26.6 | 0 | 0 | 0 | 108.8 | F603 E627 F628 L629 | F603-N625 PolarHBondContact O-N 2.82Å; N625-E627 VanDerWaalsContact C-N 3.25Å; N625-E627 PolarHBondContact O-N 3.28Å; N625-E627 PolarHBondContact OD1-N 2.66Å; N625-F628 WeakPolarHBondContact ND2-CD2 3.34Å; N625-F628 PolarHBondContact O-N 3.44Å; N625-F628 PolarHBondContact OD1-N 3.21Å; N625-L629 VanDerWaalsContact O-CB 3.24Å; N625-L629 WeakPolarHBondContact O-CB 3.42Å; N625-L629 PolarHBondContact O-N 2.76Å | ||
| 626 | M | 85.6 | Confident | 87.5 | Confident | 91 Ų | 91 | 44.4 Ų | 44.4 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62 | -29.5 | -173.2 | -71.4 | -60.1 | -69.7 | 0 | 0 | 113.9 | P624 S630 L646 | P624-M626 HydrophobicContact CB-SD 4.27Å; P624-M626 HydrophobicContact CG-CG 4.35Å; P624-M626 HydrophobicContact CG-SD 3.79Å; P624-M626 PolarHBondContact O-N 2.92Å; P624-M626 VanDerWaalsContact O-N 3.14Å; M626-S630 WeakPolarHBondContact O-CB 3.4Å; M626-S630 PolarHBondContact O-N 3.3Å; M626-S630 PolarHBondContact O-OG 2.89Å; M626-L646 HydrophobicContact CE-CD1 4.4Å; M626-L646 HydrophobicContact SD-CD1 3.78Å |
| 627 | E | 82.5 | Confident | 87.5 | Confident | 133 Ų | 133 | 44.4 Ų | 44.4 | 62% | 0.621 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.3 | -49.1 | 179.1 | -172.9 | 177.1 | 177.5 | 0 | 0 | 110.8 | N625 | N625-E627 VanDerWaalsContact C-N 3.25Å; N625-E627 PolarHBondContact O-N 3.28Å; N625-E627 PolarHBondContact OD1-N 2.66Å |
| 628 | F | 82.2 | Confident | 87.1 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 21% | 0.211 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.6 | -42.3 | 178.1 | -81.7 | -89.6 | 0 | 0 | 0 | 113.1 | L399 K602 N625 K631 H632 | L399-F628 HydrophobicContact CD1-CE2 3.77Å; L399-F628 HydrophobicContact CD1-CZ 3.75Å; L399-F628 HydrophobicContact CD2-CD1 4.26Å; L399-F628 HydrophobicContact CD2-CE1 3.34Å; L399-F628 HydrophobicContact CD2-CE2 3.83Å; L399-F628 HydrophobicContact CD2-CZ 3.14Å; L399-F628 HydrophobicContact CG-CE1 4.06Å; L399-F628 HydrophobicContact CG-CE2 3.93Å; L399-F628 HydrophobicContact CG-CZ 3.35Å; K602-F628 WeakPolarHBondContact O-CB 3.22Å; N625-F628 WeakPolarHBondContact ND2-CD2 3.34Å; N625-F628 PolarHBondContact O-N 3.44Å; N625-F628 PolarHBondContact OD1-N 3.21Å; F628-K631 PolarHBondContact O-N 3.12Å; F628-H632 WeakPolarHBondContact O-CB 3.25Å; F628-H632 PolarHBondContact O-N 2.87Å |
| 629 | L | 85.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -50 | -177.9 | -178.2 | 62.9 | 0 | 0 | 0 | 110.4 | F603 P624 N625 K631 H632 L633 L646 V652 L655 I656 | F603-L629 HydrophobicContact CD1-CB 4.49Å; F603-L629 HydrophobicContact CD1-CD1 3.9Å; F603-L629 HydrophobicContact CE1-CD1 4.43Å; P624-L629 HydrophobicContact CB-CD2 3.71Å; N625-L629 VanDerWaalsContact O-CB 3.24Å; N625-L629 WeakPolarHBondContact O-CB 3.42Å; N625-L629 PolarHBondContact O-N 2.76Å; L629-K631 VanDerWaalsContact C-N 3.29Å; L629-K631 PolarHBondContact O-N 2.82Å; L629-H632 PolarHBondContact O-N 3.23Å; L629-H632 VanDerWaalsContact O-N 3.16Å; L629-L633 HydrophobicContact CD1-CD1 4.14Å; L629-L633 HydrophobicContact CD1-CD2 4.14Å; L629-L633 HydrophobicContact CD1-CG 3.98Å; L629-L633 HydrophobicContact CG-CD1 3.92Å; L629-L633 HydrophobicContact CG-CG 4.15Å; L629-L633 VanDerWaalsContact O-CG 3.26Å; L629-L633 WeakPolarHBondContact O-CG 3.34Å; L629-L633 PolarHBondContact O-N 3.23Å; L629-L646 HydrophobicContact CD2-CD1 4Å; L629-V652 HydrophobicContact CD1-CG1 4.48Å; L629-V652 HydrophobicContact CD2-CG1 4.26Å; L629-L655 HydrophobicContact CD1-CD2 4.2Å; L629-I656 HydrophobicContact CD2-CD1 4.36Å |
| 630 | S | 84.7 | Confident | 85.3 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | -177.5 | -52.8 | 0 | 0 | 0 | 0 | 112.2 | M626 T634 | M626-S630 WeakPolarHBondContact O-CB 3.4Å; M626-S630 PolarHBondContact O-N 3.3Å; M626-S630 PolarHBondContact O-OG 2.89Å; S630-T634 WeakPolarHBondContact O-CB 3.48Å; S630-T634 PolarHBondContact O-N 3.48Å; S630-T634 VanDerWaalsContact O-N 3.07Å; S630-T634 PolarHBondContact O-OG1 3.36Å |
| 631 | K | 82.1 | Confident | 84.3 | Confident | 115 Ų | 115 | 67.4 Ų | 67.4 | 50% | 0.5 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 175.1 | -174.4 | 178.6 | 177.9 | -177.9 | 0 | 111.3 | F628 L629 L633 T634 E635 | F628-K631 PolarHBondContact O-N 3.12Å; L629-K631 VanDerWaalsContact C-N 3.29Å; L629-K631 PolarHBondContact O-N 2.82Å; K631-L633 PolarHBondContact O-N 3.13Å; K631-T634 PolarHBondContact O-N 3.37Å; K631-E635 VanDerWaalsContact CE-CD 3.41Å; K631-E635 WeakPolarHBondContact CE-OE1 3.2Å; K631-E635 WeakPolarHBondContact CE-OE2 3.46Å; K631-E635 HydrophobicContact CG-CG 4.31Å; K631-E635 WeakPolarHBondContact CG-OE1 3.38Å; K631-E635 WeakPolarHBondContact CG-OE2 3.41Å; K631-E635 WeakPolarHBondContact O-CB 3.46Å; K631-E635 WeakPolarHBondContact O-CG 3.44Å; K631-E635 PolarHBondContact O-N 2.97Å |
| 632 | H | 82.4 | Confident | 83.2 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 179.9 | -169.8 | 81.2 | 0 | 0 | 0 | 112.7 | F603 F628 L629 T634 E636 L637 | F603-H632 HydrophobicContact CE1-CB 3.82Å; F603-H632 AromaticContact CE1-CD2 3.77Å; F603-H632 AromaticContact CE1-CG 3.7Å; F603-H632 AromaticContact CZ-CD2 3.72Å; F603-H632 AromaticContact CZ-CG 3.91Å; F603-H632 AromaticContact CZ-NE2 3.89Å; F628-H632 WeakPolarHBondContact O-CB 3.25Å; F628-H632 PolarHBondContact O-N 2.87Å; L629-H632 PolarHBondContact O-N 3.23Å; L629-H632 VanDerWaalsContact O-N 3.16Å; H632-T634 VanDerWaalsContact C-N 3.3Å; H632-T634 PolarHBondContact O-N 3.18Å; H632-E636 WeakPolarHBondContact O-CB 3.46Å; H632-E636 PolarHBondContact O-N 3.24Å; H632-L637 PolarHBondContact O-N 3.48Å |
| 633 | L | 85.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.1 | -65.4 | -178.4 | 0 | 0 | 0 | 111.9 | L629 K631 L637 N638 M639 I642 V652 L655 | L629-L633 HydrophobicContact CD1-CD1 4.14Å; L629-L633 HydrophobicContact CD1-CD2 4.14Å; L629-L633 HydrophobicContact CD1-CG 3.98Å; L629-L633 HydrophobicContact CG-CD1 3.92Å; L629-L633 HydrophobicContact CG-CG 4.15Å; L629-L633 VanDerWaalsContact O-CG 3.26Å; L629-L633 WeakPolarHBondContact O-CG 3.34Å; L629-L633 PolarHBondContact O-N 3.23Å; K631-L633 PolarHBondContact O-N 3.13Å; L633-L637 HydrophobicContact CD2-CD1 3.81Å; L633-L637 CarbonylContact O-C 3.58Å; L633-L637 WeakPolarHBondContact O-CB 3.25Å; L633-L637 PolarHBondContact O-N 3.44Å; L633-N638 PolarHBondContact O-N 3.24Å; L633-M639 HydrophobicContact CB-CB 4.42Å; L633-M639 HydrophobicContact CD2-CE 3.8Å; L633-M639 PolarHBondContact O-N 3.07Å; L633-I642 HydrophobicContact CB-CD1 4.33Å; L633-I642 HydrophobicContact CB-CG1 4.4Å; L633-I642 HydrophobicContact CD1-CD1 4.33Å; L633-I642 HydrophobicContact CD1-CG1 4.27Å; L633-I642 HydrophobicContact CD1-CG2 4.03Å; L633-V652 HydrophobicContact CD1-CG2 3.88Å; L633-V652 HydrophobicContact CD2-CG2 3.94Å; L633-L655 HydrophobicContact CD2-CD2 3.93Å |
| 634 | T | 82.9 | Confident | 81.2 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -75.7 | -47.6 | -179.4 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | S630 K631 H632 N638 | S630-T634 WeakPolarHBondContact O-CB 3.48Å; S630-T634 PolarHBondContact O-N 3.48Å; S630-T634 VanDerWaalsContact O-N 3.07Å; S630-T634 PolarHBondContact O-OG1 3.36Å; K631-T634 PolarHBondContact O-N 3.37Å; H632-T634 VanDerWaalsContact C-N 3.3Å; H632-T634 PolarHBondContact O-N 3.18Å; T634-N638 WeakPolarHBondContact O-CA 3.47Å; T634-N638 PolarHBondContact O-N 3.24Å |
| 635 | E | 82.4 | Confident | 80.8 | Confident | 119 Ų | 119 | 79.9 Ų | 79.9 | 56% | 0.556 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -80.8 | -41.2 | -172.2 | -67.7 | 177.5 | 177.6 | 0 | 0 | 113.1 | K631 | K631-E635 VanDerWaalsContact CE-CD 3.41Å; K631-E635 WeakPolarHBondContact CE-OE1 3.2Å; K631-E635 WeakPolarHBondContact CE-OE2 3.46Å; K631-E635 HydrophobicContact CG-CG 4.31Å; K631-E635 WeakPolarHBondContact CG-OE1 3.38Å; K631-E635 WeakPolarHBondContact CG-OE2 3.41Å; K631-E635 WeakPolarHBondContact O-CB 3.46Å; K631-E635 WeakPolarHBondContact O-CG 3.44Å; K631-E635 PolarHBondContact O-N 2.97Å |
| 636 | E | 80.2 | Confident | 80.6 | Confident | 130 Ų | 130 | 78.8 Ų | 78.8 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -35.6 | -172.2 | -61.6 | -69.9 | 164.2 | 0 | 0 | 112.4 | H632 | H632-E636 WeakPolarHBondContact O-CB 3.46Å; H632-E636 PolarHBondContact O-N 3.24Å |
| 637 | L | 78.5 | Confident | 80.7 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 42% | 0.419 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -101.1 | 0.6 | -179.7 | -65.1 | -179.8 | 0 | 0 | 0 | 113.9 | H632 L633 M639 L655 | H632-L637 PolarHBondContact O-N 3.48Å; L633-L637 HydrophobicContact CD2-CD1 3.81Å; L633-L637 CarbonylContact O-C 3.58Å; L633-L637 WeakPolarHBondContact O-CB 3.25Å; L633-L637 PolarHBondContact O-N 3.44Å; L637-M639 HydrophobicContact CB-CE 3.87Å; L637-M639 HydrophobicContact CD1-CE 3.69Å; L637-M639 HydrophobicContact CG-CE 4.44Å; L637-M639 PolarHBondContact O-N 2.96Å; L637-M639 VanDerWaalsContact O-N 3.1Å; L637-L655 HydrophobicContact CD1-CD2 4.23Å |
| 638 | N | 79 | Confident | 80.7 | Confident | 133 Ų | 133 | 73 Ų | 73 | 71% | 0.711 | 39% | 0.394 | S | S | * | . | trans | 52.2 | 27.8 | -178.3 | -68 | -57.8 | 0 | 0 | 0 | 114.2 | L633 T634 Q640 | L633-N638 PolarHBondContact O-N 3.24Å; T634-N638 WeakPolarHBondContact O-CA 3.47Å; T634-N638 PolarHBondContact O-N 3.24Å; N638-Q640 PolarHBondContact O-N 2.72Å | ||
| 639 | M | 77.6 | Confident | 80.9 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | trans | -83.1 | 94.9 | 175.1 | -94.7 | -174.4 | -85.9 | 0 | 0 | 110.1 | L633 L637 A651 V652 | L633-M639 HydrophobicContact CB-CB 4.42Å; L633-M639 HydrophobicContact CD2-CE 3.8Å; L633-M639 PolarHBondContact O-N 3.07Å; L637-M639 HydrophobicContact CB-CE 3.87Å; L637-M639 HydrophobicContact CD1-CE 3.69Å; L637-M639 HydrophobicContact CG-CE 4.44Å; L637-M639 PolarHBondContact O-N 2.96Å; L637-M639 VanDerWaalsContact O-N 3.1Å; M639-A651 HydrophobicContact CE-CB 4.43Å; M639-V652 HydrophobicContact CE-CG2 4.33Å | ||
| 640 | Q | 73.6 | Confident | 81 | Confident | 175 Ų | 175 | 78.2 Ų | 78.2 | 82% | 0.818 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -72.9 | -33.7 | 176.9 | -67.2 | -171.7 | -5.7 | 0 | 0 | 113.2 | N638 | N638-Q640 PolarHBondContact O-N 2.72Š|
| 641 | N | 76.6 | Confident | 81.1 | Confident | 152 Ų | 152 | 79.3 Ų | 79.3 | 81% | 0.813 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -105.6 | 85.8 | 178.5 | -72.9 | -23.8 | 0 | 0 | 0 | 109.8 | P643 | N641-P643 WeakPolarHBondContact O-CD 3.27Š|
| 642 | I | 75.1 | Confident | 81.5 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 26% | 0.256 | 41% | 0.408 | S | S | . | . | trans | -65.8 | 122 | 174.6 | -58.2 | 173.3 | 0 | 0 | 0 | 108.2 | L633 L646 | L633-I642 HydrophobicContact CB-CD1 4.33Å; L633-I642 HydrophobicContact CB-CG1 4.4Å; L633-I642 HydrophobicContact CD1-CD1 4.33Å; L633-I642 HydrophobicContact CD1-CG1 4.27Å; L633-I642 HydrophobicContact CD1-CG2 4.03Å; I642-L646 HydrophobicContact CG2-CD2 3.65Å | ||
| 643 | P | 71.8 | Confident | 82 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 27% | 0.266 | 40% | 0.404 | S | S | . | . | trans | -58 | 139.2 | 178.9 | -24.7 | 34.7 | 0 | 0 | 0 | 111.7 | N641 D645 | N641-P643 WeakPolarHBondContact O-CD 3.27Å; P643-D645 VanDerWaalsContact C-N 3.28Å; P643-D645 PolarHBondContact O-N 3.2Å | ||
| 644 | A | 76.5 | Confident | 82.3 | Confident | 107 Ų | 107 | 79.5 Ų | 79.5 | 88% | 0.884 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -62.5 | -37.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 645 | D | 83.4 | Confident | 82.8 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -97.6 | 101.6 | 167.8 | 177.6 | 16.5 | 0 | 0 | 0 | 110 | P643 N647 S648 | P643-D645 VanDerWaalsContact C-N 3.28Å; P643-D645 PolarHBondContact O-N 3.2Å; D645-N647 PolarHBondContact O-N 3.15Å; D645-N647 VanDerWaalsContact OD1-CB 3.32Å; D645-N647 WeakPolarHBondContact OD1-CB 3.2Å; D645-N647 PolarHBondContact OD1-N 3.21Å; D645-N647 PolarHBondContact OD1-ND2 2.7Å; D645-N647 VanDerWaalsContact OD1-ND2 3.14Å; D645-S648 WeakPolarHBondContact O-CB 3.37Å; D645-S648 PolarHBondContact O-N 3.49Å; D645-S648 VanDerWaalsContact O-N 3.15Å; D645-S648 PolarHBondContact O-OG 3.41Å |
| 646 | L | 84.9 | Confident | 83.4 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -63.9 | -22.2 | 179.4 | -63.6 | 174.9 | 0 | 0 | 0 | 113 | P624 M626 L629 I642 S648 S649 V652 I680 | P624-L646 HydrophobicContact CB-CD1 4.47Å; P624-L646 HydrophobicContact CG-CD1 3.87Å; M626-L646 HydrophobicContact CE-CD1 4.4Å; M626-L646 HydrophobicContact SD-CD1 3.78Å; L629-L646 HydrophobicContact CD2-CD1 4Å; I642-L646 HydrophobicContact CG2-CD2 3.65Å; L646-S648 PolarHBondContact O-N 3.02Å; L646-S649 PolarHBondContact O-N 2.93Å; L646-V652 HydrophobicContact CD2-CG1 4.47Å; L646-I680 HydrophobicContact CB-CB 4.28Å; L646-I680 HydrophobicContact CB-CD1 4.14Å; L646-I680 HydrophobicContact CB-CG2 3.87Å; L646-I680 HydrophobicContact CD1-CG2 3.93Å |
| 647 | N | 86.3 | Confident | 84.1 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -68.9 | -22.9 | 176.5 | -67.2 | -78.9 | 0 | 0 | 0 | 113.3 | D645 S649 K653 Y679 I680 | D645-N647 PolarHBondContact O-N 3.15Å; D645-N647 VanDerWaalsContact OD1-CB 3.32Å; D645-N647 WeakPolarHBondContact OD1-CB 3.2Å; D645-N647 PolarHBondContact OD1-N 3.21Å; D645-N647 PolarHBondContact OD1-ND2 2.7Å; D645-N647 VanDerWaalsContact OD1-ND2 3.14Å; N647-S649 PolarHBondContact O-N 2.97Å; N647-K653 WeakPolarHBondContact OD1-CE 3.49Å; N647-Y679 HydrophobicContact CB-CE2 4.46Å; N647-Y679 VanDerWaalsContact CG-CE2 3.5Å; N647-Y679 VanDerWaalsContact ND2-CE2 3.32Å; N647-Y679 WeakPolarHBondContact ND2-CE2 3.27Å; N647-Y679 WeakPolarHBondContact OD1-CD2 3.44Å; N647-I680 PolarHBondContact ND2-O 3.42Å; N647-I680 PolarHBondContact OD1-N 3.38Å |
| 648 | S | 84.2 | Confident | 84.9 | Confident | 80 Ų | 80 | 67.5 Ų | 67.5 | 56% | 0.559 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -71.5 | -14.3 | 177.5 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | D645 L646 | D645-S648 WeakPolarHBondContact O-CB 3.37Å; D645-S648 PolarHBondContact O-N 3.49Å; D645-S648 VanDerWaalsContact O-N 3.15Å; D645-S648 PolarHBondContact O-OG 3.41Å; L646-S648 PolarHBondContact O-N 3.02Å |
| 649 | S | 86.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | trans | -101.9 | 101.4 | 179.8 | -175 | 0 | 0 | 0 | 0 | 111.7 | L646 N647 A651 V652 K653 | L646-S649 PolarHBondContact O-N 2.93Å; N647-S649 PolarHBondContact O-N 2.97Å; S649-A651 PolarHBondContact O-N 3.3Å; S649-V652 PolarHBondContact O-N 3.12Å; S649-V652 VanDerWaalsContact O-N 3.1Å; S649-V652 WeakPolarHBondContact OG-CG2 3.46Å; S649-V652 PolarHBondContact OG-N 3.07Å; S649-K653 PolarHBondContact O-N 3.44Å | ||
| 650 | E | 86.8 | Confident | 86.5 | Confident | 141 Ų | 141 | 60.6 Ų | 60.6 | 66% | 0.659 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -55.2 | -33.1 | 170.9 | -71.4 | -59.1 | 134 | 0 | 0 | 112.3 | K654 | E650-K654 WeakPolarHBondContact O-CB 3.39Å; E650-K654 PolarHBondContact O-N 3.44Å |
| 651 | A | 87.3 | Confident | 87.5 | Confident | 55 Ų | 55 | 54 Ų | 54 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M639 S649 L655 | M639-A651 HydrophobicContact CE-CB 4.43Å; S649-A651 PolarHBondContact O-N 3.3Å; A651-L655 WeakPolarHBondContact O-CB 3.43Å; A651-L655 PolarHBondContact O-N 2.85Å |
| 652 | V | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.8 | -45 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | L629 L633 M639 L646 S649 K654 L655 I656 I680 | L629-V652 HydrophobicContact CD1-CG1 4.48Å; L629-V652 HydrophobicContact CD2-CG1 4.26Å; L633-V652 HydrophobicContact CD1-CG2 3.88Å; L633-V652 HydrophobicContact CD2-CG2 3.94Å; M639-V652 HydrophobicContact CE-CG2 4.33Å; L646-V652 HydrophobicContact CD2-CG1 4.47Å; S649-V652 PolarHBondContact O-N 3.12Å; S649-V652 VanDerWaalsContact O-N 3.1Å; S649-V652 WeakPolarHBondContact OG-CG2 3.46Å; S649-V652 PolarHBondContact OG-N 3.07Å; V652-K654 PolarHBondContact O-N 3.23Å; V652-L655 WeakPolarHBondContact O-CB 3.32Å; V652-L655 PolarHBondContact O-N 2.87Å; V652-I656 HydrophobicContact CG1-CD1 4.2Å; V652-I656 PolarHBondContact O-N 3.31Å; V652-I656 VanDerWaalsContact O-N 3.16Å; V652-I680 HydrophobicContact CG1-CD1 3.86Å |
| 653 | K | 92.7 | Very high | 88.9 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 175 | -80.3 | -169.9 | 169.2 | -150.1 | 0 | 111.9 | N647 S649 L655 I656 L657 I678 I680 | N647-K653 WeakPolarHBondContact OD1-CE 3.49Å; S649-K653 PolarHBondContact O-N 3.44Å; K653-L655 VanDerWaalsContact C-N 3.33Å; K653-L655 PolarHBondContact O-N 3.3Å; K653-I656 PolarHBondContact O-N 2.84Å; K653-L657 VanDerWaalsContact O-CB 3.31Å; K653-L657 WeakPolarHBondContact O-CB 3.38Å; K653-L657 PolarHBondContact O-N 3.4Å; K653-I678 VanDerWaalsContact CE-O 3.28Å; K653-I678 WeakPolarHBondContact CE-O 3.46Å; K653-I678 PolarHBondContact NZ-O 3.45Å; K653-I680 HydrophobicContact CG-CD1 3.74Å; K653-I680 HydrophobicContact CG-CG1 4.26Å |
| 654 | K | 92.8 | Very high | 89.6 | Confident | 135 Ų | 135 | 50.6 Ų | 50.6 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.3 | -37 | -179.4 | -170.1 | 172.6 | -176.1 | 175.6 | 0 | 112.4 | E650 V652 N658 | E650-K654 WeakPolarHBondContact O-CB 3.39Å; E650-K654 PolarHBondContact O-N 3.44Å; V652-K654 PolarHBondContact O-N 3.23Å; K654-N658 VanDerWaalsContact O-CB 3.23Å; K654-N658 WeakPolarHBondContact O-CB 3.46Å; K654-N658 PolarHBondContact O-N 3.41Å; K654-N658 PolarHBondContact O-ND2 2.92Å |
| 655 | L | 92.8 | Very high | 90.2 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -53.5 | 174 | 173.9 | 69.1 | 0 | 0 | 0 | 111.1 | F603 L629 L633 L637 A651 V652 K653 D659 | F603-L655 HydrophobicContact CE1-CD2 4.34Å; F603-L655 HydrophobicContact CE2-CD1 4.39Å; F603-L655 HydrophobicContact CE2-CG 4.33Å; F603-L655 HydrophobicContact CZ-CD1 4.31Å; F603-L655 HydrophobicContact CZ-CD2 4.19Å; F603-L655 HydrophobicContact CZ-CG 4.33Å; L629-L655 HydrophobicContact CD1-CD2 4.2Å; L633-L655 HydrophobicContact CD2-CD2 3.93Å; L637-L655 HydrophobicContact CD1-CD2 4.23Å; A651-L655 WeakPolarHBondContact O-CB 3.43Å; A651-L655 PolarHBondContact O-N 2.85Å; V652-L655 WeakPolarHBondContact O-CB 3.32Å; V652-L655 PolarHBondContact O-N 2.87Å; K653-L655 VanDerWaalsContact C-N 3.33Å; K653-L655 PolarHBondContact O-N 3.3Å; L655-D659 PolarHBondContact O-N 2.65Å; L655-D659 VanDerWaalsContact O-N 3.14Å |
| 656 | I | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | -178.1 | -62.8 | 172.6 | 0 | 0 | 0 | 110.5 | F603 I604 V622 L629 V652 K653 N658 D659 M660 I678 I680 | F603-I656 HydrophobicContact CB-CG1 4.19Å; I604-I656 HydrophobicContact CD1-CG2 4.15Å; I604-I656 HydrophobicContact CG1-CG2 4.18Å; V622-I656 HydrophobicContact CG1-CG2 4.32Å; L629-I656 HydrophobicContact CD2-CD1 4.36Å; V652-I656 HydrophobicContact CG1-CD1 4.2Å; V652-I656 PolarHBondContact O-N 3.31Å; V652-I656 VanDerWaalsContact O-N 3.16Å; K653-I656 PolarHBondContact O-N 2.84Å; I656-N658 PolarHBondContact O-N 3.22Å; I656-D659 PolarHBondContact O-N 2.9Å; I656-M660 HydrophobicContact CG2-SD 4.14Å; I656-M660 WeakPolarHBondContact O-CG 2.9Å; I656-M660 PolarHBondContact O-N 2.83Å; I656-I678 HydrophobicContact CB-CD1 3.73Å; I656-I678 HydrophobicContact CG2-CD1 3.63Å; I656-I680 HydrophobicContact CD1-CD1 3.86Å; I656-I680 HydrophobicContact CD1-CG1 4.3Å |
| 657 | L | 95.4 | Very high | 90 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | -179.4 | -173.5 | 68 | 0 | 0 | 0 | 112.4 | K653 M660 H661 V675 I678 | K653-L657 VanDerWaalsContact O-CB 3.31Å; K653-L657 WeakPolarHBondContact O-CB 3.38Å; K653-L657 PolarHBondContact O-N 3.4Å; L657-M660 WeakPolarHBondContact O-CB 3.31Å; L657-M660 PolarHBondContact O-N 3.13Å; L657-H661 PolarHBondContact O-N 2.89Å; L657-V675 HydrophobicContact CD1-CG1 4.32Å; L657-I678 HydrophobicContact CB-CD1 4.26Å; L657-I678 HydrophobicContact CD1-CG2 4.01Å |
| 658 | N | 95.4 | Very high | 89.6 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 40% | 0.401 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 176.2 | -75 | -12.8 | 0 | 0 | 0 | 111.6 | K654 I656 M660 H661 E662 | K654-N658 VanDerWaalsContact O-CB 3.23Å; K654-N658 WeakPolarHBondContact O-CB 3.46Å; K654-N658 PolarHBondContact O-N 3.41Å; K654-N658 PolarHBondContact O-ND2 2.92Å; I656-N658 PolarHBondContact O-N 3.22Å; N658-M660 VanDerWaalsContact C-N 3.32Å; N658-M660 PolarHBondContact O-N 3.03Å; N658-H661 PolarHBondContact O-N 3.34Å; N658-E662 WeakPolarHBondContact O-CG 3.39Å; N658-E662 PolarHBondContact O-N 2.61Å |
| 659 | D | 93.3 | Very high | 89.4 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 17% | 0.171 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 175.8 | -174.9 | 84.5 | 0 | 0 | 0 | 111 | S601 F603 L655 I656 H661 E662 L663 | S601-D659 WeakPolarHBondContact CB-OD2 3.02Å; S601-D659 PolarHBondContact OG-OD2 2.95Å; F603-D659 HydrophobicContact CD2-CB 4.04Å; F603-D659 HydrophobicContact CE2-CB 4.12Å; L655-D659 PolarHBondContact O-N 2.65Å; L655-D659 VanDerWaalsContact O-N 3.14Å; I656-D659 PolarHBondContact O-N 2.9Å; D659-H661 PolarHBondContact O-N 2.84Å; D659-E662 PolarHBondContact O-N 2.95Å; D659-L663 WeakPolarHBondContact O-CG 3.34Å; D659-L663 PolarHBondContact O-N 2.9Å |
| 660 | M | 95.7 | Very high | 89 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 172.6 | -70.5 | 173.5 | 63.6 | 0 | 0 | 112.6 | Y598 I604 I607 V622 I656 L657 N658 L663 G664 V675 I678 | Y598-M660 HydrophobicContact CD1-CB 3.8Å; Y598-M660 HydrophobicContact CD1-CE 3.95Å; Y598-M660 HydrophobicContact CD1-CG 4.01Å; Y598-M660 HydrophobicContact CD2-CE 3.77Å; Y598-M660 HydrophobicContact CE1-CB 3.97Å; Y598-M660 HydrophobicContact CE1-CE 4.19Å; Y598-M660 WeakPolarHBondContact CE1-O 2.78Å; Y598-M660 HydrophobicContact CE2-CE 4.02Å; Y598-M660 HydrophobicContact CG-CE 3.75Å; Y598-M660 HydrophobicContact CG-CG 4.38Å; I604-M660 HydrophobicContact CD1-CG 3.68Å; I604-M660 HydrophobicContact CD1-SD 3.77Å; I607-M660 HydrophobicContact CD1-CE 3.62Å; I607-M660 HydrophobicContact CD1-SD 4.47Å; V622-M660 HydrophobicContact CG2-SD 4.24Å; I656-M660 HydrophobicContact CG2-SD 4.14Å; I656-M660 WeakPolarHBondContact O-CG 2.9Å; I656-M660 PolarHBondContact O-N 2.83Å; L657-M660 WeakPolarHBondContact O-CB 3.31Å; L657-M660 PolarHBondContact O-N 3.13Å; N658-M660 VanDerWaalsContact C-N 3.32Å; N658-M660 PolarHBondContact O-N 3.03Å; M660-L663 PolarHBondContact O-N 2.75Å; M660-G664 PolarHBondContact O-N 3.48Å; M660-V675 HydrophobicContact CE-CB 4.01Å; M660-V675 HydrophobicContact CE-CG1 4.23Å; M660-V675 HydrophobicContact CE-CG2 4.06Å; M660-I678 HydrophobicContact CE-CG2 4.26Å; M660-I678 HydrophobicContact SD-CG2 3.95Å |
| 661 | H | 95.7 | Very high | 88.9 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 177.8 | -71.5 | 175.6 | 0 | 0 | 0 | 112.6 | L657 N658 D659 G664 K665 V675 | L657-H661 PolarHBondContact O-N 2.89Å; N658-H661 PolarHBondContact O-N 3.34Å; D659-H661 PolarHBondContact O-N 2.84Å; H661-G664 PolarHBondContact O-N 3.4Å; H661-K665 WeakPolarHBondContact O-CB 3.07Å; H661-K665 VanDerWaalsContact O-CG 3.3Å; H661-K665 WeakPolarHBondContact O-CG 3.45Å; H661-K665 PolarHBondContact O-N 2.98Å; H661-V675 PolarHBondContact NE2-O 3.46Å |
| 662 | E | 93.3 | Very high | 88.6 | Confident | 136 Ų | 136 | 57.7 Ų | 57.7 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.7 | -46.8 | 175.3 | -74.5 | -177 | -174.7 | 0 | 0 | 111.3 | N658 D659 K665 K666 | N658-E662 WeakPolarHBondContact O-CG 3.39Å; N658-E662 PolarHBondContact O-N 2.61Å; D659-E662 PolarHBondContact O-N 2.95Å; E662-K665 PolarHBondContact O-N 3.46Å; E662-K666 WeakPolarHBondContact O-CB 3.34Å; E662-K666 PolarHBondContact O-N 2.94Å |
| 663 | L | 88.4 | Confident | 88.4 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 18% | 0.183 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 173.9 | -72.7 | 171.5 | 0 | 0 | 0 | 111.5 | V597 H600 D659 M660 K665 K666 S667 | V597-L663 HydrophobicContact CG1-CB 4.42Å; H600-L663 HydrophobicContact CB-CD1 4.41Å; H600-L663 HydrophobicContact CB-CD2 4.34Å; D659-L663 WeakPolarHBondContact O-CG 3.34Å; D659-L663 PolarHBondContact O-N 2.9Å; M660-L663 PolarHBondContact O-N 2.75Å; L663-K665 PolarHBondContact O-N 2.97Å; L663-K666 PolarHBondContact O-N 3.32Å; L663-S667 WeakPolarHBondContact O-CB 3.17Å; L663-S667 PolarHBondContact O-N 3.3Å; L663-S667 PolarHBondContact O-OG 3.42Å |
| 664 | G | 85.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59 | -47 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M660 H661 K666 S667 G668 L669 | M660-G664 PolarHBondContact O-N 3.48Å; H661-G664 PolarHBondContact O-N 3.4Å; G664-K666 PolarHBondContact O-N 3.18Å; G664-S667 CarbonylContact O-C 3.54Å; G664-S667 PolarHBondContact O-N 3.46Å; G664-G668 PolarHBondContact O-N 3.5Å; G664-G668 VanDerWaalsContact O-N 3.17Å; G664-L669 VanDerWaalsContact O-CB 3.32Å; G664-L669 WeakPolarHBondContact O-CB 3.5Å; G664-L669 WeakPolarHBondContact O-CG 3.36Å; G664-L669 PolarHBondContact O-N 2.94Å |
| 665 | K | 89.2 | Confident | 88.4 | Confident | 141 Ų | 141 | 51.4 Ų | 51.4 | 61% | 0.613 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.1 | -43.5 | 175.5 | -71.8 | 171.5 | -173.1 | 171.1 | 0 | 111.9 | H661 E662 L663 S667 G668 | H661-K665 WeakPolarHBondContact O-CB 3.07Å; H661-K665 VanDerWaalsContact O-CG 3.3Å; H661-K665 WeakPolarHBondContact O-CG 3.45Å; H661-K665 PolarHBondContact O-N 2.98Å; E662-K665 PolarHBondContact O-N 3.46Å; L663-K665 PolarHBondContact O-N 2.97Å; K665-S667 VanDerWaalsContact C-N 3.25Å; K665-S667 PolarHBondContact O-N 2.76Å; K665-G668 PolarHBondContact O-N 2.87Å; K665-G668 VanDerWaalsContact O-N 3.1Å |
| 666 | K | 85.2 | Confident | 88.5 | Confident | 185 Ų | 185 | 53.9 Ų | 53.9 | 80% | 0.804 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.7 | -33 | 179 | -171.8 | -179 | 176.6 | -171.5 | 0 | 112.1 | E662 L663 G664 G668 | E662-K666 WeakPolarHBondContact O-CB 3.34Å; E662-K666 PolarHBondContact O-N 2.94Å; L663-K666 PolarHBondContact O-N 3.32Å; G664-K666 PolarHBondContact O-N 3.18Å; K666-G668 VanDerWaalsContact C-N 3.32Å |
| 667 | S | 78.2 | Confident | 88.6 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.7 | 175.6 | -64.3 | 0 | 0 | 0 | 0 | 114.2 | L663 G664 K665 | L663-S667 WeakPolarHBondContact O-CB 3.17Å; L663-S667 PolarHBondContact O-N 3.3Å; L663-S667 PolarHBondContact O-OG 3.42Å; G664-S667 CarbonylContact O-C 3.54Å; G664-S667 PolarHBondContact O-N 3.46Å; K665-S667 VanDerWaalsContact C-N 3.25Å; K665-S667 PolarHBondContact O-N 2.76Å |
| 668 | G | 77.8 | Confident | 88.6 | Confident | 60 Ų | 60 | 54 Ų | 54 | 62% | 0.619 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 19.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G664 K665 K666 | G664-G668 PolarHBondContact O-N 3.5Å; G664-G668 VanDerWaalsContact O-N 3.17Å; K665-G668 PolarHBondContact O-N 2.87Å; K665-G668 VanDerWaalsContact O-N 3.1Å; K666-G668 VanDerWaalsContact C-N 3.32Å |
| 669 | L | 80.8 | Confident | 88.7 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | trans | -68.9 | 132 | 176.5 | -61.3 | -174.4 | 0 | 0 | 0 | 111.4 | L594 V597 Y598 G664 E673 Q674 | L594-L669 HydrophobicContact CD2-CD1 3.77Å; L594-L669 HydrophobicContact CD2-CD2 3.59Å; L594-L669 HydrophobicContact CD2-CG 4.28Å; V597-L669 HydrophobicContact CB-CD1 4.4Å; V597-L669 HydrophobicContact CG1-CD1 4.14Å; Y598-L669 HydrophobicContact CE1-CD1 4.26Å; G664-L669 VanDerWaalsContact O-CB 3.32Å; G664-L669 WeakPolarHBondContact O-CB 3.5Å; G664-L669 WeakPolarHBondContact O-CG 3.36Å; G664-L669 PolarHBondContact O-N 2.94Å; L669-E673 WeakPolarHBondContact CA-OE2 3.4Å; L669-E673 HydrophobicContact CB-CB 4.13Å; L669-Q674 HydrophobicContact CB-CG 4.34Å; L669-Q674 PolarHBondContact O-NE2 3.36Å | ||
| 670 | C | 79.1 | Confident | 88.8 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | trans | -63.5 | 160.8 | 174.2 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | F672 E673 Q674 | C670-F672 HydrophobicContact CB-CD1 3.69Å; C670-F672 HydrophobicContact CB-CD2 4.46Å; C670-F672 HydrophobicContact CB-CE1 3.3Å; C670-F672 HydrophobicContact CB-CE2 4.15Å; C670-F672 HydrophobicContact CB-CG 4.26Å; C670-F672 HydrophobicContact CB-CZ 3.56Å; C670-F672 PolarHBondContact O-N 2.69Å; C670-E673 HydrophobicContact CB-CG 4.2Å; C670-E673 PolarHBondContact N-OE2 2.81Å; C670-E673 WeakPolarHBondContact O-CB 3.5Å; C670-E673 PolarHBondContact O-N 3.29Å; C670-Q674 PolarHBondContact O-N 3.44Å | ||
| 671 | S | 83.8 | Confident | 88.7 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 60% | 0.601 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.8 | -177.6 | 62 | 0 | 0 | 0 | 0 | 113.7 | K676 | S671-K676 PolarHBondContact O-NZ 3.42Š|
| 672 | F | 80.2 | Confident | 88.3 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 25% | 0.25 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -21 | 176.7 | 61.4 | -99.6 | 0 | 0 | 0 | 113.3 | E587 I589 C670 Q674 | E587-F672 HydrophobicContact CB-CD2 4.03Å; E587-F672 HydrophobicContact CB-CE2 4.06Å; E587-F672 HydrophobicContact CG-CD1 4.47Å; E587-F672 HydrophobicContact CG-CD2 4.16Å; E587-F672 HydrophobicContact CG-CE1 4.49Å; E587-F672 HydrophobicContact CG-CE2 4.19Å; E587-F672 HydrophobicContact CG-CG 4.31Å; E587-F672 HydrophobicContact CG-CZ 4.36Å; I589-F672 HydrophobicContact CD1-CD2 3.84Å; I589-F672 HydrophobicContact CD1-CE2 4.18Å; C670-F672 HydrophobicContact CB-CD1 3.69Å; C670-F672 HydrophobicContact CB-CD2 4.46Å; C670-F672 HydrophobicContact CB-CE1 3.3Å; C670-F672 HydrophobicContact CB-CE2 4.15Å; C670-F672 HydrophobicContact CB-CG 4.26Å; C670-F672 HydrophobicContact CB-CZ 3.56Å; C670-F672 PolarHBondContact O-N 2.69Å; F672-Q674 VanDerWaalsContact C-N 3.29Å |
| 673 | E | 86 | Confident | 88.1 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -11.4 | 172.7 | -68.2 | -178.2 | 114.2 | 0 | 0 | 112.2 | I589 K593 L594 Y598 L618 L669 C670 | I589-E673 HydrophobicContact CD1-CG 4.12Å; K593-E673 IonicContact NZ-OE1 3.63Å; K593-E673 PolarHBondContact NZ-OE1 2.69Å; K593-E673 IonicContact NZ-OE2 3.11Å; L594-E673 HydrophobicContact CD1-CB 4.47Å; L594-E673 WeakPolarHBondContact CD1-O 3.28Å; L594-E673 HydrophobicContact CD2-CB 3.81Å; L594-E673 HydrophobicContact CD2-CG 4.28Å; Y598-E673 PolarHBondContact OH-O 3.28Å; L618-E673 WeakPolarHBondContact CD1-O 3.49Å; L669-E673 WeakPolarHBondContact CA-OE2 3.4Å; L669-E673 HydrophobicContact CB-CB 4.13Å; C670-E673 HydrophobicContact CB-CG 4.2Å; C670-E673 PolarHBondContact N-OE2 2.81Å; C670-E673 WeakPolarHBondContact O-CB 3.5Å; C670-E673 PolarHBondContact O-N 3.29Å |
| 674 | Q | 92.2 | Very high | 88.2 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -87.1 | 126.6 | -179.4 | -69.4 | -175.3 | 47.7 | 0 | 0 | 112.3 | L669 C670 F672 | L669-Q674 HydrophobicContact CB-CG 4.34Å; L669-Q674 PolarHBondContact O-NE2 3.36Å; C670-Q674 PolarHBondContact O-N 3.44Å; F672-Q674 VanDerWaalsContact C-N 3.29Å |
| 675 | V | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 133.7 | 175.2 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | Y598 V609 L618 A620 L657 M660 H661 D677 I678 | Y598-V675 HydrophobicContact CE2-CG2 3.76Å; V609-V675 HydrophobicContact CG1-CG2 4.2Å; V609-V675 HydrophobicContact CG2-CG2 4.1Å; L618-V675 HydrophobicContact CB-CG2 4.25Å; L618-V675 CarbonylContact O-C 3.59Å; L618-V675 WeakPolarHBondContact O-CA 3.25Å; A620-V675 HydrophobicContact CB-CG1 3.8Å; A620-V675 HydrophobicContact CB-CG2 3.96Å; L657-V675 HydrophobicContact CD1-CG1 4.32Å; M660-V675 HydrophobicContact CE-CB 4.01Å; M660-V675 HydrophobicContact CE-CG1 4.23Å; M660-V675 HydrophobicContact CE-CG2 4.06Å; H661-V675 PolarHBondContact NE2-O 3.46Å; V675-D677 WeakPolarHBondContact CG1-O 3.3Å; V675-I678 HydrophobicContact CG1-CG2 3.84Å |
| 676 | K | 94.2 | Very high | 88.3 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 38% | 0.378 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -25.6 | -176.8 | -63.4 | -58.9 | 179.8 | -169.7 | 0 | 114.5 | C617 L618 S671 L718 | C617-K676 HydrophobicContact CB-CB 4.27Å; C617-K676 HydrophobicContact CB-CG 3.59Å; L618-K676 PolarHBondContact O-N 2.92Å; S671-K676 PolarHBondContact O-NZ 3.42Å; K676-L718 HydrophobicContact CB-CD1 3.85Å; K676-L718 HydrophobicContact CB-CD2 3.88Å |
| 677 | D | 95.5 | Very high | 87.8 | Confident | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.15 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.8 | 174.8 | -165.3 | 6.9 | 0 | 0 | 0 | 110.2 | V619 A620 V675 M714 S717 L718 | V619-D677 WeakPolarHBondContact CA-O 3.47Å; V619-D677 HydrophobicContact CG1-CB 4.49Å; A620-D677 PolarHBondContact N-O 2.65Å; V675-D677 WeakPolarHBondContact CG1-O 3.3Å; D677-M714 HydrophobicContact CB-CB 4.25Å; D677-M714 HydrophobicContact CB-CG 4.33Å; D677-M714 HydrophobicContact CB-SD 4.43Å; D677-S717 PolarHBondContact OD2-OG 2.68Å; D677-S717 VanDerWaalsContact OD2-OG 3.11Å; D677-L718 HydrophobicContact CB-CD1 3.83Å; D677-L718 HydrophobicContact CB-CD2 4.28Å; D677-L718 HydrophobicContact CB-CG 4.15Å |
| 678 | I | 96.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.5 | -179.9 | 59.3 | 171.9 | 0 | 0 | 0 | 112.8 | A620 V622 K653 I656 L657 M660 V675 I680 | A620-I678 HydrophobicContact CB-CG2 4.24Å; A620-I678 CarbonylContact O-C 3.49Å; A620-I678 VanDerWaalsContact O-CA 3.23Å; A620-I678 WeakPolarHBondContact O-CA 3.26Å; V622-I678 HydrophobicContact CG2-CB 4.32Å; V622-I678 HydrophobicContact CG2-CG2 4.09Å; K653-I678 VanDerWaalsContact CE-O 3.28Å; K653-I678 WeakPolarHBondContact CE-O 3.46Å; K653-I678 PolarHBondContact NZ-O 3.45Å; I656-I678 HydrophobicContact CB-CD1 3.73Å; I656-I678 HydrophobicContact CG2-CD1 3.63Å; L657-I678 HydrophobicContact CB-CD1 4.26Å; L657-I678 HydrophobicContact CD1-CG2 4.01Å; M660-I678 HydrophobicContact CE-CG2 4.26Å; M660-I678 HydrophobicContact SD-CG2 3.95Å; V675-I678 HydrophobicContact CG1-CG2 3.84Å; I678-I680 HydrophobicContact CD1-CG1 4.43Å |
| 679 | Y | 96.6 | Very high | 88.2 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.1 | 165.3 | 177.5 | -99.2 | 0 | 0 | 0 | 109.2 | A620 V621 V622 N647 S681 F707 Q710 M714 | A620-Y679 PolarHBondContact O-N 3.09Å; V621-Y679 CarbonylContact C-O 3.55Å; V621-Y679 WeakPolarHBondContact CA-O 3.21Å; V621-Y679 HydrophobicContact CG1-CD1 4.03Å; V621-Y679 HydrophobicContact CG2-CD1 4.46Å; V622-Y679 PolarHBondContact N-O 3.5Å; N647-Y679 HydrophobicContact CB-CE2 4.46Å; N647-Y679 VanDerWaalsContact CG-CE2 3.5Å; N647-Y679 VanDerWaalsContact ND2-CE2 3.32Å; N647-Y679 WeakPolarHBondContact ND2-CE2 3.27Å; N647-Y679 WeakPolarHBondContact OD1-CD2 3.44Å; Y679-S681 PolarHBondContact O-N 3.05Å; Y679-F707 HydrophobicContact CD1-CD1 4.2Å; Y679-F707 HydrophobicContact CD1-CE1 4.35Å; Y679-F707 HydrophobicContact CE1-CD1 4.06Å; Y679-F707 AromaticContact CE1-CE1 3.95Å; Y679-F707 HydrophobicContact CE1-CE1 3.95Å; Y679-Q710 HydrophobicContact CD1-CB 4.22Å; Y679-Q710 HydrophobicContact CD1-CG 4Å; Y679-Q710 HydrophobicContact CD2-CB 3.95Å; Y679-Q710 HydrophobicContact CD2-CG 3.66Å; Y679-Q710 HydrophobicContact CE1-CG 3.86Å; Y679-Q710 HydrophobicContact CE2-CB 4.31Å; Y679-Q710 HydrophobicContact CE2-CG 3.5Å; Y679-Q710 VanDerWaalsContact CE2-CG 3.5Å; Y679-Q710 HydrophobicContact CG-CB 3.9Å; Y679-Q710 HydrophobicContact CG-CG 3.91Å; Y679-M714 PolarHBondContact N-SD 2.83Å |
| 680 | I | 96 | Very high | 88.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 102.6 | -179.3 | -53.9 | 172.8 | 0 | 0 | 0 | 108.2 | V622 P624 L646 N647 V652 K653 I656 I678 | V622-I680 CarbonylContact O-C 3.21Å; V622-I680 WeakPolarHBondContact O-CA 3.4Å; P624-I680 HydrophobicContact CB-CG2 4.28Å; P624-I680 HydrophobicContact CG-CG2 3.79Å; L646-I680 HydrophobicContact CB-CB 4.28Å; L646-I680 HydrophobicContact CB-CD1 4.14Å; L646-I680 HydrophobicContact CB-CG2 3.87Å; L646-I680 HydrophobicContact CD1-CG2 3.93Å; N647-I680 PolarHBondContact ND2-O 3.42Å; N647-I680 PolarHBondContact OD1-N 3.38Å; V652-I680 HydrophobicContact CG1-CD1 3.86Å; K653-I680 HydrophobicContact CG-CD1 3.74Å; K653-I680 HydrophobicContact CG-CG1 4.26Å; I656-I680 HydrophobicContact CD1-CD1 3.86Å; I656-I680 HydrophobicContact CD1-CG1 4.3Å; I678-I680 HydrophobicContact CD1-CG1 4.43Å |
| 681 | S | 93.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | trans | -75.6 | 127.7 | 176.7 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | V622 P624 Y679 E683 | V622-S681 PolarHBondContact O-N 3.25Å; P624-S681 WeakPolarHBondContact CD-O 3.45Å; Y679-S681 PolarHBondContact O-N 3.05Å; S681-E683 VanDerWaalsContact C-N 3.26Å; S681-E683 PolarHBondContact OG-N 3.12Å; S681-E683 PolarHBondContact OG-O 3.27Å | ||
| 682 | S | 87.7 | Confident | 88.6 | Confident | 106 Ų | 106 | 42.5 Ų | 42.5 | 74% | 0.741 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -73.5 | -22.3 | 168 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 683 | E | 89.1 | Confident | 88.2 | Confident | 88 Ų | 88 | 39.8 Ų | 39.8 | 41% | 0.411 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -97.2 | 125.7 | 179.5 | -168.4 | -178.7 | 164.9 | 0 | 0 | 110.1 | S681 N689 | S681-E683 VanDerWaalsContact C-N 3.26Å; S681-E683 PolarHBondContact OG-N 3.12Å; S681-E683 PolarHBondContact OG-O 3.27Å; E683-N689 WeakPolarHBondContact OE1-CB 3.26Å; E683-N689 PolarHBondContact OE1-ND2 3.36Å |
| 684 | P | 90.7 | Very high | 87 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -70.3 | 154.8 | 174.7 | 29.6 | -33.9 | 0 | 0 | 0 | 111.6 | V623 T686 N689 | V623-P684 HydrophobicContact CG1-CB 4.06Å; P684-T686 HydrophobicContact CB-CG2 4.29Å; P684-T686 HydrophobicContact CG-CG2 4Å; P684-T686 PolarHBondContact O-N 3.18Å; P684-N689 PolarHBondContact O-ND2 3.07Å |
| 685 | F | 91.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 123.6 | 170 | -46.4 | -29.4 | 0 | 0 | 0 | 108.5 | Q606 F608 V621 V623 L691 L692 L703 F707 | Q606-F685 HydrophobicContact CB-CD2 3.9Å; Q606-F685 HydrophobicContact CB-CE2 4.1Å; Q606-F685 PolarHBondContact NE2-O 2.9Å; F608-F685 HydrophobicContact CB-CE2 3.96Å; F608-F685 HydrophobicContact CB-CZ 4.06Å; V621-F685 HydrophobicContact CB-CZ 4.31Å; V621-F685 HydrophobicContact CG1-CE1 4.05Å; V621-F685 HydrophobicContact CG1-CZ 3.84Å; V623-F685 HydrophobicContact CG2-CD1 4.02Å; V623-F685 HydrophobicContact CG2-CD2 4.48Å; V623-F685 HydrophobicContact CG2-CE1 3.76Å; V623-F685 HydrophobicContact CG2-CE2 4.27Å; V623-F685 HydrophobicContact CG2-CG 4.36Å; V623-F685 HydrophobicContact CG2-CZ 3.9Å; F685-L691 HydrophobicContact CB-CB 4.01Å; F685-L691 HydrophobicContact CD1-CD1 3.81Å; F685-L692 HydrophobicContact CB-CD1 4.39Å; F685-L692 HydrophobicContact CB-CD2 3.79Å; F685-L692 HydrophobicContact CB-CG 3.87Å; F685-L692 WeakPolarHBondContact O-CD1 3.36Å; F685-L703 HydrophobicContact CD1-CD2 3.75Å; F685-L703 HydrophobicContact CD2-CD2 4.22Å; F685-L703 HydrophobicContact CE1-CD2 3.77Å; F685-L703 HydrophobicContact CE2-CD2 4.23Å; F685-L703 HydrophobicContact CG-CD2 4Å; F685-L703 HydrophobicContact CZ-CD2 4.01Å; F685-F707 HydrophobicContact CD1-CE2 4.24Å; F685-F707 HydrophobicContact CD1-CZ 4.48Å; F685-F707 AromaticContact CE1-CE2 3.55Å; F685-F707 HydrophobicContact CE1-CE2 3.55Å; F685-F707 AromaticContact CE1-CZ 3.81Å; F685-F707 HydrophobicContact CE1-CZ 3.81Å; F685-F707 HydrophobicContact CZ-CE2 4.32Å |
| 686 | T | 85.8 | Confident | 84.3 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | trans | -134.6 | 172.4 | -179.8 | 86.3 | 0 | 0 | 0 | 0 | 111.9 | P684 E688 N689 L691 L692 | P684-T686 HydrophobicContact CB-CG2 4.29Å; P684-T686 HydrophobicContact CG-CG2 4Å; P684-T686 PolarHBondContact O-N 3.18Å; T686-E688 WeakPolarHBondContact CB-OE2 3.3Å; T686-E688 PolarHBondContact OG1-N 3.28Å; T686-E688 PolarHBondContact OG1-OE2 2.93Å; T686-N689 WeakPolarHBondContact CA-OD1 3.29Å; T686-N689 PolarHBondContact N-OD1 3.25Å; T686-N689 PolarHBondContact O-OD1 2.95Å; T686-N689 PolarHBondContact OG1-N 3.49Å; T686-N689 PolarHBondContact OG1-OD1 2.89Å; T686-L691 PolarHBondContact O-N 2.87Å; T686-L691 VanDerWaalsContact O-N 3.12Å; T686-L692 PolarHBondContact O-N 3.26Å | ||
| 687 | V | 74 | Confident | 83.2 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 22% | 0.218 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -35.3 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | N690 L692 T693 L696 | V687-N690 WeakPolarHBondContact O-CA 3.31Å; V687-N690 PolarHBondContact O-N 3.31Å; V687-L692 HydrophobicContact CG2-CB 4.3Å; V687-T693 WeakPolarHBondContact CG2-O 3.21Å; V687-L696 HydrophobicContact CG2-CD2 4Å |
| 688 | E | 78.6 | Confident | 82.6 | Confident | 167 Ų | 167 | 45.5 Ų | 45.5 | 78% | 0.78 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -39.9 | -178.7 | -58.4 | 78 | -172.7 | 0 | 0 | 112.9 | T686 N690 | T686-E688 WeakPolarHBondContact CB-OE2 3.3Å; T686-E688 PolarHBondContact OG1-N 3.28Å; T686-E688 PolarHBondContact OG1-OE2 2.93Å; E688-N690 PolarHBondContact O-N 3.03Å |
| 689 | N | 86.7 | Confident | 81.6 | Confident | 37 Ų | 37 | 47 Ų | 47 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 10.7 | 172.8 | 68.2 | 9.1 | 0 | 0 | 0 | 113.4 | E683 P684 T686 L691 | E683-N689 WeakPolarHBondContact OE1-CB 3.26Å; E683-N689 PolarHBondContact OE1-ND2 3.36Å; P684-N689 PolarHBondContact O-ND2 3.07Å; T686-N689 WeakPolarHBondContact CA-OD1 3.29Å; T686-N689 PolarHBondContact N-OD1 3.25Å; T686-N689 PolarHBondContact O-OD1 2.95Å; T686-N689 PolarHBondContact OG1-N 3.49Å; T686-N689 PolarHBondContact OG1-OD1 2.89Å; N689-L691 PolarHBondContact O-N 3.36Å; N689-L691 WeakPolarHBondContact OD1-CB 3.36Å; N689-L691 VanDerWaalsContact OD1-CG 3.31Å; N689-L691 WeakPolarHBondContact OD1-CG 3.44Å; N689-L691 PolarHBondContact OD1-N 3.33Å |
| 690 | N | 84.3 | Confident | 81.2 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 19.8 | 176.2 | -166 | 32.1 | 0 | 0 | 0 | 114.4 | V687 E688 K699 | V687-N690 WeakPolarHBondContact O-CA 3.31Å; V687-N690 PolarHBondContact O-N 3.31Å; E688-N690 PolarHBondContact O-N 3.03Å; N690-K699 PolarHBondContact OD1-NZ 3.44Å |
| 691 | L | 86.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -89.8 | -22.9 | 178.3 | -61.6 | -176.3 | 0 | 0 | 0 | 113 | F685 T686 N689 K699 V702 L703 H706 F707 | F685-L691 HydrophobicContact CB-CB 4.01Å; F685-L691 HydrophobicContact CD1-CD1 3.81Å; T686-L691 PolarHBondContact O-N 2.87Å; T686-L691 VanDerWaalsContact O-N 3.12Å; N689-L691 PolarHBondContact O-N 3.36Å; N689-L691 WeakPolarHBondContact OD1-CB 3.36Å; N689-L691 VanDerWaalsContact OD1-CG 3.31Å; N689-L691 WeakPolarHBondContact OD1-CG 3.44Å; N689-L691 PolarHBondContact OD1-N 3.33Å; L691-K699 PolarHBondContact O-N 2.9Å; L691-V702 HydrophobicContact CD2-CG1 4.12Å; L691-L703 HydrophobicContact CB-CD2 3.99Å; L691-L703 HydrophobicContact CB-CG 4.49Å; L691-L703 HydrophobicContact CD1-CD2 4.14Å; L691-L703 HydrophobicContact CD2-CD2 4.07Å; L691-L703 HydrophobicContact CD2-CG 4.5Å; L691-L703 HydrophobicContact CG-CD2 4.29Å; L691-H706 HydrophobicContact CD2-CB 3.94Å; L691-F707 HydrophobicContact CD1-CE2 4.26Å; L691-F707 HydrophobicContact CD1-CZ 4.49Å |
| 692 | L | 80.6 | Confident | 80.2 | Confident | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -109.7 | 153.4 | 172.2 | -60.3 | -175.8 | 0 | 0 | 0 | 111.9 | F685 T686 V687 L696 K697 K699 | F685-L692 HydrophobicContact CB-CD1 4.39Å; F685-L692 HydrophobicContact CB-CD2 3.79Å; F685-L692 HydrophobicContact CB-CG 3.87Å; F685-L692 WeakPolarHBondContact O-CD1 3.36Å; T686-L692 PolarHBondContact O-N 3.26Å; V687-L692 HydrophobicContact CG2-CB 4.3Å; L692-L696 HydrophobicContact CD1-CD2 4.25Å; L692-K697 CarbonylContact C-O 3.43Å; L692-K697 WeakPolarHBondContact CA-O 3.48Å; L692-K699 VanDerWaalsContact O-CE 3.29Å; L692-K699 WeakPolarHBondContact O-CE 2.96Å |
| 693 | T | 71.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -67.9 | 161.9 | 166 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | T301 V687 T695 L696 K697 K699 | T301-T693 HydrophobicContact CG2-CG2 3.67Å; V687-T693 WeakPolarHBondContact CG2-O 3.21Å; T693-T695 PolarHBondContact O-N 2.96Å; T693-T695 PolarHBondContact OG1-N 3.5Å; T693-T695 PolarHBondContact OG1-OG1 3.1Å; T693-L696 WeakPolarHBondContact O-CA 3.45Å; T693-L696 PolarHBondContact O-N 3.45Å; T693-L696 PolarHBondContact OG1-N 3.1Å; T693-K697 HydrophobicContact CG2-CB 4.13Å; T693-K697 WeakPolarHBondContact CG2-O 3.32Å; T693-K697 PolarHBondContact N-O 2.73Å; T693-K697 WeakPolarHBondContact OG1-CB 3.33Å; T693-K697 PolarHBondContact OG1-N 3.44Å; T693-K697 PolarHBondContact OG1-O 2.9Å; T693-K699 HydrophobicContact CG2-CG 3.86Å | ||
| 694 | P | 61.5 | Low | 80.3 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -28.2 | 168.9 | -29.9 | 34.5 | 0 | 0 | 0 | 115.3 | Y183 T185 L696 | Y183-P694 HydrophobicContact CD2-CB 4Å; Y183-P694 HydrophobicContact CE2-CB 3.38Å; Y183-P694 HydrophobicContact CE2-CG 4.09Å; T185-P694 WeakPolarHBondContact CB-O 3.32Å; T185-P694 VanDerWaalsContact O-CB 3.26Å; T185-P694 WeakPolarHBondContact O-CB 3.24Å; T185-P694 WeakPolarHBondContact O-CG 3.29Å; T185-P694 WeakPolarHBondContact OG1-CA 3.49Å; T185-P694 VanDerWaalsContact OG1-CB 3.24Å; T185-P694 WeakPolarHBondContact OG1-CB 3.49Å; T185-P694 PolarHBondContact OG1-O 2.9Å; P694-L696 VanDerWaalsContact C-N 3.31Å |
| 695 | T | 62.1 | Low | 80.2 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 15.3 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | S299 T693 K697 | S299-T695 PolarHBondContact OG-OG1 2.89Å; S299-T695 VanDerWaalsContact OG-OG1 3.11Å; T693-T695 PolarHBondContact O-N 2.96Å; T693-T695 PolarHBondContact OG1-N 3.5Å; T693-T695 PolarHBondContact OG1-OG1 3.1Å; T695-K697 VanDerWaalsContact C-N 3.26Å; T695-K697 PolarHBondContact O-N 2.79Å |
| 696 | L | 67.1 | Low | 80.3 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 64.9 | 18 | 178.2 | -54.3 | 171 | 0 | 0 | 0 | 115.5 | R388 V687 L692 T693 P694 | R388-L696 VanDerWaalsContact NH1-CD1 3.33Å; V687-L696 HydrophobicContact CG2-CD2 4Å; L692-L696 HydrophobicContact CD1-CD2 4.25Å; T693-L696 WeakPolarHBondContact O-CA 3.45Å; T693-L696 PolarHBondContact O-N 3.45Å; T693-L696 PolarHBondContact OG1-N 3.1Å; P694-L696 VanDerWaalsContact C-N 3.31Å |
| 697 | K | 72.4 | Confident | 80.7 | Confident | 82 Ų | 82 | 52 Ų | 52 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | trans | -84.5 | 146.2 | 173.4 | -58.3 | -169.4 | 175.3 | -169.1 | 0 | 110.6 | L692 T693 T695 K699 | L692-K697 CarbonylContact C-O 3.43Å; L692-K697 WeakPolarHBondContact CA-O 3.48Å; T693-K697 HydrophobicContact CG2-CB 4.13Å; T693-K697 WeakPolarHBondContact CG2-O 3.32Å; T693-K697 PolarHBondContact N-O 2.73Å; T693-K697 WeakPolarHBondContact OG1-CB 3.33Å; T693-K697 PolarHBondContact OG1-N 3.44Å; T693-K697 PolarHBondContact OG1-O 2.9Å; T695-K697 VanDerWaalsContact C-N 3.26Å; T695-K697 PolarHBondContact O-N 2.79Å; K697-K699 PolarHBondContact O-N 2.95Å | ||
| 698 | S | 81.2 | Confident | 81.6 | Confident | 33 Ų | 33 | 53 Ų | 53 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 126.9 | 179.1 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | R700 | S698-R700 VanDerWaalsContact C-N 3.34Å; S698-R700 PolarHBondContact O-N 3.47Å; S698-R700 VanDerWaalsContact O-N 3.08Å |
| 699 | K | 77.6 | Confident | 82.4 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 14% | 0.143 | 27% | 0.272 | C | S | . | . | trans | -82.1 | 78.6 | 170.6 | -68 | -172.6 | -175.5 | -179.6 | 0 | 110 | N690 L691 L692 T693 K697 V702 L703 | N690-K699 PolarHBondContact OD1-NZ 3.44Å; L691-K699 PolarHBondContact O-N 2.9Å; L692-K699 VanDerWaalsContact O-CE 3.29Å; L692-K699 WeakPolarHBondContact O-CE 2.96Å; T693-K699 HydrophobicContact CG2-CG 3.86Å; K697-K699 PolarHBondContact O-N 2.95Å; K699-V702 HydrophobicContact CB-CB 3.92Å; K699-V702 HydrophobicContact CB-CG2 3.89Å; K699-V702 HydrophobicContact CD-CG2 4.14Å; K699-V702 WeakPolarHBondContact O-CA 3.35Å; K699-V702 WeakPolarHBondContact O-CB 3.41Å; K699-V702 PolarHBondContact O-N 2.99Å; K699-L703 PolarHBondContact O-N 2.77Å | ||
| 700 | R | 87.1 | Confident | 82.7 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -49.8 | -43.8 | -172.1 | -53.8 | -179 | 68.9 | 69.9 | 11.6 | 114.6 | P591 E595 F608 V609 S698 V702 L703 R704 | P591-R700 VanDerWaalsContact CG-CZ 3.41Å; P591-R700 VanDerWaalsContact CG-NH2 3.25Å; E595-R700 IonicContact OE1-CZ 3Å; E595-R700 IonicContact OE1-NH1 3.9Å; E595-R700 PolarHBondContact OE1-NH1 3.44Å; E595-R700 IonicContact OE1-NH2 2.76Å; E595-R700 IonicContact OE2-NH1 3.24Å; E595-R700 PolarHBondContact OE2-NH1 3.01Å; F608-R700 HydrophobicContact CE2-CB 3.99Å; F608-R700 HydrophobicContact CE2-CG 4.22Å; V609-R700 PolarHBondContact O-NH2 3.5Å; S698-R700 VanDerWaalsContact C-N 3.34Å; S698-R700 PolarHBondContact O-N 3.47Å; S698-R700 VanDerWaalsContact O-N 3.08Å; R700-V702 PolarHBondContact O-N 3.22Å; R700-L703 PolarHBondContact O-N 2.66Å; R700-R704 WeakPolarHBondContact O-CB 3.48Å; R700-R704 PolarHBondContact O-N 3.06Å |
| 701 | P | 82.2 | Confident | 83.2 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 42% | 0.416 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 176.4 | -22 | 34.7 | 0 | 0 | 0 | 113.2 | T302 N705 | T302-P701 HydrophobicContact CG2-CG 4.37Å; P701-N705 WeakPolarHBondContact O-CB 3.31Å; P701-N705 VanDerWaalsContact O-CG 3.25Å; P701-N705 PolarHBondContact O-N 3.29Å; P701-N705 PolarHBondContact O-ND2 2.99Å |
| 702 | V | 85.6 | Confident | 83.4 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.5 | -43.9 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | L691 K699 R700 N705 H706 | L691-V702 HydrophobicContact CD2-CG1 4.12Å; K699-V702 HydrophobicContact CB-CB 3.92Å; K699-V702 HydrophobicContact CB-CG2 3.89Å; K699-V702 HydrophobicContact CD-CG2 4.14Å; K699-V702 WeakPolarHBondContact O-CA 3.35Å; K699-V702 WeakPolarHBondContact O-CB 3.41Å; K699-V702 PolarHBondContact O-N 2.99Å; R700-V702 PolarHBondContact O-N 3.22Å; V702-N705 PolarHBondContact O-N 3.41Å; V702-H706 VanDerWaalsContact O-CB 3.26Å; V702-H706 WeakPolarHBondContact O-CB 3.41Å; V702-H706 PolarHBondContact O-N 3.43Å |
| 703 | L | 90.4 | Very high | 84 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 173.9 | -77.8 | 162.9 | 0 | 0 | 0 | 111.8 | F608 F685 L691 K699 R700 N705 H706 F707 | F608-L703 HydrophobicContact CB-CD1 4.28Å; F608-L703 HydrophobicContact CD1-CB 3.95Å; F608-L703 HydrophobicContact CD2-CB 4.27Å; F608-L703 HydrophobicContact CD2-CD1 3.97Å; F608-L703 HydrophobicContact CE1-CB 3.9Å; F608-L703 HydrophobicContact CE2-CB 4.23Å; F608-L703 HydrophobicContact CG-CB 4.13Å; F608-L703 HydrophobicContact CG-CD1 4.07Å; F608-L703 HydrophobicContact CZ-CB 4.04Å; F685-L703 HydrophobicContact CD1-CD2 3.75Å; F685-L703 HydrophobicContact CD2-CD2 4.22Å; F685-L703 HydrophobicContact CE1-CD2 3.77Å; F685-L703 HydrophobicContact CE2-CD2 4.23Å; F685-L703 HydrophobicContact CG-CD2 4Å; F685-L703 HydrophobicContact CZ-CD2 4.01Å; L691-L703 HydrophobicContact CB-CD2 3.99Å; L691-L703 HydrophobicContact CB-CG 4.49Å; L691-L703 HydrophobicContact CD1-CD2 4.14Å; L691-L703 HydrophobicContact CD2-CD2 4.07Å; L691-L703 HydrophobicContact CD2-CG 4.5Å; L691-L703 HydrophobicContact CG-CD2 4.29Å; K699-L703 PolarHBondContact O-N 2.77Å; R700-L703 PolarHBondContact O-N 2.66Å; L703-N705 VanDerWaalsContact C-N 3.31Å; L703-N705 PolarHBondContact O-N 3.38Å; L703-H706 PolarHBondContact O-N 3.17Å; L703-F707 HydrophobicContact CD2-CD2 4.1Å; L703-F707 HydrophobicContact CD2-CE2 3.73Å; L703-F707 WeakPolarHBondContact O-CD2 3.39Å; L703-F707 PolarHBondContact O-N 3.05Å |
| 704 | R | 88.4 | Confident | 85.1 | Confident | 114 Ų | 114 | 60.1 Ų | 60.1 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.2 | -46.2 | 175.1 | -177.8 | -171.8 | 180 | 173.5 | 5.7 | 111.4 | F608 D612 R700 S708 | F608-R704 HydrophobicContact CZ-CB 4.32Å; D612-R704 IonicContact OD2-CZ 3.83Å; D612-R704 IonicContact OD2-NH2 3.24Å; D612-R704 PolarHBondContact OD2-NH2 3.46Å; R700-R704 WeakPolarHBondContact O-CB 3.48Å; R700-R704 PolarHBondContact O-N 3.06Å; R704-S708 VanDerWaalsContact O-CA 3.27Å; R704-S708 WeakPolarHBondContact O-CA 3.33Å; R704-S708 WeakPolarHBondContact O-CB 3.49Å; R704-S708 PolarHBondContact O-N 2.91Å |
| 705 | N | 89.2 | Confident | 86.5 | Confident | 115 Ų | 115 | 59.8 Ų | 59.8 | 62% | 0.615 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69.2 | -44.3 | -179.1 | -71.5 | -14.7 | 0 | 0 | 0 | 111.9 | P701 V702 L703 S708 | P701-N705 WeakPolarHBondContact O-CB 3.31Å; P701-N705 VanDerWaalsContact O-CG 3.25Å; P701-N705 PolarHBondContact O-N 3.29Å; P701-N705 PolarHBondContact O-ND2 2.99Å; V702-N705 PolarHBondContact O-N 3.41Å; L703-N705 VanDerWaalsContact C-N 3.31Å; L703-N705 PolarHBondContact O-N 3.38Å; N705-S708 VanDerWaalsContact O-CB 3.29Å; N705-S708 WeakPolarHBondContact O-CB 3.4Å; N705-S708 PolarHBondContact O-N 3.16Å; N705-S708 PolarHBondContact O-OG 3.28Å |
| 706 | H | 93.1 | Very high | 87.9 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 179.4 | -175 | 92.3 | 0 | 0 | 0 | 111.8 | L691 V702 L703 | L691-H706 HydrophobicContact CD2-CB 3.94Å; V702-H706 VanDerWaalsContact O-CB 3.26Å; V702-H706 WeakPolarHBondContact O-CB 3.41Å; V702-H706 PolarHBondContact O-N 3.43Å; L703-H706 PolarHBondContact O-N 3.17Å |
| 707 | F | 95 | Very high | 88.8 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 16 | 179.3 | -64.7 | -69.6 | 0 | 0 | 0 | 113.9 | V621 Y679 F685 L691 L703 K709 Q710 I711 | V621-F707 HydrophobicContact CB-CD2 4.48Å; V621-F707 HydrophobicContact CG1-CD1 4.24Å; V621-F707 HydrophobicContact CG1-CD2 4.15Å; V621-F707 HydrophobicContact CG1-CE1 4.07Å; V621-F707 HydrophobicContact CG1-CE2 3.98Å; V621-F707 HydrophobicContact CG1-CG 4.29Å; V621-F707 HydrophobicContact CG1-CZ 3.94Å; V621-F707 HydrophobicContact CG2-CB 3.94Å; V621-F707 HydrophobicContact CG2-CD1 4.3Å; V621-F707 HydrophobicContact CG2-CD2 4.07Å; V621-F707 HydrophobicContact CG2-CG 3.85Å; Y679-F707 HydrophobicContact CD1-CD1 4.2Å; Y679-F707 HydrophobicContact CD1-CE1 4.35Å; Y679-F707 HydrophobicContact CE1-CD1 4.06Å; Y679-F707 AromaticContact CE1-CE1 3.95Å; Y679-F707 HydrophobicContact CE1-CE1 3.95Å; F685-F707 HydrophobicContact CD1-CE2 4.24Å; F685-F707 HydrophobicContact CD1-CZ 4.48Å; F685-F707 AromaticContact CE1-CE2 3.55Å; F685-F707 HydrophobicContact CE1-CE2 3.55Å; F685-F707 AromaticContact CE1-CZ 3.81Å; F685-F707 HydrophobicContact CE1-CZ 3.81Å; F685-F707 HydrophobicContact CZ-CE2 4.32Å; L691-F707 HydrophobicContact CD1-CE2 4.26Å; L691-F707 HydrophobicContact CD1-CZ 4.49Å; L703-F707 HydrophobicContact CD2-CD2 4.1Å; L703-F707 HydrophobicContact CD2-CE2 3.73Å; L703-F707 WeakPolarHBondContact O-CD2 3.39Å; L703-F707 PolarHBondContact O-N 3.05Å; F707-K709 VanDerWaalsContact C-N 3.29Å; F707-K709 PolarHBondContact O-N 3.39Å; F707-Q710 PolarHBondContact O-N 3.06Å; F707-Q710 VanDerWaalsContact O-N 3.08Å; F707-Q710 PolarHBondContact O-OE1 3.38Å; F707-I711 HydrophobicContact CB-CD1 4.15Å; F707-I711 HydrophobicContact CB-CG1 4.35Å; F707-I711 WeakPolarHBondContact O-CB 3.42Å; F707-I711 VanDerWaalsContact O-CG1 3.31Å; F707-I711 WeakPolarHBondContact O-CG1 3.4Å; F707-I711 PolarHBondContact O-N 3.13Å |
| 708 | S | 92.6 | Very high | 89.5 | Confident | 56 Ų | 56 | 63 Ų | 63 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.8 | -40.2 | -173.3 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | R704 N705 S712 | R704-S708 VanDerWaalsContact O-CA 3.27Å; R704-S708 WeakPolarHBondContact O-CA 3.33Å; R704-S708 WeakPolarHBondContact O-CB 3.49Å; R704-S708 PolarHBondContact O-N 2.91Å; N705-S708 VanDerWaalsContact O-CB 3.29Å; N705-S708 WeakPolarHBondContact O-CB 3.4Å; N705-S708 PolarHBondContact O-N 3.16Å; N705-S708 PolarHBondContact O-OG 3.28Å; S708-S712 WeakPolarHBondContact O-CB 3.18Å; S708-S712 PolarHBondContact O-N 3.42Å; S708-S712 PolarHBondContact O-OG 3.23Å |
| 709 | K | 94.3 | Very high | 88.7 | Confident | 171 Ų | 171 | 68 Ų | 68 | 74% | 0.743 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 177.4 | -66.7 | -178 | -178.6 | 177.5 | 0 | 111.8 | F707 S712 K713 | F707-K709 VanDerWaalsContact C-N 3.29Å; F707-K709 PolarHBondContact O-N 3.39Å; K709-S712 PolarHBondContact O-N 3.19Å; K709-K713 WeakPolarHBondContact O-CB 3.49Å; K709-K713 PolarHBondContact O-N 3.37Å |
| 710 | Q | 94.6 | Very high | 89.2 | Confident | 52 Ų | 52 | 69.8 Ų | 69.8 | 24% | 0.243 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 179.5 | -65.9 | 77.1 | 2.8 | 0 | 0 | 110.8 | Y679 F707 K713 M714 | Y679-Q710 HydrophobicContact CD1-CB 4.22Å; Y679-Q710 HydrophobicContact CD1-CG 4Å; Y679-Q710 HydrophobicContact CD2-CB 3.95Å; Y679-Q710 HydrophobicContact CD2-CG 3.66Å; Y679-Q710 HydrophobicContact CE1-CG 3.86Å; Y679-Q710 HydrophobicContact CE2-CB 4.31Å; Y679-Q710 HydrophobicContact CE2-CG 3.5Å; Y679-Q710 VanDerWaalsContact CE2-CG 3.5Å; Y679-Q710 HydrophobicContact CG-CB 3.9Å; Y679-Q710 HydrophobicContact CG-CG 3.91Å; F707-Q710 PolarHBondContact O-N 3.06Å; F707-Q710 VanDerWaalsContact O-N 3.08Å; F707-Q710 PolarHBondContact O-OE1 3.38Å; Q710-K713 PolarHBondContact O-N 2.93Å; Q710-M714 WeakPolarHBondContact O-CG 3.27Å; Q710-M714 PolarHBondContact O-N 3.19Å |
| 711 | I | 94.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175 | -70.1 | 167.1 | 0 | 0 | 0 | 110.8 | F608 H610 V619 F707 K713 M714 Y715 | F608-I711 HydrophobicContact CE1-CD1 4.21Å; H610-I711 HydrophobicContact CB-CD1 4.41Å; H610-I711 VanDerWaalsContact CD2-CG2 3.47Å; H610-I711 WeakPolarHBondContact CD2-CG2 3.36Å; V619-I711 HydrophobicContact CG2-CG2 4.26Å; F707-I711 HydrophobicContact CB-CD1 4.15Å; F707-I711 HydrophobicContact CB-CG1 4.35Å; F707-I711 WeakPolarHBondContact O-CB 3.42Å; F707-I711 VanDerWaalsContact O-CG1 3.31Å; F707-I711 WeakPolarHBondContact O-CG1 3.4Å; F707-I711 PolarHBondContact O-N 3.13Å; I711-K713 VanDerWaalsContact C-N 3.34Å; I711-K713 PolarHBondContact O-N 3.47Å; I711-M714 HydrophobicContact CG1-CE 4.1Å; I711-M714 PolarHBondContact O-N 2.74Å; I711-Y715 HydrophobicContact CG2-CD2 3.81Å; I711-Y715 HydrophobicContact CG2-CE2 3.69Å; I711-Y715 WeakPolarHBondContact O-CD2 3.43Å; I711-Y715 PolarHBondContact O-N 2.76Å |
| 712 | S | 91.8 | Very high | 89.7 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | S708 K709 M714 Y715 E716 | S708-S712 WeakPolarHBondContact O-CB 3.18Å; S708-S712 PolarHBondContact O-N 3.42Å; S708-S712 PolarHBondContact O-OG 3.23Å; K709-S712 PolarHBondContact O-N 3.19Å; S712-M714 PolarHBondContact O-N 2.99Å; S712-Y715 PolarHBondContact O-N 3.04Å; S712-Y715 VanDerWaalsContact O-N 3.12Å; S712-E716 WeakPolarHBondContact O-CG 3.24Å; S712-E716 PolarHBondContact O-N 2.9Å |
| 713 | K | 93.3 | Very high | 90 | Very high | 151 Ų | 151 | 74.2 Ų | 74.2 | 66% | 0.657 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 177.3 | -171.2 | 178 | 179.3 | -177.2 | 0 | 113.2 | K709 Q710 I711 Y715 E716 S717 | K709-K713 WeakPolarHBondContact O-CB 3.49Å; K709-K713 PolarHBondContact O-N 3.37Å; Q710-K713 PolarHBondContact O-N 2.93Å; I711-K713 VanDerWaalsContact C-N 3.34Å; I711-K713 PolarHBondContact O-N 3.47Å; K713-Y715 VanDerWaalsContact C-N 3.31Å; K713-E716 PolarHBondContact O-N 3.48Å; K713-S717 PolarHBondContact O-N 3.45Å; K713-S717 PolarHBondContact O-OG 3.01Å |
| 714 | M | 94.5 | Very high | 89.9 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 3% | 0.025 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 174.3 | -71.9 | -173.3 | -69.9 | 0 | 0 | 111.8 | V619 D677 Y679 Q710 I711 S712 S717 L718 | V619-M714 HydrophobicContact CB-CB 4.26Å; V619-M714 HydrophobicContact CB-CE 3.83Å; V619-M714 HydrophobicContact CB-SD 4.04Å; V619-M714 HydrophobicContact CG1-CB 3.86Å; V619-M714 HydrophobicContact CG2-CE 3.86Å; D677-M714 HydrophobicContact CB-CB 4.25Å; D677-M714 HydrophobicContact CB-CG 4.33Å; D677-M714 HydrophobicContact CB-SD 4.43Å; Y679-M714 PolarHBondContact N-SD 2.83Å; Q710-M714 WeakPolarHBondContact O-CG 3.27Å; Q710-M714 PolarHBondContact O-N 3.19Å; I711-M714 HydrophobicContact CG1-CE 4.1Å; I711-M714 PolarHBondContact O-N 2.74Å; S712-M714 PolarHBondContact O-N 2.99Å; M714-S717 WeakPolarHBondContact CA-OG 3.46Å; M714-S717 PolarHBondContact O-OG 3.4Å; M714-L718 WeakPolarHBondContact O-CD1 3.25Å; M714-L718 WeakPolarHBondContact O-CG 3.49Å; M714-L718 PolarHBondContact O-N 3.42Å |
| 715 | Y | 90.9 | Very high | 90 | Very high | 11 Ų | 11 | 76.5 Ų | 76.5 | 4% | 0.043 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -73.9 | -32.2 | 175.1 | -79.6 | -53.5 | 0 | 0 | 0 | 113.4 | H610 G611 K615 C617 V619 I711 S712 K713 L718 S719 | H610-Y715 AromaticContact CD2-CE2 4Å; H610-Y715 PolarHBondContact O-OH 2.97Å; G611-Y715 WeakPolarHBondContact CA-OH 3.24Å; K615-Y715 HydrophobicContact CB-CD1 4.14Å; K615-Y715 HydrophobicContact CB-CE1 3.57Å; K615-Y715 HydrophobicContact CD-CD1 3.62Å; K615-Y715 HydrophobicContact CD-CD2 4.19Å; K615-Y715 HydrophobicContact CD-CE1 3.95Å; K615-Y715 HydrophobicContact CD-CE2 4.46Å; K615-Y715 HydrophobicContact CD-CG 3.77Å; K615-Y715 HydrophobicContact CG-CD1 3.81Å; K615-Y715 HydrophobicContact CG-CD2 4.09Å; K615-Y715 HydrophobicContact CG-CE1 3.59Å; K615-Y715 HydrophobicContact CG-CE2 3.86Å; K615-Y715 HydrophobicContact CG-CG 4.07Å; C617-Y715 WeakPolarHBondContact O-CE1 3.42Å; C617-Y715 PolarHBondContact O-OH 2.63Å; C617-Y715 VanDerWaalsContact O-OH 3.13Å; V619-Y715 HydrophobicContact CG1-CD1 4.07Å; V619-Y715 HydrophobicContact CG1-CE1 3.75Å; V619-Y715 HydrophobicContact CG2-CE1 4.41Å; V619-Y715 HydrophobicContact CG2-CE2 3.86Å; I711-Y715 HydrophobicContact CG2-CD2 3.81Å; I711-Y715 HydrophobicContact CG2-CE2 3.69Å; I711-Y715 WeakPolarHBondContact O-CD2 3.43Å; I711-Y715 PolarHBondContact O-N 2.76Å; S712-Y715 PolarHBondContact O-N 3.04Å; S712-Y715 VanDerWaalsContact O-N 3.12Å; K713-Y715 VanDerWaalsContact C-N 3.31Å; Y715-L718 PolarHBondContact O-N 3.23Å; Y715-S719 PolarHBondContact O-N 3.31Å; Y715-S719 VanDerWaalsContact O-N 3.1Å; Y715-S719 PolarHBondContact O-OG 3.19Å |
| 716 | E | 90.2 | Very high | 90.1 | Very high | 134 Ų | 134 | 73.7 Ų | 73.7 | 63% | 0.626 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -68.6 | -34.1 | 174 | -73.5 | 168.9 | -168.9 | 0 | 0 | 112.4 | S712 K713 L718 S719 | S712-E716 WeakPolarHBondContact O-CG 3.24Å; S712-E716 PolarHBondContact O-N 2.9Å; K713-E716 PolarHBondContact O-N 3.48Å; E716-L718 VanDerWaalsContact C-N 3.28Å; E716-S719 WeakPolarHBondContact CA-OG 3.41Å; E716-S719 PolarHBondContact O-OG 3.22Å; E716-S719 VanDerWaalsContact O-OG 3.07Å |
| 717 | S | 86.8 | Confident | 89.9 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.7 | -21.5 | 175 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | D677 K713 M714 | D677-S717 PolarHBondContact OD2-OG 2.68Å; D677-S717 VanDerWaalsContact OD2-OG 3.11Å; K713-S717 PolarHBondContact O-N 3.45Å; K713-S717 PolarHBondContact O-OG 3.01Å; M714-S717 WeakPolarHBondContact CA-OG 3.46Å; M714-S717 PolarHBondContact O-OG 3.4Å |
| 718 | L | 85.8 | Confident | 89.4 | Confident | 71 Ų | 71 | 78 Ų | 78 | 37% | 0.372 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -95.6 | -19 | -178.9 | -70.5 | 172.7 | 0 | 0 | 0 | 113.8 | V619 K676 D677 M714 Y715 E716 | V619-L718 HydrophobicContact CG1-CD1 3.8Å; K676-L718 HydrophobicContact CB-CD1 3.85Å; K676-L718 HydrophobicContact CB-CD2 3.88Å; D677-L718 HydrophobicContact CB-CD1 3.83Å; D677-L718 HydrophobicContact CB-CD2 4.28Å; D677-L718 HydrophobicContact CB-CG 4.15Å; M714-L718 WeakPolarHBondContact O-CD1 3.25Å; M714-L718 WeakPolarHBondContact O-CG 3.49Å; M714-L718 PolarHBondContact O-N 3.42Å; Y715-L718 PolarHBondContact O-N 3.23Å; E716-L718 VanDerWaalsContact C-N 3.28Å |
| 719 | S | 64.6 | Low | 89.2 | Confident | 138 Ų | 138 | 80 Ų | 80 | 97% | 0.965 | 43% | 0.426 | S | S | * | . | trans | -85.2 | 0 | 173 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | Y715 E716 | Y715-S719 PolarHBondContact O-N 3.31Å; Y715-S719 VanDerWaalsContact O-N 3.1Å; Y715-S719 PolarHBondContact O-OG 3.19Å; E716-S719 WeakPolarHBondContact CA-OG 3.41Å; E716-S719 PolarHBondContact O-OG 3.22Å; E716-S719 VanDerWaalsContact O-OG 3.07Å |
Retrieved 719 of 719 residues in 269.1 ms
(Link to these results)